0 B9R0.13 C#CCNC(CO)C(=O)O 269956a_100000187304_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.13 C#CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000038162 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.13 C#CCN[C@@H](CO)C(=O)N 34a_100000729942_100000184674 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.13 C=CCNC(CO)C(=O)O 269956a_100000187304_100000210623 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.13 C=CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210623 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.13 C=CCN[C@@H](CO)C(=O)N 34a_100000729942_100015514636 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.13 CC(C)C(CO)CNCF 34a_100000692819_100015361967 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.13 CC(C)[C@H](CO)NCCF 2230a_100011830312_100011217306 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.13 CC(C)[C@H](CO)NCCF 34a_100011830312_100011217306 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.13 CC(C)[C@H](CO)NCCO 2230a_100011830312_100000211926 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.13 CC(C)[C@H](CO)NCCO 34a_100011830312_100000211926 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.13 CCC(NCCF)C(=O)N 2230a_100000733705_100011217306 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.13 CCC(NCCF)C(=O)N 34a_100000724931_100000750255 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.13 CCC(NCCF)C(=O)N 34a_100000733705_100011217306 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.13 CCC(NCCO)C(=O)N 2230a_100000733705_100000211926 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.13 CCC(NCCO)C(=O)N 2230a_100016997473_100000750255 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.13 CCC(NCCO)C(=O)N 34a_100000733705_100000211926 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.13 CCC(NCCO)C(=O)N 34a_100016990907_100000750255 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.13 CCC(NCOC)C(=O)N 2230a_100000733705_100000766300 [0,0,0,0,0,0|4,0,0]=4 20 B9R0.13 CCC(NCSC)C(=O)N 2230a_100000733705_100011218213 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.13 CCC(NCSC)C(=O)N 34a_100000733705_100011218213 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.13 CCC(OCCBr)C(=O)N 34a_100000211926_100000750255 [0,0,0,0,0,0|4,0,0]=4 23 B9R0.13 CCC(OCCN)C(=O)N 34a_100000210304_100000750255 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.13 CCC(SCCF)C(=O)N 62a_100000750255_100011217306 [0,0,0,0,0,0|4,0,0]=4 25 B9R0.13 CCC(SCCF)C(=O)N 62a_100011217306_100000750255 [0,0,0,0,0,0|4,0,0]=4 26 B9R0.13 CCC(SCCO)C(=O)N 62a_100000211926_100000750255 [0,0,0,0,0,0|4,0,0]=4 27 B9R0.13 CCC(SCCO)C(=O)N 62a_100000750255_100000211926 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.13 CCC(SCOC)C(=O)N 62a_100000750255_100000766300 [0,0,0,0,0,0|4,0,0]=4 29 B9R0.13 CCC(SCOC)C(=O)N 62a_100000766300_100000750255 [0,0,0,0,0,0|4,0,0]=4 30 B9R0.13 CCC(SCSC)C(=O)N 62a_100000750255_100011218213 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.13 CCC(SCSC)C(=O)N 62a_100011218213_100000750255 [0,0,0,0,0,0|4,0,0]=4 32 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,0,0,0,0,0|1,0,0]=1 33 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,0,0,0,0,0|1,0,0]=1 34 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,0,0,0,0,0|1,0,0]=1 35 B9R0.13 CCCCC(CC)N(C)C 269982a_100102631434_200011216223 [0,0,0,0,0,0|3,0,0]=3 36 B9R0.13 CCCCC(CC)N(C)C 270004a_100102631434_100000753412 [0,0,0,0,0,0|3,0,0]=3 37 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,0,0,0,0,0|3,0,0]=3 38 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,0,0,0,0,0|3,0,0]=3 39 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,0,0,0,0,0|3,0,0]=3 40 B9R0.13 CCCCC(NC)C(C)C 270004a_106832991635_200011215219 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,0,0,0,0,0|3,0,0]=3 42 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,0,0,0,0,0|3,0,0]=3 44 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,0,0,0,0,0|3,0,0]=3 45 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,0,0,0,0,0|3,0,0]=3 46 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [0,0,0,0,0,0|2,0,0]=2 47 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [0,0,0,0,0,0|2,0,0]=2 48 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [0,0,0,0,0,0|2,0,0]=2 49 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [0,0,0,0,0,0|2,0,0]=2 50 B9R0.13 CCCCN(CC)C(C)C 2230a_100000207398_100000210202 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.13 CCCCN(CC)C(C)C 2230a_100000207695_100000210206 [0,0,0,0,0,0|3,0,1]=4 52 B9R0.13 CCCCN(CC)C(C)C 2230a_100000223864_100000210211 [0,0,0,0,0,0|3,0,1]=4 53 B9R0.13 CCCCN(CC)C(C)C 269982a_100000207398_100000204670 [0,0,0,0,0,0|3,0,1]=4 54 B9R0.13 CCCCN(CC)C(C)C 269982a_100000207695_100000210206 [0,0,0,0,0,0|3,0,1]=4 55 B9R0.13 CCCCN(CC)C(C)C 269982a_100000223864_100000210211 [0,0,0,0,0,0|3,0,1]=4 56 B9R0.13 CCCCN(CF)C(C)C 269982a_100000207398_100015361967 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,0,0,0,0,0|3,0,0]=3 58 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,0,0,0,0,0|3,0,0]=3 59 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,0,0,0,0,0|3,0,0]=3 60 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,0,0,0,0,0|3,0,0]=3 61 B9R0.13 CCCNC(C#N)C(=O)N 2230a_100000039599_100000210303 [0,0,0,0,0,0|3,0,1]=4 62 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [0,0,0,0,0,0|3,0,0]=3 63 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [0,0,0,0,0,0|3,0,0]=3 64 B9R0.13 CCCNC(CC)C(C)C 270004a_100020643023_100000210600 [0,0,0,0,0,0|3,0,1]=4 65 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,0,0,0,0,0|2,0,0]=2 66 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210303 [0,0,0,0,0,0|2,0,2]=4 67 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210303 [0,0,0,0,0,0|2,0,2]=4 68 B9R0.13 CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210303 [0,0,0,0,0,0|2,0,0]=2 69 B9R0.13 CCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210303 [0,0,0,0,0,0|2,0,0]=2 70 B9R0.13 CCCN[C@@H](CO)C(C)C 2230a_100011830312_100000210303 [0,0,0,0,0,0|2,0,1]=3 71 B9R0.13 CCCN[C@@H](CO)C(C)C 34a_100011830312_100000210303 [0,0,0,0,0,0|2,0,1]=3 72 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,0,0,0,0,0|3,0,0]=3 73 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210303 [0,0,0,0,0,0|1,0,2]=3 74 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210303 [0,0,0,0,0,0|1,0,2]=3 75 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [0,0,0,0,0,0|3,0,0]=3 76 B9R0.13 CCCOC(CC)C(C)C 34a_100011218073_100000210303 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.13 CCCOC(CC)C(C)C 7a_100011218073_100000210303 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.13 CCCOC(CN)C(C)C 34a_100000759067_100000210303 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [0,0,0,0,0,0|3,0,0]=3 80 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [0,0,0,0,0,0|3,0,0]=3 81 B9R0.13 CCN(CCC#N)C(=O)C 11a_100000226048_100015343762 [0,0,0,0,0,0|3,0,1]=4 82 B9R0.13 CCN(CCC#N)C(=O)C 1626a_100000226048_100015343762 [0,0,0,0,0,0|3,0,1]=4 83 B9R0.13 CCN(CCC#N)C(=O)C 240690a_100000226048_100015343762 [0,0,0,0,0,0|3,0,1]=4 84 B9R0.13 CCN(CCC#N)C(=O)C 527a_100000226048_100103153847 [0,0,0,0,0,0|3,0,1]=4 85 B9R0.13 CCN(CCOC)C(=O)C 11a_100000731262_100015343762 [0,0,0,0,0,0|3,0,0]=3 86 B9R0.13 CCN(CCOC)C(=O)C 1626a_100000731262_100015343762 [0,0,0,0,0,0|3,0,0]=3 87 B9R0.13 CCN(CCOC)C(=O)C 240690a_100000731262_100015343762 [0,0,0,0,0,0|3,0,0]=3 88 B9R0.13 CCN(CCOC)C(=O)C 527a_100000731262_100103153847 [0,0,0,0,0,0|3,0,0]=3 89 B9R0.13 CCNCC(CC)C(C)C 269862a_100015525214_100011214906 [0,0,0,0,0,0|3,0,1]=4 90 B9R0.13 CCNCC(CO)C(C)C 34a_100000692819_100000210202 [0,0,0,0,0,0|2,0,1]=3 91 B9R0.13 CCOCC(CC)C(C)C 34a_100011995916_100000210202 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.13 CCOCC(CC)C(C)C 7a_100011995916_100000210202 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.13 CCOCC(CN)C(C)C 34a_100000692819_100000210202 [0,0,0,0,0,0|3,0,1]=4 94 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [0,0,0,0,0,0|4,0,0]=4 95 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [0,0,0,0,0,0|4,0,0]=4 96 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [0,0,0,0,0,0|4,0,0]=4 97 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [0,0,0,0,0,0|4,0,0]=4 98 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [0,0,0,0,0,0|4,0,0]=4 99 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [0,0,0,0,0,0|4,0,0]=4 100 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,0,0,0,0,0|4,0,0]=4 101 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [0,0,0,0,0,0|4,0,0]=4 102 B9R0.13 COCNC(CO)C(=O)O 269956a_100000187304_100000766300 [0,0,0,0,0,0|3,0,0]=3 103 B9R0.13 COCN[C@@H](CO)C(=O)N 2230a_100000729942_100000766300 [0,0,0,0,0,0|3,0,0]=3 104 B9R0.13 COCN[C@@H](CO)C(C)C 2230a_100011830312_100000766300 [0,0,0,0,0,0|3,0,1]=4 105 B9R0.13 COCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000766300 [0,0,0,0,0,0|2,0,2]=4 106 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [0,0,0,0,0,0|4,0,0]=4 107 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [0,0,0,0,0,0|4,0,0]=4 108 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,0,0,0,0,0|4,0,0]=4 109 B9R0.13 CSCNC(CO)C(=O)O 269956a_100000187304_100011218213 [0,0,0,0,0,0|3,0,0]=3 110 B9R0.13 CSCN[C@@H](CO)C(=O)N 2230a_100000729942_100011218213 [0,0,0,0,0,0|3,0,0]=3 111 B9R0.13 CSCN[C@@H](CO)C(=O)N 34a_100000729942_100011218213 [0,0,0,0,0,0|3,0,0]=3 112 B9R0.13 CSCN[C@@H](CO)C(C)C 2230a_100011830312_100011218213 [0,0,0,0,0,0|3,0,1]=4 113 B9R0.13 CSCN[C@@H](CO)C(C)C 34a_100011830312_100011218213 [0,0,0,0,0,0|3,0,1]=4 114 B9R0.13 CSCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011218213 [0,0,0,0,0,0|2,0,2]=4 115 B9R0.13 CSCN[C@H](CO)[C@@H](C)O 34a_100015196842_100011218213 [0,0,0,0,0,0|2,0,2]=4 116 B9R0.13 C[C@@H](O)[C@@H](CO)NCCF 2230a_100015196842_100011217306 [0,0,0,0,0,0|2,0,2]=4 117 B9R0.13 C[C@@H](O)[C@@H](CO)NCCF 34a_100015196842_100011217306 [0,0,0,0,0,0|2,0,2]=4 118 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO 2230a_100015196842_100000211926 [0,0,0,0,0,0|2,0,2]=4 119 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO 34a_100015196842_100000211926 [0,0,0,0,0,0|2,0,2]=4 120 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [0,0,0,0,0,0|4,0,0]=4 121 B9R0.13 N#CCNC(CO)C(=O)O 269956a_100000187304_100011215382 [0,0,0,0,0,0|3,0,1]=4 122 B9R0.13 N#CCN[C@@H](CO)C(=O)N 2230a_100000729942_100011215382 [0,0,0,0,0,0|3,0,1]=4 123 B9R0.13 NC(=O)[C@H](CO)NCC=O 2230a_100000729942_200015260668 [0,0,0,0,0,0|3,0,1]=4 124 B9R0.13 NC(=O)[C@H](CO)NCC=O 34a_100000729942_200009817547 [0,0,0,0,0,0|3,0,1]=4 125 B9R0.13 NC(=O)[C@H](CO)NCCF 2230a_100000729942_100011217306 [0,0,0,0,0,0|3,0,0]=3 126 B9R0.13 NC(=O)[C@H](CO)NCCF 34a_100000729942_100011217306 [0,0,0,0,0,0|3,0,0]=3 127 B9R0.13 NC(=O)[C@H](CO)NCCO 2230a_100000729942_100000211926 [0,0,0,0,0,0|3,0,0]=3 128 B9R0.13 NC(=O)[C@H](CO)NCCO 34a_100000729942_100000211926 [0,0,0,0,0,0|3,0,0]=3 129 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [0,0,0,0,0,0|3,0,0]=3 130 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [0,0,0,0,0,0|3,0,0]=3 131 B9R0.13 O=CCNC(CO)C(=O)O 269956a_100000187304_200015260668 [0,0,0,0,0,0|3,0,1]=4 132 B8R0.8 C#CCOC(C)C(=O)C 34a_100000212229_100000184674 [1,0,0,0,0,0|1,0,2]=4 133 B8R0.8 C#CCSC(C)C(=O)C 62a_100000038162_100009814033 [1,0,0,0,0,0|1,0,2]=4 134 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,0,0,0,0,0|1,0,2]=4 135 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [1,0,0,0,0,0|2,0,0]=3 136 B8R0.8 C=C(C)C(C)NCCF 269862a_100000724931_100011216138 [1,0,0,0,0,0|3,0,0]=4 137 B8R0.8 C=C(C)C(C)NCCO 269862a_100000210304_100011216138 [1,0,0,0,0,0|3,0,0]=4 138 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [1,0,0,0,0,0|1,0,2]=4 139 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [1,0,0,0,0,0|1,0,2]=4 140 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [1,0,0,0,0,0|1,0,2]=4 141 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [1,0,0,0,0,0|1,0,2]=4 142 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [1,0,0,0,0,0|1,0,2]=4 143 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [1,0,0,0,0,0|1,0,2]=4 144 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [1,0,0,0,0,0|1,0,2]=4 145 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [1,0,0,0,0,0|1,0,2]=4 146 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [1,0,0,0,0,0|1,0,2]=4 147 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [1,0,0,0,0,0|1,0,2]=4 148 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [1,0,0,0,0,0|2,0,0]=3 149 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [1,0,0,0,0,0|2,0,0]=3 150 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [1,0,0,0,0,0|2,0,0]=3 151 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [1,0,0,0,0,0|2,0,1]=4 152 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [1,0,0,0,0,0|2,0,0]=3 153 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [1,0,0,0,0,0|2,0,0]=3 154 B8R0.8 CC(=O)C(C)SCC#N 62a_100009814033_100011215382 [1,0,0,0,0,0|2,0,1]=4 155 B8R0.8 CC(=O)C(C)SCC#N 62a_100011215382_100009814033 [1,0,0,0,0,0|2,0,1]=4 156 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [1,0,0,0,0,0|2,0,1]=4 157 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [1,0,0,0,0,0|2,0,1]=4 158 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [1,0,0,0,0,0|2,0,0]=3 159 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [1,0,0,0,0,0|2,0,0]=3 160 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [1,0,0,0,0,0|2,0,0]=3 161 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [1,0,0,0,0,0|2,0,0]=3 162 B8R0.8 CC(=O)N(C)CCC#N 11a_100000184479_100015343762 [1,0,0,0,0,0|2,0,1]=4 163 B8R0.8 CC(=O)N(C)CCC#N 1626a_100000184479_100015343762 [1,0,0,0,0,0|2,0,1]=4 164 B8R0.8 CC(=O)N(C)CCC#N 240690a_100000184479_100015343762 [1,0,0,0,0,0|2,0,1]=4 165 B8R0.8 CC(=O)N(C)CCC#N 527a_100000184479_100103153847 [1,0,0,0,0,0|2,0,1]=4 166 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [1,0,0,0,0,0|2,0,0]=3 167 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [1,0,0,0,0,0|2,0,0]=3 168 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [1,0,0,0,0,0|3,0,0]=4 169 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [1,0,0,0,0,0|3,0,0]=4 170 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [1,0,0,0,0,0|3,0,0]=4 171 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [1,0,0,0,0,0|3,0,0]=4 172 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [1,0,0,0,0,0|3,0,0]=4 173 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [1,0,0,0,0,0|3,0,0]=4 174 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [1,0,0,0,0,0|3,0,0]=4 175 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [1,0,0,0,0,0|3,0,0]=4 176 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [1,0,0,0,0,0|3,0,0]=4 177 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [1,0,0,0,0,0|3,0,0]=4 178 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,0,0,0,0,0|0,0,2]=3 179 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,0,0,0,0,0|0,0,2]=3 180 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,0,0,0,0,0|0,0,0]=1 181 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,0,0,0,0,0|0,0,0]=1 182 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,0,0,0,0,0|0,0,0]=1 183 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [1,0,0,0,0,0|2,0,0]=3 184 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [1,0,0,0,0,0|2,0,0]=3 185 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [1,0,0,0,0,0|2,0,0]=3 186 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,0,0,0,0,0|0,0,0]=1 187 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,0,0,0,0,0|0,0,0]=1 188 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,0,0,0,0,0|1,0,0]=2 189 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,0,0,0,0,0|1,0,0]=2 190 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,0,0,0,0,0|1,0,0]=2 191 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,0,0,0,0,0|1,0,0]=2 192 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [1,0,0,0,0,0|2,0,1]=4 193 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [1,0,0,0,0,0|2,0,1]=4 194 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [1,0,0,0,0,0|2,0,1]=4 195 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [1,0,0,0,0,0|2,0,1]=4 196 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [1,0,0,0,0,0|2,0,1]=4 197 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [1,0,0,0,0,0|2,0,1]=4 198 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [1,0,0,0,0,0|2,0,1]=4 199 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,0,0,0,0,0|1,0,2]=4 200 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,0,0,0,0,0|1,0,2]=4 201 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [1,0,0,0,0,0|2,0,1]=4 202 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,0,0,0,0,0|2,0,0]=3 203 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [1,0,0,0,0,0|2,0,0]=3 204 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [1,0,0,0,0,0|2,0,0]=3 205 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,0,0,0,0,0|1,0,0]=2 206 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [1,0,0,0,0,0|2,0,0]=3 207 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [1,0,0,0,0,0|2,0,1]=4 208 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [1,0,0,0,0,0|3,0,0]=4 209 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [1,0,0,0,0,0|3,0,0]=4 210 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [1,0,0,0,0,0|2,0,0]=3 211 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [1,0,0,0,0,0|2,0,0]=3 212 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [1,0,0,0,0,0|2,0,0]=3 213 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,0,0,0,0,0|1,0,0]=2 214 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,0,0,0,0,0|1,0,0]=2 215 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [1,0,0,0,0,0|2,0,0]=3 216 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [1,0,0,0,0,0|2,0,0]=3 217 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [1,0,0,0,0,0|3,0,0]=4 218 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [1,0,0,0,0,0|3,0,0]=4 219 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [1,0,0,0,0,0|3,0,0]=4 220 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [1,0,0,0,0,0|3,0,0]=4 221 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,0,0,0,0,0|2,0,0]=3 222 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,0,0,0,0,0|3,0,0]=4 223 B8R0.8 CCNCC(O)C(C)C 2230a_100000759067_100000210202 [1,0,0,0,0,0|2,0,1]=4 224 B8R0.8 CCNCC(O)C(C)C 34a_100000759067_100000210202 [1,0,0,0,0,0|2,0,1]=4 225 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [1,0,0,0,0,0|1,0,2]=4 226 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,0,0,0,0,0|1,0,0]=2 227 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,0,0,0,0,0|1,0,0]=2 228 B8R0.8 CCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210202 [1,0,0,0,0,0|3,0,0]=4 229 B8R0.8 CCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210202 [1,0,0,0,0,0|3,0,0]=4 230 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [1,0,0,0,0,0|3,0,0]=4 231 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,0,0,0,0,0|1,0,2]=4 232 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,0,0,0,0,0|1,0,2]=4 233 B8R0.8 CCSCC(C)N(C)C 270004a_100102631434_200011216171 [1,0,0,0,0,0|3,0,0]=4 234 B8R0.8 COCCC(C)N(C)C 270004a_100102631434_100000742357 [1,0,0,0,0,0|3,0,0]=4 235 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [1,0,0,0,0,0|2,0,0]=3 236 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [1,0,0,0,0,0|2,0,0]=3 237 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [1,0,0,0,0,0|2,0,0]=3 238 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [1,0,0,0,0,0|2,0,0]=3 239 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,0,0,0,0,0|3,0,0]=4 240 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [1,0,0,0,0,0|3,0,0]=4 241 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [1,0,0,0,0,0|2,0,0]=3 242 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [1,0,0,0,0,0|2,0,0]=3 243 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [1,0,0,0,0,0|3,0,0]=4 244 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [1,0,0,0,0,0|3,0,0]=4 245 B8R0.8 CSCCC(C)N(C)C 270004a_100102631434_100011217047 [1,0,0,0,0,0|3,0,0]=4 246 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,0,0,0,0,0|1,0,0]=2 247 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,0,0,0,0,0|1,0,0]=2 248 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [1,0,0,0,0,0|2,0,0]=3 249 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [1,0,0,0,0,0|2,0,0]=3 250 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [1,0,0,0,0,0|2,0,0]=3 251 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [1,0,0,0,0,0|2,0,0]=3 252 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,0,0,0,0,0|3,0,0]=4 253 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [1,0,0,0,0,0|3,0,0]=4 254 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [1,0,0,0,0,0|3,0,0]=4 255 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [1,0,0,0,0,0|2,0,0]=3 256 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [1,0,0,0,0,0|3,0,0]=4 257 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [1,0,0,0,0,0|2,0,0]=3 258 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [1,0,0,0,0,0|2,0,0]=3 259 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [1,0,0,0,0,0|3,0,0]=4 260 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [1,0,0,0,0,0|3,0,0]=4 261 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [1,0,0,0,0,0|3,0,0]=4 262 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [1,0,0,0,0,0|3,0,0]=4 263 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [1,0,0,0,0,0|3,0,0]=4 264 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [1,0,0,0,0,0|3,0,0]=4 265 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [1,0,0,0,0,0|3,0,0]=4 266 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [1,0,0,0,0,0|3,0,0]=4 267 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [1,0,0,0,0,0|3,0,0]=4 268 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [1,0,0,0,0,0|3,0,0]=4 269 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,0,0,0,0,0|3,0,0]=4 270 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,0,0,0,0,0|3,0,0]=4 271 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [1,0,0,0,0,0|3,0,0]=4 272 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [1,0,0,0,0,0|3,0,0]=4 273 B8R0.11 C#CC(CCCC)OC 34a_200011217967_200000210301 [1,0,0,0,0,0|2,0,1]=4 274 B8R0.11 C#CC(CCCC)OC 7a_200011217967_200000210301 [1,0,0,0,0,0|2,0,1]=4 275 B8R0.11 C#CC(CCCC)O[13CH3] 34a_200011217967_200025704644 [1,0,0,0,0,0|2,0,1]=4 276 B8R0.11 C#CC(CCCC)O[13CH3] 7a_200011217967_200025704644 [1,0,0,0,0,0|2,0,1]=4 277 B8R0.11 C=CC(CC)OCCC 34a_100000766422_100000210303 [1,0,0,0,0,0|2,0,1]=4 278 B8R0.11 C=CC(CC)OCCC 7a_100000766422_100000210303 [1,0,0,0,0,0|2,0,1]=4 279 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [1,0,0,0,0,0|2,0,1]=4 280 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [1,0,0,0,0,0|2,0,1]=4 281 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [1,0,0,0,0,0|2,0,1]=4 282 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [1,0,0,0,0,0|2,0,1]=4 283 B8R0.11 C=C[C@@H](CO)NCCC 2230a_100016989147_100000210303 [1,0,0,0,0,0|1,0,1]=3 284 B8R0.11 C=C[C@@H](CO)NCCC 34a_100016989147_100000210303 [1,0,0,0,0,0|1,0,1]=3 285 B8R0.11 C=C[C@@H](CO)NCCF 2230a_100016989147_100011217306 [1,0,0,0,0,0|2,0,1]=4 286 B8R0.11 C=C[C@@H](CO)NCCF 34a_100016989147_100011217306 [1,0,0,0,0,0|2,0,1]=4 287 B8R0.11 C=C[C@@H](CO)NCCO 2230a_100016989147_100000211926 [1,0,0,0,0,0|2,0,1]=4 288 B8R0.11 C=C[C@@H](CO)NCCO 34a_100016989147_100000211926 [1,0,0,0,0,0|2,0,1]=4 289 B8R0.11 C=C[C@@H](CO)NCOC 2230a_100016989147_100000766300 [1,0,0,0,0,0|2,0,1]=4 290 B8R0.11 C=C[C@@H](CO)NCSC 2230a_100016989147_100011218213 [1,0,0,0,0,0|2,0,1]=4 291 B8R0.11 C=C[C@@H](CO)NCSC 34a_100016989147_100011218213 [1,0,0,0,0,0|2,0,1]=4 292 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [1,0,0,0,0,0|2,0,0]=3 293 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [1,0,0,0,0,0|2,0,0]=3 294 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [1,0,0,0,0,0|2,0,0]=3 295 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [1,0,0,0,0,0|2,0,0]=3 296 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [1,0,0,0,0,0|2,0,0]=3 297 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [1,0,0,0,0,0|2,0,0]=3 298 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [1,0,0,0,0,0|2,0,0]=3 299 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [1,0,0,0,0,0|2,0,0]=3 300 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [1,0,0,0,0,0|2,0,0]=3 301 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [1,0,0,0,0,0|2,0,0]=3 302 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [1,0,0,0,0,0|2,0,0]=3 303 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [1,0,0,0,0,0|2,0,0]=3 304 B8R0.11 CCCCN(CC)CC 2230a_100000207695_100000210202 [1,0,0,0,0,0|2,0,1]=4 305 B8R0.11 CCCCN(CC)CC 2230a_100000724800_100000210211 [1,0,0,0,0,0|2,0,1]=4 306 B8R0.11 CCCCN(CC)CC 269956a_100000042499_100000210211 [1,0,0,0,0,0|2,0,1]=4 307 B8R0.11 CCCCN(CC)CC 269982a_100000207695_100000204670 [1,0,0,0,0,0|2,0,1]=4 308 B8R0.11 CCCCN(CC)CC 269982a_100000724800_100000210211 [1,0,0,0,0,0|2,0,1]=4 309 B8R0.11 CCCCN(CC)CF 269982a_100000207695_100015361967 [1,0,0,0,0,0|2,0,1]=4 310 B8R0.11 CCCC[C@@H](CO)NC 2230a_100011934283_200000210301 [1,0,0,0,0,0|1,0,0]=2 311 B8R0.11 CCCC[C@@H](CO)NC 34a_100011934283_200000210301 [1,0,0,0,0,0|1,0,0]=2 312 B8R0.11 CCCC[C@@H](CO)N[13CH3] 2230a_100011934283_200025704644 [1,0,0,0,0,0|1,0,0]=2 313 B8R0.11 CCCC[C@@H](CO)N[13CH3] 34a_100011934283_200025704644 [1,0,0,0,0,0|1,0,0]=2 314 B8R0.11 CCCNC(CC)CC 2230a_100000199018_100000210303 [1,0,0,0,0,0|2,0,1]=4 315 B8R0.11 CCCNC(CC)CC 270004a_100020643023_100000210860 [1,0,0,0,0,0|2,0,1]=4 316 B8R0.11 CCCNC(CO)CO 2230a_100000759517_100000210303 [1,0,0,0,0,0|1,0,2]=4 317 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [1,0,0,0,0,0|1,0,1]=3 318 B8R0.11 CCCOC(C=O)C=O 34a_100000210258_100000736813 [1,0,0,0,0,0|1,0,2]=4 319 B8R0.11 CCCOC(CC)CC 7a_100000688536_100000210303 [1,0,0,0,0,0|2,0,1]=4 320 B8R0.11 CCCSC(C=O)C=O 62a_100000210303_100000736813 [1,0,0,0,0,0|1,0,2]=4 321 B8R0.11 CCCSC(C=O)C=O 62a_100000736813_100000210303 [1,0,0,0,0,0|1,0,2]=4 322 B8R0.11 CCCSC(CC)CC 62a_100000210303_100000210505 [1,0,0,0,0,0|2,0,1]=4 323 B8R0.11 CCCSC(CC)CC 62a_100000210505_100000210303 [1,0,0,0,0,0|2,0,1]=4 324 B8R0.11 CCNCC(CC)CC 2230a_100015525214_100011215472 [1,0,0,0,0,0|2,0,1]=4 325 B8R0.11 CCNCC(CC)CC 2230a_100102946423_100000210202 [1,0,0,0,0,0|2,0,1]=4 326 B8R0.11 CCNCC(CC)CC 269862a_100015525214_100000211137 [1,0,0,0,0,0|2,0,1]=4 327 B8R0.11 CCNCC(CC)CC 270004a_100015525214_100000211137 [1,0,0,0,0,0|2,0,1]=4 328 B8R0.11 CCOCC(CC)CC 34a_100121572206_100011215472 [1,0,0,0,0,0|2,0,1]=4 329 B8R0.11 CCOCC(CC)CC 7a_100000703878_100000210202 [1,0,0,0,0,0|2,0,1]=4 330 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [1,0,0,0,0,0|3,0,0]=4 331 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [1,0,0,0,0,0|3,0,0]=4 332 B8R0.11 CCOCC(CN)OC 34a_102515437182_200000210301 [1,0,0,0,0,0|3,0,0]=4 333 B8R0.11 CCOCC(CN)O[13CH3] 34a_102515437182_200025704644 [1,0,0,0,0,0|3,0,0]=4 334 B8R0.11 CCSCC(CC)CC 62a_100000210202_100011215472 [1,0,0,0,0,0|2,0,1]=4 335 B8R0.11 CCSCC(CC)CC 62a_100011215472_100000210202 [1,0,0,0,0,0|2,0,1]=4 336 B8R0.11 CC[C@@H](CO)NCCF 2230a_100000709445_100011217306 [1,0,0,0,0,0|2,0,1]=4 337 B8R0.11 CC[C@@H](CO)NCCO 2230a_100000709445_100000211926 [1,0,0,0,0,0|2,0,1]=4 338 B8R0.11 CC[C@@H](CO)NCOC 2230a_100000709445_100000766300 [1,0,0,0,0,0|2,0,1]=4 339 B8R0.11 CC[C@@H](CO)NCSC 2230a_100000709445_100011218213 [1,0,0,0,0,0|2,0,1]=4 340 B8R0.11 CN[C@H](CO)CCSC 2230a_100011827619_200000210301 [1,0,0,0,0,0|2,0,0]=3 341 B8R0.11 CSCC[C@@H](CO)N[13CH3] 2230a_100011827619_200025704644 [1,0,0,0,0,0|2,0,0]=3 342 B8R0.15 CC(C)C(CO)CN[13CH3] 34a_100000692819_200025704644 [1,0,0,0,0,0|2,0,1]=4 343 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,0,0,0,0,0|1,0,0]=2 344 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,0,0,0,0,0|1,0,0]=2 345 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,0,0,0,0,0|1,0,0]=2 346 B8R0.15 CCCC(CC)N(C)C 269982a_100102631434_100011219200 [1,0,0,0,0,0|3,0,0]=4 347 B8R0.15 CCCC(CC)N(C)C 270004a_100102631434_100000687865 [1,0,0,0,0,0|3,0,0]=4 348 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [1,0,0,0,0,0|3,0,0]=4 349 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [1,0,0,0,0,0|3,0,0]=4 350 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [1,0,0,0,0,0|3,0,0]=4 351 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [1,0,0,0,0,0|3,0,0]=4 352 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [1,0,0,0,0,0|2,0,0]=3 353 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [1,0,0,0,0,0|2,0,0]=3 354 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [1,0,0,0,0,0|2,0,0]=3 355 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [1,0,0,0,0,0|2,0,0]=3 356 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [1,0,0,0,0,0|3,0,0]=4 357 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [1,0,0,0,0,0|3,0,0]=4 358 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,0,0,0,0,0|3,0,0]=4 359 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [1,0,0,0,0,0|3,0,0]=4 360 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [1,0,0,0,0,0|3,0,0]=4 361 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,0,0,0,0,0|3,0,0]=4 362 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [1,0,0,0,0,0|3,0,0]=4 363 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [1,0,0,0,0,0|3,0,0]=4 364 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [1,0,0,0,0,0|3,0,0]=4 365 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [1,0,0,0,0,0|3,0,0]=4 366 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [1,0,0,0,0,0|3,0,0]=4 367 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,0,0,0,0,0|2,0,0]=3 368 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [1,0,0,0,0,0|2,0,0]=3 369 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [1,0,0,0,0,0|2,0,0]=3 370 B8R0.15 CCN[C@@H](CO)C(C)C 2230a_100011830312_100000210202 [1,0,0,0,0,0|2,0,1]=4 371 B8R0.15 CCN[C@@H](CO)C(C)C 34a_100011830312_100000210202 [1,0,0,0,0,0|2,0,1]=4 372 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,0,0,0,0,0|3,0,0]=4 373 B8R0.15 CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210202 [1,0,0,0,0,0|1,0,2]=4 374 B8R0.15 CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210202 [1,0,0,0,0,0|1,0,2]=4 375 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [1,0,0,0,0,0|3,0,0]=4 376 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [1,0,0,0,0,0|3,0,0]=4 377 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [1,0,0,0,0,0|3,0,0]=4 378 B8R0.15 CNCC(CO)C(C)C 34a_100000692819_200000210301 [1,0,0,0,0,0|2,0,1]=4 379 B8R0.15 NC(=O)[C@H](CO)NCF 34a_100000729942_100015361967 [1,0,0,0,0,0|3,0,0]=4 380 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [1,0,0,0,0,0|3,0,0]=4 381 B10R0.17 CC(=O)N(CCCO)C(C)C 240690a_100000182298_100015343762 [0,1,0,0,0,0|3,0,0]=4 382 B10R0.17 CC(=O)N(CCCO)C(C)C 527a_100000182298_100103153847 [0,1,0,0,0,0|3,0,0]=4 383 B10R0.17 CC(O)C(NCCF)C(=O)O 269956a_100000185852_100011217306 [0,1,0,0,0,0|3,0,0]=4 384 B10R0.17 CC(O)C(NCCO)C(=O)O 269956a_100000185852_100000211926 [0,1,0,0,0,0|3,0,0]=4 385 B10R0.17 CCCCC(C(=O)C)C(=O)N 1458a_100000070787_100000748834 [0,1,0,0,0,0|0,0,2]=3 386 B10R0.17 CCCCC(C(=O)N)N(C)C 2230a_100102631434_100000748834 [0,1,0,0,0,0|3,0,0]=4 387 B10R0.17 CCCCC(C(=O)N)N(C)C 269982a_100102631434_100000748834 [0,1,0,0,0,0|3,0,0]=4 388 B10R0.17 CCCCC(C(C)C)N(C)C 270004a_100102631434_200011215219 [0,1,0,0,0,0|3,0,0]=4 389 B10R0.17 CCCCN(C(=O)C)C(C)C 11a_100000207398_100015343762 [0,1,0,0,0,0|2,0,0]=3 390 B10R0.17 CCCCN(C(=O)C)C(C)C 1626a_100000207398_100015343762 [0,1,0,0,0,0|2,0,0]=3 391 B10R0.17 CCCCN(C(=O)C)C(C)C 240690a_100000207398_100015343762 [0,1,0,0,0,0|2,0,0]=3 392 B10R0.17 CCCCN(C(=O)C)C(C)C 527a_100000207398_100103153847 [0,1,0,0,0,0|2,0,0]=3 393 B10R0.17 CCCNC(C(=O)O)C(C)O 269956a_100000185852_100000210207 [0,1,0,0,0,0|2,0,0]=3 394 B10R0.17 CCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210207 [0,1,0,0,0,0|3,0,0]=4 395 B10R0.17 CCCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210303 [0,1,0,0,0,0|2,0,0]=3 396 B10R0.17 CCCOC(C(=O)N)C(C)C 34a_100000210258_100000230017 [0,1,0,0,0,0|3,0,0]=4 397 B10R0.17 CCCSC(C(=O)C)C(=O)C 62a_100000210303_100000210371 [0,1,0,0,0,0|1,0,2]=4 398 B10R0.17 CCCSC(C(=O)C)C(=O)C 62a_100000210371_100000210303 [0,1,0,0,0,0|1,0,2]=4 399 B10R0.17 CCCSC(C(=O)N)C(C)C 62a_100000210303_100000230017 [0,1,0,0,0,0|3,0,0]=4 400 B10R0.17 CCCSC(C(=O)N)C(C)C 62a_100000230017_100000210303 [0,1,0,0,0,0|3,0,0]=4 401 B10R0.17 COCCN(C(=O)C)C(C)C 11a_200000223778_100015343762 [0,1,0,0,0,0|3,0,0]=4 402 B10R0.17 COCCN(C(=O)C)C(C)C 1626a_200000223778_100015343762 [0,1,0,0,0,0|3,0,0]=4 403 B10R0.17 COCCN(C(=O)C)C(C)C 240690a_200000223778_100015343762 [0,1,0,0,0,0|3,0,0]=4 404 B10R0.17 COCCN(C(=O)C)C(C)C 527a_200000223778_100103153847 [0,1,0,0,0,0|3,0,0]=4 405 B10R0.17 COCNC(C(=O)O)C(C)O 269956a_100000185852_100000766300 [0,1,0,0,0,0|3,0,0]=4 406 B10R0.17 COCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000766300 [0,1,0,0,0,0|3,0,0]=4 407 B10R0.17 CSCNC(C(=O)O)C(C)O 269956a_100000185852_100011218213 [0,1,0,0,0,0|3,0,0]=4 408 B10R0.17 CSCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100011218213 [0,1,0,0,0,0|3,0,0]=4 409 B10R0.17 C[C@@H](O)[C@H](NCCF)C(=O)N 2230a_100000003557_100011217306 [0,1,0,0,0,0|3,0,0]=4 410 B10R0.17 C[C@@H](O)[C@H](NCCO)C(=O)N 2230a_100000003557_100000211926 [0,1,0,0,0,0|3,0,0]=4 411 B10R0.53 CC(CO)N[C@@H](CO)C(=O)N 2230a_100000729942_100012180447 [0,1,0,0,0,0|3,0,0]=4 412 B10R0.53 CC(CO)N[C@@H](CO)C(=O)N 34a_100000729942_100012180447 [0,1,0,0,0,0|3,0,0]=4 413 B10R0.53 CCC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100000210414 [0,1,0,0,0,0|2,0,1]=4 414 B10R0.53 CCC(C)CC(CC)N(C)C 270004a_100102631434_100000184709 [0,1,0,0,0,0|3,0,0]=4 415 B10R0.53 CCC(C)NC(CC)C(=O)N 2230a_100000209981_100000750255 [0,1,0,0,0,0|3,0,0]=4 416 B10R0.53 CCC(C)NC(CC)C(=O)N 2230a_100000733705_100000758301 [0,1,0,0,0,0|3,0,0]=4 417 B10R0.53 CCC(C)NC(CC)C(=O)N 34a_100000733705_100011215416 [0,1,0,0,0,0|3,0,0]=4 418 B10R0.53 CCC(C)NC(CO)C(=O)O 269956a_100000187304_100000758301 [0,1,0,0,0,0|2,0,0]=3 419 B10R0.53 CCC(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100000758301 [0,1,0,0,0,0|2,0,0]=3 420 B10R0.53 CCC(C)N[C@@H](CO)C(=O)N 34a_100000729942_100011215416 [0,1,0,0,0,0|2,0,0]=3 421 B10R0.53 CCC(C)N[C@@H](CO)C(C)C 2230a_100011830312_100000758301 [0,1,0,0,0,0|2,0,1]=4 422 B10R0.53 CCC(C)N[C@@H](CO)C(C)C 34a_100011830312_100011215416 [0,1,0,0,0,0|2,0,1]=4 423 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [0,1,0,0,0,0|3,0,0]=4 424 B10R0.53 CCC(C)N[C@H](CO)[C@@H](C)O 2230a_100015196842_100000758301 [0,1,0,0,0,0|1,0,2]=4 425 B10R0.53 CCC(C)N[C@H](CO)[C@@H](C)O 34a_100015196842_100011215416 [0,1,0,0,0,0|1,0,2]=4 426 B10R0.53 CCC(C)OC(CC)C(=O)N 7a_100000210228_100000750255 [0,1,0,0,0,0|3,0,0]=4 427 B10R0.53 CCC(C)SC(CC)C(=O)N 62a_100000750255_100000758301 [0,1,0,0,0,0|3,0,0]=4 428 B10R0.53 CCC(C)SC(CC)C(=O)N 62a_100000758301_100000750255 [0,1,0,0,0,0|3,0,0]=4 429 B10R0.53 CCC(O)CN(CC)C(=O)C 11a_100011365200_100015343762 [0,1,0,0,0,0|2,0,0]=3 430 B10R0.53 CCC(O)CN(CC)C(=O)C 1626a_100011365200_100015343762 [0,1,0,0,0,0|2,0,0]=3 431 B10R0.53 CCC(O)CN(CC)C(=O)C 240690a_100011365200_100015343762 [0,1,0,0,0,0|2,0,0]=3 432 B10R0.53 CCC(O)CN(CC)C(=O)C 527a_100011365200_100103153847 [0,1,0,0,0,0|2,0,0]=3 433 B10R0.53 COC(C)NC(CO)C(=O)O 269956a_100000187304_100009879195 [0,1,0,0,0,0|3,0,0]=4 434 B10R0.53 C[C@H](CO)NC(CO)C(=O)O 269956a_100000187304_100016084084 [0,1,0,0,0,0|3,0,0]=4 435 B10R0.84 C=C(C)CNC(CO)C(=O)O 269956a_100000187304_100000748629 [0,1,0,0,0,0|2,0,1]=4 436 B10R0.84 C=C(C)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000748629 [0,1,0,0,0,0|2,0,1]=4 437 B10R0.84 C=C(C)CN[C@@H](CO)C(=O)N 34a_100000729942_100000748629 [0,1,0,0,0,0|2,0,1]=4 438 B10R0.84 CC(C)CNC(CO)C(=O)O 269956a_100000187304_100000210760 [0,1,0,0,0,0|2,0,0]=3 439 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000210760 [0,1,0,0,0,0|2,0,0]=3 440 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 270004a_100000729942_100000210432 [0,1,0,0,0,0|2,0,0]=3 441 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 34a_100000729942_100000210624 [0,1,0,0,0,0|2,0,0]=3 442 B10R0.84 CC(C)CN[C@@H](CO)C(C)C 2230a_100011830312_100000210760 [0,1,0,0,0,0|2,0,1]=4 443 B10R0.84 CC(C)CN[C@@H](CO)C(C)C 270004a_100011830312_100000210432 [0,1,0,0,0,0|2,0,1]=4 444 B10R0.84 CC(C)CN[C@@H](CO)C(C)C 34a_100011830312_100000210624 [0,1,0,0,0,0|2,0,1]=4 445 B10R0.84 CC(C)CN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210760 [0,1,0,0,0,0|1,0,2]=4 446 B10R0.84 CC(C)CN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210624 [0,1,0,0,0,0|1,0,2]=4 447 B10R0.84 CC(C)NCC(CO)C(C)C 34a_100000692819_100000210206 [0,1,0,0,0,0|2,0,1]=4 448 B10R0.84 CC(C)[C@H](CO)NC[C@@H](C)O 2230a_100011830312_100009817552 [0,1,0,0,0,0|2,0,1]=4 449 B10R0.84 CC(C)[C@H](CO)NC[C@@H](C)O 34a_100011830312_100009817552 [0,1,0,0,0,0|2,0,1]=4 450 B10R0.84 CC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218427 [0,1,0,0,0,0|2,0,0]=3 451 B10R0.84 CC(O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100011218427 [0,1,0,0,0,0|2,0,0]=3 452 B10R0.84 CC(O)CN[C@@H](CO)C(=O)N 34a_100000729942_100011218427 [0,1,0,0,0,0|2,0,0]=3 453 B10R0.84 CC(O)CN[C@@H](CO)C(C)C 2230a_100011830312_100011218427 [0,1,0,0,0,0|2,0,1]=4 454 B10R0.84 CC(O)CN[C@@H](CO)C(C)C 34a_100011830312_100011218427 [0,1,0,0,0,0|2,0,1]=4 455 B10R0.84 CC(O)CN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011218427 [0,1,0,0,0,0|1,0,2]=4 456 B10R0.84 CC(O)CN[C@H](CO)[C@@H](C)O 34a_100015196842_100011218427 [0,1,0,0,0,0|1,0,2]=4 457 B10R0.84 CCC(NCC(C)C)C(=O)N 2230a_100000210953_100000750255 [0,1,0,0,0,0|3,0,0]=4 458 B10R0.84 CCC(NCC(C)C)C(=O)N 2230a_100000733705_100000210760 [0,1,0,0,0,0|3,0,0]=4 459 B10R0.84 CCC(NCC(C)C)C(=O)N 34a_100000210953_100000750255 [0,1,0,0,0,0|3,0,0]=4 460 B10R0.84 CCC(NCC(C)C)C(=O)N 34a_100000733705_100000210624 [0,1,0,0,0,0|3,0,0]=4 461 B10R0.84 CCC(NCC(C)O)C(=O)N 2230a_100000210904_100000750255 [0,1,0,0,0,0|3,0,0]=4 462 B10R0.84 CCC(NCC(C)O)C(=O)N 2230a_100000733705_100011218427 [0,1,0,0,0,0|3,0,0]=4 463 B10R0.84 CCC(NCC(C)O)C(=O)N 34a_100000210904_100000750255 [0,1,0,0,0,0|3,0,0]=4 464 B10R0.84 CCC(NCC(C)O)C(=O)N 34a_100000733705_100011218427 [0,1,0,0,0,0|3,0,0]=4 465 B10R0.84 CCC(NC[C@@H](C)O)C(=O)N 2230a_100000733705_100009817552 [0,1,0,0,0,0|3,0,0]=4 466 B10R0.84 CCC(NC[C@@H](C)O)C(=O)N 34a_100000733705_100009817552 [0,1,0,0,0,0|3,0,0]=4 467 B10R0.84 CCC(OCC(C)Br)C(=O)N 34a_100012180447_100000750255 [0,1,0,0,0,0|3,0,0]=4 468 B10R0.84 CCC(OCC(C)C)C(=O)N 34a_100000210257_100000750255 [0,1,0,0,0,0|3,0,0]=4 469 B10R0.84 CCC(OCC(C)F)C(=O)N 34a_100015925927_100000750255 [0,1,0,0,0,0|3,0,0]=4 470 B10R0.84 CCC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000750255 [0,1,0,0,0,0|3,0,0]=4 471 B10R0.84 CCC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000750255 [0,1,0,0,0,0|3,0,0]=4 472 B10R0.84 CCC(SCC(C)C)C(=O)N 62a_100000210624_100000750255 [0,1,0,0,0,0|3,0,0]=4 473 B10R0.84 CCC(SCC(C)C)C(=O)N 62a_100000750255_100000210760 [0,1,0,0,0,0|3,0,0]=4 474 B10R0.84 CCC(SCC(C)O)C(=O)N 62a_100000750255_100011218427 [0,1,0,0,0,0|3,0,0]=4 475 B10R0.84 CCC(SCC(C)O)C(=O)N 62a_100011218427_100000750255 [0,1,0,0,0,0|3,0,0]=4 476 B10R0.84 CCC(SC[C@@H](C)O)C(=O)N 62a_100000750255_100009817552 [0,1,0,0,0,0|3,0,0]=4 477 B10R0.84 CCC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000750255 [0,1,0,0,0,0|3,0,0]=4 478 B10R0.84 CCN(CCC(C)C)C(=O)C 11a_100000207693_100015343762 [0,1,0,0,0,0|2,0,0]=3 479 B10R0.84 CCN(CCC(C)C)C(=O)C 1626a_100000207693_100015343762 [0,1,0,0,0,0|2,0,0]=3 480 B10R0.84 CCN(CCC(C)C)C(=O)C 240690a_100000207693_100015343762 [0,1,0,0,0,0|2,0,0]=3 481 B10R0.84 CCN(CCC(C)C)C(=O)C 527a_100000207693_100103153847 [0,1,0,0,0,0|2,0,0]=3 482 B10R0.84 CCN(CCN(C)C)C(=O)C 240690a_100000225870_100015343762 [0,1,0,0,0,0|3,0,0]=4 483 B10R0.84 CC[C@@H](NCC(C)C)C(=O)O 269956a_100000747097_100000210760 [0,1,0,0,0,0|3,0,0]=4 484 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [0,1,0,0,0,0|3,0,0]=4 485 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [0,1,0,0,0,0|3,0,0]=4 486 B10R0.84 C[C@@H](O)CNC(CO)C(=O)O 269956a_100000187304_100009817552 [0,1,0,0,0,0|2,0,0]=3 487 B10R0.84 C[C@@H](O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100009817552 [0,1,0,0,0,0|2,0,0]=3 488 B10R0.84 C[C@@H](O)CN[C@@H](CO)C(=O)N 34a_100000729942_100009817552 [0,1,0,0,0,0|2,0,0]=3 489 B10R0.84 C[C@@H](O)CN[C@H](CO)[C@@H](C)O 2230a_100015196842_100009817552 [0,1,0,0,0,0|1,0,2]=4 490 B10R0.84 C[C@@H](O)CN[C@H](CO)[C@@H](C)O 34a_100015196842_100009817552 [0,1,0,0,0,0|1,0,2]=4 491 B10R0.84 NC(=O)[C@H](CO)NCC(F)F 2230a_100000729942_100011934356 [0,1,0,0,0,0|3,0,0]=4 492 B10R0.84 NC(=O)[C@H](CO)NCC(F)F 34a_100000729942_100011934356 [0,1,0,0,0,0|3,0,0]=4 493 B10R0.84 O=C(O)C(CO)NCC(F)F 269956a_100000187304_100011934356 [0,1,0,0,0,0|3,0,0]=4 494 B10R0.85 C#CC(=O)C(CC)CCCC 1458a_100000211873_200011216223 [0,1,0,0,0,0|1,0,1]=3 495 B10R0.85 C#CCNC(CO)C(=O)OC 34a_100000212058_100012276630 [0,1,0,0,0,0|1,0,2]=4 496 B10R0.85 C#CCOC(CO)C(=O)OC 34a_100000210247_100012276630 [0,1,0,0,0,0|1,0,2]=4 497 B10R0.85 C#CCSC(CO)C(=O)OC 62a_100000038162_100012276630 [0,1,0,0,0,0|1,0,2]=4 498 B10R0.85 C=CC(=O)C(CC)CCCC 1458a_100000185746_200011216223 [0,1,0,0,0,0|1,0,1]=3 499 B10R0.85 C=CC(=O)N(CC)CCCC 1626a_100000207695_100000185746 [0,1,0,0,0,0|2,0,1]=4 500 B10R0.85 C=CC(=O)N(CC)CCCC 240690a_100000207695_200121576911 [0,1,0,0,0,0|2,0,1]=4 501 B10R0.85 C=CCOC(CO)C(=O)OC 34a_200000210373_100012276630 [0,1,0,0,0,0|1,0,2]=4 502 B10R0.85 C=CCSC(CO)C(=O)OC 62a_100000210623_100012276630 [0,1,0,0,0,0|1,0,2]=4 503 B10R0.85 C=CCSC(CO)C(=O)OC 62a_100012276630_100000210623 [0,1,0,0,0,0|1,0,2]=4 504 B10R0.85 CCC(=O)C(CC)OCCF 34a_200011218131_100011217306 [0,1,0,0,0,0|3,0,0]=4 505 B10R0.85 CCC(=O)C(CC)OCCF 7a_200011218131_100011217306 [0,1,0,0,0,0|3,0,0]=4 506 B10R0.85 CCC(=O)C(CC)OCCO 34a_200011218131_100000211926 [0,1,0,0,0,0|3,0,0]=4 507 B10R0.85 CCC(=O)C(CC)OCCO 7a_200011218131_100000211926 [0,1,0,0,0,0|3,0,0]=4 508 B10R0.85 CCC(=O)C(CC)OCSC 34a_200011218131_100011218213 [0,1,0,0,0,0|3,0,0]=4 509 B10R0.85 CCC(=O)N(CC)CCOC 11a_100000731262_100000210414 [0,1,0,0,0,0|3,0,0]=4 510 B10R0.85 CCC(=O)N(CC)CCOC 1626a_100000731262_100000210414 [0,1,0,0,0,0|3,0,0]=4 511 B10R0.85 CCC(=O)N(CC)CCOC 240690a_100000731262_100000210414 [0,1,0,0,0,0|3,0,0]=4 512 B10R0.85 CCC(=O)N(CC)CCOC 527a_100000731262_100000210414 [0,1,0,0,0,0|3,0,0]=4 513 B10R0.85 CCC(NCCF)C(=O)OC 34a_100000724931_100000235869 [0,1,0,0,0,0|3,0,0]=4 514 B10R0.85 CCC(NCCO)C(=O)OC 2230a_100016997473_100000235869 [0,1,0,0,0,0|3,0,0]=4 515 B10R0.85 CCC(NCCO)C(=O)OC 34a_100016990907_100000235869 [0,1,0,0,0,0|3,0,0]=4 516 B10R0.85 CCC(OCCBr)C(=O)OC 34a_100000211926_100000235869 [0,1,0,0,0,0|3,0,0]=4 517 B10R0.85 CCC(OCCF)C(=O)OC 34a_100000695916_100011217306 [0,1,0,0,0,0|3,0,0]=4 518 B10R0.85 CCC(OCCF)C(=O)OC 7a_100000695916_100011217306 [0,1,0,0,0,0|3,0,0]=4 519 B10R0.85 CCC(OCCN)C(=O)OC 34a_100000210304_100000235869 [0,1,0,0,0,0|3,0,0]=4 520 B10R0.85 CCC(OCCO)C(=O)OC 34a_100000695916_100000211926 [0,1,0,0,0,0|3,0,0]=4 521 B10R0.85 CCC(OCCO)C(=O)OC 7a_100000695916_100000211926 [0,1,0,0,0,0|3,0,0]=4 522 B10R0.85 CCC(OCSC)C(=O)OC 34a_100000695916_100011218213 [0,1,0,0,0,0|3,0,0]=4 523 B10R0.85 CCC(SCCF)C(=O)OC 62a_100000235869_100011217306 [0,1,0,0,0,0|3,0,0]=4 524 B10R0.85 CCC(SCCF)C(=O)OC 62a_100011217306_100000235869 [0,1,0,0,0,0|3,0,0]=4 525 B10R0.85 CCC(SCCO)C(=O)OC 62a_100000211926_100000235869 [0,1,0,0,0,0|3,0,0]=4 526 B10R0.85 CCC(SCCO)C(=O)OC 62a_100000235869_100000211926 [0,1,0,0,0,0|3,0,0]=4 527 B10R0.85 CCC(SCOC)C(=O)OC 62a_100000235869_100000766300 [0,1,0,0,0,0|3,0,0]=4 528 B10R0.85 CCC(SCOC)C(=O)OC 62a_100000766300_100000235869 [0,1,0,0,0,0|3,0,0]=4 529 B10R0.85 CCC(SCSC)C(=O)OC 62a_100000235869_100011218213 [0,1,0,0,0,0|3,0,0]=4 530 B10R0.85 CCC(SCSC)C(=O)OC 62a_100011218213_100000235869 [0,1,0,0,0,0|3,0,0]=4 531 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000210414_200011216223 [0,1,0,0,0,0|1,0,0]=2 532 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000211130_100000210202 [0,1,0,0,0,0|1,0,0]=2 533 B10R0.85 CCCCC(CC)C(=O)CF 1458a_100000211130_100015361967 [0,1,0,0,0,0|1,0,0]=2 534 B10R0.85 CCCCC(CC)C(=O)CO 1458a_100000210174_200011216223 [0,1,0,0,0,0|1,0,0]=2 535 B10R0.85 CCCCC(CC)C(=O)NC 11a_106832991635_100000211130 [0,1,0,0,0,0|1,0,0]=2 536 B10R0.85 CCCCC(CC)C(=O)NC 1626a_100102657272_100000211130 [0,1,0,0,0,0|1,0,0]=2 537 B10R0.85 CCCCC(CC)C(=O)NC 240690a_100102657272_100000211130 [0,1,0,0,0,0|1,0,0]=2 538 B10R0.85 CCCCC(CC)C(=O)NC 527a_100102657272_100000211130 [0,1,0,0,0,0|1,0,0]=2 539 B10R0.85 CCCCC(CC)C(C)OC 34a_200011290779_200000210301 [0,1,0,0,0,0|1,0,2]=4 540 B10R0.85 CCCCC(CC)C(C)OC 7a_200011290779_200000210301 [0,1,0,0,0,0|1,0,2]=4 541 B10R0.85 CCCCC(CC)C(C)O[13CH3] 34a_200011290779_200025704644 [0,1,0,0,0,0|1,0,2]=4 542 B10R0.85 CCCCC(CC)C(C)O[13CH3] 7a_200011290779_200025704644 [0,1,0,0,0,0|1,0,2]=4 543 B10R0.85 CCCCC(CC)N(C)CC 269982a_100000225621_200011216223 [0,1,0,0,0,0|3,0,0]=4 544 B10R0.85 CCCCC(NC)C(=O)OC 2230a_106832991635_100000750740 [0,1,0,0,0,0|2,0,0]=3 545 B10R0.85 CCCCC(NC)C(=O)OC 34a_100102657272_100000750740 [0,1,0,0,0,0|2,0,0]=3 546 B10R0.85 CCCCC(NC)C(=O)OC 7a_106832991635_100000750740 [0,1,0,0,0,0|2,0,0]=3 547 B10R0.85 CCCCC(OC)C(=O)OC 34a_100138415774_100000750740 [0,1,0,0,0,0|2,0,0]=3 548 B10R0.85 CCCCC(SC)C(=O)OC 62a_100000750740_200000210301 [0,1,0,0,0,0|2,0,0]=3 549 B10R0.85 CCCCC(SC)C(=O)OC 62a_200000210301_100000750740 [0,1,0,0,0,0|2,0,0]=3 550 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_100000750740_200025704644 [0,1,0,0,0,0|2,0,0]=3 551 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_200025704644_100000750740 [0,1,0,0,0,0|2,0,0]=3 552 B10R0.85 CCCCN(CC)C(=O)CC 11a_100000207695_100000210414 [0,1,0,0,0,0|2,0,0]=3 553 B10R0.85 CCCCN(CC)C(=O)CC 1626a_100000207695_100000210414 [0,1,0,0,0,0|2,0,0]=3 554 B10R0.85 CCCCN(CC)C(=O)CC 240690a_100000207695_100000210414 [0,1,0,0,0,0|2,0,0]=3 555 B10R0.85 CCCCN(CC)C(=O)CC 527a_100000207695_100000210414 [0,1,0,0,0,0|2,0,0]=3 556 B10R0.85 CCCCN(CC)C(=O)CO 240690a_100000207695_100000210174 [0,1,0,0,0,0|2,0,0]=3 557 B10R0.85 CCCCN(CC)C(=O)CO 527a_100000207695_100000210174 [0,1,0,0,0,0|2,0,0]=3 558 B10R0.85 CCCCN(CC)C(=O)NC 2708a_100102657272_100000207695 [0,1,0,0,0,0|2,0,0]=3 559 B10R0.85 CCCCN(CC)C(=O)NC 273464a_100102657272_100000207695 [0,1,0,0,0,0|2,0,0]=3 560 B10R0.85 CCCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210303 [0,1,0,0,0,0|2,0,0]=3 561 B10R0.85 CCCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210303 [0,1,0,0,0,0|2,0,0]=3 562 B10R0.85 CCCN[C@H](CO)[C@@H](C)CC 2230a_100011827617_100000210303 [0,1,0,0,0,0|2,0,1]=4 563 B10R0.85 CCCOC(C=O)C(=O)OC 34a_100000210258_100000046368 [0,1,0,0,0,0|1,0,2]=4 564 B10R0.85 CCCOC(CC)C(=O)CC 34a_200011218131_100000210303 [0,1,0,0,0,0|2,0,0]=3 565 B10R0.85 CCCOC(CC)C(=O)CC 7a_200011218131_100000210303 [0,1,0,0,0,0|2,0,0]=3 566 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000210258_100000235869 [0,1,0,0,0,0|2,0,0]=3 567 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000695916_100000210303 [0,1,0,0,0,0|2,0,0]=3 568 B10R0.85 CCCOC(CC)C(=O)OC 7a_100000695916_100000210303 [0,1,0,0,0,0|2,0,0]=3 569 B10R0.85 CCCOC(CN)C(=O)OC 34a_100000695228_100000210303 [0,1,0,0,0,0|2,0,0]=3 570 B10R0.85 CCCOC(CO)C(=O)OC 34a_100000210258_100012276630 [0,1,0,0,0,0|1,0,0]=2 571 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000036821_100000210303 [0,1,0,0,0,0|3,0,0]=4 572 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000210258_100000101307 [0,1,0,0,0,0|3,0,0]=4 573 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000046368_100000210303 [0,1,0,0,0,0|1,0,2]=4 574 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000210303_100000046368 [0,1,0,0,0,0|1,0,2]=4 575 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000210303_100000235869 [0,1,0,0,0,0|2,0,0]=3 576 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000235869_100000210303 [0,1,0,0,0,0|2,0,0]=3 577 B10R0.85 CCCSC(CO)C(=O)OC 62a_100000210303_100012276630 [0,1,0,0,0,0|1,0,0]=2 578 B10R0.85 CCCSC(CO)C(=O)OC 62a_100012276630_100000210303 [0,1,0,0,0,0|1,0,0]=2 579 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000101307_100000210303 [0,1,0,0,0,0|3,0,0]=4 580 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000210303_100000101307 [0,1,0,0,0,0|3,0,0]=4 581 B10R0.85 CCN(CCOC)C(=O)CO 240690a_100000731262_100000210174 [0,1,0,0,0,0|3,0,0]=4 582 B10R0.85 CCN(CCOC)C(=O)CO 527a_100000731262_100000210174 [0,1,0,0,0,0|3,0,0]=4 583 B10R0.85 CCN(CCOC)C(=O)NC 2708a_100102657272_100000731262 [0,1,0,0,0,0|3,0,0]=4 584 B10R0.85 CCN(CCOC)C(=O)NC 273464a_100102657272_100000731262 [0,1,0,0,0,0|3,0,0]=4 585 B10R0.85 CC[C@H](NCCF)C(=O)NC 2230a_106657271573_100011217306 [0,1,0,0,0,0|3,0,0]=4 586 B10R0.85 CC[C@H](NCCF)C(=O)NC 34a_106657271573_100011217306 [0,1,0,0,0,0|3,0,0]=4 587 B10R0.85 CC[C@H](NCCO)C(=O)NC 2230a_106657271573_100000211926 [0,1,0,0,0,0|3,0,0]=4 588 B10R0.85 CC[C@H](NCCO)C(=O)NC 34a_106657271573_100000211926 [0,1,0,0,0,0|3,0,0]=4 589 B10R0.85 CC[C@H](NCOC)C(=O)NC 2230a_106657271573_100000766300 [0,1,0,0,0,0|3,0,0]=4 590 B10R0.85 CC[C@H](NCSC)C(=O)NC 2230a_106657271573_100011218213 [0,1,0,0,0,0|3,0,0]=4 591 B10R0.85 CC[C@H](NCSC)C(=O)NC 34a_106657271573_100011218213 [0,1,0,0,0,0|3,0,0]=4 592 B10R0.85 COC(=O)C(CN)OCCF 34a_100000695228_100011217306 [0,1,0,0,0,0|3,0,0]=4 593 B10R0.85 COC(=O)C(CN)OCCO 34a_100000695228_100000211926 [0,1,0,0,0,0|3,0,0]=4 594 B10R0.85 COC(=O)C(CN)OCSC 34a_100000695228_100011218213 [0,1,0,0,0,0|3,0,0]=4 595 B10R0.85 COC(=O)C(CO)NCCF 34a_100000724931_100012276630 [0,1,0,0,0,0|2,0,0]=3 596 B10R0.85 COC(=O)C(CO)NCCO 34a_100016990907_100012276630 [0,1,0,0,0,0|2,0,0]=3 597 B10R0.85 COC(=O)C(CO)OCCBr 34a_100000211926_100012276630 [0,1,0,0,0,0|2,0,0]=3 598 B10R0.85 COC(=O)C(CO)OCCN 34a_100000210304_100012276630 [0,1,0,0,0,0|2,0,0]=3 599 B10R0.85 COC(=O)C(CO)SCC#N 62a_100011215382_100012276630 [0,1,0,0,0,0|2,0,1]=4 600 B10R0.85 COC(=O)C(CO)SCC#N 62a_100012276630_100011215382 [0,1,0,0,0,0|2,0,1]=4 601 B10R0.85 COC(=O)C(CO)SCC=O 62a_100012276630_200015260668 [0,1,0,0,0,0|2,0,1]=4 602 B10R0.85 COC(=O)C(CO)SCC=O 62a_200015260668_100012276630 [0,1,0,0,0,0|2,0,1]=4 603 B10R0.85 COC(=O)C(CO)SCCF 62a_100011217306_100012276630 [0,1,0,0,0,0|2,0,0]=3 604 B10R0.85 COC(=O)C(CO)SCCF 62a_100012276630_100011217306 [0,1,0,0,0,0|2,0,0]=3 605 B10R0.85 COC(=O)C(CO)SCCO 62a_100000211926_100012276630 [0,1,0,0,0,0|2,0,0]=3 606 B10R0.85 COC(=O)C(CO)SCCO 62a_100012276630_100000211926 [0,1,0,0,0,0|2,0,0]=3 607 B10R0.85 COC(=O)C(CO)SCSC 62a_100011218213_100012276630 [0,1,0,0,0,0|2,0,0]=3 608 B10R0.85 COC(=O)C(CO)SCSC 62a_100012276630_100011218213 [0,1,0,0,0,0|2,0,0]=3 609 B10R0.85 COCSC(CO)C(=O)OC 62a_100000766300_100012276630 [0,1,0,0,0,0|2,0,0]=3 610 B10R0.85 COCSC(CO)C(=O)OC 62a_100012276630_100000766300 [0,1,0,0,0,0|2,0,0]=3 611 B10R0.86 C#CCCNC(CO)C(=O)O 269956a_100000187304_100000688953 [0,1,0,0,0,0|1,0,2]=4 612 B10R0.86 C#CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000688953 [0,1,0,0,0,0|1,0,2]=4 613 B10R0.86 C#CCCN[C@@H](CO)C(=O)N 34a_100000729942_100000688953 [0,1,0,0,0,0|1,0,2]=4 614 B10R0.86 C/C=C/CNC(CO)C(=O)O 269956a_100000187304_100102629194 [0,1,0,0,0,0|1,0,2]=4 615 B10R0.86 C/C=C/CN[C@@H](CO)C(=O)N 34a_100000729942_100102629194 [0,1,0,0,0,0|1,0,2]=4 616 B10R0.86 C=CCCNC(CO)C(=O)O 269956a_100000187304_100000754431 [0,1,0,0,0,0|1,0,2]=4 617 B10R0.86 C=CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000754431 [0,1,0,0,0,0|1,0,2]=4 618 B10R0.86 C=CCCN[C@@H](CO)C(=O)N 34a_100000729942_100000754431 [0,1,0,0,0,0|1,0,2]=4 619 B10R0.86 C=C[C@H](NCCCC)C(=O)O 269956a_100016992060_100000210211 [0,1,0,0,0,0|2,0,1]=4 620 B10R0.86 CC#CCNC(CO)C(=O)O 269956a_100000187304_100000748600 [0,1,0,0,0,0|1,0,2]=4 621 B10R0.86 CC#CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000748600 [0,1,0,0,0,0|1,0,2]=4 622 B10R0.86 CC#CCN[C@@H](CO)C(=O)N 34a_100000729942_100000748600 [0,1,0,0,0,0|1,0,2]=4 623 B10R0.86 CC(C)C(CO)CNCCF 34a_100000692819_100011217306 [0,1,0,0,0,0|2,0,1]=4 624 B10R0.86 CC(C)C(CO)CNCCO 34a_100000692819_100000211926 [0,1,0,0,0,0|2,0,1]=4 625 B10R0.86 CC(C)[C@H](CO)NCCCF 2230a_100011830312_100011934791 [0,1,0,0,0,0|2,0,1]=4 626 B10R0.86 CC(C)[C@H](CO)NCCCF 34a_100011830312_100011934791 [0,1,0,0,0,0|2,0,1]=4 627 B10R0.86 CC(C)[C@H](CO)NCCCO 2230a_100011830312_100000230001 [0,1,0,0,0,0|2,0,1]=4 628 B10R0.86 CC(C)[C@H](CO)NCCCO 34a_100011830312_100000230001 [0,1,0,0,0,0|2,0,1]=4 629 B10R0.86 CC=CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000070051 [0,1,0,0,0,0|1,0,2]=4 630 B10R0.86 CC=CCN[C@@H](CO)C(=O)N 34a_100000729942_100000070051 [0,1,0,0,0,0|1,0,2]=4 631 B10R0.86 CCC(NCCCF)C(=O)N 2230a_100000733705_100011934791 [0,1,0,0,0,0|3,0,0]=4 632 B10R0.86 CCC(NCCCF)C(=O)N 2230a_100015189416_100000750255 [0,1,0,0,0,0|3,0,0]=4 633 B10R0.86 CCC(NCCCF)C(=O)N 34a_100000733705_100011934791 [0,1,0,0,0,0|3,0,0]=4 634 B10R0.86 CCC(NCCCF)C(=O)N 34a_100015189416_100000750255 [0,1,0,0,0,0|3,0,0]=4 635 B10R0.86 CCC(NCCCO)C(=O)N 2230a_100000733705_100000230001 [0,1,0,0,0,0|3,0,0]=4 636 B10R0.86 CCC(NCCCO)C(=O)N 34a_100000733705_100000230001 [0,1,0,0,0,0|3,0,0]=4 637 B10R0.86 CCC(NCCOC)C(=O)N 2230a_100000209980_100000750255 [0,1,0,0,0,0|3,0,0]=4 638 B10R0.86 CCC(NCCOC)C(=O)N 2230a_100000733705_100011201679 [0,1,0,0,0,0|3,0,0]=4 639 B10R0.86 CCC(NCCOC)C(=O)N 34a_100000733705_100011201679 [0,1,0,0,0,0|3,0,0]=4 640 B10R0.86 CCC(NCCSC)C(=O)N 2230a_100000733705_100000751147 [0,1,0,0,0,0|3,0,0]=4 641 B10R0.86 CCC(NCCSC)C(=O)N 2230a_100020590264_100000750255 [0,1,0,0,0,0|3,0,0]=4 642 B10R0.86 CCC(NCCSC)C(=O)N 34a_100000733705_100000212216 [0,1,0,0,0,0|3,0,0]=4 643 B10R0.86 CCC(OCCCBr)C(=O)N 34a_100011217188_100000750255 [0,1,0,0,0,0|3,0,0]=4 644 B10R0.86 CCC(OCCCCl)C(=O)N 34a_100000230001_100000750255 [0,1,0,0,0,0|3,0,0]=4 645 B10R0.86 CCC(OCCCF)C(=O)N 34a_100000759539_100000750255 [0,1,0,0,0,0|3,0,0]=4 646 B10R0.86 CCC(OCCCN)C(=O)N 34a_100000182051_100000750255 [0,1,0,0,0,0|3,0,0]=4 647 B10R0.86 CCC(OCCOC)C(=O)N 34a_100000210237_100000750255 [0,1,0,0,0,0|3,0,0]=4 648 B10R0.86 CCC(OCCSC)C(=O)N 34a_100000230434_100000750255 [0,1,0,0,0,0|3,0,0]=4 649 B10R0.86 CCC(OCCSC)C(=O)N 7a_100000230434_100000750255 [0,1,0,0,0,0|3,0,0]=4 650 B10R0.86 CCC(SCCCF)C(=O)N 62a_100000750255_100011934791 [0,1,0,0,0,0|3,0,0]=4 651 B10R0.86 CCC(SCCCF)C(=O)N 62a_100011934791_100000750255 [0,1,0,0,0,0|3,0,0]=4 652 B10R0.86 CCC(SCCCO)C(=O)N 62a_100000750255_100011215043 [0,1,0,0,0,0|3,0,0]=4 653 B10R0.86 CCC(SCCCO)C(=O)N 62a_100011215043_100000750255 [0,1,0,0,0,0|3,0,0]=4 654 B10R0.86 CCC(SCCOC)C(=O)N 62a_100000233755_100000750255 [0,1,0,0,0,0|3,0,0]=4 655 B10R0.86 CCC(SCCOC)C(=O)N 62a_100000750255_100000233755 [0,1,0,0,0,0|3,0,0]=4 656 B10R0.86 CCC(SCCSC)C(=O)N 62a_100000212216_100000750255 [0,1,0,0,0,0|3,0,0]=4 657 B10R0.86 CCC(SCCSC)C(=O)N 62a_100000750255_100000751147 [0,1,0,0,0,0|3,0,0]=4 658 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,1,0,0,0,0|1,0,0]=2 659 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,1,0,0,0,0|1,0,0]=2 660 B10R0.86 CCCCCC(CC)N(C)C 270004a_100102631434_100011215316 [0,1,0,0,0,0|3,0,0]=4 661 B10R0.86 CCCCNC(C#N)C(=O)N 2230a_100000039599_100000210211 [0,1,0,0,0,0|2,0,1]=4 662 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000102301_100000750255 [0,1,0,0,0,0|2,0,0]=3 663 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000733705_100000210211 [0,1,0,0,0,0|2,0,0]=3 664 B10R0.86 CCCCNC(CC)C(=O)N 34a_100000733705_100000210210 [0,1,0,0,0,0|2,0,0]=3 665 B10R0.86 CCCCNC(CC)C(=O)N 7a_106832991798_100000750255 [0,1,0,0,0,0|2,0,0]=3 666 B10R0.86 CCCCNC(CC)C(C)C 270004a_100000102301_100000210600 [0,1,0,0,0,0|2,0,1]=4 667 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [0,1,0,0,0,0|1,0,0]=2 668 B10R0.86 CCCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210211 [0,1,0,0,0,0|1,0,2]=4 669 B10R0.86 CCCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210210 [0,1,0,0,0,0|1,0,2]=4 670 B10R0.86 CCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210211 [0,1,0,0,0,0|1,0,0]=2 671 B10R0.86 CCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210210 [0,1,0,0,0,0|1,0,0]=2 672 B10R0.86 CCCCN[C@@H](CO)C(C)C 2230a_100011830312_100000210211 [0,1,0,0,0,0|1,0,1]=3 673 B10R0.86 CCCCN[C@@H](CO)C(C)C 34a_100011830312_100000210210 [0,1,0,0,0,0|1,0,1]=3 674 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,1,0,0,0,0|2,0,0]=3 675 B10R0.86 CCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210211 [0,1,0,0,0,0|0,0,2]=3 676 B10R0.86 CCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210210 [0,1,0,0,0,0|0,0,2]=3 677 B10R0.86 CCCCOC(CC)C(=O)N 34a_100000210227_100000750255 [0,1,0,0,0,0|2,0,0]=3 678 B10R0.86 CCCCOC(CC)C(=O)N 7a_100000210227_100000750255 [0,1,0,0,0,0|2,0,0]=3 679 B10R0.86 CCCCOC(CC)C(C)C 34a_100011218073_100000210210 [0,1,0,0,0,0|2,0,1]=4 680 B10R0.86 CCCCOC(CC)C(C)C 7a_100011218073_100000210211 [0,1,0,0,0,0|2,0,1]=4 681 B10R0.86 CCCCOC(CN)C(C)C 34a_100000759067_100000210210 [0,1,0,0,0,0|2,0,1]=4 682 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000210211_100000750255 [0,1,0,0,0,0|2,0,0]=3 683 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000750255_100000210210 [0,1,0,0,0,0|2,0,0]=3 684 B10R0.86 CCCNCC(CC)C(C)C 269862a_100020643023_100011214906 [0,1,0,0,0,0|2,0,1]=4 685 B10R0.86 CCCNCC(CO)C(C)C 34a_100000692819_100000210303 [0,1,0,0,0,0|1,0,1]=3 686 B10R0.86 CCCOCC(CC)C(C)C 34a_100011995916_100000210303 [0,1,0,0,0,0|2,0,1]=4 687 B10R0.86 CCCOCC(CC)C(C)C 7a_100011995916_100000210303 [0,1,0,0,0,0|2,0,1]=4 688 B10R0.86 CCCOCC(CN)C(C)C 34a_100000692819_100000210303 [0,1,0,0,0,0|2,0,1]=4 689 B10R0.86 CCN(CCCCO)C(=O)C 240690a_100011217355_100015343762 [0,1,0,0,0,0|2,0,0]=3 690 B10R0.86 CCOCNC(CO)C(=O)O 269956a_100000187304_100000739092 [0,1,0,0,0,0|2,0,0]=3 691 B10R0.86 CCOCN[C@H](CC)C(=O)O 269956a_100000747097_100000739092 [0,1,0,0,0,0|3,0,0]=4 692 B10R0.86 CCOCSC(CC)C(=O)N 62a_100000739092_100000750255 [0,1,0,0,0,0|3,0,0]=4 693 B10R0.86 CCOCSC(CC)C(=O)N 62a_100000750255_100000739092 [0,1,0,0,0,0|3,0,0]=4 694 B10R0.86 CC[C@@H](NCCCF)C(=O)O 269956a_100000747097_100011934791 [0,1,0,0,0,0|3,0,0]=4 695 B10R0.86 CC[C@@H](NCCCO)C(=O)O 269956a_100000747097_100011215043 [0,1,0,0,0,0|3,0,0]=4 696 B10R0.86 CC[C@@H](NCCOC)C(=O)O 269956a_100000747097_100000233755 [0,1,0,0,0,0|3,0,0]=4 697 B10R0.86 CC[C@@H](NCCSC)C(=O)O 269956a_100000747097_100000212216 [0,1,0,0,0,0|3,0,0]=4 698 B10R0.86 COCCNC(CO)C(=O)O 269956a_100000187304_100000233755 [0,1,0,0,0,0|2,0,0]=3 699 B10R0.86 COCCN[C@@H](CO)C(=O)N 2230a_100000729942_100011201679 [0,1,0,0,0,0|2,0,0]=3 700 B10R0.86 COCCN[C@@H](CO)C(=O)N 34a_100000729942_100011201679 [0,1,0,0,0,0|2,0,0]=3 701 B10R0.86 COCCN[C@@H](CO)C(C)C 2230a_100011830312_100011201679 [0,1,0,0,0,0|2,0,1]=4 702 B10R0.86 COCCN[C@@H](CO)C(C)C 34a_100011830312_100011201679 [0,1,0,0,0,0|2,0,1]=4 703 B10R0.86 COCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011201679 [0,1,0,0,0,0|1,0,2]=4 704 B10R0.86 COCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100011201679 [0,1,0,0,0,0|1,0,2]=4 705 B10R0.86 CSCCNC(CO)C(=O)O 269956a_100000187304_100000212216 [0,1,0,0,0,0|2,0,0]=3 706 B10R0.86 CSCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000751147 [0,1,0,0,0,0|2,0,0]=3 707 B10R0.86 CSCCN[C@@H](CO)C(=O)N 34a_100000729942_100000212216 [0,1,0,0,0,0|2,0,0]=3 708 B10R0.86 CSCCN[C@@H](CO)C(C)C 2230a_100011830312_100000751147 [0,1,0,0,0,0|2,0,1]=4 709 B10R0.86 CSCCN[C@@H](CO)C(C)C 34a_100011830312_100000212216 [0,1,0,0,0,0|2,0,1]=4 710 B10R0.86 CSCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000751147 [0,1,0,0,0,0|1,0,2]=4 711 B10R0.86 CSCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000212216 [0,1,0,0,0,0|1,0,2]=4 712 B10R0.86 CSCNCC(CO)C(C)C 34a_100000692819_100011218213 [0,1,0,0,0,0|2,0,1]=4 713 B10R0.86 C[C@@H](O)[C@@H](CO)NCCCF 2230a_100015196842_100011934791 [0,1,0,0,0,0|1,0,2]=4 714 B10R0.86 C[C@@H](O)[C@@H](CO)NCCCF 34a_100015196842_100011934791 [0,1,0,0,0,0|1,0,2]=4 715 B10R0.86 C[C@@H](O)[C@@H](CO)NCCCO 2230a_100015196842_100000230001 [0,1,0,0,0,0|1,0,2]=4 716 B10R0.86 C[C@@H](O)[C@@H](CO)NCCCO 34a_100015196842_100000230001 [0,1,0,0,0,0|1,0,2]=4 717 B10R0.86 N#CCCNC(CO)C(=O)O 269956a_100000187304_100011215226 [0,1,0,0,0,0|2,0,1]=4 718 B10R0.86 N#CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100011215226 [0,1,0,0,0,0|2,0,1]=4 719 B10R0.86 NC(=O)[C@H](CO)NCCCF 2230a_100000729942_100011934791 [0,1,0,0,0,0|2,0,0]=3 720 B10R0.86 NC(=O)[C@H](CO)NCCCF 34a_100000729942_100011934791 [0,1,0,0,0,0|2,0,0]=3 721 B10R0.86 NC(=O)[C@H](CO)NCCCO 2230a_100000729942_100000230001 [0,1,0,0,0,0|2,0,0]=3 722 B10R0.86 NC(=O)[C@H](CO)NCCCO 34a_100000729942_100000230001 [0,1,0,0,0,0|2,0,0]=3 723 B10R0.86 O=C(O)C(CO)NCCCF 269956a_100000187304_100011934791 [0,1,0,0,0,0|2,0,0]=3 724 B10R0.86 O=C(O)C(CO)NCCCO 269956a_100000187304_100011215043 [0,1,0,0,0,0|2,0,0]=3 725 B10R0.88 C#CCN(CCOC)C(=O)C 11a_100000223814_100015343762 [0,1,0,0,0,0|3,0,0]=4 726 B10R0.88 C#CCN(CCOC)C(=O)C 1626a_100000223814_100015343762 [0,1,0,0,0,0|3,0,0]=4 727 B10R0.88 C#CCN(CCOC)C(=O)C 240690a_100000223814_100015343762 [0,1,0,0,0,0|3,0,0]=4 728 B10R0.88 C#CCN(CCOC)C(=O)C 527a_100000223814_100103153847 [0,1,0,0,0,0|3,0,0]=4 729 B10R0.88 CC(=O)N(CCO)CCCO 240690a_200000212863_100015343762 [0,1,0,0,0,0|2,0,0]=3 730 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [0,1,0,0,0,0|1,0,0]=2 731 B10R0.88 CCCCC(CCC)N(C)C 269982a_100102631434_100000211913 [0,1,0,0,0,0|3,0,0]=4 732 B10R0.88 CCCCC(NCC)C(=O)N 2230a_100015525214_100000748834 [0,1,0,0,0,0|2,0,0]=3 733 B10R0.88 CCCCC(NCC)C(C)C 270004a_100015525214_200011215219 [0,1,0,0,0,0|2,0,1]=4 734 B10R0.88 CCCCC(OCC)C(=O)N 34a_100121572206_100000748834 [0,1,0,0,0,0|2,0,0]=3 735 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000210202_100000748834 [0,1,0,0,0,0|2,0,0]=3 736 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000748834_100000210202 [0,1,0,0,0,0|2,0,0]=3 737 B10R0.88 CCCCC(SCF)C(=O)N 62a_100000748834_100015361967 [0,1,0,0,0,0|2,0,0]=3 738 B10R0.88 CCCCC(SCF)C(=O)N 62a_100015361967_100000748834 [0,1,0,0,0,0|2,0,0]=3 739 B10R0.88 CCCCN(CC#N)C(=O)C 11a_200011192266_100015343762 [0,1,0,0,0,0|2,0,0]=3 740 B10R0.88 CCCCN(CC#N)C(=O)C 1626a_200011192266_100015343762 [0,1,0,0,0,0|2,0,0]=3 741 B10R0.88 CCCCN(CC#N)C(=O)C 240690a_200011192266_100015343762 [0,1,0,0,0,0|2,0,0]=3 742 B10R0.88 CCCCN(CCC)C(=O)C 11a_200000207744_100015343762 [0,1,0,0,0,0|2,0,0]=3 743 B10R0.88 CCCCN(CCC)C(=O)C 1626a_200000207744_100015343762 [0,1,0,0,0,0|2,0,0]=3 744 B10R0.88 CCCCN(CCC)C(=O)C 240690a_200000207744_100015343762 [0,1,0,0,0,0|2,0,0]=3 745 B10R0.88 CCCCN(CCC)C(=O)C 527a_200000207744_100103153847 [0,1,0,0,0,0|2,0,0]=3 746 B10R0.88 CCCCN(CCO)C(=O)C 240690a_100000198060_100015343762 [0,1,0,0,0,0|1,0,0]=2 747 B10R0.88 CCCCN(CCO)C(C)C 2230a_100000198060_100000210206 [0,1,0,0,0,0|2,0,1]=4 748 B10R0.88 CCCCN(CCO)C(C)C 2230a_100000207398_100000211926 [0,1,0,0,0,0|2,0,1]=4 749 B10R0.88 CCCCN(CCO)C(C)C 2230a_100000224655_100000210211 [0,1,0,0,0,0|2,0,1]=4 750 B10R0.88 CCCCN(CCO)C(C)C 269982a_100000198060_100000210206 [0,1,0,0,0,0|2,0,1]=4 751 B10R0.88 CCCCN(CCO)C(C)C 269982a_100000207398_100000211926 [0,1,0,0,0,0|2,0,1]=4 752 B10R0.88 CCCCN(CCO)C(C)C 269982a_100000224655_100000210211 [0,1,0,0,0,0|2,0,1]=4 753 B10R0.88 CCCCN(COC)C(C)C 2230a_100000207398_100000766300 [0,1,0,0,0,0|2,0,1]=4 754 B10R0.88 CCCCN(COC)C(C)C 269982a_100000207398_100000766300 [0,1,0,0,0,0|2,0,1]=4 755 B10R0.88 CCCC[C@H](NCC)C(=O)N 2230a_100000124899_100000210202 [0,1,0,0,0,0|2,0,0]=3 756 B10R0.88 CCCC[C@H](NCC)C(=O)N 34a_100000124899_100000210202 [0,1,0,0,0,0|2,0,0]=3 757 B10R0.88 CCCC[C@H](NCF)C(=O)N 34a_100000124899_100015361967 [0,1,0,0,0,0|2,0,0]=3 758 B10R0.88 CCCN(CCOC)C(=O)C 11a_200011192371_100015343762 [0,1,0,0,0,0|3,0,0]=4 759 B10R0.88 CCCN(CCOC)C(=O)C 1626a_200011192371_100015343762 [0,1,0,0,0,0|3,0,0]=4 760 B10R0.88 CCCN(CCOC)C(=O)C 240690a_200011192371_100015343762 [0,1,0,0,0,0|3,0,0]=4 761 B10R0.88 CCCN(CCOC)C(=O)C 527a_200011192371_100103153847 [0,1,0,0,0,0|3,0,0]=4 762 B10R0.88 CCCNC(CCO)C(C)C 2230a_100161115045_100000210303 [0,1,0,0,0,0|2,0,1]=4 763 B10R0.88 CCCNC(CCO)C(C)C 34a_100161115045_100000210303 [0,1,0,0,0,0|2,0,1]=4 764 B10R0.88 CCCNC(COC)C(C)C 2230a_100000760233_100000210303 [0,1,0,0,0,0|2,0,1]=4 765 B10R0.88 CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210303 [0,1,0,0,0,0|3,0,0]=4 766 B10R0.88 CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210303 [0,1,0,0,0,0|3,0,0]=4 767 B10R0.88 CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210207 [0,1,0,0,0,0|3,0,0]=4 768 B10R0.88 CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210207 [0,1,0,0,0,0|2,1,0]=4 769 B10R0.88 CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210207 [0,1,0,0,0,0|2,1,0]=4 770 B10R0.88 CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210207 [0,1,0,0,0,0|2,0,0]=3 771 B10R0.88 CCCOC(CCC)C(=O)N 34a_100011626294_100000210303 [0,1,0,0,0,0|3,0,0]=4 772 B10R0.88 CCCOC(CCC)C(=O)N 7a_100011626294_100000210303 [0,1,0,0,0,0|3,0,0]=4 773 B10R0.88 CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210202 [0,1,0,0,0,0|3,0,0]=4 774 B10R0.88 CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210202 [0,1,0,0,0,0|3,0,0]=4 775 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [0,1,0,0,0,0|3,0,0]=4 776 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [0,1,0,0,0,0|3,0,0]=4 777 B10R0.88 COCCN(CC#N)C(=O)C 11a_100011199603_100015343762 [0,1,0,0,0,0|3,0,0]=4 778 B10R0.88 COCCN(CC#N)C(=O)C 1626a_100011199603_100015343762 [0,1,0,0,0,0|3,0,0]=4 779 B10R0.88 COCCN(CC#N)C(=O)C 240690a_100011199603_100015343762 [0,1,0,0,0,0|3,0,0]=4 780 B10R0.88 COCN[C@H](COC)C(=O)O 269956a_100011998655_100000766300 [0,1,0,0,0,0|3,0,0]=4 781 B10R0.88 COC[C@@H](NCCF)C(=O)O 269956a_100011998655_100011217306 [0,1,0,0,0,0|3,0,0]=4 782 B10R0.88 COC[C@@H](NCCO)C(=O)O 269956a_100011998655_100000211926 [0,1,0,0,0,0|3,0,0]=4 783 B10R0.88 COC[C@@H](NCSC)C(=O)O 269956a_100011998655_100011218213 [0,1,0,0,0,0|3,0,0]=4 784 B10R0.88 CSCC[C@H](NCF)C(=O)N 34a_100000119342_100015361967 [0,1,0,0,0,0|3,0,0]=4 785 B10R0.88 CSCC[C@H](NCF)C(=O)O 269956a_100000743919_100015361967 [0,1,0,0,0,0|3,0,0]=4 786 B10R0.88 C[Se]CC[C@H](NCF)C(=O)O 269956a_100020619752_100015361967 [0,1,0,0,0,0|3,0,0]=4 787 B10R0.101 CCCC(=O)C(CC)C(=O)N 1458a_100000211992_100000750255 [0,1,0,0,0,0|2,0,1]=4 788 B10R0.101 CCCN(C)C(CC)C(=O)N 2230a_100000747261_100000750255 [0,1,0,0,0,0|3,0,0]=4 789 B10R0.101 CCCN(C)C(CC)C(=O)N 269982a_100000747261_100000750255 [0,1,0,0,0,0|3,0,0]=4 790 B10R0.101 CCCN(C)[C@@H](CC)C(=O)N 2230a_103436537554_100000210303 [0,1,0,0,0,0|3,0,0]=4 791 B10R0.101 CCCN(C)[C@@H](CC)C(=O)N 269982a_103436537554_100000210303 [0,1,0,0,0,0|3,0,0]=4 792 B10R0.101 CCCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210207 [0,1,0,0,0,0|2,0,0]=3 793 B10R0.101 CCC[C@@H](N)C(OC)C(=O)N 34a_200132311066_200000210301 [0,1,0,0,0,0|3,0,0]=4 794 B10R0.101 CCC[C@@H](N)C(O[13CH3])C(=O)N 34a_200132311066_200025704644 [0,1,0,0,0,0|3,0,0]=4 795 B10R0.101 CCN(C(=O)C)C(C)CCO 240690a_100011935059_100015343762 [0,1,0,0,0,0|3,0,0]=4 796 B10R0.101 CCN(C(=O)C)C(C)CCO 527a_100011935059_100103153847 [0,1,0,0,0,0|3,0,0]=4 797 B10R0.101 CCOC(=O)C(CC)C(=O)C 1458a_100000070787_100000212269 [0,1,0,0,0,0|2,0,1]=4 798 B10R0.101 CN(CCF)[C@@H](CO)C(=O)O 269956a_100015362447_100011217306 [0,1,0,0,0,0|3,0,0]=4 799 B10R0.101 CN(CCO)[C@@H](CO)C(=O)O 269956a_100015362447_100000211926 [0,1,0,0,0,0|3,0,0]=4 800 B10R0.101 COCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000766300 [0,1,0,0,0,0|3,0,0]=4 801 B10R0.101 CSCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100011218213 [0,1,0,0,0,0|3,0,0]=4 802 B10R0.110 CCCCN(CC)S(=O)(=O)C 40a_100000207695_100000738038 [0,1,0,0,0,0|3,0,0]=4 803 B10R0.110 CCCN[C@H](CO)C(C)(C)C 2230a_100000763378_100000210303 [0,1,0,0,0,0|2,0,1]=4 804 B10R0.133 CCCNC(C)(CC)C(=O)O 269956a_100025756313_100000210207 [0,1,0,0,0,0|3,0,0]=4 805 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,0,0,1,0,0|1,0,2]=4 806 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,0,0,1,0,0|1,0,2]=4 807 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,0,0,1,0,0|1,0,1]=3 808 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,0,0,1,0,0|2,0,1]=4 809 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,0,0,1,0,0|1,0,0]=2 810 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,0,0,1,0,0|2,0,0]=3 811 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [0,0,0,1,0,0|2,0,0]=3 812 B10R1.13 CC(=O)N1CC=C(CC1)C 11a_100000693516_100015343762 [0,0,0,1,0,0|2,0,1]=4 813 B10R1.13 CC(=O)N1CC=C(CC1)C 1626a_100000693516_100015343762 [0,0,0,1,0,0|2,0,1]=4 814 B10R1.13 CC(=O)N1CC=C(CC1)C 240690a_100000693516_100015343762 [0,0,0,1,0,0|2,0,1]=4 815 B10R1.13 CC(=O)N1CC=C(CC1)C 527a_100000693516_100103153847 [0,0,0,1,0,0|2,0,1]=4 816 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,0,0,1,0,0|2,0,0]=3 817 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,0,0,1,0,0|2,0,0]=3 818 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [0,0,0,1,0,0|3,0,0]=4 819 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [0,0,0,1,0,0|3,0,0]=4 820 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [0,0,0,1,0,0|3,0,0]=4 821 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [0,0,0,1,0,0|3,0,0]=4 822 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [0,0,0,1,0,0|3,0,0]=4 823 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [0,0,0,1,0,0|3,0,0]=4 824 B10R1.13 CC(=O)N1CCN(CC1)C 11a_100000188432_100015343762 [0,0,0,1,0,0|3,0,0]=4 825 B10R1.13 CC(=O)N1CCN(CC1)C 2230a_100000210354_200000210301 [0,0,0,1,0,0|3,0,0]=4 826 B10R1.13 CC(=O)N1CCN(CC1)C 240690a_100000188432_100015343762 [0,0,0,1,0,0|3,0,0]=4 827 B10R1.13 CC(=O)N1CCN(CC1)C 269982a_100000210354_200000210301 [0,0,0,1,0,0|3,0,0]=4 828 B10R1.13 CC(=O)N1CCN(CC1)C 527a_100000188432_100103153847 [0,0,0,1,0,0|3,0,0]=4 829 B10R1.13 CC(=O)N1CCN(CC1)[13CH3] 2230a_100000210354_200025704644 [0,0,0,1,0,0|3,0,0]=4 830 B10R1.13 CC(=O)N1CCN(CC1)[13CH3] 269982a_100000210354_200025704644 [0,0,0,1,0,0|3,0,0]=4 831 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,0,0,1,0,0|1,0,0]=2 832 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,0,0,1,0,0|1,0,1]=3 833 B10R1.13 CC1CCC(CC1)N(C)C 269982a_100102631434_200011216234 [0,0,0,1,0,0|3,0,0]=4 834 B10R1.13 CC1CCC(CC1)N(C)C 270004a_100102631434_100000185489 [0,0,0,1,0,0|3,0,0]=4 835 B10R1.13 CN1CCC(CC1)C(=O)N 2230a_100000210938_200000210301 [0,0,0,1,0,0|3,0,0]=4 836 B10R1.13 CN1CCC(CC1)C(=O)N 269982a_100000210938_200000210301 [0,0,0,1,0,0|3,0,0]=4 837 B10R1.13 CN1CCC(CC1)C(=O)N 34a_100000210938_200000210301 [0,0,0,1,0,0|3,0,0]=4 838 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,0,0,1,0,0|3,0,0]=4 839 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [0,0,0,1,0,0|2,0,0]=3 840 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,0,0,1,0,0|1,0,0]=2 841 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,0,0,1,0,0|2,0,1]=4 842 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,0,0,1,0,0|2,0,0]=3 843 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 2230a_100000210938_200025704644 [0,0,0,1,0,0|3,0,0]=4 844 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 269982a_100000210938_200025704644 [0,0,0,1,0,0|3,0,0]=4 845 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 34a_100000210938_200025704644 [0,0,0,1,0,0|3,0,0]=4 846 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,0,0,1,0,0|3,0,0]=4 847 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,0,0,1,0,0|2,0,0]=3 848 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,0,0,1,0,0|3,0,0]=4 849 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,0,0,1,0,0|3,0,0]=4 850 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,0,0,1,0,0|3,0,0]=4 851 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,0,0,1,0,0|3,0,0]=4 852 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,0,0,1,0,0|2,0,0]=3 853 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,0,0,1,0,0|2,0,0]=3 854 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,0,0,1,0,0|3,0,0]=4 855 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,0,0,1,0,0|3,0,0]=4 856 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,0,0,1,0,0|3,0,0]=4 857 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,0,0,1,0,0|3,0,0]=4 858 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,0,0,1,0,0|2,0,0]=3 859 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,0,0,1,0,0|2,0,0]=3 860 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,0,0,1,0,0|3,0,0]=4 861 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,0,0,1,0,0|3,0,0]=4 862 B10R1.25 CCN1CCN(CC1=O)C 2230a_100000701330_200000210301 [0,0,0,1,0,0|3,0,0]=4 863 B10R1.25 CCN1CCN(CC1=O)C 269982a_100000701330_200000210301 [0,0,0,1,0,0|3,0,0]=4 864 B10R1.25 CCN1CCN(CC1=O)[13CH3] 2230a_100000701330_200025704644 [0,0,0,1,0,0|3,0,0]=4 865 B10R1.25 CCN1CCN(CC1=O)[13CH3] 269982a_100000701330_200025704644 [0,0,0,1,0,0|3,0,0]=4 866 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [0,0,0,1,0,0|3,0,0]=4 867 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [0,0,0,1,0,0|3,0,0]=4 868 B10R1.29 CCCN[C@@H]1CONC1=O 2230a_100000765999_100000210303 [0,0,0,1,0,0|2,0,0]=3 869 B10R1.29 CCCN[C@@H]1CONC1=O 34a_100000765999_100000210303 [0,0,0,1,0,0|2,0,0]=3 870 B10R1.29 CCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210303 [0,0,0,1,0,0|1,0,2]=4 871 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,0,0,1,0,0|2,0,0]=3 872 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,0,0,1,0,0|2,0,0]=3 873 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,0,0,1,0,0|3,0,0]=4 874 B10R1.29 CCCOC1COCC1O 34a_100000210258_200000725654 [0,0,0,1,0,0|1,0,2]=4 875 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [0,0,0,1,0,0|3,0,0]=4 876 B10R1.29 CCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210303 [0,0,0,1,0,0|2,0,1]=4 877 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,0,0,1,0,0|2,0,0]=3 878 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,0,0,1,0,0|2,0,0]=3 879 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,0,0,1,0,0|3,0,0]=4 880 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,0,0,1,0,0|3,0,0]=4 881 B10R1.29 CCCSC1COCC1O 62a_100000210303_200000725654 [0,0,0,1,0,0|1,0,2]=4 882 B10R1.29 CCCSC1COCC1O 62a_200000725654_100000210303 [0,0,0,1,0,0|1,0,2]=4 883 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [0,0,0,1,0,0|3,0,0]=4 884 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [0,0,0,1,0,0|3,0,0]=4 885 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [0,0,0,1,0,0|3,0,0]=4 886 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [0,0,0,1,0,0|3,0,0]=4 887 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [0,0,0,1,0,0|3,0,0]=4 888 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [0,0,0,1,0,0|3,0,0]=4 889 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [0,0,0,1,0,0|3,0,0]=4 890 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [0,0,0,1,0,0|3,0,0]=4 891 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [0,0,0,1,0,0|3,0,0]=4 892 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [0,0,0,1,0,0|3,0,0]=4 893 B10R1.29 COCN[C@@H]1CONC1=O 2230a_100000765999_100000766300 [0,0,0,1,0,0|3,0,0]=4 894 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [0,0,0,1,0,0|3,0,0]=4 895 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [0,0,0,1,0,0|3,0,0]=4 896 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [0,0,0,1,0,0|3,0,0]=4 897 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [0,0,0,1,0,0|3,0,0]=4 898 B10R1.29 CSCN[C@@H]1CONC1=O 2230a_100000765999_100011218213 [0,0,0,1,0,0|3,0,0]=4 899 B10R1.29 CSCN[C@@H]1CONC1=O 34a_100000765999_100011218213 [0,0,0,1,0,0|3,0,0]=4 900 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [0,0,0,1,0,0|3,0,0]=4 901 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [0,0,0,1,0,0|3,0,0]=4 902 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [0,0,0,1,0,0|3,0,0]=4 903 B10R1.29 NCCOC1CCCC1=O 34a_100000210304_100000709159 [0,0,0,1,0,0|3,0,0]=4 904 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [0,0,0,1,0,0|3,0,0]=4 905 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [0,0,0,1,0,0|3,0,0]=4 906 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [0,0,0,1,0,0|3,0,0]=4 907 B10R1.29 O=C1CCCC1OCCBr 34a_100000211926_100000709159 [0,0,0,1,0,0|3,0,0]=4 908 B10R1.29 O=C1CCCC1OCCF 34a_200000719330_100011217306 [0,0,0,1,0,0|3,0,0]=4 909 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [0,0,0,1,0,0|3,0,0]=4 910 B10R1.29 O=C1CCCC1SCCF 62a_100000211823_100011217306 [0,0,0,1,0,0|3,0,0]=4 911 B10R1.29 O=C1CCCC1SCCF 62a_100011217306_100000211823 [0,0,0,1,0,0|3,0,0]=4 912 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [0,0,0,1,0,0|3,0,0]=4 913 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [0,0,0,1,0,0|3,0,0]=4 914 B10R1.29 O=C1NOC[C@H]1NCCF 2230a_100000765999_100011217306 [0,0,0,1,0,0|3,0,0]=4 915 B10R1.29 O=C1NOC[C@H]1NCCF 34a_100000765999_100011217306 [0,0,0,1,0,0|3,0,0]=4 916 B10R1.29 O=C1NOC[C@H]1NCCO 2230a_100000765999_100000211926 [0,0,0,1,0,0|3,0,0]=4 917 B10R1.29 O=C1NOC[C@H]1NCCO 34a_100000765999_100000211926 [0,0,0,1,0,0|3,0,0]=4 918 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [0,0,0,1,0,0|3,0,0]=4 919 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [0,0,0,1,0,0|3,0,0]=4 920 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [0,0,0,1,0,0|3,0,0]=4 921 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [0,0,0,1,0,0|3,0,0]=4 922 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [0,0,0,1,0,0|3,0,0]=4 923 B10R1.31 CC(=O)N1CCC(C1)CO 240690a_100000748654_100015343762 [0,0,0,1,0,0|3,0,0]=4 924 B10R1.31 CC(=O)N1CCC(C1)CO 527a_100000748654_100103153847 [0,0,0,1,0,0|3,0,0]=4 925 B10R1.31 CC(=O)N1CCC(C1)N[13CH3] 2230a_100000705975_200025704644 [0,0,0,1,0,0|3,0,0]=4 926 B10R1.31 CC(=O)N1CC[C@@H](C1)O[13CH3] 7a_100012000934_200025704644 [0,0,0,1,0,0|3,0,0]=4 927 B10R1.31 CCC1=NOC(C1)C(=O)C 1458a_100000763699_200000210301 [0,0,0,1,0,0|2,0,1]=4 928 B10R1.31 CCC1=NOC(C1)C(=O)[13CH3] 1458a_100000763699_200025704644 [0,0,0,1,0,0|2,0,1]=4 929 B10R1.31 CCC1CCC(C1)N(C)C 270004a_100102631434_100011218773 [0,0,0,1,0,0|3,0,0]=4 930 B10R1.31 CCN1CCC(C1)C(=O)C 1458a_100103286618_200000210301 [0,0,0,1,0,0|2,0,0]=3 931 B10R1.31 CCN1CCC(C1)C(=O)N 2230a_100000752358_100000210202 [0,0,0,1,0,0|3,0,0]=4 932 B10R1.31 CCN1CCC(C1)C(=O)N 269982a_100000752358_100000204670 [0,0,0,1,0,0|3,0,0]=4 933 B10R1.31 CCN1CCC(C1)C(=O)N 34a_100000752358_100000210202 [0,0,0,1,0,0|3,0,0]=4 934 B10R1.31 CCN1CCC(C1)C(=O)[13CH3] 1458a_100103286618_200025704644 [0,0,0,1,0,0|2,0,0]=3 935 B10R1.31 CNC1CCN(C1)C(=O)C 2230a_100000705975_200000210301 [0,0,0,1,0,0|3,0,0]=4 936 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,0,0,1,0,0|3,0,0]=4 937 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 11a_100000766984_100015343762 [0,0,0,1,0,0|3,0,0]=4 938 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 1626a_100000766984_100015343762 [0,0,0,1,0,0|3,0,0]=4 939 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 240690a_100000766984_100015343762 [0,0,0,1,0,0|3,0,0]=4 940 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 527a_100000766984_100103153847 [0,0,0,1,0,0|3,0,0]=4 941 B10R1.31 CO[C@H]1CCN(C1)C(=O)C 7a_100012000934_200000210301 [0,0,0,1,0,0|3,0,0]=4 942 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]=4 943 B10R1.35 CCN1CC(CC1=O)NC 2230a_100015184948_200000210301 [0,0,0,1,0,0|3,0,0]=4 944 B10R1.35 CCN1CC(CC1=O)NC 34a_100015184948_200000210301 [0,0,0,1,0,0|3,0,0]=4 945 B10R1.35 CCN1CC(CC1=O)N[13CH3] 2230a_100015184948_200025704644 [0,0,0,1,0,0|3,0,0]=4 946 B10R1.35 CCN1CC(CC1=O)N[13CH3] 34a_100015184948_200025704644 [0,0,0,1,0,0|3,0,0]=4 947 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,0,0,1,0,0|0,0,2]=3 948 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,0,0,1,0,0|1,0,0]=2 949 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,0,0,1,0,0|0,0,0]=1 950 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,0,0,1,0,0|1,0,2]=4 951 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,0,0,1,0,0|1,0,2]=4 952 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,0,0,1,0,0|1,0,2]=4 953 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,0,0,1,0,0|2,0,0]=3 954 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,0,0,1,0,0|2,0,0]=3 955 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,0,0,1,0,0|2,0,0]=3 956 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,0,0,1,0,0|2,0,0]=3 957 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [0,0,0,1,0,0|3,0,0]=4 958 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [0,0,0,1,0,0|3,0,0]=4 959 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [0,0,0,1,0,0|3,0,0]=4 960 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,0,0,1,0,0|2,0,0]=3 961 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,0,0,1,0,0|1,0,0]=2 962 B10R1.61 CC1CCCCC1N(C)C 270004a_100102631434_100000210921 [0,0,0,1,0,0|3,0,0]=4 963 B10R1.61 CN(C)C1CCCCC1F 269982a_100102631434_100015423560 [0,0,0,1,0,0|3,0,0]=4 964 B10R1.61 CN(C)C1CCCCC1O 269982a_100102631434_100000038908 [0,0,0,1,0,0|2,0,0]=3 965 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_200000210301 [0,0,0,1,0,0|2,0,0]=3 966 B10R1.61 CN([13CH3])[C@@H]1CCCC[C@H]1O 269982a_100000708425_200025704644 [0,0,0,1,0,0|2,0,0]=3 967 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,0,0,1,0,0|3,0,0]=4 968 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,0,0,1,0,0|3,0,0]=4 969 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,0,0,1,0,0|3,0,0]=4 970 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,0,0,1,0,0|3,0,0]=4 971 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,0,0,1,0,0|2,0,0]=3 972 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,0,0,1,0,0|0,0,0]=1 973 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,0,0,1,0,0|1,0,2]=4 974 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,0,0,1,0,0|3,0,0]=4 975 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,0,0,1,0,0|3,0,0]=4 976 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,0,0,1,0,0|3,0,0]=4 977 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,0,0,1,0,0|3,0,0]=4 978 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,0,0,1,0,0|3,0,0]=4 979 B10R1.86 COCC1CCN1C(=O)C 11a_100015195929_100015343762 [0,0,0,1,0,0|3,0,0]=4 980 B10R1.86 COCC1CCN1C(=O)C 1626a_100015195929_100015343762 [0,0,0,1,0,0|3,0,0]=4 981 B10R1.86 COCC1CCN1C(=O)C 240690a_100015195929_100015343762 [0,0,0,1,0,0|3,0,0]=4 982 B10R1.86 COCC1CCN1C(=O)C 527a_100015195929_100103153847 [0,0,0,1,0,0|3,0,0]=4 983 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000070787_100000755940 [0,0,0,1,0,0|1,0,2]=4 984 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000137746_200000210301 [0,0,0,1,0,0|1,0,2]=4 985 B10R1.194 CN1CCC(C1=O)C(=O)[13CH3] 1458a_100000137746_200025704644 [0,0,0,1,0,0|1,0,2]=4 986 B10R1.195 CCCN[C@@H](CO)C1CC1 2230a_100020623730_100000210303 [0,0,0,1,0,0|2,0,1]=4 987 B10R1.195 CCCN[C@@H](CO)C1CC1 34a_100020623730_100000210303 [0,0,0,1,0,0|2,0,1]=4 988 B10R1.219 CCC(C(=O)N)N1CCC1 269982a_100000754969_100000750255 [0,0,0,1,0,0|3,0,0]=4 989 B10R1.219 CCN(C(=O)C)C1CCC1 11a_100000758130_100015343762 [0,0,0,1,0,0|2,0,0]=3 990 B10R1.219 CCN(C(=O)C)C1CCC1 1626a_100000758130_100015343762 [0,0,0,1,0,0|2,0,0]=3 991 B10R1.219 CCN(C(=O)C)C1CCC1 240690a_100000758130_100015343762 [0,0,0,1,0,0|2,0,0]=3 992 B10R1.219 CCN(C(=O)C)C1CCC1 527a_100000758130_100103153847 [0,0,0,1,0,0|2,0,0]=3 993 B10R1.219 CCN(C(=O)C)C1COC1 11a_200015199590_100015343762 [0,0,0,1,0,0|3,0,0]=4 994 B10R1.219 CCN(C(=O)C)C1COC1 1626a_200015199590_100015343762 [0,0,0,1,0,0|3,0,0]=4 995 B10R1.219 CNC(C(=O)O)C1CCC1 269956a_100000765838_200000210301 [0,0,0,1,0,0|3,0,0]=4 996 B10R1.219 [13CH3]NC(C(=O)O)C1CCC1 269956a_100000765838_200025704644 [0,0,0,1,0,0|3,0,0]=4 997 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,0,0,1,0,0|1,0,2]=4 998 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,1,0,0|1,0,0]=2 999 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,1,0,0|1,0,0]=2 1000 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,0,0,1,0,0|2,0,0]=3 1001 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,0,0,1,0,0|2,0,0]=3 1002 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,0,0,1,0,0|2,0,0]=3 1003 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,0,0,1,0,0|2,0,0]=3 1004 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,0,0,1,0,0|3,0,0]=4 1005 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,0,0,1,0,0|3,0,0]=4 1006 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,0,0,1,0,0|3,0,0]=4 1007 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,0,0,1,0,0|3,0,0]=4 1008 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [0,0,0,1,0,0|3,0,0]=4 1009 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [0,0,0,1,0,0|3,0,0]=4 1010 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [0,0,0,1,0,0|3,0,0]=4 1011 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [0,0,0,1,0,0|3,0,0]=4 1012 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [0,0,0,1,0,0|3,0,0]=4 1013 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [0,0,0,1,0,0|3,0,0]=4 1014 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [0,0,0,1,0,0|3,0,0]=4 1015 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [0,0,0,1,0,0|3,0,0]=4 1016 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,0,0,1,0,0|1,0,2]=4 1017 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,1,0,0|1,0,0]=2 1018 B10R1.437 CC(=O)C1(CC1)SCCF 62a_100000086384_100011217306 [0,0,0,1,0,0|3,0,0]=4 1019 B10R1.437 CC(=O)C1(CC1)SCCF 62a_100011217306_100000086384 [0,0,0,1,0,0|3,0,0]=4 1020 B10R1.437 CC(=O)C1(CC1)SCCO 62a_100000086384_100000211926 [0,0,0,1,0,0|3,0,0]=4 1021 B10R1.437 CC(=O)C1(CC1)SCCO 62a_100000211926_100000086384 [0,0,0,1,0,0|3,0,0]=4 1022 B10R1.437 CCCNC1(CC1)C(=O)N 2230a_100000687655_100000210303 [0,0,0,1,0,0|3,0,0]=4 1023 B10R1.437 CCCNC1(CC1)C(=O)O 269956a_100000746478_100000210207 [0,0,0,1,0,0|3,0,0]=4 1024 B10R1.437 CCCOC1(CC1)C(=O)N 34a_100000210258_100010760883 [0,0,0,1,0,0|3,0,0]=4 1025 B10R1.437 CCCSC1(CC1)C(=O)C 62a_100000086384_100000210303 [0,0,0,1,0,0|2,0,0]=3 1026 B10R1.437 CCCSC1(CC1)C(=O)C 62a_100000210303_100000086384 [0,0,0,1,0,0|2,0,0]=3 1027 B10R1.437 CCCSC1(CC1)C(=O)N 62a_100000210303_100010760883 [0,0,0,1,0,0|3,0,0]=4 1028 B10R1.437 CCCSC1(CC1)C(=O)N 62a_100010760883_100000210303 [0,0,0,1,0,0|3,0,0]=4 1029 B10R1.437 CCNCC1(CC1)C(=O)O 269956a_100000703410_100000210202 [0,0,0,1,0,0|3,0,0]=4 1030 B10R1.437 CCOCC1(CC1)C(=O)N 34a_100000117830_100000210202 [0,0,0,1,0,0|3,0,0]=4 1031 B10R1.437 CCOCC1(CC1)C(=O)N 7a_100000117830_100000210202 [0,0,0,1,0,0|3,0,0]=4 1032 B10R1.437 CNCCC1(CC1)C(=O)O 269956a_100000690630_200000210301 [0,0,0,1,0,0|3,0,0]=4 1033 B10R1.437 COCSC1(CC1)C(=O)C 62a_100000086384_100000766300 [0,0,0,1,0,0|3,0,0]=4 1034 B10R1.437 COCSC1(CC1)C(=O)C 62a_100000766300_100000086384 [0,0,0,1,0,0|3,0,0]=4 1035 B10R1.437 CSCSC1(CC1)C(=O)C 62a_100000086384_100011218213 [0,0,0,1,0,0|3,0,0]=4 1036 B10R1.437 CSCSC1(CC1)C(=O)C 62a_100011218213_100000086384 [0,0,0,1,0,0|3,0,0]=4 1037 B10R1.437 [13CH3]NCCC1(CC1)C(=O)O 269956a_100000690630_200025704644 [0,0,0,1,0,0|3,0,0]=4 1038 B10R1.469 CC(C)[C@H](CO)NC1CC1 34a_100011830312_100000211595 [0,0,0,1,0,0|2,0,1]=4 1039 B10R1.469 CCC(NC1CC1)C(=O)N 34a_100000212008_100000750255 [0,0,0,1,0,0|3,0,0]=4 1040 B10R1.469 CCC(NC1CC1)C(=O)N 34a_100000733705_100000211595 [0,0,0,1,0,0|3,0,0]=4 1041 B10R1.469 CCC(SC1CC1)C(=O)N 62a_100000750255_100000211595 [0,0,0,1,0,0|3,0,0]=4 1042 B10R1.469 CC[C@@H](NC1CC1)C(=O)O 269956a_100000747097_100000211595 [0,0,0,1,0,0|3,0,0]=4 1043 B10R1.469 C[C@@H](O)[C@@H](CO)NC1CC1 34a_100015196842_100000211595 [0,0,0,1,0,0|1,0,2]=4 1044 B10R1.469 NC(=O)[C@H](CO)NC1CC1 34a_100000729942_100000211595 [0,0,0,1,0,0|2,0,0]=3 1045 B10R1.469 O=C(O)C(CO)NC1CC1 269956a_100000187304_100000211595 [0,0,0,1,0,0|2,0,0]=3 1046 B10R1.477 CC(=O)C1(CCCC1)C#N 1458a_100000209868_200000210301 [0,0,0,1,0,0|1,0,1]=3 1047 B10R1.477 CNC1(CCCC1)C(=O)N 2230a_100000755618_200000210301 [0,0,0,1,0,0|3,0,0]=4 1048 B10R1.477 CNC1(CCCC1)C(=O)N 34a_100000755618_200000210301 [0,0,0,1,0,0|3,0,0]=4 1049 B10R1.477 CNC1(CCCC1)C(=O)O 269956a_100000739329_200000210301 [0,0,0,1,0,0|3,0,0]=4 1050 B10R1.477 [13CH3]C(=O)C1(CCCC1)C#N 1458a_100000209868_200025704644 [0,0,0,1,0,0|1,0,1]=3 1051 B10R1.477 [13CH3]NC1(CCCC1)C(=O)N 2230a_100000755618_200025704644 [0,0,0,1,0,0|3,0,0]=4 1052 B10R1.477 [13CH3]NC1(CCCC1)C(=O)N 34a_100000755618_200025704644 [0,0,0,1,0,0|3,0,0]=4 1053 B10R1.477 [13CH3]NC1(CCCC1)C(=O)O 269956a_100000739329_200025704644 [0,0,0,1,0,0|3,0,0]=4 1054 B10R0.87 C=C(C)CN(CC)CCCC 2230a_100000207695_100000748629 [0,0,0,0,0,1|3,0,0]=4 1055 B10R0.87 C=C(C)CN(CC)CCCC 2230a_100000211296_100000210211 [0,0,0,0,0,1|3,0,0]=4 1056 B10R0.87 C=C(C)CN(CC)CCCC 269982a_100000207695_100000748629 [0,0,0,0,0,1|3,0,0]=4 1057 B10R0.87 C=C(C)CN(CC)CCCC 269982a_100000211296_100000210211 [0,0,0,0,0,1|3,0,0]=4 1058 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,0,0,0,0,1|1,0,0]=2 1059 B10R0.87 CCCCC(CC)CN(C)C 2230a_100102631434_100000211942 [0,0,0,0,0,1|3,0,0]=4 1060 B10R0.87 CCCCC(CC)CN(C)C 269982a_100102631434_100000211942 [0,0,0,0,0,1|3,0,0]=4 1061 B10R0.87 CCCCC(CC)CN(C)C 270004a_100102631434_100011219736 [0,0,0,0,0,1|3,0,0]=4 1062 B10R0.87 CCCCC(CC)NC(C)C 34a_100138425928_200011216223 [0,0,0,0,0,1|2,0,1]=4 1063 B10R0.87 CCCCC(CC)OC(C)C 34a_100000212225_200011216223 [0,0,0,0,0,1|2,0,1]=4 1064 B10R0.87 CCCCC(CC)OC(C)C 34a_100011215227_100000210206 [0,0,0,0,0,1|2,0,1]=4 1065 B10R0.87 CCCCC(CC)OC(C)C 7a_100011215227_100000210206 [0,0,0,0,0,1|2,0,1]=4 1066 B10R0.87 CCCCC(CC)SC(C)C 62a_100000210206_200011216223 [0,0,0,0,0,1|2,0,1]=4 1067 B10R0.87 CCCCC(CC)SC(C)C 62a_200011216223_100000210206 [0,0,0,0,0,1|2,0,1]=4 1068 B10R0.87 CCCCN(CC)CC(=O)N 2230a_100000207695_100000747473 [0,0,0,0,0,1|3,0,0]=4 1069 B10R0.87 CCCCN(CC)CC(=O)N 269982a_100000207695_100000187820 [0,0,0,0,0,1|3,0,0]=4 1070 B10R0.87 CCCCN(CC)CC(=O)O 269956a_100000746405_100000210211 [0,0,0,0,0,1|3,0,0]=4 1071 B10R0.87 CCCCN(CC)CC(=O)[O-] 269982a_100000207695_100020667443 [0,0,0,0,0,1|3,0,0]=4 1072 B10R0.87 CCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210211 [0,0,0,0,0,1|2,0,0]=3 1073 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [0,0,0,0,0,1|0,0,0]=1 1074 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [0,0,0,0,0,1|0,0,0]=1 1075 B10R0.87 CCCC[C@@H](CO)NC(C)C 2230a_100011934283_100000210206 [0,0,0,0,0,1|1,0,1]=3 1076 B10R0.87 CCCC[C@@H](CO)NC(C)C 34a_100011934283_100000210206 [0,0,0,0,0,1|1,0,1]=3 1077 B10R0.87 CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210207 [0,0,0,0,0,1|3,0,0]=4 1078 B10R0.87 CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210207 [0,0,0,0,0,1|2,0,0]=3 1079 B10R0.87 CCCN[C@H](CO)CC(C)C 2230a_100011830311_100000210303 [0,0,0,0,0,1|2,0,1]=4 1080 B10R0.87 CCCN[C@H](CO)CC(C)C 34a_100011830311_100000210303 [0,0,0,0,0,1|2,0,1]=4 1081 B10R0.87 CCNCC(CO)CC(C)C 34a_200000723437_100000210202 [0,0,0,0,0,1|2,0,1]=4 1082 B10R0.87 CCOCN(CO)CC(=O)[O-] 269956a_100016989150_100000739092 [0,0,0,0,0,1|3,0,0]=4 1083 B10R0.87 COCCN(CO)CC(=O)[O-] 269956a_100016989150_100000233755 [0,0,0,0,0,1|3,0,0]=4 1084 B10R0.87 COCN[C@H](CO)CC(=O)O 269956a_100009816507_100000766300 [0,0,0,0,0,1|3,0,0]=4 1085 B10R0.87 CSCCN(CO)CC(=O)[O-] 269956a_100016989150_100000212216 [0,0,0,0,0,1|3,0,0]=4 1086 B10R0.87 CSCC[C@@H](CO)NC(=O)C 240690a_100011827619_100015343762 [0,0,0,0,0,1|1,0,0]=2 1087 B10R0.87 CSCC[C@@H](CO)NC(=O)C 527a_100011827619_100103153847 [0,0,0,0,0,1|1,0,0]=2 1088 B10R0.87 CSCC[C@@H](CO)NC(C)C 2230a_100011827619_100000210206 [0,0,0,0,0,1|2,0,1]=4 1089 B10R0.87 CSCN[C@H](CO)CC(=O)O 269956a_100009816507_100011218213 [0,0,0,0,0,1|3,0,0]=4 1090 B10R0.87 O=C(O)C[C@@H](CO)NCCF 269956a_100009816507_100011217306 [0,0,0,0,0,1|3,0,0]=4 1091 B10R0.87 O=C(O)C[C@@H](CO)NCCO 269956a_100009816507_100000211926 [0,0,0,0,0,1|3,0,0]=4 1092 B10R0.87 O=C([O-])CN(CO)CCCF 269956a_100016989150_100011934791 [0,0,0,0,0,1|3,0,0]=4 1093 B10R0.87 O=C([O-])CN(CO)CCCO 269956a_100016989150_100011215043 [0,0,0,0,0,1|3,0,0]=4 1094 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [2,0,0,0,0,0|1,0,1]=4 1095 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [2,0,0,0,0,0|1,0,1]=4 1096 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [2,0,0,0,0,0|1,0,1]=4 1097 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [2,0,0,0,0,0|1,0,1]=4 1098 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [2,0,0,0,0,0|1,0,1]=4 1099 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [2,0,0,0,0,0|1,0,1]=4 1100 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [2,0,0,0,0,0|1,0,1]=4 1101 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [2,0,0,0,0,0|1,0,1]=4 1102 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [2,0,0,0,0,0|2,0,0]=4 1103 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [2,0,0,0,0,0|2,0,0]=4 1104 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [2,0,0,0,0,0|1,0,0]=3 1105 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [2,0,0,0,0,0|1,0,0]=3 1106 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [2,0,0,0,0,0|2,0,0]=4 1107 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [2,0,0,0,0,0|2,0,0]=4 1108 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [2,0,0,0,0,0|2,0,0]=4 1109 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [2,0,0,0,0,0|2,0,0]=4 1110 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [2,0,0,0,0,0|2,0,0]=4 1111 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [2,0,0,0,0,0|2,0,0]=4 1112 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [2,0,0,0,0,0|2,0,0]=4 1113 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [2,0,0,0,0,0|2,0,0]=4 1114 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [2,0,0,0,0,0|1,0,1]=4 1115 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [2,0,0,0,0,0|1,0,1]=4 1116 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [2,0,0,0,0,0|1,0,1]=4 1117 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [2,0,0,0,0,0|1,0,1]=4 1118 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [2,0,0,0,0,0|1,0,1]=4 1119 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [2,0,0,0,0,0|1,0,1]=4 1120 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [2,0,0,0,0,0|1,0,1]=4 1121 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [2,0,0,0,0,0|0,0,1]=3 1122 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [2,0,0,0,0,0|1,0,0]=3 1123 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [2,0,0,0,0,0|1,0,0]=3 1124 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [2,0,0,0,0,0|1,0,0]=3 1125 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [2,0,0,0,0,0|1,0,0]=3 1126 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [2,0,0,0,0,0|1,0,0]=3 1127 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [2,0,0,0,0,0|1,0,0]=3 1128 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [2,0,0,0,0,0|1,0,0]=3 1129 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [2,0,0,0,0,0|1,0,0]=3 1130 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [2,0,0,0,0,0|1,0,0]=3 1131 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [2,0,0,0,0,0|1,0,0]=3 1132 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [2,0,0,0,0,0|1,0,0]=3 1133 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [2,0,0,0,0,0|1,0,0]=3 1134 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [2,0,0,0,0,0|1,0,0]=3 1135 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [2,0,0,0,0,0|1,0,0]=3 1136 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [2,0,0,0,0,0|1,0,0]=3 1137 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [2,0,0,0,0,0|1,0,1]=4 1138 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [2,0,0,0,0,0|1,0,1]=4 1139 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [2,0,0,0,0,0|1,0,1]=4 1140 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [2,0,0,0,0,0|1,0,1]=4 1141 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [2,0,0,0,0,0|1,0,1]=4 1142 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [2,0,0,0,0,0|1,0,1]=4 1143 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [2,0,0,0,0,0|2,0,0]=4 1144 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [2,0,0,0,0,0|1,0,1]=4 1145 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [2,0,0,0,0,0|1,0,1]=4 1146 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [2,0,0,0,0,0|1,0,1]=4 1147 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [2,0,0,0,0,0|1,0,1]=4 1148 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [2,0,0,0,0,0|1,0,1]=4 1149 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [2,0,0,0,0,0|1,0,0]=3 1150 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [2,0,0,0,0,0|1,0,1]=4 1151 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [2,0,0,0,0,0|1,0,1]=4 1152 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [2,0,0,0,0,0|2,0,0]=4 1153 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [2,0,0,0,0,0|2,0,0]=4 1154 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [2,0,0,0,0,0|2,0,0]=4 1155 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [2,0,0,0,0,0|1,0,0]=3 1156 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [2,0,0,0,0,0|1,0,1]=4 1157 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [2,0,0,0,0,0|1,0,1]=4 1158 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [2,0,0,0,0,0|1,0,0]=3 1159 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [2,0,0,0,0,0|2,0,0]=4 1160 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [2,0,0,0,0,0|2,0,0]=4 1161 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [2,0,0,0,0,0|1,0,0]=3 1162 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [2,0,0,0,0,0|1,0,0]=3 1163 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [2,0,0,0,0,0|1,0,1]=4 1164 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [2,0,0,0,0,0|1,0,1]=4 1165 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [2,0,0,0,0,0|1,0,1]=4 1166 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [2,0,0,0,0,0|1,0,0]=3 1167 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [2,0,0,0,0,0|1,0,1]=4 1168 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [2,0,0,0,0,0|1,0,1]=4 1169 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [2,0,0,0,0,0|1,0,1]=4 1170 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [2,0,0,0,0,0|1,0,1]=4 1171 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [2,0,0,0,0,0|1,0,0]=3 1172 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [2,0,0,0,0,0|2,0,0]=4 1173 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [2,0,0,0,0,0|2,0,0]=4 1174 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [2,0,0,0,0,0|1,0,1]=4 1175 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [2,0,0,0,0,0|1,0,1]=4 1176 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [2,0,0,0,0,0|1,0,1]=4 1177 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [2,0,0,0,0,0|2,0,0]=4 1178 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [2,0,0,0,0,0|2,0,0]=4 1179 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [2,0,0,0,0,0|2,0,0]=4 1180 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [2,0,0,0,0,0|2,0,0]=4 1181 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [2,0,0,0,0,0|2,0,0]=4 1182 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [2,0,0,0,0,0|2,0,0]=4 1183 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [2,0,0,0,0,0|1,0,1]=4 1184 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [2,0,0,0,0,0|1,0,1]=4 1185 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [2,0,0,0,0,0|1,0,1]=4 1186 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [2,0,0,0,0,0|1,0,1]=4 1187 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [2,0,0,0,0,0|1,0,0]=3 1188 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [2,0,0,0,0,0|1,0,1]=4 1189 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [2,0,0,0,0,0|1,0,1]=4 1190 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [2,0,0,0,0,0|1,0,1]=4 1191 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [2,0,0,0,0,0|2,0,0]=4 1192 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [2,0,0,0,0,0|1,0,1]=4 1193 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [2,0,0,0,0,0|1,0,1]=4 1194 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [2,0,0,0,0,0|1,0,1]=4 1195 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [2,0,0,0,0,0|1,0,1]=4 1196 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [2,0,0,0,0,0|1,0,1]=4 1197 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [2,0,0,0,0,0|1,0,1]=4 1198 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [2,0,0,0,0,0|1,0,0]=3 1199 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [2,0,0,0,0,0|1,0,0]=3 1200 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [2,0,0,0,0,0|1,0,1]=4 1201 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [2,0,0,0,0,0|1,0,1]=4 1202 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [2,0,0,0,0,0|2,0,0]=4 1203 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [2,0,0,0,0,0|2,0,0]=4 1204 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [2,0,0,0,0,0|1,0,0]=3 1205 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [2,0,0,0,0,0|1,0,0]=3 1206 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [2,0,0,0,0,0|2,0,0]=4 1207 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [2,0,0,0,0,0|2,0,0]=4 1208 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [2,0,0,0,0,0|2,0,0]=4 1209 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [2,0,0,0,0,0|1,0,1]=4 1210 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [2,0,0,0,0,0|2,0,0]=4 1211 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [2,0,0,0,0,0|2,0,0]=4 1212 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [2,0,0,0,0,0|2,0,0]=4 1213 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [2,0,0,0,0,0|2,0,0]=4 1214 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [2,0,0,0,0,0|2,0,0]=4 1215 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [2,0,0,0,0,0|1,0,1]=4 1216 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [2,0,0,0,0,0|2,0,0]=4 1217 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [2,0,0,0,0,0|2,0,0]=4 1218 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [2,0,0,0,0,0|2,0,0]=4 1219 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [2,0,0,0,0,0|2,0,0]=4 1220 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [2,0,0,0,0,0|2,0,0]=4 1221 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [2,0,0,0,0,0|2,0,0]=4 1222 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [2,0,0,0,0,0|2,0,0]=4 1223 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [2,0,0,0,0,0|2,0,0]=4 1224 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [2,0,0,0,0,0|2,0,0]=4 1225 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [2,0,0,0,0,0|2,0,0]=4 1226 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [2,0,0,0,0,0|2,0,0]=4 1227 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [2,0,0,0,0,0|2,0,0]=4 1228 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [2,0,0,0,0,0|1,0,1]=4 1229 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [2,0,0,0,0,0|1,0,1]=4 1230 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [2,0,0,0,0,0|0,0,2]=4 1231 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [2,0,0,0,0,0|0,0,2]=4 1232 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [2,0,0,0,0,0|0,0,2]=4 1233 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [2,0,0,0,0,0|2,0,0]=4 1234 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [2,0,0,0,0,0|2,0,0]=4 1235 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [2,0,0,0,0,0|2,0,0]=4 1236 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [2,0,0,0,0,0|2,0,0]=4 1237 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [2,0,0,0,0,0|2,0,0]=4 1238 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [2,0,0,0,0,0|2,0,0]=4 1239 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [2,0,0,0,0,0|2,0,0]=4 1240 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [2,0,0,0,0,0|2,0,0]=4 1241 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [2,0,0,0,0,0|2,0,0]=4 1242 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|0,0,2]=4 1243 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|0,0,2]=4 1244 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|0,0,2]=4 1245 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [2,0,0,0,0,0|1,0,1]=4 1246 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [2,0,0,0,0,0|1,0,1]=4 1247 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|1,0,0]=3 1248 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,0]=3 1249 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,0]=3 1250 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|1,0,0]=3 1251 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|1,0,0]=3 1252 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|1,0,0]=3 1253 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|1,0,0]=3 1254 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [2,0,0,0,0,0|2,0,0]=4 1255 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [2,0,0,0,0,0|2,0,0]=4 1256 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [2,0,0,0,0,0|2,0,0]=4 1257 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [2,0,0,0,0,0|2,0,0]=4 1258 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [2,0,0,0,0,0|2,0,0]=4 1259 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [2,0,0,0,0,0|2,0,0]=4 1260 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [2,0,0,0,0,0|2,0,0]=4 1261 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 1262 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 1263 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 1264 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [2,0,0,0,0,0|2,0,0]=4 1265 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [2,0,0,0,0,0|2,0,0]=4 1266 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [2,0,0,0,0,0|2,0,0]=4 1267 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [2,0,0,0,0,0|2,0,0]=4 1268 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [2,0,0,0,0,0|2,0,0]=4 1269 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [2,0,0,0,0,0|2,0,0]=4 1270 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [2,0,0,0,0,0|2,0,0]=4 1271 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [2,0,0,0,0,0|2,0,0]=4 1272 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [2,0,0,0,0,0|2,0,0]=4 1273 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [2,0,0,0,0,0|0,0,2]=4 1274 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [2,0,0,0,0,0|0,0,2]=4 1275 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [2,0,0,0,0,0|0,0,2]=4 1276 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [2,0,0,0,0,0|0,0,2]=4 1277 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [2,0,0,0,0,0|0,0,2]=4 1278 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [2,0,0,0,0,0|0,0,2]=4 1279 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [2,0,0,0,0,0|0,0,2]=4 1280 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [2,0,0,0,0,0|0,0,2]=4 1281 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|0,0,0]=2 1282 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|0,0,0]=2 1283 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|0,0,0]=2 1284 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [2,0,0,0,0,0|2,0,0]=4 1285 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [2,0,0,0,0,0|2,0,0]=4 1286 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [2,0,0,0,0,0|2,0,0]=4 1287 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [2,0,0,0,0,0|2,0,0]=4 1288 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [2,0,0,0,0,0|2,0,0]=4 1289 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [2,0,0,0,0,0|2,0,0]=4 1290 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 1291 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 1292 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 1293 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [2,0,0,0,0,0|1,0,0]=3 1294 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [2,0,0,0,0,0|2,0,0]=4 1295 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|2,0,0]=4 1296 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [2,0,0,0,0,0|2,0,0]=4 1297 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [2,0,0,0,0,0|1,0,0]=3 1298 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [2,0,0,0,0,0|1,0,0]=3 1299 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [2,0,0,0,0,0|2,0,0]=4 1300 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [2,0,0,0,0,0|1,0,0]=3 1301 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [2,0,0,0,0,0|2,0,0]=4 1302 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [2,0,0,0,0,0|1,0,0]=3 1303 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [2,0,0,0,0,0|2,0,0]=4 1304 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [2,0,0,0,0,0|2,0,0]=4 1305 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [2,0,0,0,0,0|1,0,0]=3 1306 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [2,0,0,0,0,0|2,0,0]=4 1307 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [2,0,0,0,0,0|2,0,0]=4 1308 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [2,0,0,0,0,0|2,0,0]=4 1309 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|1,0,0]=3 1310 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|1,0,0]=3 1311 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|1,0,0]=3 1312 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|1,0,0]=3 1313 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 1314 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [2,0,0,0,0,0|2,0,0]=4 1315 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 1316 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|1,0,0]=3 1317 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [2,0,0,0,0,0|2,0,0]=4 1318 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|1,0,0]=3 1319 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|1,0,0]=3 1320 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|1,0,0]=3 1321 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|1,0,0]=3 1322 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [2,0,0,0,0,0|2,0,0]=4 1323 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [2,0,0,0,0,0|2,0,0]=4 1324 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|1,0,0]=3 1325 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [2,0,0,0,0,0|2,0,0]=4 1326 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [2,0,0,0,0,0|2,0,0]=4 1327 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|1,0,0]=3 1328 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|1,0,0]=3 1329 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [2,0,0,0,0,0|2,0,0]=4 1330 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [2,0,0,0,0,0|2,0,0]=4 1331 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [2,0,0,0,0,0|2,0,0]=4 1332 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [2,0,0,0,0,0|2,0,0]=4 1333 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [2,0,0,0,0,0|2,0,0]=4 1334 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 1335 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 1336 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [2,0,0,0,0,0|2,0,0]=4 1337 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [2,0,0,0,0,0|2,0,0]=4 1338 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|1,0,0]=3 1339 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|1,0,0]=3 1340 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|1,0,0]=3 1341 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|1,0,0]=3 1342 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|1,0,0]=3 1343 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [2,0,0,0,0,0|2,0,0]=4 1344 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|1,0,0]=3 1345 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 1346 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 1347 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [2,0,0,0,0,0|2,0,0]=4 1348 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [2,0,0,0,0,0|2,0,0]=4 1349 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [2,0,0,0,0,0|2,0,0]=4 1350 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [2,0,0,0,0,0|2,0,0]=4 1351 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|1,0,0]=3 1352 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|1,0,0]=3 1353 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|1,0,0]=3 1354 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [2,0,0,0,0,0|2,0,0]=4 1355 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [2,0,0,0,0,0|2,0,0]=4 1356 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|1,0,0]=3 1357 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 1358 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 1359 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 1360 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [2,0,0,0,0,0|2,0,0]=4 1361 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [2,0,0,0,0,0|2,0,0]=4 1362 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [2,0,0,0,0,0|2,0,0]=4 1363 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [2,0,0,0,0,0|2,0,0]=4 1364 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [2,0,0,0,0,0|2,0,0]=4 1365 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [2,0,0,0,0,0|2,0,0]=4 1366 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [2,0,0,0,0,0|1,0,1]=4 1367 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,0]=3 1368 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [2,0,0,0,0,0|2,0,0]=4 1369 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [2,0,0,0,0,0|2,0,0]=4 1370 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [2,0,0,0,0,0|2,0,0]=4 1371 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [2,0,0,0,0,0|2,0,0]=4 1372 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [2,0,0,0,0,0|2,0,0]=4 1373 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [2,0,0,0,0,0|0,0,2]=4 1374 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [2,0,0,0,0,0|0,0,2]=4 1375 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [2,0,0,0,0,0|1,0,1]=4 1376 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [2,0,0,0,0,0|1,0,0]=3 1377 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [2,0,0,0,0,0|1,0,0]=3 1378 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [2,0,0,0,0,0|1,0,0]=3 1379 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [2,0,0,0,0,0|2,0,0]=4 1380 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [2,0,0,0,0,0|2,0,0]=4 1381 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [2,0,0,0,0,0|2,0,0]=4 1382 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [2,0,0,0,0,0|2,0,0]=4 1383 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [2,0,0,0,0,0|2,0,0]=4 1384 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [2,0,0,0,0,0|2,0,0]=4 1385 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [2,0,0,0,0,0|0,0,2]=4 1386 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [2,0,0,0,0,0|0,0,2]=4 1387 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [2,0,0,0,0,0|0,0,0]=2 1388 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [2,0,0,0,0,0|0,0,0]=2 1389 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [2,0,0,0,0,0|0,0,0]=2 1390 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [2,0,0,0,0,0|2,0,0]=4 1391 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [2,0,0,0,0,0|2,0,0]=4 1392 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [2,0,0,0,0,0|2,0,0]=4 1393 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [2,0,0,0,0,0|1,0,0]=3 1394 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [2,0,0,0,0,0|1,0,0]=3 1395 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [2,0,0,0,0,0|1,0,0]=3 1396 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [2,0,0,0,0,0|1,0,0]=3 1397 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [2,0,0,0,0,0|0,0,0]=2 1398 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [2,0,0,0,0,0|0,0,0]=2 1399 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [2,0,0,0,0,0|1,0,0]=3 1400 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [2,0,0,0,0,0|2,0,0]=4 1401 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [2,0,0,0,0,0|2,0,0]=4 1402 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [2,0,0,0,0,0|2,0,0]=4 1403 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [2,0,0,0,0,0|2,0,0]=4 1404 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [2,0,0,0,0,0|1,0,0]=3 1405 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [2,0,0,0,0,0|1,0,0]=3 1406 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [2,0,0,0,0,0|2,0,0]=4 1407 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [2,0,0,0,0,0|1,0,0]=3 1408 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [2,0,0,0,0,0|2,0,0]=4 1409 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [2,0,0,0,0,0|2,0,0]=4 1410 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [2,0,0,0,0,0|2,0,0]=4 1411 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [2,0,0,0,0,0|1,0,0]=3 1412 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [2,0,0,0,0,0|1,0,0]=3 1413 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [2,0,0,0,0,0|1,0,0]=3 1414 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [2,0,0,0,0,0|2,0,0]=4 1415 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [2,0,0,0,0,0|2,0,0]=4 1416 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [2,0,0,0,0,0|1,0,0]=3 1417 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [2,0,0,0,0,0|2,0,0]=4 1418 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [2,0,0,0,0,0|1,0,0]=3 1419 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [2,0,0,0,0,0|1,0,0]=3 1420 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [2,0,0,0,0,0|1,0,0]=3 1421 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [2,0,0,0,0,0|1,0,0]=3 1422 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [2,0,0,0,0,0|1,0,0]=3 1423 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [2,0,0,0,0,0|1,0,0]=3 1424 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [2,0,0,0,0,0|1,0,0]=3 1425 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [2,0,0,0,0,0|1,0,1]=4 1426 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [2,0,0,0,0,0|1,0,1]=4 1427 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [2,0,0,0,0,0|2,0,0]=4 1428 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [2,0,0,0,0,0|2,0,0]=4 1429 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [2,0,0,0,0,0|2,0,0]=4 1430 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [2,0,0,0,0,0|2,0,0]=4 1431 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [2,0,0,0,0,0|2,0,0]=4 1432 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [2,0,0,0,0,0|2,0,0]=4 1433 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [2,0,0,0,0,0|2,0,0]=4 1434 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [2,0,0,0,0,0|2,0,0]=4 1435 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [2,0,0,0,0,0|2,0,0]=4 1436 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [2,0,0,0,0,0|2,0,0]=4 1437 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [2,0,0,0,0,0|2,0,0]=4 1438 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [2,0,0,0,0,0|2,0,0]=4 1439 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [2,0,0,0,0,0|1,0,0]=3 1440 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [2,0,0,0,0,0|1,0,0]=3 1441 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [2,0,0,0,0,0|1,0,0]=3 1442 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [2,0,0,0,0,0|1,0,0]=3 1443 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [2,0,0,0,0,0|1,0,1]=4 1444 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [2,0,0,0,0,0|2,0,0]=4 1445 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [2,0,0,0,0,0|2,0,0]=4 1446 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [2,0,0,0,0,0|2,0,0]=4 1447 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [2,0,0,0,0,0|2,0,0]=4 1448 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [2,0,0,0,0,0|1,0,0]=3 1449 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [2,0,0,0,0,0|1,0,0]=3 1450 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [2,0,0,0,0,0|1,0,0]=3 1451 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [2,0,0,0,0,0|2,0,0]=4 1452 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [2,0,0,0,0,0|2,0,0]=4 1453 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [2,0,0,0,0,0|2,0,0]=4 1454 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [2,0,0,0,0,0|2,0,0]=4 1455 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [2,0,0,0,0,0|2,0,0]=4 1456 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [2,0,0,0,0,0|2,0,0]=4 1457 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [2,0,0,0,0,0|2,0,0]=4 1458 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [2,0,0,0,0,0|2,0,0]=4 1459 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [2,0,0,0,0,0|2,0,0]=4 1460 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [2,0,0,0,0,0|2,0,0]=4 1461 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [2,0,0,0,0,0|2,0,0]=4 1462 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [2,0,0,0,0,0|2,0,0]=4 1463 B9R0.3 CCCCN(C)S(=O)(=O)C 40a_100000207549_100000738038 [1,1,0,0,0,0|2,0,0]=4 1464 B9R0.6 CC(=O)C(C)C(=O)CCO 1458a_100011216618_100000179758 [1,1,0,0,0,0|1,0,1]=4 1465 B9R0.6 CC(=O)C(C)N(C)CCO 2230a_100000210263_100009814033 [1,1,0,0,0,0|2,0,0]=4 1466 B9R0.6 CC(=O)C(C)N(C)CCO 269982a_100000210263_100009814033 [1,1,0,0,0,0|2,0,0]=4 1467 B9R0.6 CC(=O)N(C)C(C)CCO 240690a_100000731037_100015343762 [1,1,0,0,0,0|2,0,0]=4 1468 B9R0.6 CC(=O)N(C)C(C)CCO 527a_100000731037_100103153847 [1,1,0,0,0,0|2,0,0]=4 1469 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [1,1,0,0,0,0|0,0,1]=3 1470 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [1,1,0,0,0,0|1,0,1]=4 1471 B9R0.6 CCCC(C)C(C)N(C)C 270004a_100102631434_100011216282 [1,1,0,0,0,0|2,0,0]=4 1472 B9R0.6 CCCN(C)C(C)C(=O)C 2230a_100000747261_100009814033 [1,1,0,0,0,0|1,0,0]=3 1473 B9R0.6 CCCN(C)C(C)C(=O)C 269982a_100000747261_100009814033 [1,1,0,0,0,0|1,0,0]=3 1474 B9R0.6 CCCN(C)C(C)C(=O)N 2230a_100000747261_100000702099 [1,1,0,0,0,0|2,0,0]=4 1475 B9R0.6 CCCN(C)C(C)C(=O)N 269982a_100000747261_100000184083 [1,1,0,0,0,0|2,0,0]=4 1476 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [1,1,0,0,0,0|2,0,0]=4 1477 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [1,1,0,0,0,0|1,0,1]=4 1478 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [1,1,0,0,0,0|1,0,1]=4 1479 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [1,1,0,0,0,0|1,0,1]=4 1480 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [1,1,0,0,0,0|1,0,1]=4 1481 B9R0.6 COCC(=O)C(C)C(=O)C 1458a_100000210968_100000179758 [1,1,0,0,0,0|1,0,1]=4 1482 B9R0.6 CSCC(=O)C(C)C(=O)C 1458a_100000184570_100000179758 [1,1,0,0,0,0|1,0,1]=4 1483 B9R0.7 C=C(C)C(C)NCC(C)C 269862a_100000210953_100011216138 [1,1,0,0,0,0|2,0,0]=4 1484 B9R0.7 C=C(C)C(C)NCC(C)O 269862a_100000210904_100011216138 [1,1,0,0,0,0|2,0,0]=4 1485 B9R0.7 C=C(C)COC(C)C(=O)C 34a_100000212229_100000748629 [1,1,0,0,0,0|1,0,1]=4 1486 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100000748629_100009814033 [1,1,0,0,0,0|1,0,1]=4 1487 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100009814033_100000211660 [1,1,0,0,0,0|1,0,1]=4 1488 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [1,1,0,0,0,0|0,0,0]=2 1489 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [1,1,0,0,0,0|1,0,0]=3 1490 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [1,1,0,0,0,0|1,0,0]=3 1491 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [1,1,0,0,0,0|1,0,0]=3 1492 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [1,1,0,0,0,0|1,0,0]=3 1493 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [1,1,0,0,0,0|1,0,0]=3 1494 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [1,1,0,0,0,0|1,0,0]=3 1495 B9R0.7 CC(=O)C(C)OCC(F)F 34a_100000212229_100011934356 [1,1,0,0,0,0|2,0,0]=4 1496 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [1,1,0,0,0,0|1,0,0]=3 1497 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [1,1,0,0,0,0|1,0,0]=3 1498 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [1,1,0,0,0,0|1,0,0]=3 1499 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [1,1,0,0,0,0|1,0,0]=3 1500 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [1,1,0,0,0,0|1,0,0]=3 1501 B9R0.7 CC(=O)C(C)SCC(F)F 62a_100009814033_100011934356 [1,1,0,0,0,0|2,0,0]=4 1502 B9R0.7 CC(=O)C(C)SCC(F)F 62a_100011934356_100009814033 [1,1,0,0,0,0|2,0,0]=4 1503 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [1,1,0,0,0,0|1,0,0]=3 1504 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [1,1,0,0,0,0|1,0,0]=3 1505 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [1,1,0,0,0,0|1,0,1]=4 1506 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [1,1,0,0,0,0|1,0,1]=4 1507 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [1,1,0,0,0,0|1,0,0]=3 1508 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [1,1,0,0,0,0|1,0,0]=3 1509 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [1,1,0,0,0,0|1,0,0]=3 1510 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [1,1,0,0,0,0|1,0,0]=3 1511 B9R0.7 CC(=O)N(C)CCN(C)C 240690a_100000225618_100015343762 [1,1,0,0,0,0|2,0,0]=4 1512 B9R0.7 CC(=O)N(C)CCN(C)C 527a_100000225618_100103153847 [1,1,0,0,0,0|2,0,0]=4 1513 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [1,1,0,0,0,0|1,0,1]=4 1514 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [1,1,0,0,0,0|1,0,1]=4 1515 B9R0.7 CC(Br)COC(C)C(=O)N 34a_100012180447_100000702099 [1,1,0,0,0,0|2,0,0]=4 1516 B9R0.7 CC(C)CCC(C)N(C)C 2230a_100102631434_100011261404 [1,1,0,0,0,0|2,0,0]=4 1517 B9R0.7 CC(C)CCC(C)N(C)C 269982a_100102631434_100011261404 [1,1,0,0,0,0|2,0,0]=4 1518 B9R0.7 CC(C)CCC(C)N(C)C 270004a_100102631434_100000210476 [1,1,0,0,0,0|2,0,0]=4 1519 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [1,1,0,0,0,0|2,0,0]=4 1520 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [1,1,0,0,0,0|2,0,0]=4 1521 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [1,1,0,0,0,0|2,0,0]=4 1522 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [1,1,0,0,0,0|2,0,0]=4 1523 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [1,1,0,0,0,0|2,0,0]=4 1524 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [1,1,0,0,0,0|2,0,0]=4 1525 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [1,1,0,0,0,0|2,0,0]=4 1526 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [1,1,0,0,0,0|2,0,0]=4 1527 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [1,1,0,0,0,0|2,0,0]=4 1528 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [1,1,0,0,0,0|2,0,0]=4 1529 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [1,1,0,0,0,0|2,0,0]=4 1530 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [1,1,0,0,0,0|2,0,0]=4 1531 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [1,1,0,0,0,0|2,0,0]=4 1532 B9R0.7 CC(F)COC(C)C(=O)N 34a_100015925927_100000702099 [1,1,0,0,0,0|2,0,0]=4 1533 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [1,1,0,0,0,0|2,0,0]=4 1534 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [1,1,0,0,0,0|2,0,0]=4 1535 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [1,1,0,0,0,0|2,0,0]=4 1536 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [1,1,0,0,0,0|2,0,0]=4 1537 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [1,1,0,0,0,0|2,0,0]=4 1538 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [1,1,0,0,0,0|2,0,0]=4 1539 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [1,1,0,0,0,0|2,0,0]=4 1540 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [1,1,0,0,0,0|2,0,0]=4 1541 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [1,1,0,0,0,0|2,0,0]=4 1542 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [1,1,0,0,0,0|2,0,0]=4 1543 B9R0.7 CC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000702099 [1,1,0,0,0,0|2,0,0]=4 1544 B9R0.7 CC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000702099 [1,1,0,0,0,0|2,0,0]=4 1545 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [1,1,0,0,0,0|2,0,0]=4 1546 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [1,1,0,0,0,0|2,0,0]=4 1547 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [1,1,0,0,0,0|2,0,0]=4 1548 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [1,1,0,0,0,0|2,0,0]=4 1549 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [1,1,0,0,0,0|2,0,0]=4 1550 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [1,1,0,0,0,0|2,0,0]=4 1551 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 1552 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [1,1,0,0,0,0|2,0,0]=4 1553 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [1,1,0,0,0,0|0,0,1]=3 1554 B9R0.8 C/C=C(\C)/C(C)NCCC 269862a_100020643023_100020675665 [1,1,0,0,0,0|2,0,0]=4 1555 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [1,1,0,0,0,0|0,0,1]=3 1556 B9R0.8 C=CC(=O)N(C)CCCC 1626a_100000207549_100000185746 [1,1,0,0,0,0|1,0,1]=4 1557 B9R0.8 C=CC(=O)N(C)CCCC 240690a_100000207549_200121576911 [1,1,0,0,0,0|1,0,1]=4 1558 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [1,1,0,0,0,0|2,0,0]=4 1559 B9R0.8 CCC(=O)C(C)SCCF 62a_100000742827_100011217306 [1,1,0,0,0,0|2,0,0]=4 1560 B9R0.8 CCC(=O)C(C)SCCF 62a_100011217306_100000742827 [1,1,0,0,0,0|2,0,0]=4 1561 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [1,1,0,0,0,0|2,0,0]=4 1562 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [1,1,0,0,0,0|2,0,0]=4 1563 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [1,1,0,0,0,0|2,0,0]=4 1564 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [1,1,0,0,0,0|2,0,0]=4 1565 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [1,1,0,0,0,0|2,0,0]=4 1566 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [1,1,0,0,0,0|2,0,0]=4 1567 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [1,1,0,0,0,0|1,0,0]=3 1568 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [1,1,0,0,0,0|2,0,0]=4 1569 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [1,1,0,0,0,0|2,0,0]=4 1570 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [1,1,0,0,0,0|2,0,0]=4 1571 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [1,1,0,0,0,0|2,0,0]=4 1572 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [1,1,0,0,0,0|2,0,0]=4 1573 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [1,1,0,0,0,0|2,0,0]=4 1574 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [1,1,0,0,0,0|2,0,0]=4 1575 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [1,1,0,0,0,0|2,0,0]=4 1576 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [1,1,0,0,0,0|2,0,0]=4 1577 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [1,1,0,0,0,0|2,0,0]=4 1578 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [1,1,0,0,0,0|0,0,2]=4 1579 B9R0.8 CCC/C=C(\C)/C(=O)CF 1458a_200020648666_100015361967 [1,1,0,0,0,0|0,0,2]=4 1580 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [1,1,0,0,0,0|0,0,2]=4 1581 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [1,1,0,0,0,0|0,0,2]=4 1582 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [1,1,0,0,0,0|0,0,2]=4 1583 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [1,1,0,0,0,0|0,0,2]=4 1584 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [1,1,0,0,0,0|0,0,0]=2 1585 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [1,1,0,0,0,0|0,0,0]=2 1586 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [1,1,0,0,0,0|0,0,0]=2 1587 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [1,1,0,0,0,0|0,0,0]=2 1588 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [1,1,0,0,0,0|0,0,0]=2 1589 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [1,1,0,0,0,0|0,0,0]=2 1590 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [1,1,0,0,0,0|0,0,0]=2 1591 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [1,1,0,0,0,0|0,0,0]=2 1592 B9R0.8 CCCCC(C)N(C)CC 2230a_100000225621_200011215066 [1,1,0,0,0,0|2,0,0]=4 1593 B9R0.8 CCCCC(C)N(C)CC 269982a_100000225621_200011215066 [1,1,0,0,0,0|2,0,0]=4 1594 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [1,1,0,0,0,0|0,0,0]=2 1595 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [1,1,0,0,0,0|0,0,0]=2 1596 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [1,1,0,0,0,0|0,0,0]=2 1597 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [1,1,0,0,0,0|0,0,0]=2 1598 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [1,1,0,0,0,0|1,0,0]=3 1599 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [1,1,0,0,0,0|1,0,0]=3 1600 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [1,1,0,0,0,0|1,0,0]=3 1601 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [1,1,0,0,0,0|1,0,0]=3 1602 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [1,1,0,0,0,0|1,0,0]=3 1603 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [1,1,0,0,0,0|1,0,0]=3 1604 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [1,1,0,0,0,0|1,0,0]=3 1605 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [1,1,0,0,0,0|1,0,0]=3 1606 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [1,1,0,0,0,0|1,0,0]=3 1607 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [1,1,0,0,0,0|1,0,0]=3 1608 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [1,1,0,0,0,0|1,0,0]=3 1609 B9R0.8 CCCOC(C)C(=O)NN 34a_100000725659_100000210303 [1,1,0,0,0,0|2,0,0]=4 1610 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [1,1,0,0,0,0|1,0,0]=3 1611 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [1,1,0,0,0,0|1,0,0]=3 1612 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [1,1,0,0,0,0|2,0,0]=4 1613 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [1,1,0,0,0,0|1,0,0]=3 1614 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [1,1,0,0,0,0|1,0,0]=3 1615 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [1,1,0,0,0,0|1,0,0]=3 1616 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [1,1,0,0,0,0|1,0,0]=3 1617 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [1,1,0,0,0,0|1,0,0]=3 1618 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [1,1,0,0,0,0|1,0,0]=3 1619 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [1,1,0,0,0,0|2,0,0]=4 1620 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [1,1,0,0,0,0|2,0,0]=4 1621 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [1,1,0,0,0,0|1,0,0]=3 1622 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [1,1,0,0,0,0|1,0,0]=3 1623 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [1,1,0,0,0,0|1,0,0]=3 1624 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [1,1,0,0,0,0|1,0,0]=3 1625 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [1,1,0,0,0,0|1,0,0]=3 1626 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [1,1,0,0,0,0|2,0,0]=4 1627 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [1,1,0,0,0,0|2,0,0]=4 1628 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [1,1,0,0,0,0|1,0,0]=3 1629 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [1,1,0,0,0,0|1,0,0]=3 1630 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [1,1,0,0,0,0|2,0,0]=4 1631 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [1,1,0,0,0,0|2,0,0]=4 1632 B9R0.8 CNC(=O)C(C)CNCF 34a_100015187722_100015361967 [1,1,0,0,0,0|2,0,0]=4 1633 B9R0.8 CNC(=O)C(C)NCCF 34a_100000724931_100000731044 [1,1,0,0,0,0|2,0,0]=4 1634 B9R0.8 CNC(=O)C(C)NCCO 2230a_100016997473_100000731044 [1,1,0,0,0,0|2,0,0]=4 1635 B9R0.8 CNC(=O)C(C)NCCO 34a_100016990907_100000731044 [1,1,0,0,0,0|2,0,0]=4 1636 B9R0.8 CNC(=O)C(C)OCCBr 34a_100000211926_100000731044 [1,1,0,0,0,0|2,0,0]=4 1637 B9R0.8 CNC(=O)C(C)OCCN 34a_100000210304_100000731044 [1,1,0,0,0,0|2,0,0]=4 1638 B9R0.8 CNC(=O)C(C)SCCF 62a_100000209862_100011217306 [1,1,0,0,0,0|2,0,0]=4 1639 B9R0.8 CNC(=O)C(C)SCCF 62a_100011217306_100000731044 [1,1,0,0,0,0|2,0,0]=4 1640 B9R0.8 CNC(=O)C(C)SCCO 62a_100000209862_100000211926 [1,1,0,0,0,0|2,0,0]=4 1641 B9R0.8 CNC(=O)C(C)SCCO 62a_100000211926_100000731044 [1,1,0,0,0,0|2,0,0]=4 1642 B9R0.8 CNC(=O)C(C)SCOC 62a_100000209862_100000766300 [1,1,0,0,0,0|2,0,0]=4 1643 B9R0.8 CNC(=O)C(C)SCOC 62a_100000766300_100000731044 [1,1,0,0,0,0|2,0,0]=4 1644 B9R0.8 CNC(=O)C(C)SCSC 62a_100000209862_100011218213 [1,1,0,0,0,0|2,0,0]=4 1645 B9R0.8 CNC(=O)C(C)SCSC 62a_100011218213_100000731044 [1,1,0,0,0,0|2,0,0]=4 1646 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [1,1,0,0,0,0|1,0,0]=3 1647 B9R0.8 CNC(=O)N(C)CCCO 2708a_100102657272_100000213112 [1,1,0,0,0,0|2,0,0]=4 1648 B9R0.8 CNC(=O)N(C)CCCO 273464a_100102657272_100000213112 [1,1,0,0,0,0|2,0,0]=4 1649 B9R0.8 CNC(=O)N(C)CCOC 2708a_100102657272_100000743101 [1,1,0,0,0,0|2,0,0]=4 1650 B9R0.8 CNC(=O)N(C)CCOC 273464a_100102657272_100000743101 [1,1,0,0,0,0|2,0,0]=4 1651 B9R0.8 CNC(=O)N(C)CCSC 2708a_100102657272_100000686725 [1,1,0,0,0,0|2,0,0]=4 1652 B9R0.8 CNC(=O)N(C)CCSC 273464a_100102657272_100000686725 [1,1,0,0,0,0|2,0,0]=4 1653 B9R0.8 CNC(=O)[C@@H](C)NCCF 2230a_100000684985_100011217306 [1,1,0,0,0,0|2,0,0]=4 1654 B9R0.8 CNC(=O)[C@@H](C)NCCF 34a_100000684985_100011217306 [1,1,0,0,0,0|2,0,0]=4 1655 B9R0.8 CNC(=O)[C@@H](C)NCCO 2230a_100000684985_100000211926 [1,1,0,0,0,0|2,0,0]=4 1656 B9R0.8 CNC(=O)[C@@H](C)NCCO 34a_100000684985_100000211926 [1,1,0,0,0,0|2,0,0]=4 1657 B9R0.8 CNC(=O)[C@@H](C)NCOC 2230a_100000684985_100000766300 [1,1,0,0,0,0|2,0,0]=4 1658 B9R0.8 CNC(=O)[C@@H](C)NCSC 2230a_100000684985_100011218213 [1,1,0,0,0,0|2,0,0]=4 1659 B9R0.8 CNC(=O)[C@@H](C)NCSC 34a_100000684985_100011218213 [1,1,0,0,0,0|2,0,0]=4 1660 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [1,1,0,0,0,0|1,0,0]=3 1661 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [1,1,0,0,0,0|1,0,0]=3 1662 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [1,1,0,0,0,0|1,0,0]=3 1663 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [1,1,0,0,0,0|1,0,0]=3 1664 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [1,1,0,0,0,0|1,0,0]=3 1665 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [1,1,0,0,0,0|1,0,0]=3 1666 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [1,1,0,0,0,0|1,0,0]=3 1667 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [1,1,0,0,0,0|2,0,0]=4 1668 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [1,1,0,0,0,0|2,0,0]=4 1669 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [1,1,0,0,0,0|2,0,0]=4 1670 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [1,1,0,0,0,0|2,0,0]=4 1671 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [1,1,0,0,0,0|2,0,0]=4 1672 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [1,1,0,0,0,0|2,0,0]=4 1673 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [1,1,0,0,0,0|2,0,0]=4 1674 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [1,1,0,0,0,0|2,0,0]=4 1675 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [1,1,0,0,0,0|2,0,0]=4 1676 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [1,1,0,0,0,0|2,0,0]=4 1677 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [1,1,0,0,0,0|2,0,0]=4 1678 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [1,1,0,0,0,0|2,0,0]=4 1679 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [1,1,0,0,0,0|2,0,0]=4 1680 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [1,1,0,0,0,0|2,0,0]=4 1681 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [1,1,0,0,0,0|2,0,0]=4 1682 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [1,1,0,0,0,0|2,0,0]=4 1683 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [1,1,0,0,0,0|2,0,0]=4 1684 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [1,1,0,0,0,0|2,0,0]=4 1685 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [1,1,0,0,0,0|1,0,0]=3 1686 B9R0.8 COCCN(C)C(=O)CO 240690a_100000743101_100000210174 [1,1,0,0,0,0|2,0,0]=4 1687 B9R0.8 COCCN(C)C(=O)CO 527a_100000743101_100000210174 [1,1,0,0,0,0|2,0,0]=4 1688 B9R0.8 COCSC(C)C(=O)OC 62a_100000211248_100000766300 [1,1,0,0,0,0|2,0,0]=4 1689 B9R0.8 COCSC(C)C(=O)OC 62a_100000766300_100000211248 [1,1,0,0,0,0|2,0,0]=4 1690 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [1,1,0,0,0,0|1,0,0]=3 1691 B9R0.8 CSCCN(C)C(=O)CO 240690a_100000686725_100000210174 [1,1,0,0,0,0|2,0,0]=4 1692 B9R0.8 CSCCN(C)C(=O)CO 527a_100000686725_100000210174 [1,1,0,0,0,0|2,0,0]=4 1693 B9R0.42 C=C(C)C(C)NC(C)CC 269862a_100000209981_100011216138 [1,1,0,0,0,0|2,0,0]=4 1694 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [1,1,0,0,0,0|2,0,0]=4 1695 B9R0.42 CC(=O)C(C)OC(C)CF 7a_100016041109_100000179758 [1,1,0,0,0,0|2,0,0]=4 1696 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [1,1,0,0,0,0|2,0,0]=4 1697 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [1,1,0,0,0,0|2,0,0]=4 1698 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [1,1,0,0,0,0|2,0,0]=4 1699 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [1,1,0,0,0,0|2,0,0]=4 1700 B9R0.42 CC(=O)N(C)CC(O)CO 240690a_100011216503_100015343762 [1,1,0,0,0,0|2,0,0]=4 1701 B9R0.42 CC(=O)N(C)CC(O)CO 527a_100011216503_100103153847 [1,1,0,0,0,0|2,0,0]=4 1702 B9R0.42 CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210202 [1,1,0,0,0,0|1,0,1]=4 1703 B9R0.42 CCC(=O)NC(C)C(=O)C 1458a_100000194823_200000210301 [1,1,0,0,0,0|1,0,1]=4 1704 B9R0.42 CCC(=O)NC(C)C(=O)[13CH3] 1458a_100000194823_200025704644 [1,1,0,0,0,0|1,0,1]=4 1705 B9R0.42 CCC(C)CC(C)N(C)C 270004a_100102631434_100011710205 [1,1,0,0,0,0|2,0,0]=4 1706 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [1,1,0,0,0,0|1,0,0]=3 1707 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [1,1,0,0,0,0|1,0,0]=3 1708 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [1,1,0,0,0,0|1,0,0]=3 1709 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [1,1,0,0,0,0|1,0,0]=3 1710 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [1,1,0,0,0,0|1,0,0]=3 1711 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [1,1,0,0,0,0|2,0,0]=4 1712 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [1,1,0,0,0,0|2,0,0]=4 1713 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [1,1,0,0,0,0|2,0,0]=4 1714 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [1,1,0,0,0,0|2,0,0]=4 1715 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [1,1,0,0,0,0|1,0,0]=3 1716 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [1,1,0,0,0,0|1,0,0]=3 1717 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [1,1,0,0,0,0|2,0,0]=4 1718 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [1,1,0,0,0,0|2,0,0]=4 1719 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [1,1,0,0,0,0|2,0,0]=4 1720 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [1,1,0,0,0,0|2,0,0]=4 1721 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [1,1,0,0,0,0|1,0,0]=3 1722 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [1,1,0,0,0,0|1,0,0]=3 1723 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [1,1,0,0,0,0|2,0,0]=4 1724 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [1,1,0,0,0,0|2,0,0]=4 1725 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [1,1,0,0,0,0|1,0,0]=3 1726 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [1,1,0,0,0,0|1,0,0]=3 1727 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [1,1,0,0,0,0|1,0,1]=4 1728 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [1,1,0,0,0,0|1,0,1]=4 1729 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009814033_100009879195 [1,1,0,0,0,0|2,0,0]=4 1730 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009879195_100009814033 [1,1,0,0,0,0|2,0,0]=4 1731 B9R0.47 C#CCCOC(C)C(=O)C 34a_100000212229_100000688953 [1,1,0,0,0,0|0,0,2]=4 1732 B9R0.47 C#CCCSC(C)C(=O)C 62a_100000688953_100009814033 [1,1,0,0,0,0|0,0,2]=4 1733 B9R0.47 C#CCCSC(C)C(=O)C 62a_100009814033_100000688953 [1,1,0,0,0,0|0,0,2]=4 1734 B9R0.47 C#CCOCC(C)C(=O)C 34a_100000032740_100000184674 [1,1,0,0,0,0|0,0,2]=4 1735 B9R0.47 C#CCOCC(C)C(=O)C 7a_100000032740_100000038162 [1,1,0,0,0,0|0,0,2]=4 1736 B9R0.47 C/C=C/COC(C)C(=O)C 34a_100000212229_100102629194 [1,1,0,0,0,0|0,0,2]=4 1737 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100009814033_100102629194 [1,1,0,0,0,0|0,0,2]=4 1738 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100102629194_100009814033 [1,1,0,0,0,0|0,0,2]=4 1739 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [1,1,0,0,0,0|1,0,0]=3 1740 B9R0.47 C=C(C)C(C)NCCCF 269862a_100015189416_100011216138 [1,1,0,0,0,0|2,0,0]=4 1741 B9R0.47 C=C(C)C(C)NCCCO 269862a_100000182051_100011216138 [1,1,0,0,0,0|2,0,0]=4 1742 B9R0.47 C=C(C)C(C)NCCOC 269862a_100000209980_100011216138 [1,1,0,0,0,0|2,0,0]=4 1743 B9R0.47 C=C(C)C(C)NCCSC 269862a_100020590264_100011216138 [1,1,0,0,0,0|2,0,0]=4 1744 B9R0.47 C=CCCNC(C)C(=O)C 2230a_100015191253_100009814033 [1,1,0,0,0,0|0,0,2]=4 1745 B9R0.47 C=CCCOC(C)C(=O)C 34a_100000212229_100000754431 [1,1,0,0,0,0|0,0,2]=4 1746 B9R0.47 C=CCCSC(C)C(=O)C 62a_100000754431_100009814033 [1,1,0,0,0,0|0,0,2]=4 1747 B9R0.47 C=CCCSC(C)C(=O)C 62a_100009814033_100000754431 [1,1,0,0,0,0|0,0,2]=4 1748 B9R0.47 C=CCOCC(C)C(=O)C 34a_100000032740_100015514636 [1,1,0,0,0,0|0,0,2]=4 1749 B9R0.47 C=CCOCC(C)C(=O)C 7a_100000032740_100015514636 [1,1,0,0,0,0|0,0,2]=4 1750 B9R0.47 CC#CCNC(C)C(=O)C 2230a_100000685387_100009814033 [1,1,0,0,0,0|0,0,2]=4 1751 B9R0.47 CC#CCOC(C)C(=O)C 34a_100000212229_100000748600 [1,1,0,0,0,0|0,0,2]=4 1752 B9R0.47 CC#CCSC(C)C(=O)C 62a_100000748600_100009814033 [1,1,0,0,0,0|0,0,2]=4 1753 B9R0.47 CC#CCSC(C)C(=O)C 62a_100009814033_100000748600 [1,1,0,0,0,0|0,0,2]=4 1754 B9R0.47 CC(=O)C(C)COCC#N 7a_100000032740_100011215382 [1,1,0,0,0,0|1,0,1]=4 1755 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [1,1,0,0,0,0|1,0,1]=4 1756 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [1,1,0,0,0,0|1,0,1]=4 1757 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [1,1,0,0,0,0|1,0,0]=3 1758 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [1,1,0,0,0,0|1,0,0]=3 1759 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [1,1,0,0,0,0|1,0,0]=3 1760 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [1,1,0,0,0,0|1,0,0]=3 1761 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [1,1,0,0,0,0|1,0,0]=3 1762 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [1,1,0,0,0,0|1,0,0]=3 1763 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [1,1,0,0,0,0|1,0,0]=3 1764 B9R0.47 CC(=O)C(C)SCCC#N 62a_100009814033_100011215226 [1,1,0,0,0,0|1,0,1]=4 1765 B9R0.47 CC(=O)C(C)SCCC#N 62a_100011215226_100009814033 [1,1,0,0,0,0|1,0,1]=4 1766 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [1,1,0,0,0,0|1,0,0]=3 1767 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [1,1,0,0,0,0|1,0,0]=3 1768 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [1,1,0,0,0,0|1,0,0]=3 1769 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [1,1,0,0,0,0|1,0,0]=3 1770 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [1,1,0,0,0,0|1,0,0]=3 1771 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [1,1,0,0,0,0|2,0,0]=4 1772 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [1,1,0,0,0,0|2,0,0]=4 1773 B9R0.47 CC(NCCCF)C(=O)N 2230a_100015189416_100000702099 [1,1,0,0,0,0|2,0,0]=4 1774 B9R0.47 CC(NCCCF)C(=O)N 34a_100015189416_100000702099 [1,1,0,0,0,0|2,0,0]=4 1775 B9R0.47 CC(OCCCBr)C(=O)N 34a_100011217188_100000702099 [1,1,0,0,0,0|2,0,0]=4 1776 B9R0.47 CC(OCCCCl)C(=O)N 34a_100000230001_100000702099 [1,1,0,0,0,0|2,0,0]=4 1777 B9R0.47 CC(OCCCF)C(=O)N 34a_100000759539_100000702099 [1,1,0,0,0,0|2,0,0]=4 1778 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [1,1,0,0,0,0|2,0,0]=4 1779 B9R0.47 CC(SCCCF)C(=O)N 62a_100000702099_100011934791 [1,1,0,0,0,0|2,0,0]=4 1780 B9R0.47 CC(SCCCF)C(=O)N 62a_100011934791_100000702099 [1,1,0,0,0,0|2,0,0]=4 1781 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [1,1,0,0,0,0|2,0,0]=4 1782 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [1,1,0,0,0,0|2,0,0]=4 1783 B9R0.47 CC=CCOC(C)C(=O)C 34a_100000212229_100000070051 [1,1,0,0,0,0|0,0,2]=4 1784 B9R0.47 CC=CCSC(C)C(=O)C 62a_100000070051_100009814033 [1,1,0,0,0,0|0,0,2]=4 1785 B9R0.47 CC=CCSC(C)C(=O)C 62a_100009814033_100000070051 [1,1,0,0,0,0|0,0,2]=4 1786 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [1,1,0,0,0,0|0,0,0]=2 1787 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [1,1,0,0,0,0|0,0,0]=2 1788 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [1,1,0,0,0,0|0,0,0]=2 1789 B9R0.47 CCCCCC(C)N(C)C 2230a_100102631434_200011218191 [1,1,0,0,0,0|2,0,0]=4 1790 B9R0.47 CCCCCC(C)N(C)C 269982a_100102631434_200011218191 [1,1,0,0,0,0|2,0,0]=4 1791 B9R0.47 CCCCCC(C)N(C)C 270004a_100102631434_100000211708 [1,1,0,0,0,0|2,0,0]=4 1792 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [1,1,0,0,0,0|1,0,0]=3 1793 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [1,1,0,0,0,0|1,0,0]=3 1794 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [1,1,0,0,0,0|1,0,0]=3 1795 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [1,1,0,0,0,0|1,0,0]=3 1796 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [1,1,0,0,0,0|0,0,0]=2 1797 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [1,1,0,0,0,0|0,0,0]=2 1798 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [1,1,0,0,0,0|1,0,0]=3 1799 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [1,1,0,0,0,0|1,0,0]=3 1800 B9R0.47 CCCCNC(C)C(C)C 2230a_100000211541_100000210211 [1,1,0,0,0,0|1,0,1]=4 1801 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [1,1,0,0,0,0|2,0,0]=4 1802 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [1,1,0,0,0,0|2,0,0]=4 1803 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [1,1,0,0,0,0|1,0,0]=3 1804 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [1,1,0,0,0,0|1,0,0]=3 1805 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [1,1,0,0,0,0|1,0,0]=3 1806 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [1,1,0,0,0,0|0,0,0]=2 1807 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [1,1,0,0,0,0|0,0,0]=2 1808 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [1,1,0,0,0,0|1,0,0]=3 1809 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [1,1,0,0,0,0|1,0,0]=3 1810 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [1,1,0,0,0,0|1,0,1]=4 1811 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [1,1,0,0,0,0|2,0,0]=4 1812 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [1,1,0,0,0,0|2,0,0]=4 1813 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [1,1,0,0,0,0|2,0,0]=4 1814 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [1,1,0,0,0,0|1,0,0]=3 1815 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [1,1,0,0,0,0|1,0,0]=3 1816 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [1,1,0,0,0,0|1,0,0]=3 1817 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [1,1,0,0,0,0|0,0,0]=2 1818 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [1,1,0,0,0,0|0,0,0]=2 1819 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [1,1,0,0,0,0|0,0,0]=2 1820 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [1,1,0,0,0,0|1,0,0]=3 1821 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [1,1,0,0,0,0|1,0,0]=3 1822 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [1,1,0,0,0,0|0,0,0]=2 1823 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [1,1,0,0,0,0|2,0,0]=4 1824 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [1,1,0,0,0,0|2,0,0]=4 1825 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [1,1,0,0,0,0|2,0,0]=4 1826 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [1,1,0,0,0,0|2,0,0]=4 1827 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [1,1,0,0,0,0|1,0,0]=3 1828 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [1,1,0,0,0,0|2,0,0]=4 1829 B9R0.47 CCCNCC(O)C(C)C 2230a_100000759067_100000210303 [1,1,0,0,0,0|1,0,1]=4 1830 B9R0.47 CCCNCC(O)C(C)C 34a_100000759067_100000210303 [1,1,0,0,0,0|1,0,1]=4 1831 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [1,1,0,0,0,0|0,0,2]=4 1832 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [1,1,0,0,0,0|0,0,0]=2 1833 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [1,1,0,0,0,0|0,0,0]=2 1834 B9R0.47 CCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210303 [1,1,0,0,0,0|2,0,0]=4 1835 B9R0.47 CCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210303 [1,1,0,0,0,0|2,0,0]=4 1836 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [1,1,0,0,0,0|2,0,0]=4 1837 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [1,1,0,0,0,0|0,0,2]=4 1838 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [1,1,0,0,0,0|0,0,2]=4 1839 B9R0.47 CCCSCC(C)N(C)C 270004a_100102631434_100011343953 [1,1,0,0,0,0|2,0,0]=4 1840 B9R0.47 CCOCCC(C)N(C)C 270004a_100102631434_200011216536 [1,1,0,0,0,0|2,0,0]=4 1841 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [1,1,0,0,0,0|2,0,0]=4 1842 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [1,1,0,0,0,0|1,0,0]=3 1843 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [1,1,0,0,0,0|1,0,0]=3 1844 B9R0.47 CCOCSC(C)C(=O)N 62a_100000702099_100000739092 [1,1,0,0,0,0|2,0,0]=4 1845 B9R0.47 CCOCSC(C)C(=O)N 62a_100000739092_100000702099 [1,1,0,0,0,0|2,0,0]=4 1846 B9R0.47 COCCCN(C)C(=O)C 11a_100000224831_100015343762 [1,1,0,0,0,0|1,0,0]=3 1847 B9R0.47 COCCCN(C)C(=O)C 1626a_100000224831_100015343762 [1,1,0,0,0,0|1,0,0]=3 1848 B9R0.47 COCCCN(C)C(=O)C 240690a_100000224831_100015343762 [1,1,0,0,0,0|1,0,0]=3 1849 B9R0.47 COCCCN(C)C(=O)C 527a_100000224831_100103153847 [1,1,0,0,0,0|1,0,0]=3 1850 B9R0.47 COCCNC(C)C(=O)C 2230a_100000209980_100009814033 [1,1,0,0,0,0|1,0,0]=3 1851 B9R0.47 COCCNC(C)C(=O)N 2230a_100000209980_100000702099 [1,1,0,0,0,0|2,0,0]=4 1852 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [1,1,0,0,0,0|2,0,0]=4 1853 B9R0.47 COCCN[C@H](C)C(=O)N 2230a_100000119354_100011201679 [1,1,0,0,0,0|2,0,0]=4 1854 B9R0.47 COCCN[C@H](C)C(=O)N 34a_100000119354_100011201679 [1,1,0,0,0,0|2,0,0]=4 1855 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [1,1,0,0,0,0|1,0,0]=3 1856 B9R0.47 COCCOC(C)C(=O)N 34a_100000210237_100000702099 [1,1,0,0,0,0|2,0,0]=4 1857 B9R0.47 COCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000233755 [1,1,0,0,0,0|2,0,0]=4 1858 B9R0.47 COCCO[C@H](C)C(=O)N 34a_100000731257_100011201679 [1,1,0,0,0,0|2,0,0]=4 1859 B9R0.47 COCCO[C@H](C)C(=O)N 7a_100000731257_100000233755 [1,1,0,0,0,0|2,0,0]=4 1860 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [1,1,0,0,0,0|1,0,0]=3 1861 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [1,1,0,0,0,0|1,0,0]=3 1862 B9R0.47 COCCSC(C)C(=O)N 62a_100000233755_100000702099 [1,1,0,0,0,0|2,0,0]=4 1863 B9R0.47 COCCSC(C)C(=O)N 62a_100000702099_100000233755 [1,1,0,0,0,0|2,0,0]=4 1864 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [1,1,0,0,0,0|2,0,0]=4 1865 B9R0.47 CSCCCC(C)N(C)C 270004a_100102631434_100011399439 [1,1,0,0,0,0|2,0,0]=4 1866 B9R0.47 CSCCNC(C)C(=O)C 2230a_100020590264_100009814033 [1,1,0,0,0,0|1,0,0]=3 1867 B9R0.47 CSCCNC(C)C(=O)N 2230a_100020590264_100000702099 [1,1,0,0,0,0|2,0,0]=4 1868 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [1,1,0,0,0,0|2,0,0]=4 1869 B9R0.47 CSCCN[C@H](C)C(=O)N 2230a_100000119354_100000751147 [1,1,0,0,0,0|2,0,0]=4 1870 B9R0.47 CSCCN[C@H](C)C(=O)N 34a_100000119354_100000212216 [1,1,0,0,0,0|2,0,0]=4 1871 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [1,1,0,0,0,0|1,0,0]=3 1872 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [1,1,0,0,0,0|1,0,0]=3 1873 B9R0.47 CSCCOC(C)C(=O)N 34a_100000230434_100000702099 [1,1,0,0,0,0|2,0,0]=4 1874 B9R0.47 CSCCOC(C)C(=O)N 7a_100000230434_100000702099 [1,1,0,0,0,0|2,0,0]=4 1875 B9R0.47 CSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000212216 [1,1,0,0,0,0|2,0,0]=4 1876 B9R0.47 CSCCO[C@H](C)C(=O)N 34a_100000731257_100000212216 [1,1,0,0,0,0|2,0,0]=4 1877 B9R0.47 CSCCO[C@H](C)C(=O)N 7a_100000731257_100000212216 [1,1,0,0,0,0|2,0,0]=4 1878 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [1,1,0,0,0,0|1,0,0]=3 1879 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [1,1,0,0,0,0|1,0,0]=3 1880 B9R0.47 CSCCSC(C)C(=O)N 62a_100000212216_100000702099 [1,1,0,0,0,0|2,0,0]=4 1881 B9R0.47 CSCCSC(C)C(=O)N 62a_100000702099_100000751147 [1,1,0,0,0,0|2,0,0]=4 1882 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [1,1,0,0,0,0|2,0,0]=4 1883 B9R0.47 CSCOCC(C)C(=O)C 34a_100000032740_100011218213 [1,1,0,0,0,0|1,0,0]=3 1884 B9R0.47 C[C@@H](NCCCF)C(=O)N 2230a_100000119354_100011934791 [1,1,0,0,0,0|2,0,0]=4 1885 B9R0.47 C[C@@H](NCCCF)C(=O)N 34a_100000119354_100011934791 [1,1,0,0,0,0|2,0,0]=4 1886 B9R0.47 C[C@@H](NCCCO)C(=O)N 2230a_100000119354_100000230001 [1,1,0,0,0,0|2,0,0]=4 1887 B9R0.47 C[C@@H](NCCCO)C(=O)N 34a_100000119354_100000230001 [1,1,0,0,0,0|2,0,0]=4 1888 B9R0.47 C[C@@H](OCCCF)C(=O)N 34a_100000731257_100011934791 [1,1,0,0,0,0|2,0,0]=4 1889 B9R0.47 C[C@@H](OCCCF)C(=O)N 7a_100000731257_100011934791 [1,1,0,0,0,0|2,0,0]=4 1890 B9R0.47 C[C@@H](OCCCO)C(=O)N 34a_100000731257_100000230001 [1,1,0,0,0,0|2,0,0]=4 1891 B9R0.47 C[C@@H](OCCCO)C(=O)N 7a_100000731257_100011215043 [1,1,0,0,0,0|2,0,0]=4 1892 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [1,1,0,0,0,0|2,0,0]=4 1893 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [1,1,0,0,0,0|2,0,0]=4 1894 B9R0.47 C[C@H](OCCCF)C(=O)[O-] 7a_217856618621_100011934791 [1,1,0,0,0,0|2,0,0]=4 1895 B9R0.47 C[C@H](OCCCO)C(=O)[O-] 7a_217856618621_100011215043 [1,1,0,0,0,0|2,0,0]=4 1896 B9R0.51 CC(=O)C(C)(C)OCCF 34a_100000747739_100011217306 [1,1,0,0,0,0|2,0,0]=4 1897 B9R0.51 CC(=O)C(C)(C)OCCF 7a_100000747739_100011217306 [1,1,0,0,0,0|2,0,0]=4 1898 B9R0.51 CC(=O)C(C)(C)OCCO 34a_100000747739_100000211926 [1,1,0,0,0,0|2,0,0]=4 1899 B9R0.51 CC(=O)C(C)(C)OCCO 7a_100000747739_100000211926 [1,1,0,0,0,0|2,0,0]=4 1900 B9R0.51 CC(=O)C(C)(C)SCCF 62a_100000075568_100011217306 [1,1,0,0,0,0|2,0,0]=4 1901 B9R0.51 CC(=O)C(C)(C)SCCF 62a_100011217306_100000075568 [1,1,0,0,0,0|2,0,0]=4 1902 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000075568_100000211926 [1,1,0,0,0,0|2,0,0]=4 1903 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000211926_100000075568 [1,1,0,0,0,0|2,0,0]=4 1904 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [1,1,0,0,0,0|0,0,0]=2 1905 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [1,1,0,0,0,0|0,0,0]=2 1906 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [1,1,0,0,0,0|0,0,0]=2 1907 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [1,1,0,0,0,0|0,0,0]=2 1908 B9R0.51 CCCCC(F)(F)C(=O)C 1458a_100000100317_200000210301 [1,1,0,0,0,0|1,0,0]=3 1909 B9R0.51 CCCCC(F)(F)C(=O)[13CH3] 1458a_100000100317_200025704644 [1,1,0,0,0,0|1,0,0]=3 1910 B9R0.51 CCCNC(C)(C)C(=O)N 2230a_100000743658_100000210303 [1,1,0,0,0,0|2,0,0]=4 1911 B9R0.51 CCCNC(C)(C)C(=O)N 34a_100000743658_100000210303 [1,1,0,0,0,0|2,0,0]=4 1912 B9R0.51 CCCOC(C)(C)C(=O)C 34a_100000747739_100000210303 [1,1,0,0,0,0|1,0,0]=3 1913 B9R0.51 CCCOC(C)(C)C(=O)C 7a_100000747739_100000210303 [1,1,0,0,0,0|1,0,0]=3 1914 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100000210258_100000702505 [1,1,0,0,0,0|2,0,0]=4 1915 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100011626353_100000210303 [1,1,0,0,0,0|2,0,0]=4 1916 B9R0.51 CCCOC(C)(C)C(=O)N 7a_100011626353_100000210303 [1,1,0,0,0,0|2,0,0]=4 1917 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000075568_100000210303 [1,1,0,0,0,0|1,0,0]=3 1918 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000210303_100000075568 [1,1,0,0,0,0|1,0,0]=3 1919 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000210303_100000702505 [1,1,0,0,0,0|2,0,0]=4 1920 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000702505_100000210303 [1,1,0,0,0,0|2,0,0]=4 1921 B9R0.51 CCNCC(C)(C)C(=O)N 2230a_100000740840_100000210202 [1,1,0,0,0,0|2,0,0]=4 1922 B9R0.51 CCNCC(C)(C)C(=O)N 34a_100000740840_100000210202 [1,1,0,0,0,0|2,0,0]=4 1923 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [1,1,0,0,0,0|2,0,0]=4 1924 B9R0.51 CCOCC(C)(C)C(=O)N 34a_100121572206_200009895572 [1,1,0,0,0,0|2,0,0]=4 1925 B9R0.51 CCSCC(C)(C)C(=O)N 62a_100000210202_200009895572 [1,1,0,0,0,0|2,0,0]=4 1926 B9R0.51 CCSCC(C)(C)C(=O)N 62a_200009895572_100000210202 [1,1,0,0,0,0|2,0,0]=4 1927 B9R0.51 COCSC(C)(C)C(=O)C 62a_100000075568_100000766300 [1,1,0,0,0,0|2,0,0]=4 1928 B9R0.51 COCSC(C)(C)C(=O)C 62a_100000766300_100000075568 [1,1,0,0,0,0|2,0,0]=4 1929 B9R0.51 CSCOC(C)(C)C(=O)C 34a_100000747739_100011218213 [1,1,0,0,0,0|2,0,0]=4 1930 B9R0.51 CSCSC(C)(C)C(=O)C 62a_100000075568_100011218213 [1,1,0,0,0,0|2,0,0]=4 1931 B9R0.51 CSCSC(C)(C)C(=O)C 62a_100011218213_100000075568 [1,1,0,0,0,0|2,0,0]=4 1932 B9R0.26 C=C[C@@H](CO)NC(C)CC 2230a_100016989147_100000758301 [1,1,0,0,0,0|1,0,1]=4 1933 B9R0.26 C=C[C@@H](CO)NC(C)CC 34a_100016989147_100011215416 [1,1,0,0,0,0|1,0,1]=4 1934 B9R0.26 CCC(C)CC(CC)NC 270004a_106832991635_100000184709 [1,1,0,0,0,0|2,0,0]=4 1935 B9R0.26 CCC(C)CC(CC)OC 7a_200011216566_200000210301 [1,1,0,0,0,0|2,0,0]=4 1936 B9R0.26 CCC(C)CC(CC)O[13CH3] 7a_200011216566_200025704644 [1,1,0,0,0,0|2,0,0]=4 1937 B9R0.26 CCC(C)N[C@@H](CC)CO 2230a_100000709445_100000758301 [1,1,0,0,0,0|1,0,1]=4 1938 B9R0.37 CCCC(C)C(CC)OC 34a_200011218412_200000210301 [1,1,0,0,0,0|2,0,0]=4 1939 B9R0.37 CCCC(C)C(CC)OC 7a_200011218412_200000210301 [1,1,0,0,0,0|2,0,0]=4 1940 B9R0.37 CCCC(C)C(CC)O[13CH3] 34a_200011218412_200025704644 [1,1,0,0,0,0|2,0,0]=4 1941 B9R0.37 CCCC(C)C(CC)O[13CH3] 7a_200011218412_200025704644 [1,1,0,0,0,0|2,0,0]=4 1942 B9R0.40 C=CC(CCCC)OCC 34a_200011215037_100000210202 [1,1,0,0,0,0|1,0,1]=4 1943 B9R0.40 C=CC(CCCC)OCC 7a_200011215037_100000210202 [1,1,0,0,0,0|1,0,1]=4 1944 B9R0.40 C=CC(CCCC)OCF 34a_200011215037_100015361967 [1,1,0,0,0,0|1,0,1]=4 1945 B9R0.40 C=CC(CCCC)OCF 7a_200011215037_100015361967 [1,1,0,0,0,0|1,0,1]=4 1946 B9R0.40 C=CCC(CCCC)OC 34a_200011216941_200000210301 [1,1,0,0,0,0|2,0,0]=4 1947 B9R0.40 C=CCC(CCCC)OC 7a_200011216941_200000210301 [1,1,0,0,0,0|2,0,0]=4 1948 B9R0.40 C=CCC(CCCC)O[13CH3] 34a_200011216941_200025704644 [1,1,0,0,0,0|2,0,0]=4 1949 B9R0.40 C=CCC(CCCC)O[13CH3] 7a_200011216941_200025704644 [1,1,0,0,0,0|2,0,0]=4 1950 B9R0.40 C=CC[C@H](CO)NCCC 2230a_100020615467_100000210303 [1,1,0,0,0,0|1,0,1]=4 1951 B9R0.40 CCCCC(CC)CNC 2230a_100000209976_200000210301 [1,1,0,0,0,0|1,0,1]=4 1952 B9R0.40 CCCCC(CC)CNC 2230a_106832991635_100000211942 [1,1,0,0,0,0|1,0,1]=4 1953 B9R0.40 CCCCC(CC)CNC 269862a_106832991636_100011219736 [1,1,0,0,0,0|1,0,1]=4 1954 B9R0.40 CCCCC(CC)CNC 270004a_106832991635_100011219736 [1,1,0,0,0,0|1,0,1]=4 1955 B9R0.40 CCCCC(CC)CNC 34a_100102657272_100000211942 [1,1,0,0,0,0|1,0,1]=4 1956 B9R0.40 CCCCC(CC)CNC 7a_106832991635_100000211942 [1,1,0,0,0,0|1,0,1]=4 1957 B9R0.40 CCCCC(CC)CN[13CH3] 2230a_100000209976_200025704644 [1,1,0,0,0,0|1,0,1]=4 1958 B9R0.40 CCCCC(CC)COC 34a_100000210273_200000210301 [1,1,0,0,0,0|0,0,1]=3 1959 B9R0.40 CCCCC(CC)COC 34a_100138415774_100000211942 [1,1,0,0,0,0|0,0,1]=3 1960 B9R0.40 CCCCC(CC)COC 7a_100000210273_200000210301 [1,1,0,0,0,0|0,0,1]=3 1961 B9R0.40 CCCCC(CC)CO[13CH3] 34a_100000210273_200025704644 [1,1,0,0,0,0|0,0,1]=3 1962 B9R0.40 CCCCC(CC)CO[13CH3] 7a_100000210273_200025704644 [1,1,0,0,0,0|0,0,1]=3 1963 B9R0.40 CCCCC(CC)CSC 62a_100000211942_200000210301 [1,1,0,0,0,0|0,1,1]=4 1964 B9R0.40 CCCCC(CC)CSC 62a_200000210301_100000211942 [1,1,0,0,0,0|0,1,1]=4 1965 B9R0.40 CCCCC(CC)CS[13CH3] 62a_100000211942_200025704644 [1,1,0,0,0,0|0,1,1]=4 1966 B9R0.40 CCCCC(CC)CS[13CH3] 62a_200025704644_100000211942 [1,1,0,0,0,0|0,1,1]=4 1967 B9R0.40 CCCCC(CC)NCC 270004a_100015525214_100000753412 [1,1,0,0,0,0|1,0,1]=4 1968 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [1,1,0,0,0,0|1,0,1]=4 1969 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [1,1,0,0,0,0|1,0,1]=4 1970 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [1,1,0,0,0,0|1,0,1]=4 1971 B9R0.40 CCCCC(CC)OCF 34a_100011215227_100015361967 [1,1,0,0,0,0|1,0,1]=4 1972 B9R0.40 CCCCC(CC)OCF 7a_100011215227_100015361967 [1,1,0,0,0,0|1,0,1]=4 1973 B9R0.40 CCCCC(CC)SCC 62a_100000210202_200011216223 [1,1,0,0,0,0|1,0,1]=4 1974 B9R0.40 CCCCC(CC)SCC 62a_200011216223_100000210202 [1,1,0,0,0,0|1,0,1]=4 1975 B9R0.40 CCCCC(CC)SCF 62a_100015361967_200011216223 [1,1,0,0,0,0|1,0,1]=4 1976 B9R0.40 CCCCC(CC)SCF 62a_200011216223_100015361967 [1,1,0,0,0,0|1,0,1]=4 1977 B9R0.40 CCCCC(CCC)NC 34a_100102657272_100000211913 [1,1,0,0,0,0|2,0,0]=4 1978 B9R0.40 CCCCC(CCC)NC 7a_106832991635_100000211913 [1,1,0,0,0,0|2,0,0]=4 1979 B9R0.40 CCCCC(CCC)OC 34a_100011215800_200000210301 [1,1,0,0,0,0|2,0,0]=4 1980 B9R0.40 CCCCC(CCC)OC 34a_100138415774_100000211913 [1,1,0,0,0,0|2,0,0]=4 1981 B9R0.40 CCCCC(CCC)OC 7a_100011215800_200000210301 [1,1,0,0,0,0|2,0,0]=4 1982 B9R0.40 CCCCC(CCC)O[13CH3] 34a_100011215800_200025704644 [1,1,0,0,0,0|2,0,0]=4 1983 B9R0.40 CCCCC(CCC)O[13CH3] 7a_100011215800_200025704644 [1,1,0,0,0,0|2,0,0]=4 1984 B9R0.40 CCCCC(CCC)SC 62a_100000211913_200000210301 [1,1,0,0,0,0|2,0,0]=4 1985 B9R0.40 CCCCC(CCC)SC 62a_200000210301_100000211913 [1,1,0,0,0,0|2,0,0]=4 1986 B9R0.40 CCCCC(CCC)S[13CH3] 62a_100000211913_200025704644 [1,1,0,0,0,0|2,0,0]=4 1987 B9R0.40 CCCCC(CCC)S[13CH3] 62a_200025704644_100000211913 [1,1,0,0,0,0|2,0,0]=4 1988 B9R0.40 CCCCN(CC)CC=O 2230a_100000207695_200015260668 [1,1,0,0,0,0|2,0,0]=4 1989 B9R0.40 CCCCN(CC)CC=O 269982a_100000207695_200015260668 [1,1,0,0,0,0|2,0,0]=4 1990 B9R0.40 CCCCN(CC)CCO 2230a_100000198060_100000210202 [1,1,0,0,0,0|1,0,1]=4 1991 B9R0.40 CCCCN(CC)CCO 2230a_100000207695_100000211926 [1,1,0,0,0,0|1,0,1]=4 1992 B9R0.40 CCCCN(CC)CCO 2230a_100000210973_100000210211 [1,1,0,0,0,0|1,0,1]=4 1993 B9R0.40 CCCCN(CC)CCO 269982a_100000198060_100000204670 [1,1,0,0,0,0|1,0,1]=4 1994 B9R0.40 CCCCN(CC)CCO 269982a_100000207695_100000211926 [1,1,0,0,0,0|1,0,1]=4 1995 B9R0.40 CCCCN(CC)CCO 269982a_100000210973_100000210211 [1,1,0,0,0,0|1,0,1]=4 1996 B9R0.40 CCCCN(CC)COC 2230a_100000207695_100000766300 [1,1,0,0,0,0|1,0,1]=4 1997 B9R0.40 CCCCN(CC)COC 269982a_100000207695_100000766300 [1,1,0,0,0,0|1,0,1]=4 1998 B9R0.40 CCCC[C@@H](CO)NCC 2230a_100011934283_100000210202 [1,1,0,0,0,0|0,0,1]=3 1999 B9R0.40 CCCC[C@@H](CO)NCC 34a_100011934283_100000210202 [1,1,0,0,0,0|0,0,1]=3 2000 B9R0.40 CCCC[C@@H](CO)NCF 34a_100011934283_100015361967 [1,1,0,0,0,0|1,0,0]=3 2001 B9R0.40 CCCNC(CC)COC 2230a_100000757820_100000210303 [1,1,0,0,0,0|1,0,1]=4 2002 B9R0.40 CCCNC(CC)COC 270004a_100020643023_100000757811 [1,1,0,0,0,0|1,0,1]=4 2003 B9R0.40 CCCNC(CO)COC 2230a_100000724102_100000210303 [1,1,0,0,0,0|1,0,1]=4 2004 B9R0.40 CCCNC(CO)COC 34a_100000724102_100000210303 [1,1,0,0,0,0|1,0,1]=4 2005 B9R0.40 CCCN[C@H](CO)CCC 2230a_100000732646_100000210303 [1,1,0,0,0,0|1,0,1]=4 2006 B9R0.40 CCCN[C@H](CO)CCC 34a_100000732646_100000210303 [1,1,0,0,0,0|1,0,1]=4 2007 B9R0.40 CCCOC(CC)COC 7a_200011214946_100000210303 [1,1,0,0,0,0|1,0,1]=4 2008 B9R0.40 CCN[C@H](CO)CCSC 2230a_100011827619_100000210202 [1,1,0,0,0,0|1,0,1]=4 2009 B9R0.43 C=C[C@@H](CO)NCC(C)C 2230a_100016989147_100000210760 [1,1,0,0,0,0|1,0,1]=4 2010 B9R0.43 C=C[C@@H](CO)NCC(C)C 270004a_100016989147_100000210432 [1,1,0,0,0,0|1,0,1]=4 2011 B9R0.43 C=C[C@@H](CO)NCC(C)C 34a_100016989147_100000210624 [1,1,0,0,0,0|1,0,1]=4 2012 B9R0.43 C=C[C@@H](CO)NCC(C)O 2230a_100016989147_100011218427 [1,1,0,0,0,0|1,0,1]=4 2013 B9R0.43 C=C[C@@H](CO)NCC(C)O 34a_100016989147_100011218427 [1,1,0,0,0,0|1,0,1]=4 2014 B9R0.43 C=C[C@@H](CO)NC[C@@H](C)O 2230a_100016989147_100009817552 [1,1,0,0,0,0|1,0,1]=4 2015 B9R0.43 C=C[C@@H](CO)NC[C@@H](C)O 34a_100016989147_100009817552 [1,1,0,0,0,0|1,0,1]=4 2016 B9R0.43 CCC(CCC(C)C)OC 34a_100011216567_200000210301 [1,1,0,0,0,0|2,0,0]=4 2017 B9R0.43 CCC(CCC(C)C)OC 7a_100011216567_200000210301 [1,1,0,0,0,0|2,0,0]=4 2018 B9R0.43 CCC(CCC(C)C)O[13CH3] 34a_100011216567_200025704644 [1,1,0,0,0,0|2,0,0]=4 2019 B9R0.43 CCC(CCC(C)C)O[13CH3] 7a_100011216567_200025704644 [1,1,0,0,0,0|2,0,0]=4 2020 B9R0.43 CC[C@@H](CO)NCC(C)C 2230a_100000709445_100000210760 [1,1,0,0,0,0|1,0,1]=4 2021 B9R0.43 CC[C@@H](CO)NCC(C)C 270004a_100000709445_100000210432 [1,1,0,0,0,0|1,0,1]=4 2022 B9R0.43 CC[C@@H](CO)NCC(C)O 2230a_100000709445_100011218427 [1,1,0,0,0,0|1,0,1]=4 2023 B9R0.43 CC[C@@H](CO)NC[C@@H](C)O 2230a_100000709445_100009817552 [1,1,0,0,0,0|1,0,1]=4 2024 B9R0.50 C=CC(CC)OCCCC 34a_100000766422_100000210210 [1,1,0,0,0,0|1,0,1]=4 2025 B9R0.50 C=CC(CC)OCCCC 7a_100000766422_100000210211 [1,1,0,0,0,0|1,0,1]=4 2026 B9R0.50 C=C[C@@H](CO)NCCCC 2230a_100016989147_100000210211 [1,1,0,0,0,0|0,0,1]=3 2027 B9R0.50 C=C[C@@H](CO)NCCCC 34a_100016989147_100000210210 [1,1,0,0,0,0|0,0,1]=3 2028 B9R0.50 C=C[C@@H](CO)NCCCF 2230a_100016989147_100011934791 [1,1,0,0,0,0|1,0,1]=4 2029 B9R0.50 C=C[C@@H](CO)NCCCF 34a_100016989147_100011934791 [1,1,0,0,0,0|1,0,1]=4 2030 B9R0.50 C=C[C@@H](CO)NCCCO 2230a_100016989147_100000230001 [1,1,0,0,0,0|1,0,1]=4 2031 B9R0.50 C=C[C@@H](CO)NCCCO 34a_100016989147_100000230001 [1,1,0,0,0,0|1,0,1]=4 2032 B9R0.50 C=C[C@@H](CO)NCCOC 2230a_100016989147_100011201679 [1,1,0,0,0,0|1,0,1]=4 2033 B9R0.50 C=C[C@@H](CO)NCCOC 34a_100016989147_100011201679 [1,1,0,0,0,0|1,0,1]=4 2034 B9R0.50 C=C[C@@H](CO)NCCSC 2230a_100016989147_100000751147 [1,1,0,0,0,0|1,0,1]=4 2035 B9R0.50 C=C[C@@H](CO)NCCSC 34a_100016989147_100000212216 [1,1,0,0,0,0|1,0,1]=4 2036 B9R0.50 CCCCCC(CC)NC 270004a_106832991635_100011215316 [1,1,0,0,0,0|2,0,0]=4 2037 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [1,1,0,0,0,0|2,0,0]=4 2038 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [1,1,0,0,0,0|2,0,0]=4 2039 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [1,1,0,0,0,0|2,0,0]=4 2040 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [1,1,0,0,0,0|2,0,0]=4 2041 B9R0.50 CCCCNC(C=O)C=O 2230a_100000102301_100000736813 [1,1,0,0,0,0|0,0,2]=4 2042 B9R0.50 CCCCNC(CC)CC 2230a_100000199018_100000210211 [1,1,0,0,0,0|1,0,1]=4 2043 B9R0.50 CCCCNC(CC)CC 270004a_100000102301_100000210860 [1,1,0,0,0,0|1,0,1]=4 2044 B9R0.50 CCCCNC(CC)CC 7a_106832991798_100000210505 [1,1,0,0,0,0|1,0,1]=4 2045 B9R0.50 CCCCNC(CO)CO 2230a_100000759517_100000210211 [1,1,0,0,0,0|0,0,2]=4 2046 B9R0.50 CCCCN[C@@H](CC)CO 2230a_100000709445_100000210211 [1,1,0,0,0,0|0,0,1]=3 2047 B9R0.50 CCCCOC(C=O)C=O 34a_100000210227_100000736813 [1,1,0,0,0,0|0,0,2]=4 2048 B9R0.50 CCCCOC(CC)CC 7a_100000210227_100000210505 [1,1,0,0,0,0|1,0,1]=4 2049 B9R0.50 CCCCOC(CC)CC 7a_100000688536_100000210211 [1,1,0,0,0,0|1,0,1]=4 2050 B9R0.50 CCCCSC(C=O)C=O 62a_100000210211_100000736813 [1,1,0,0,0,0|0,0,2]=4 2051 B9R0.50 CCCCSC(C=O)C=O 62a_100000736813_100000210210 [1,1,0,0,0,0|0,0,2]=4 2052 B9R0.50 CCCCSC(CC)CC 62a_100000210211_100000210505 [1,1,0,0,0,0|1,0,1]=4 2053 B9R0.50 CCCCSC(CC)CC 62a_100000210505_100000210210 [1,1,0,0,0,0|1,0,1]=4 2054 B9R0.50 CCCNCC(CC)CC 2230a_100102946423_100000210303 [1,1,0,0,0,0|1,0,1]=4 2055 B9R0.50 CCCNCC(CC)CC 269862a_100020643023_100000211137 [1,1,0,0,0,0|1,0,1]=4 2056 B9R0.50 CCCNCC(CC)CC 270004a_100020643023_100000211137 [1,1,0,0,0,0|1,0,1]=4 2057 B9R0.50 CCCOCC(CC)CC 34a_100000210258_100011215472 [1,1,0,0,0,0|1,0,1]=4 2058 B9R0.50 CCCOCC(CC)CC 7a_100000703878_100000210303 [1,1,0,0,0,0|1,0,1]=4 2059 B9R0.50 CCCOCC(CC)OC 34a_100011934954_100000210303 [1,1,0,0,0,0|2,0,0]=4 2060 B9R0.50 CCCOCC(CC)OC 7a_100011934954_100000210303 [1,1,0,0,0,0|2,0,0]=4 2061 B9R0.50 CCCSCC(CC)CC 62a_100000210303_100011215472 [1,1,0,0,0,0|1,0,1]=4 2062 B9R0.50 CCCSCC(CC)CC 62a_100011215472_100000210303 [1,1,0,0,0,0|1,0,1]=4 2063 B9R0.50 CC[C@@H](CO)NCCCF 2230a_100000709445_100011934791 [1,1,0,0,0,0|1,0,1]=4 2064 B9R0.50 CC[C@@H](CO)NCCCO 2230a_100000709445_100000230001 [1,1,0,0,0,0|1,0,1]=4 2065 B9R0.50 CC[C@@H](CO)NCCOC 2230a_100000709445_100011201679 [1,1,0,0,0,0|1,0,1]=4 2066 B9R0.50 CC[C@@H](CO)NCCSC 2230a_100000709445_100000751147 [1,1,0,0,0,0|1,0,1]=4 2067 B9R0.67 CCCCC(C)(CC)OC 7a_200011218725_200000210301 [1,1,0,0,0,0|2,0,0]=4 2068 B9R0.67 CCCCC(C)(CC)O[13CH3] 7a_200011218725_200025704644 [1,1,0,0,0,0|2,0,0]=4 2069 B9R0.12 C#CC(=O)C(CC)CCC 1458a_100000211873_100011219200 [1,1,0,0,0,0|1,0,1]=4 2070 B9R0.12 C=CC(=O)C(CC)CCC 1458a_100000185746_100011219200 [1,1,0,0,0,0|1,0,1]=4 2071 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [1,1,0,0,0,0|1,0,0]=3 2072 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [1,1,0,0,0,0|1,0,0]=3 2073 B9R0.12 CCCC(CC)C(=O)CF 1458a_100011416436_100015361967 [1,1,0,0,0,0|1,0,0]=3 2074 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [1,1,0,0,0,0|1,0,0]=3 2075 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [1,1,0,0,0,0|1,0,0]=3 2076 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [1,1,0,0,0,0|1,0,0]=3 2077 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [1,1,0,0,0,0|1,0,0]=3 2078 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [1,1,0,0,0,0|1,0,0]=3 2079 B9R0.12 CCCC(NC)C(=O)NC 2230a_106256046333_200000210301 [1,1,0,0,0,0|2,0,0]=4 2080 B9R0.12 CCCC(NC)C(=O)NC 34a_106256046333_200000210301 [1,1,0,0,0,0|2,0,0]=4 2081 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [1,1,0,0,0,0|2,0,0]=4 2082 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [1,1,0,0,0,0|2,0,0]=4 2083 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [1,1,0,0,0,0|2,0,0]=4 2084 B9R0.12 CCCC(N[13CH3])C(=O)NC 2230a_106256046333_200025704644 [1,1,0,0,0,0|2,0,0]=4 2085 B9R0.12 CCCC(N[13CH3])C(=O)NC 34a_106256046333_200025704644 [1,1,0,0,0,0|2,0,0]=4 2086 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [1,1,0,0,0,0|2,0,0]=4 2087 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [1,1,0,0,0,0|2,0,0]=4 2088 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [1,1,0,0,0,0|2,0,0]=4 2089 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [1,1,0,0,0,0|2,0,0]=4 2090 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [1,1,0,0,0,0|2,0,0]=4 2091 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 2092 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 2093 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 2094 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 2095 B9R0.12 CCCN(CC)C(=O)CO 240690a_100000226822_100000210174 [1,1,0,0,0,0|2,0,0]=4 2096 B9R0.12 CCCN(CC)C(=O)CO 527a_100000226822_100000210174 [1,1,0,0,0,0|2,0,0]=4 2097 B9R0.12 CCCN(CC)C(=O)NC 2708a_100102657272_100000226822 [1,1,0,0,0,0|2,0,0]=4 2098 B9R0.12 CCCN(CC)C(=O)NC 273464a_100102657272_100000226822 [1,1,0,0,0,0|2,0,0]=4 2099 B9R0.12 CCNC(CC)C(=O)OC 2230a_100015525214_100000235869 [1,1,0,0,0,0|2,0,0]=4 2100 B9R0.12 CCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210202 [1,1,0,0,0,0|2,0,0]=4 2101 B9R0.12 CCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210202 [1,1,0,0,0,0|2,0,0]=4 2102 B9R0.12 CCOC(CC)C(=O)CC 34a_200011218131_100000210202 [1,1,0,0,0,0|2,0,0]=4 2103 B9R0.12 CCOC(CC)C(=O)CC 7a_200011218131_100000210202 [1,1,0,0,0,0|2,0,0]=4 2104 B9R0.12 CCOC(CC)C(=O)OC 34a_100000695916_100000210202 [1,1,0,0,0,0|2,0,0]=4 2105 B9R0.12 CCOC(CC)C(=O)OC 34a_100121572206_100000235869 [1,1,0,0,0,0|2,0,0]=4 2106 B9R0.12 CCOC(CC)C(=O)OC 7a_100000695916_100000210202 [1,1,0,0,0,0|2,0,0]=4 2107 B9R0.12 CCOC(CN)C(=O)OC 34a_100000695228_100000210202 [1,1,0,0,0,0|2,0,0]=4 2108 B9R0.12 CCOC(CO)C(=O)OC 34a_100121572206_100012276630 [1,1,0,0,0,0|1,0,0]=3 2109 B9R0.12 CCSC(CC)C(=O)OC 62a_100000210202_100000235869 [1,1,0,0,0,0|2,0,0]=4 2110 B9R0.12 CCSC(CC)C(=O)OC 62a_100000235869_100000210202 [1,1,0,0,0,0|2,0,0]=4 2111 B9R0.12 CCSC(CO)C(=O)OC 62a_100000210202_100012276630 [1,1,0,0,0,0|1,0,0]=3 2112 B9R0.12 CCSC(CO)C(=O)OC 62a_100012276630_100000210202 [1,1,0,0,0,0|1,0,0]=3 2113 B9R0.12 COC(=O)C(CO)SCF 62a_100012276630_100015361967 [1,1,0,0,0,0|2,0,0]=4 2114 B9R0.12 COC(=O)C(CO)SCF 62a_100015361967_100012276630 [1,1,0,0,0,0|2,0,0]=4 2115 B9R0.15 CC(=O)N(CCO)CCO 240690a_100000210587_100015343762 [1,1,0,0,0,0|2,0,0]=4 2116 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [1,1,0,0,0,0|1,0,0]=3 2117 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [1,1,0,0,0,0|1,0,0]=3 2118 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [1,1,0,0,0,0|1,0,0]=3 2119 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [1,1,0,0,0,0|2,0,0]=4 2120 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [1,1,0,0,0,0|2,0,0]=4 2121 B9R0.15 CCCC(OCF)C(=O)N 34a_100011626294_100015361967 [1,1,0,0,0,0|2,0,0]=4 2122 B9R0.15 CCCC(OCF)C(=O)N 7a_100011626294_100015361967 [1,1,0,0,0,0|2,0,0]=4 2123 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [1,1,0,0,0,0|2,0,0]=4 2124 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [1,1,0,0,0,0|2,0,0]=4 2125 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [1,1,0,0,0,0|2,0,0]=4 2126 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [1,1,0,0,0,0|2,0,0]=4 2127 B9R0.15 CCCN(CCO)C(=O)C 240690a_100000211420_100015343762 [1,1,0,0,0,0|1,0,0]=3 2128 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [1,1,0,0,0,0|2,0,0]=4 2129 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [1,1,0,0,0,0|2,0,0]=4 2130 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [1,1,0,0,0,0|2,0,0]=4 2131 B9R0.15 CCC[C@H](NCF)C(=O)N 34a_100000729256_100015361967 [1,1,0,0,0,0|2,0,0]=4 2132 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [1,1,0,0,0,0|2,0,0]=4 2133 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [1,1,0,0,0,0|2,0,0]=4 2134 B9R0.15 CCOC(OCC)C(=O)C 1458a_100000082760_200000210301 [1,1,0,0,0,0|2,0,0]=4 2135 B9R0.15 CCOC(OCC)C(=O)[13CH3] 1458a_100000082760_200025704644 [1,1,0,0,0,0|2,0,0]=4 2136 B9R0.29 CCC(C(=O)C)N(C)CC 1458a_100011345578_200000210301 [1,1,0,0,0,0|2,0,0]=4 2137 B9R0.29 CCC(C(=O)[13CH3])N(C)CC 1458a_100011345578_200025704644 [1,1,0,0,0,0|2,0,0]=4 2138 B9R0.29 CCC(C)N(CC)C(=O)C 11a_100000732650_100015343762 [1,1,0,0,0,0|2,0,0]=4 2139 B9R0.29 CCC(C)N(CC)C(=O)C 1626a_100000732650_100015343762 [1,1,0,0,0,0|2,0,0]=4 2140 B9R0.29 CCC(C)N(CC)C(=O)C 240690a_100000732650_100015343762 [1,1,0,0,0,0|2,0,0]=4 2141 B9R0.29 CCC(C)N(CC)C(=O)C 527a_100000732650_100103153847 [1,1,0,0,0,0|2,0,0]=4 2142 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [1,1,0,0,0,0|2,0,0]=4 2143 B9R0.29 COC(=O)C(CO)C(=O)C 1458a_100000070787_100012276630 [1,1,0,0,0,0|1,0,1]=4 2144 B9R0.33 CCCN(C(=O)C)C(C)C 11a_106256033942_100015343762 [1,1,0,0,0,0|2,0,0]=4 2145 B9R0.33 CCCN(C(=O)C)C(C)C 1626a_106256033942_100015343762 [1,1,0,0,0,0|2,0,0]=4 2146 B9R0.33 CCCN(C(=O)C)C(C)C 240690a_106256033942_100015343762 [1,1,0,0,0,0|2,0,0]=4 2147 B9R0.33 CCCN(C(=O)C)C(C)C 527a_106256033942_100103153847 [1,1,0,0,0,0|2,0,0]=4 2148 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [1,1,0,0,0,0|2,0,0]=4 2149 B9R0.33 CCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210202 [1,1,0,0,0,0|2,0,0]=4 2150 B9R0.33 CCSC(C(=O)C)C(C)C 1458a_100000750736_200000210301 [1,1,0,0,0,0|2,0,0]=4 2151 B9R0.33 CCSC(C(=O)[13CH3])C(C)C 1458a_100000750736_200025704644 [1,1,0,0,0,0|2,0,0]=4 2152 B9R0.39 CC(=O)NC(CO)C(=O)C 1458a_200011194110_200000210301 [1,1,0,0,0,0|1,0,1]=4 2153 B9R0.39 CC(=O)NC(CO)C(=O)[13CH3] 1458a_200011194110_200025704644 [1,1,0,0,0,0|1,0,1]=4 2154 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [1,1,0,0,0,0|2,0,0]=4 2155 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100000210206 [1,1,0,0,0,0|2,0,0]=4 2156 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 34a_100000729942_100000210206 [1,1,0,0,0,0|2,0,0]=4 2157 B9R0.39 CCN(CC(C)C)C(=O)C 11a_100000738554_100015343762 [1,1,0,0,0,0|2,0,0]=4 2158 B9R0.39 CCN(CC(C)C)C(=O)C 1626a_100000738554_100015343762 [1,1,0,0,0,0|2,0,0]=4 2159 B9R0.39 CCN(CC(C)C)C(=O)C 240690a_100000738554_100015343762 [1,1,0,0,0,0|2,0,0]=4 2160 B9R0.39 CCN(CC(C)C)C(=O)C 527a_100000738554_100103153847 [1,1,0,0,0,0|2,0,0]=4 2161 B9R0.39 CCN(C[C@H](C)O)C(=O)C 240690a_100000729506_100015343762 [1,1,0,0,0,0|2,0,0]=4 2162 B9R0.39 CCN(C[C@H](C)O)C(=O)C 527a_100000729506_100103153847 [1,1,0,0,0,0|2,0,0]=4 2163 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_100000070787_200000040151 [1,1,0,0,0,0|1,0,0]=3 2164 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_200000724995_200000210301 [1,1,0,0,0,0|1,0,0]=3 2165 B9R0.74 CCCC(C)(CC)C(=O)[13CH3] 1458a_200000724995_200025704644 [1,1,0,0,0,0|1,0,0]=3 2166 B11R0.47 C=C(C)CN(CCO)CCCC 2230a_100000198060_100000748629 [0,1,0,0,0,1|2,0,0]=4 2167 B11R0.47 C=C(C)CN(CCO)CCCC 269982a_100000198060_100000748629 [0,1,0,0,0,1|2,0,0]=4 2168 B11R0.47 CCCCN(CCO)CC(=O)N 2230a_100000198060_100000747473 [0,1,0,0,0,1|2,0,0]=4 2169 B11R0.47 CCCCN(CCO)CC(=O)N 269982a_100000198060_100000187820 [0,1,0,0,0,1|2,0,0]=4 2170 B11R0.47 CCCCN(CCO)CC(=O)O 269956a_100000747938_100000210211 [0,1,0,0,0,1|2,0,0]=4 2171 B11R0.47 CCCCN(CCO)CC(=O)[O-] 269982a_100000198060_100020667443 [0,1,0,0,0,1|2,0,0]=4 2172 B11R0.56 CC(=O)NC(CO)C(=O)CCF 1458a_200011194110_100011217306 [0,1,0,0,0,1|1,0,1]=4 2173 B11R0.56 CC(=O)NC(CO)C(=O)CCO 1458a_200011194110_100000211926 [0,1,0,0,0,1|1,0,1]=4 2174 B11R0.56 CCCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210303 [0,1,0,0,0,1|1,0,1]=4 2175 B11R0.56 CCCC(=O)C(CO)NC(=O)C 1458a_200011194110_100000210303 [0,1,0,0,0,1|0,0,1]=3 2176 B11R0.56 CCCC(C)N(CO)CC(=O)[O-] 269956a_100016989150_100000766640 [0,1,0,0,0,1|2,0,0]=4 2177 B11R0.56 CCNC(=O)C(CO)NC(=O)C 240690a_100015525214_200011194110 [0,1,0,0,0,1|1,0,1]=4 2178 B11R0.56 CCOC(=O)[C@@H](CO)NC(=O)C 188690a_100016988294_100015343762 [0,1,0,0,0,1|1,0,1]=4 2179 B11R0.77 CCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210326 [0,1,0,0,0,1|2,0,0]=4 2180 B11R0.77 CCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210211 [0,1,0,0,0,1|2,0,0]=4 2181 B11R0.77 CCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210211 [0,1,0,0,0,1|1,0,0]=3 2182 B11R0.77 CCCCN[C@H](CO)CC(C)C 2230a_100011830311_100000210211 [0,1,0,0,0,1|1,0,1]=4 2183 B11R0.77 CCCCN[C@H](CO)CC(C)C 34a_100011830311_100000210210 [0,1,0,0,0,1|1,0,1]=4 2184 B11R0.77 CCCNCC(CO)CC(C)C 34a_200000723437_100000210303 [0,1,0,0,0,1|1,0,1]=4 2185 B11R0.77 CCOCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210147 [0,1,0,0,0,1|2,0,0]=4 2186 B11R0.77 CCOCN[C@H](CO)CC(=O)O 269956a_100009816507_100000739092 [0,1,0,0,0,1|2,0,0]=4 2187 B11R0.77 CCSCCN(CO)CC(=O)[O-] 269956a_100016989150_100000757381 [0,1,0,0,0,1|2,0,0]=4 2188 B11R0.77 COCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000740836 [0,1,0,0,0,1|2,0,0]=4 2189 B11R0.77 COCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000233755 [0,1,0,0,0,1|2,0,0]=4 2190 B11R0.77 CSCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000212216 [0,1,0,0,0,1|2,0,0]=4 2191 B11R0.77 O=C(O)C[C@@H](CO)NCCCF 269956a_100009816507_100011934791 [0,1,0,0,0,1|2,0,0]=4 2192 B11R0.77 O=C(O)C[C@@H](CO)NCCCO 269956a_100009816507_100011215043 [0,1,0,0,0,1|2,0,0]=4 2193 B11R0.77 O=C([O-])CN(CO)CCCCF 269956a_100016989150_100000729493 [0,1,0,0,0,1|2,0,0]=4 2194 B11R0.77 O=C([O-])CN(CO)CCCCO 269956a_100016989150_100000210776 [0,1,0,0,0,1|2,0,0]=4 2195 B11R0.91 CCC(C)CN(CO)CC(=O)[O-] 269956a_100016989150_100000748023 [0,1,0,0,0,1|2,0,0]=4 2196 B11R0.91 CCC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000758301 [0,1,0,0,0,1|2,0,0]=4 2197 B11R0.91 CCC(O)CN(CO)CC(=O)[O-] 269956a_100016989150_100011218378 [0,1,0,0,0,1|2,0,0]=4 2198 B11R0.91 CC[C@H](C)CN(CO)CC(=O)[O-] 269956a_100016989150_100009816398 [0,1,0,0,0,1|2,0,0]=4 2199 B11R0.143 CC(C)CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210312 [0,1,0,0,0,1|2,0,0]=4 2200 B11R0.143 CC(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000210760 [0,1,0,0,0,1|2,0,0]=4 2201 B11R0.143 CC(O)CCN(CO)CC(=O)[O-] 269956a_100016989150_100012276601 [0,1,0,0,0,1|2,0,0]=4 2202 B11R0.143 CC(O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100011218427 [0,1,0,0,0,1|2,0,0]=4 2203 B11R0.143 C[C@@H](O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100009817552 [0,1,0,0,0,1|2,0,0]=4 2204 B11R0.160 CCCCC(NC(=O)C)C(=O)C 1458a_100000194794_200000210301 [0,1,0,0,0,1|0,0,2]=4 2205 B11R0.160 CCCCC(NC(=O)C)C(=O)[13CH3] 1458a_100000194794_200025704644 [0,1,0,0,0,1|0,0,2]=4 2206 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 11a_100000124899_100015343762 [0,1,0,0,0,1|0,0,2]=4 2207 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 1626a_100000124899_100015343762 [0,1,0,0,0,1|0,0,2]=4 2208 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 240690a_100000124899_100015343762 [0,1,0,0,0,1|0,0,2]=4 2209 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 527a_100000124899_100103153847 [0,1,0,0,0,1|0,0,2]=4 2210 B11R0.162 C=C(C)C(=O)C(CC)CCCC 1458a_100000185857_200011216223 [0,1,0,0,0,1|2,0,0]=4 2211 B11R0.162 CCCCN(CC)C(C)C(=O)C 2230a_100000207695_100009814033 [0,1,0,0,0,1|2,0,0]=4 2212 B11R0.162 CCCCN(CC)C(C)C(=O)C 269982a_100000207695_100009814033 [0,1,0,0,0,1|2,0,0]=4 2213 B11R0.166 C#CC(=O)CC(CC)CCCC 1458a_100000211873_100000211942 [0,1,0,0,0,1|1,0,1]=4 2214 B11R0.166 C#CC(C)N[C@H](CO)CCCC 34a_100011934283_200000035995 [0,1,0,0,0,1|1,0,1]=4 2215 B11R0.166 C=CC(=O)CC(CC)CCCC 1458a_100000185746_100000211942 [0,1,0,0,0,1|1,0,1]=4 2216 B11R0.166 C=CC(=O)N[C@H](CO)CCCC 240690a_100011934283_200121576911 [0,1,0,0,0,1|0,0,1]=3 2217 B11R0.166 C=CC(=O)N[C@H](CO)CCSC 240690a_100011827619_200121576911 [0,1,0,0,0,1|1,0,1]=4 2218 B11R0.166 CCC(=O)N[C@H](CO)CCSC 240690a_100011827619_100000210414 [0,1,0,0,0,1|1,0,0]=3 2219 B11R0.166 CCC(=O)N[C@H](CO)CCSC 527a_100011827619_100000210414 [0,1,0,0,0,1|1,0,0]=3 2220 B11R0.166 CCCCC(CC)CC(=O)CC 1458a_100000210414_100000211942 [0,1,0,0,0,1|1,0,0]=3 2221 B11R0.166 CCCCC(CC)CC(=O)CO 1458a_100000210174_100000211942 [0,1,0,0,0,1|1,0,0]=3 2222 B11R0.166 CCCCN(CC)CC(=O)CC 269982a_100000207695_100000747405 [0,1,0,0,0,1|2,0,0]=4 2223 B11R0.166 CCCCN(CC)CC(=O)NC 2230a_100000207695_100000183359 [0,1,0,0,0,1|2,0,0]=4 2224 B11R0.166 CCCCN(CC)CC(=O)NC 269982a_100000207695_100000183359 [0,1,0,0,0,1|2,0,0]=4 2225 B11R0.166 CCCCN(CC)CC(=O)OC 2230a_100000207695_100000747449 [0,1,0,0,0,1|2,0,0]=4 2226 B11R0.166 CCCCN(CC)CC(=O)OC 269982a_100000207695_100000747449 [0,1,0,0,0,1|2,0,0]=4 2227 B11R0.166 CCCC[C@@H](CO)NC(=O)CC 240690a_100011934283_100000210414 [0,1,0,0,0,1|0,0,0]=2 2228 B11R0.166 CCCC[C@@H](CO)NC(=O)CC 527a_100011934283_100000210414 [0,1,0,0,0,1|0,0,0]=2 2229 B11R0.166 CCCC[C@@H](CO)NC(=O)CO 240690a_100011934283_100000210174 [0,1,0,0,0,1|0,0,0]=2 2230 B11R0.166 CCCC[C@@H](CO)NC(=O)CO 527a_100011934283_100000210174 [0,1,0,0,0,1|0,0,0]=2 2231 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 2708a_100102657272_100011934283 [0,1,0,0,0,1|0,0,0]=2 2232 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 273464a_100011934283_100102657272 [0,1,0,0,0,1|0,0,0]=2 2233 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 273464a_100102657272_100011934283 [0,1,0,0,0,1|0,0,0]=2 2234 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 512a_100011934283_100102657272 [0,1,0,0,0,1|0,0,0]=2 2235 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 512a_106832991638_100011934283 [0,1,0,0,0,1|0,0,0]=2 2236 B11R0.166 CCCC[C@@H](CO)NC(C)C#N 2230a_100011934283_100000184139 [0,1,0,0,0,1|1,0,1]=4 2237 B11R0.166 CCCC[C@@H](CO)NC(C)CC 2230a_100011934283_100000758301 [0,1,0,0,0,1|1,0,1]=4 2238 B11R0.166 CCCC[C@@H](CO)NC(C)CC 34a_100011934283_100011215416 [0,1,0,0,0,1|1,0,1]=4 2239 B11R0.166 CCCC[C@@H](CO)NC(C)CO 2230a_100011934283_100012180447 [0,1,0,0,0,1|0,0,2]=4 2240 B11R0.166 CCCC[C@@H](CO)NC(C)CO 34a_100011934283_100012180447 [0,1,0,0,0,1|0,0,2]=4 2241 B11R0.166 CCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210303 [0,1,0,0,0,1|2,0,0]=4 2242 B11R0.166 CCCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210303 [0,1,0,0,0,1|2,0,0]=4 2243 B11R0.166 CNC(=O)N[C@H](CO)CCSC 2708a_100102657272_100011827619 [0,1,0,0,0,1|1,0,0]=3 2244 B11R0.166 CNC(=O)N[C@H](CO)CCSC 273464a_100011827619_100102657272 [0,1,0,0,0,1|1,0,0]=3 2245 B11R0.166 CNC(=O)N[C@H](CO)CCSC 273464a_100102657272_100011827619 [0,1,0,0,0,1|1,0,0]=3 2246 B11R0.166 CNC(=O)N[C@H](CO)CCSC 512a_100011827619_100102657272 [0,1,0,0,0,1|1,0,0]=3 2247 B11R0.166 CNC(=O)N[C@H](CO)CCSC 512a_106832991638_100011827619 [0,1,0,0,0,1|1,0,0]=3 2248 B11R0.166 CSCC[C@@H](CO)NC(=O)CO 240690a_100011827619_100000210174 [0,1,0,0,0,1|1,0,0]=3 2249 B11R0.166 CSCC[C@@H](CO)NC(=O)CO 527a_100011827619_100000210174 [0,1,0,0,0,1|1,0,0]=3 2250 B11R0.190 CCCC[C@@H](CO)NC(C)(C)C 34a_100011934283_100000210625 [0,1,0,0,0,1|1,0,1]=4 2251 B11R0.190 CCCC[C@@H](CO)NS(=O)(=O)C 40a_100011934283_100000738038 [0,1,0,0,0,1|1,0,0]=3 2252 B11R0.190 CSCC[C@@H](CO)NS(=O)(=O)C 40a_100011827619_100000738038 [0,1,0,0,0,1|2,0,0]=4 2253 B11R0.28 CC(C)CNC(C(=O)O)C(C)O 269956a_100000185852_100000210760 [0,2,0,0,0,0|2,0,0]=4 2254 B11R0.28 CC(C)CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210760 [0,2,0,0,0,0|2,0,0]=4 2255 B11R0.28 CC(C)CN[C@H](C(=O)N)[C@@H](C)O 270004a_100000003557_100000210432 [0,2,0,0,0,0|2,0,0]=4 2256 B11R0.28 CC(O)C(NC[C@@H](C)O)C(=O)O 269956a_100000185852_100009817552 [0,2,0,0,0,0|2,0,0]=4 2257 B11R0.28 CC(O)CNC(C(=O)O)C(C)O 269956a_100000185852_100011218427 [0,2,0,0,0,0|2,0,0]=4 2258 B11R0.28 CC(O)CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100011218427 [0,2,0,0,0,0|2,0,0]=4 2259 B11R0.28 C[C@@H](O)CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100009817552 [0,2,0,0,0,0|2,0,0]=4 2260 B11R0.108 CCC(C)NC(C(=O)O)C(C)O 269956a_100000185852_100000758301 [0,2,0,0,0,0|2,0,0]=4 2261 B11R0.108 CCC(C)N[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000758301 [0,2,0,0,0,0|2,0,0]=4 2262 B11R0.153 CC(=O)N(CCCCO)C(C)C 240690a_100011521146_100015343762 [0,2,0,0,0,0|2,0,0]=4 2263 B11R0.153 CC(O)C(NCCCF)C(=O)O 269956a_100000185852_100011934791 [0,2,0,0,0,0|2,0,0]=4 2264 B11R0.153 CC(O)C(NCCCO)C(=O)O 269956a_100000185852_100011215043 [0,2,0,0,0,0|2,0,0]=4 2265 B11R0.153 CCCCCN(C(=O)C)C(C)C 11a_100000223497_100015343762 [0,2,0,0,0,0|2,0,0]=4 2266 B11R0.153 CCCCCN(C(=O)C)C(C)C 1626a_100000223497_100015343762 [0,2,0,0,0,0|2,0,0]=4 2267 B11R0.153 CCCCCN(C(=O)C)C(C)C 240690a_100000223497_100015343762 [0,2,0,0,0,0|2,0,0]=4 2268 B11R0.153 CCCCCN(C(=O)C)C(C)C 527a_100000223497_100103153847 [0,2,0,0,0,0|2,0,0]=4 2269 B11R0.153 CCCCNC(C(=O)N)C(C)C 7a_106832991798_100000230017 [0,2,0,0,0,0|2,0,0]=4 2270 B11R0.153 CCCCNC(C(=O)O)C(C)O 269956a_100000185852_100000210211 [0,2,0,0,0,0|1,0,0]=3 2271 B11R0.153 CCCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210211 [0,2,0,0,0,0|2,0,0]=4 2272 B11R0.153 CCCCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210211 [0,2,0,0,0,0|1,0,0]=3 2273 B11R0.153 CCCCOC(C(=O)N)C(C)C 34a_100000210227_100000230017 [0,2,0,0,0,0|2,0,0]=4 2274 B11R0.153 CCCCOC(C(=O)N)C(C)C 7a_100000210227_100000230017 [0,2,0,0,0,0|2,0,0]=4 2275 B11R0.153 CCCCSC(C(=O)C)C(=O)C 62a_100000210211_100000210371 [0,2,0,0,0,0|0,0,2]=4 2276 B11R0.153 CCCCSC(C(=O)C)C(=O)C 62a_100000210371_100000210210 [0,2,0,0,0,0|0,0,2]=4 2277 B11R0.153 CCCCSC(C(=O)N)C(C)C 62a_100000210211_100000230017 [0,2,0,0,0,0|2,0,0]=4 2278 B11R0.153 CCCCSC(C(=O)N)C(C)C 62a_100000230017_100000210210 [0,2,0,0,0,0|2,0,0]=4 2279 B11R0.153 CCOCNC(C(=O)O)C(C)O 269956a_100000185852_100000739092 [0,2,0,0,0,0|2,0,0]=4 2280 B11R0.153 COCCNC(C(=O)O)C(C)O 269956a_100000185852_100000233755 [0,2,0,0,0,0|2,0,0]=4 2281 B11R0.153 COCCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100011201679 [0,2,0,0,0,0|2,0,0]=4 2282 B11R0.153 CSCCNC(C(=O)O)C(C)O 269956a_100000185852_100000212216 [0,2,0,0,0,0|2,0,0]=4 2283 B11R0.153 CSCCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000751147 [0,2,0,0,0,0|2,0,0]=4 2284 B11R0.153 C[C@@H](O)[C@H](NCCCF)C(=O)N 2230a_100000003557_100011934791 [0,2,0,0,0,0|2,0,0]=4 2285 B11R0.153 C[C@@H](O)[C@H](NCCCO)C(=O)N 2230a_100000003557_100000230001 [0,2,0,0,0,0|2,0,0]=4 2286 B11R0.167 CCCCC(C(=O)C)C(=O)OC 1458a_100000070787_100000750740 [0,2,0,0,0,0|0,0,1]=3 2287 B11R0.167 CCCCC(C(=O)N)C(=O)CC 1458a_100000210414_100000748834 [0,2,0,0,0,0|0,0,2]=4 2288 B11R0.167 CCCCC(C(=O)N)C(=O)CO 1458a_100000210174_100000748834 [0,2,0,0,0,0|1,0,0]=3 2289 B11R0.167 CCCCC(C(=O)N)N(C)CC 2230a_100000225621_100000748834 [0,2,0,0,0,0|2,0,0]=4 2290 B11R0.167 CCCCC(C(=O)N)N(C)CC 269982a_100000225621_100000748834 [0,2,0,0,0,0|2,0,0]=4 2291 B11R0.167 CCCCC(C(=O)OC)N(C)C 2230a_100102631434_100000750740 [0,2,0,0,0,0|2,0,0]=4 2292 B11R0.167 CCCCC(C(=O)OC)N(C)C 269982a_100102631434_100000750740 [0,2,0,0,0,0|2,0,0]=4 2293 B11R0.167 CCCCN(C(=O)C)C(C)CC 11a_100000207357_100015343762 [0,2,0,0,0,0|2,0,0]=4 2294 B11R0.167 CCCCN(C(=O)C)C(C)CC 1626a_100000207357_100015343762 [0,2,0,0,0,0|2,0,0]=4 2295 B11R0.167 CCCCN(C(=O)C)C(C)CC 240690a_100000207357_100015343762 [0,2,0,0,0,0|2,0,0]=4 2296 B11R0.167 CCCCN(C(=O)C)C(C)CC 527a_100000207357_100103153847 [0,2,0,0,0,0|2,0,0]=4 2297 B11R0.167 CCCCN(C(=O)CC)C(C)C 11a_100000207398_100000210414 [0,2,0,0,0,0|2,0,0]=4 2298 B11R0.167 CCCCN(C(=O)CC)C(C)C 1626a_100000207398_100000210414 [0,2,0,0,0,0|2,0,0]=4 2299 B11R0.167 CCCCN(C(=O)CC)C(C)C 240690a_100000207398_100000210414 [0,2,0,0,0,0|2,0,0]=4 2300 B11R0.167 CCCCN(C(=O)CC)C(C)C 527a_100000207398_100000210414 [0,2,0,0,0,0|2,0,0]=4 2301 B11R0.167 CCCCN(C(=O)CO)C(C)C 240690a_100000207398_100000210174 [0,2,0,0,0,0|2,0,0]=4 2302 B11R0.167 CCCCN(C(=O)CO)C(C)C 527a_100000207398_100000210174 [0,2,0,0,0,0|2,0,0]=4 2303 B11R0.167 CCCCN(C(=O)NC)C(C)C 2708a_100102657272_100000207398 [0,2,0,0,0,0|2,0,0]=4 2304 B11R0.167 CCCCN(C(=O)NC)C(C)C 273464a_100102657272_100000207398 [0,2,0,0,0,0|2,0,0]=4 2305 B11R0.167 CCCNC(C(=O)NC)C(C)C 2230a_100000690981_100000210303 [0,2,0,0,0,0|2,0,0]=4 2306 B11R0.167 CCCNC(C(=O)NC)C(C)C 34a_100000690981_100000210303 [0,2,0,0,0,0|2,0,0]=4 2307 B11R0.167 CCCN[C@H](C(=O)NC)[C@@H](C)O 2230a_100102634413_100000210303 [0,2,0,0,0,0|1,0,0]=3 2308 B11R0.167 CCCN[C@H](C(=O)NC)[C@@H](C)O 34a_100102634413_100000210303 [0,2,0,0,0,0|1,0,0]=3 2309 B11R0.167 CCCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210207 [0,2,0,0,0,0|2,0,0]=4 2310 B11R0.167 CCCOC(C(=O)OC)C(C)C 34a_100000210258_100000736125 [0,2,0,0,0,0|2,0,0]=4 2311 B11R0.167 CCCO[C@@H](C(=O)OC)C(C)C 34a_100009883636_100000210303 [0,2,0,0,0,0|2,0,0]=4 2312 B11R0.167 CCCO[C@@H](C(=O)OC)C(C)C 7a_100009883636_100000210303 [0,2,0,0,0,0|2,0,0]=4 2313 B11R0.167 CCCSC(C(=O)C)C(=O)OC 62a_100000210303_100011215331 [0,2,0,0,0,0|1,0,1]=4 2314 B11R0.167 CCCSC(C(=O)C)C(=O)OC 62a_100011215331_100000210303 [0,2,0,0,0,0|1,0,1]=4 2315 B11R0.167 CCCSC(C(=O)OC)C(C)C 62a_100000210303_100000736125 [0,2,0,0,0,0|2,0,0]=4 2316 B11R0.167 CCCSC(C(=O)OC)C(C)C 62a_100000736125_100000210303 [0,2,0,0,0,0|2,0,0]=4 2317 B11R0.167 CNC(=O)[C@@H](NCCF)[C@@H](C)O 2230a_100102634413_100011217306 [0,2,0,0,0,0|2,0,0]=4 2318 B11R0.167 CNC(=O)[C@@H](NCCF)[C@@H](C)O 34a_100102634413_100011217306 [0,2,0,0,0,0|2,0,0]=4 2319 B11R0.167 CNC(=O)[C@@H](NCCO)[C@@H](C)O 2230a_100102634413_100000211926 [0,2,0,0,0,0|2,0,0]=4 2320 B11R0.167 CNC(=O)[C@@H](NCCO)[C@@H](C)O 34a_100102634413_100000211926 [0,2,0,0,0,0|2,0,0]=4 2321 B11R0.167 CNC(=O)[C@@H](NCOC)[C@@H](C)O 2230a_100102634413_100000766300 [0,2,0,0,0,0|2,0,0]=4 2322 B11R0.167 CNC(=O)[C@@H](NCSC)[C@@H](C)O 2230a_100102634413_100011218213 [0,2,0,0,0,0|2,0,0]=4 2323 B11R0.167 CNC(=O)[C@@H](NCSC)[C@@H](C)O 34a_100102634413_100011218213 [0,2,0,0,0,0|2,0,0]=4 2324 B11R0.205 CCCN[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_100000210207 [0,2,0,0,0,0|2,0,0]=4 2325 B11R0.55 CC(CCO)NC(CO)C(=O)O 269956a_100000187304_100009893172 [0,2,0,0,0,0|2,0,0]=4 2326 B11R0.55 CC(CCO)N[C@@H](CO)C(=O)N 2230a_100000729942_100009893172 [0,2,0,0,0,0|2,0,0]=4 2327 B11R0.55 CC(CCO)N[C@@H](CO)C(=O)N 34a_100000729942_100009893172 [0,2,0,0,0,0|2,0,0]=4 2328 B11R0.55 CCCC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100000211992 [0,2,0,0,0,0|1,0,1]=4 2329 B11R0.55 CCCC(C)NC(CC)C(=O)N 2230a_100000733705_100000766640 [0,2,0,0,0,0|2,0,0]=4 2330 B11R0.55 CCCC(C)NC(CC)C(=O)N 2230a_100000741246_100000750255 [0,2,0,0,0,0|2,0,0]=4 2331 B11R0.55 CCCC(C)NC(CC)C(=O)N 34a_100000733705_100000766640 [0,2,0,0,0,0|2,0,0]=4 2332 B11R0.55 CCCC(C)NC(CO)C(=O)O 269956a_100000187304_100000766640 [0,2,0,0,0,0|1,0,0]=3 2333 B11R0.55 CCCC(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100000766640 [0,2,0,0,0,0|1,0,0]=3 2334 B11R0.55 CCCC(C)N[C@@H](CO)C(=O)N 270004a_100000729942_100000211909 [0,2,0,0,0,0|1,0,0]=3 2335 B11R0.55 CCCC(C)N[C@@H](CO)C(=O)N 34a_100000729942_100000766640 [0,2,0,0,0,0|1,0,0]=3 2336 B11R0.55 CCCC(C)N[C@@H](CO)C(C)C 2230a_100011830312_100000766640 [0,2,0,0,0,0|1,0,1]=4 2337 B11R0.55 CCCC(C)N[C@@H](CO)C(C)C 270004a_100011830312_100000211909 [0,2,0,0,0,0|1,0,1]=4 2338 B11R0.55 CCCC(C)N[C@@H](CO)C(C)C 34a_100011830312_100000766640 [0,2,0,0,0,0|1,0,1]=4 2339 B11R0.55 CCCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000766640 [0,2,0,0,0,0|2,0,0]=4 2340 B11R0.55 CCCC(C)N[C@H](CO)[C@@H](C)O 2230a_100015196842_100000766640 [0,2,0,0,0,0|0,0,2]=4 2341 B11R0.55 CCCC(C)N[C@H](CO)[C@@H](C)O 34a_100015196842_100000766640 [0,2,0,0,0,0|0,0,2]=4 2342 B11R0.55 CCCC(C)OC(CC)C(=O)N 34a_100000764384_100000750255 [0,2,0,0,0,0|2,0,0]=4 2343 B11R0.55 CCCC(C)OC(CC)C(=O)N 7a_100000764384_100000750255 [0,2,0,0,0,0|2,0,0]=4 2344 B11R0.55 CCCC(C)SC(CC)C(=O)N 62a_100000750255_100000766640 [0,2,0,0,0,0|2,0,0]=4 2345 B11R0.55 CCCC(C)SC(CC)C(=O)N 62a_100000766640_100000750255 [0,2,0,0,0,0|2,0,0]=4 2346 B11R0.55 COCC(C)NC(CO)C(=O)O 269956a_100000187304_100000765312 [0,2,0,0,0,0|2,0,0]=4 2347 B11R0.55 COCC(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100000765312 [0,2,0,0,0,0|2,0,0]=4 2348 B11R0.55 COCC(C)N[C@@H](CO)C(=O)N 270004a_100000729942_100000749346 [0,2,0,0,0,0|2,0,0]=4 2349 B11R0.55 COCC(C)N[C@@H](CO)C(=O)N 34a_100000729942_100000765312 [0,2,0,0,0,0|2,0,0]=4 2350 B11R0.55 CSCC(C)N[C@@H](CO)C(=O)N 270004a_100000729942_100011216314 [0,2,0,0,0,0|2,0,0]=4 2351 B11R0.88 CCC(=O)C(CC)OC(C)CC 34a_200011218131_100011215416 [0,2,0,0,0,0|2,0,0]=4 2352 B11R0.88 CCC(=O)C(CC)OC(C)CC 7a_200011218131_100000758301 [0,2,0,0,0,0|2,0,0]=4 2353 B11R0.88 CCC(=O)N(CC)CC(O)CC 11a_100011365200_100000210414 [0,2,0,0,0,0|2,0,0]=4 2354 B11R0.88 CCC(=O)N(CC)CC(O)CC 1626a_100011365200_100000210414 [0,2,0,0,0,0|2,0,0]=4 2355 B11R0.88 CCC(=O)N(CC)CC(O)CC 240690a_100011365200_100000210414 [0,2,0,0,0,0|2,0,0]=4 2356 B11R0.88 CCC(=O)N(CC)CC(O)CC 527a_100011365200_100000210414 [0,2,0,0,0,0|2,0,0]=4 2357 B11R0.88 CCC(=O)N[C@H](CO)C(=O)OC 188690a_100000003586_100000210414 [0,2,0,0,0,0|1,0,1]=4 2358 B11R0.88 CCC(C)NC(CC)C(=O)OC 2230a_100000209981_100000235869 [0,2,0,0,0,0|2,0,0]=4 2359 B11R0.88 CCC(C)N[C@@H](CC)C(=O)NC 2230a_106657271573_100000758301 [0,2,0,0,0,0|2,0,0]=4 2360 B11R0.88 CCC(C)N[C@@H](CC)C(=O)NC 34a_106657271573_100011215416 [0,2,0,0,0,0|2,0,0]=4 2361 B11R0.88 CCC(C)OC(CC)C(=O)OC 34a_100000695916_100011215416 [0,2,0,0,0,0|2,0,0]=4 2362 B11R0.88 CCC(C)OC(CC)C(=O)OC 7a_100000210228_100000742303 [0,2,0,0,0,0|2,0,0]=4 2363 B11R0.88 CCC(C)OC(CC)C(=O)OC 7a_100000695916_100000758301 [0,2,0,0,0,0|2,0,0]=4 2364 B11R0.88 CCC(C)OC(CN)C(=O)OC 34a_100000695228_100011215416 [0,2,0,0,0,0|2,0,0]=4 2365 B11R0.88 CCC(C)SC(CC)C(=O)OC 62a_100000235869_100000758301 [0,2,0,0,0,0|2,0,0]=4 2366 B11R0.88 CCC(C)SC(CC)C(=O)OC 62a_100000758301_100000235869 [0,2,0,0,0,0|2,0,0]=4 2367 B11R0.88 CCC(C)SC(CO)C(=O)OC 62a_100000758301_100012276630 [0,2,0,0,0,0|1,0,0]=3 2368 B11R0.88 CCC(C)SC(CO)C(=O)OC 62a_100012276630_100000758301 [0,2,0,0,0,0|1,0,0]=3 2369 B11R0.88 CCC(O)CN(CC)C(=O)CO 240690a_100011365200_100000210174 [0,2,0,0,0,0|2,0,0]=4 2370 B11R0.88 CCC(O)CN(CC)C(=O)CO 527a_100011365200_100000210174 [0,2,0,0,0,0|2,0,0]=4 2371 B11R0.88 CCC(O)CN(CC)C(=O)NC 2708a_100102657272_100011365200 [0,2,0,0,0,0|2,0,0]=4 2372 B11R0.88 CCC(O)CN(CC)C(=O)NC 273464a_100102657272_100011365200 [0,2,0,0,0,0|2,0,0]=4 2373 B11R0.88 COC(=O)C(CO)OC(C)CF 34a_100016041109_100012276630 [0,2,0,0,0,0|2,0,0]=4 2374 B11R0.88 COC(=O)C(CO)OC(C)CN 34a_100000210904_100012276630 [0,2,0,0,0,0|2,0,0]=4 2375 B11R0.88 COC(=O)C(CO)SC(C)CO 62a_100012180447_100012276630 [0,2,0,0,0,0|2,0,0]=4 2376 B11R0.88 COC(=O)C(CO)SC(C)OC 62a_100009879195_100012276630 [0,2,0,0,0,0|2,0,0]=4 2377 B11R0.88 COC(=O)C(CO)SC(C)OC 62a_100012276630_100009879195 [0,2,0,0,0,0|2,0,0]=4 2378 B11R0.88 COC(=O)C(CO)S[C@H](C)CO 62a_100012276630_100016084084 [0,2,0,0,0,0|2,0,0]=4 2379 B11R0.88 COC(=O)C(CO)S[C@H](C)CO 62a_100016084084_100012276630 [0,2,0,0,0,0|2,0,0]=4 2380 B11R0.236 CCC(C)N[C@H](COC)C(=O)O 269956a_100011998655_100000758301 [0,2,0,0,0,0|2,0,0]=4 2381 B11R0.278 CCC(C)N(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000758301 [0,2,0,0,0,0|2,0,0]=4 2382 B11R0.292 CCC(CC)NC(CO)C(=O)O 269956a_100000187304_100000210505 [0,2,0,0,0,0|2,0,0]=4 2383 B11R0.292 CCC(CC)N[C@@H](CO)C(=O)N 270004a_100000729942_100000210860 [0,2,0,0,0,0|2,0,0]=4 2384 B11R0.332 CCC(C)(C)NC(CO)C(=O)O 269956a_100000187304_100000032637 [0,2,0,0,0,0|2,0,0]=4 2385 B11R0.90 CCC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000747405 [0,2,0,0,0,0|1,0,1]=4 2386 B11R0.90 CCC(C)CNC(CC)C(=O)N 2230a_100000733705_100000748023 [0,2,0,0,0,0|2,0,0]=4 2387 B11R0.90 CCC(C)CNC(CC)C(=O)N 2230a_100020588543_100000750255 [0,2,0,0,0,0|2,0,0]=4 2388 B11R0.90 CCC(C)CNC(CC)C(=O)N 34a_100000733705_100000748023 [0,2,0,0,0,0|2,0,0]=4 2389 B11R0.90 CCC(C)CNC(CO)C(=O)O 269956a_100000187304_100000748023 [0,2,0,0,0,0|1,0,0]=3 2390 B11R0.90 CCC(C)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000748023 [0,2,0,0,0,0|1,0,0]=3 2391 B11R0.90 CCC(C)CN[C@@H](CO)C(=O)N 270004a_100000729942_100000243153 [0,2,0,0,0,0|1,0,0]=3 2392 B11R0.90 CCC(C)CN[C@@H](CO)C(=O)N 34a_100000729942_100000748023 [0,2,0,0,0,0|1,0,0]=3 2393 B11R0.90 CCC(C)CN[C@@H](CO)C(C)C 2230a_100011830312_100000748023 [0,2,0,0,0,0|1,0,1]=4 2394 B11R0.90 CCC(C)CN[C@@H](CO)C(C)C 270004a_100011830312_100000243153 [0,2,0,0,0,0|1,0,1]=4 2395 B11R0.90 CCC(C)CN[C@@H](CO)C(C)C 34a_100011830312_100000748023 [0,2,0,0,0,0|1,0,1]=4 2396 B11R0.90 CCC(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748023 [0,2,0,0,0,0|2,0,0]=4 2397 B11R0.90 CCC(C)CN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000748023 [0,2,0,0,0,0|0,0,2]=4 2398 B11R0.90 CCC(C)CN[C@H](CO)[C@@H](C)O 34a_100015196842_100000748023 [0,2,0,0,0,0|0,0,2]=4 2399 B11R0.90 CCC(C)CSC(CC)C(=O)N 62a_100000748023_100000750255 [0,2,0,0,0,0|2,0,0]=4 2400 B11R0.90 CCC(C)CSC(CC)C(=O)N 62a_100000750255_100000748023 [0,2,0,0,0,0|2,0,0]=4 2401 B11R0.90 CCC(C)NCC(CO)C(C)C 34a_100000692819_100011215416 [0,2,0,0,0,0|1,0,1]=4 2402 B11R0.90 CCC(NC[C@@H](C)CC)C(=O)N 2230a_100000733705_100009816398 [0,2,0,0,0,0|2,0,0]=4 2403 B11R0.90 CCC(NC[C@@H](C)CC)C(=O)N 34a_100000733705_100009816398 [0,2,0,0,0,0|2,0,0]=4 2404 B11R0.90 CCC(O)CNC(CC)C(=O)N 2230a_100000733705_100011218378 [0,2,0,0,0,0|2,0,0]=4 2405 B11R0.90 CCC(O)CNC(CC)C(=O)N 2230a_100011218483_100000750255 [0,2,0,0,0,0|2,0,0]=4 2406 B11R0.90 CCC(O)CNC(CC)C(=O)N 34a_100000733705_100011218378 [0,2,0,0,0,0|2,0,0]=4 2407 B11R0.90 CCC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218378 [0,2,0,0,0,0|1,0,0]=3 2408 B11R0.90 CCC(O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100011218378 [0,2,0,0,0,0|1,0,0]=3 2409 B11R0.90 CCC(O)CN[C@@H](CO)C(=O)N 34a_100000729942_100011218378 [0,2,0,0,0,0|1,0,0]=3 2410 B11R0.90 CCC(O)CN[C@@H](CO)C(C)C 2230a_100011830312_100011218378 [0,2,0,0,0,0|1,0,1]=4 2411 B11R0.90 CCC(O)CN[C@@H](CO)C(C)C 34a_100011830312_100011218378 [0,2,0,0,0,0|1,0,1]=4 2412 B11R0.90 CCC(O)CN[C@H](CC)C(=O)O 269956a_100000747097_100011218378 [0,2,0,0,0,0|2,0,0]=4 2413 B11R0.90 CCC(O)CN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011218378 [0,2,0,0,0,0|0,0,2]=4 2414 B11R0.90 CCC(O)CN[C@H](CO)[C@@H](C)O 34a_100015196842_100011218378 [0,2,0,0,0,0|0,0,2]=4 2415 B11R0.90 CCC(O)CSC(CC)C(=O)N 62a_100000750255_100011218378 [0,2,0,0,0,0|2,0,0]=4 2416 B11R0.90 CCC(O)CSC(CC)C(=O)N 62a_100011218378_100000750255 [0,2,0,0,0,0|2,0,0]=4 2417 B11R0.90 CCC(OC[C@@H](C)CC)C(=O)N 7a_100009816381_100000750255 [0,2,0,0,0,0|2,0,0]=4 2418 B11R0.90 CCC(SC[C@@H](C)CC)C(=O)N 62a_100000750255_100009816398 [0,2,0,0,0,0|2,0,0]=4 2419 B11R0.90 CCC(SC[C@@H](C)CC)C(=O)N 62a_100009816398_100000750255 [0,2,0,0,0,0|2,0,0]=4 2420 B11R0.90 CC[C@H](C)CNC(CO)C(=O)O 269956a_100000187304_100009816398 [0,2,0,0,0,0|1,0,0]=3 2421 B11R0.90 CC[C@H](C)CN[C@@H](CO)C(=O)N 2230a_100000729942_100009816398 [0,2,0,0,0,0|1,0,0]=3 2422 B11R0.90 CC[C@H](C)CN[C@@H](CO)C(=O)N 34a_100000729942_100009816398 [0,2,0,0,0,0|1,0,0]=3 2423 B11R0.90 CC[C@H](C)CN[C@@H](CO)C(C)C 2230a_100011830312_100009816398 [0,2,0,0,0,0|1,0,1]=4 2424 B11R0.90 CC[C@H](C)CN[C@@H](CO)C(C)C 34a_100011830312_100009816398 [0,2,0,0,0,0|1,0,1]=4 2425 B11R0.90 CC[C@H](C)CN[C@H](CC)C(=O)O 269956a_100000747097_100009816398 [0,2,0,0,0,0|2,0,0]=4 2426 B11R0.90 CC[C@H](C)CN[C@H](CO)[C@@H](C)O 2230a_100015196842_100009816398 [0,2,0,0,0,0|0,0,2]=4 2427 B11R0.90 CC[C@H](C)CN[C@H](CO)[C@@H](C)O 34a_100015196842_100009816398 [0,2,0,0,0,0|0,0,2]=4 2428 B11R0.90 C[C@@H](CO)CNC(CO)C(=O)O 269956a_100000187304_100000059175 [0,2,0,0,0,0|2,0,0]=4 2429 B11R0.90 C[C@@H](CO)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000059175 [0,2,0,0,0,0|2,0,0]=4 2430 B11R0.90 C[C@@H](CO)CN[C@@H](CO)C(=O)N 34a_100000729942_100000059175 [0,2,0,0,0,0|2,0,0]=4 2431 B11R0.90 NC(=O)[C@H](CO)NCC(O)CO 2230a_100000729942_100011219619 [0,2,0,0,0,0|2,0,0]=4 2432 B11R0.90 NC(=O)[C@H](CO)NCC(O)CO 34a_100000729942_100011219619 [0,2,0,0,0,0|2,0,0]=4 2433 B11R0.90 NC(=O)[C@H](CO)NC[C@@H](O)CF 2230a_100000729942_100015614560 [0,2,0,0,0,0|2,0,0]=4 2434 B11R0.90 NC(=O)[C@H](CO)NC[C@@H](O)CF 34a_100000729942_100015614560 [0,2,0,0,0,0|2,0,0]=4 2435 B11R0.90 NC(=O)[C@H](CO)NC[C@@H](O)CO 2230a_100000729942_100009815848 [0,2,0,0,0,0|2,0,0]=4 2436 B11R0.90 NC(=O)[C@H](CO)NC[C@@H](O)CO 34a_100000729942_100009815848 [0,2,0,0,0,0|2,0,0]=4 2437 B11R0.90 O=C(O)C(CO)NCC(O)CO 269956a_100000187304_100011219619 [0,2,0,0,0,0|2,0,0]=4 2438 B11R0.90 O=C(O)C(CO)NC[C@@H](O)CF 269956a_100000187304_100015614560 [0,2,0,0,0,0|2,0,0]=4 2439 B11R0.90 O=C(O)C(CO)NC[C@@H](O)CO 269956a_100000187304_100009815848 [0,2,0,0,0,0|2,0,0]=4 2440 B11R0.118 C=C(C)COC(CO)C(=O)OC 34a_100000210245_100012276630 [0,2,0,0,0,0|1,0,1]=4 2441 B11R0.118 C=C(C)CSC(CO)C(=O)OC 62a_100000748629_100012276630 [0,2,0,0,0,0|1,0,1]=4 2442 B11R0.118 C=C(C)CSC(CO)C(=O)OC 62a_100012276630_100000211660 [0,2,0,0,0,0|1,0,1]=4 2443 B11R0.118 CCC(=O)C(CC)OCC(C)C 34a_200011218131_100000210624 [0,2,0,0,0,0|2,0,0]=4 2444 B11R0.118 CCC(=O)C(CC)OCC(C)C 7a_200011218131_100000210760 [0,2,0,0,0,0|2,0,0]=4 2445 B11R0.118 CCC(=O)C(CC)OCC(C)O 34a_200011218131_100011218427 [0,2,0,0,0,0|2,0,0]=4 2446 B11R0.118 CCC(=O)C(CC)OCC(C)O 7a_200011218131_100011218427 [0,2,0,0,0,0|2,0,0]=4 2447 B11R0.118 CCC(=O)C(CC)OC[C@@H](C)O 34a_200011218131_100009817552 [0,2,0,0,0,0|2,0,0]=4 2448 B11R0.118 CCC(=O)C(CC)OC[C@@H](C)O 7a_200011218131_100009817552 [0,2,0,0,0,0|2,0,0]=4 2449 B11R0.118 CCC(=O)N(CC)CCC(C)C 11a_100000207693_100000210414 [0,2,0,0,0,0|2,0,0]=4 2450 B11R0.118 CCC(=O)N(CC)CCC(C)C 1626a_100000207693_100000210414 [0,2,0,0,0,0|2,0,0]=4 2451 B11R0.118 CCC(=O)N(CC)CCC(C)C 240690a_100000207693_100000210414 [0,2,0,0,0,0|2,0,0]=4 2452 B11R0.118 CCC(=O)N(CC)CCC(C)C 527a_100000207693_100000210414 [0,2,0,0,0,0|2,0,0]=4 2453 B11R0.118 CCC(NCC(C)C)C(=O)OC 2230a_100000210953_100000235869 [0,2,0,0,0,0|2,0,0]=4 2454 B11R0.118 CCC(NCC(C)C)C(=O)OC 34a_100000210953_100000235869 [0,2,0,0,0,0|2,0,0]=4 2455 B11R0.118 CCC(NCC(C)O)C(=O)OC 2230a_100000210904_100000235869 [0,2,0,0,0,0|2,0,0]=4 2456 B11R0.118 CCC(NCC(C)O)C(=O)OC 34a_100000210904_100000235869 [0,2,0,0,0,0|2,0,0]=4 2457 B11R0.118 CCC(OCC(C)Br)C(=O)OC 34a_100012180447_100000235869 [0,2,0,0,0,0|2,0,0]=4 2458 B11R0.118 CCC(OCC(C)C)C(=O)OC 34a_100000210257_100000235869 [0,2,0,0,0,0|2,0,0]=4 2459 B11R0.118 CCC(OCC(C)C)C(=O)OC 34a_100000695916_100000210624 [0,2,0,0,0,0|2,0,0]=4 2460 B11R0.118 CCC(OCC(C)C)C(=O)OC 7a_100000695916_100000210760 [0,2,0,0,0,0|2,0,0]=4 2461 B11R0.118 CCC(OCC(C)F)C(=O)OC 34a_100015925927_100000235869 [0,2,0,0,0,0|2,0,0]=4 2462 B11R0.118 CCC(OCC(C)O)C(=O)OC 34a_100000695916_100011218427 [0,2,0,0,0,0|2,0,0]=4 2463 B11R0.118 CCC(OCC(C)O)C(=O)OC 7a_100000695916_100011218427 [0,2,0,0,0,0|2,0,0]=4 2464 B11R0.118 CCC(OC[C@@H](C)Cl)C(=O)OC 34a_100016084084_100000235869 [0,2,0,0,0,0|2,0,0]=4 2465 B11R0.118 CCC(OC[C@@H](C)N)C(=O)OC 34a_100000737577_100000235869 [0,2,0,0,0,0|2,0,0]=4 2466 B11R0.118 CCC(OC[C@@H](C)O)C(=O)OC 34a_100000695916_100009817552 [0,2,0,0,0,0|2,0,0]=4 2467 B11R0.118 CCC(OC[C@@H](C)O)C(=O)OC 7a_100000695916_100009817552 [0,2,0,0,0,0|2,0,0]=4 2468 B11R0.118 CCC(SCC(C)C)C(=O)OC 62a_100000210624_100000235869 [0,2,0,0,0,0|2,0,0]=4 2469 B11R0.118 CCC(SCC(C)C)C(=O)OC 62a_100000235869_100000210760 [0,2,0,0,0,0|2,0,0]=4 2470 B11R0.118 CCC(SCC(C)O)C(=O)OC 62a_100000235869_100011218427 [0,2,0,0,0,0|2,0,0]=4 2471 B11R0.118 CCC(SCC(C)O)C(=O)OC 62a_100011218427_100000235869 [0,2,0,0,0,0|2,0,0]=4 2472 B11R0.118 CCC(SC[C@@H](C)O)C(=O)OC 62a_100000235869_100009817552 [0,2,0,0,0,0|2,0,0]=4 2473 B11R0.118 CCC(SC[C@@H](C)O)C(=O)OC 62a_100009817552_100000235869 [0,2,0,0,0,0|2,0,0]=4 2474 B11R0.118 CCN(CCC(C)C)C(=O)CO 240690a_100000207693_100000210174 [0,2,0,0,0,0|2,0,0]=4 2475 B11R0.118 CCN(CCC(C)C)C(=O)CO 527a_100000207693_100000210174 [0,2,0,0,0,0|2,0,0]=4 2476 B11R0.118 CCN(CCC(C)C)C(=O)NC 2708a_100102657272_100000207693 [0,2,0,0,0,0|2,0,0]=4 2477 B11R0.118 CCN(CCC(C)C)C(=O)NC 273464a_100102657272_100000207693 [0,2,0,0,0,0|2,0,0]=4 2478 B11R0.118 CC[C@H](NCC(C)C)C(=O)NC 2230a_106657271573_100000210760 [0,2,0,0,0,0|2,0,0]=4 2479 B11R0.118 CC[C@H](NCC(C)C)C(=O)NC 270004a_106657271573_100000210432 [0,2,0,0,0,0|2,0,0]=4 2480 B11R0.118 CC[C@H](NCC(C)C)C(=O)NC 34a_106657271573_100000210624 [0,2,0,0,0,0|2,0,0]=4 2481 B11R0.118 CC[C@H](NCC(C)O)C(=O)NC 2230a_106657271573_100011218427 [0,2,0,0,0,0|2,0,0]=4 2482 B11R0.118 CC[C@H](NCC(C)O)C(=O)NC 34a_106657271573_100011218427 [0,2,0,0,0,0|2,0,0]=4 2483 B11R0.118 CC[C@H](NC[C@@H](C)O)C(=O)NC 2230a_106657271573_100009817552 [0,2,0,0,0,0|2,0,0]=4 2484 B11R0.118 CC[C@H](NC[C@@H](C)O)C(=O)NC 34a_106657271573_100009817552 [0,2,0,0,0,0|2,0,0]=4 2485 B11R0.118 COC(=O)C(CN)OCC(C)C 34a_100000695228_100000210624 [0,2,0,0,0,0|2,0,0]=4 2486 B11R0.118 COC(=O)C(CN)OCC(C)O 34a_100000695228_100011218427 [0,2,0,0,0,0|2,0,0]=4 2487 B11R0.118 COC(=O)C(CN)OC[C@@H](C)O 34a_100000695228_100009817552 [0,2,0,0,0,0|2,0,0]=4 2488 B11R0.118 COC(=O)C(CO)NCC(C)C 34a_100000210953_100012276630 [0,2,0,0,0,0|1,0,0]=3 2489 B11R0.118 COC(=O)C(CO)NCC(C)O 34a_100000210904_100012276630 [0,2,0,0,0,0|1,0,0]=3 2490 B11R0.118 COC(=O)C(CO)NCC(F)F 34a_100000765723_100012276630 [0,2,0,0,0,0|2,0,0]=4 2491 B11R0.118 COC(=O)C(CO)OCC(=O)C 34a_100000211253_100012276630 [0,2,0,0,0,0|1,0,1]=4 2492 B11R0.118 COC(=O)C(CO)OCC(C)Br 34a_100012180447_100012276630 [0,2,0,0,0,0|1,0,0]=3 2493 B11R0.118 COC(=O)C(CO)OCC(C)C 34a_100000210257_100012276630 [0,2,0,0,0,0|1,0,0]=3 2494 B11R0.118 COC(=O)C(CO)OCC(C)F 34a_100015925927_100012276630 [0,2,0,0,0,0|1,0,0]=3 2495 B11R0.118 COC(=O)C(CO)OCC(F)F 34a_100000743014_100012276630 [0,2,0,0,0,0|2,0,0]=4 2496 B11R0.118 COC(=O)C(CO)OC[C@@H](C)Cl 34a_100016084084_100012276630 [0,2,0,0,0,0|1,0,0]=3 2497 B11R0.118 COC(=O)C(CO)OC[C@@H](C)N 34a_100000737577_100012276630 [0,2,0,0,0,0|1,0,0]=3 2498 B11R0.118 COC(=O)C(CO)SCC(C)C 62a_100000210624_100012276630 [0,2,0,0,0,0|1,0,0]=3 2499 B11R0.118 COC(=O)C(CO)SCC(C)C 62a_100012276630_100000210760 [0,2,0,0,0,0|1,0,0]=3 2500 B11R0.118 COC(=O)C(CO)SCC(C)O 62a_100011218427_100012276630 [0,2,0,0,0,0|1,0,0]=3 2501 B11R0.118 COC(=O)C(CO)SCC(C)O 62a_100012276630_100011218427 [0,2,0,0,0,0|1,0,0]=3 2502 B11R0.118 COC(=O)C(CO)SCC(F)F 62a_100011934356_100012276630 [0,2,0,0,0,0|2,0,0]=4 2503 B11R0.118 COC(=O)C(CO)SCC(F)F 62a_100012276630_100011934356 [0,2,0,0,0,0|2,0,0]=4 2504 B11R0.118 COC(=O)C(CO)SC[C@@H](C)O 62a_100009817552_100012276630 [0,2,0,0,0,0|1,0,0]=3 2505 B11R0.118 COC(=O)C(CO)SC[C@@H](C)O 62a_100012276630_100009817552 [0,2,0,0,0,0|1,0,0]=3 2506 B11R0.146 COC[C@@H](NCC(C)C)C(=O)O 269956a_100011998655_100000210760 [0,2,0,0,0,0|2,0,0]=4 2507 B11R0.146 COC[C@@H](NCC(C)O)C(=O)O 269956a_100011998655_100011218427 [0,2,0,0,0,0|2,0,0]=4 2508 B11R0.146 COC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100011998655_100009817552 [0,2,0,0,0,0|2,0,0]=4 2509 B11R0.282 CC(C)CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210760 [0,2,0,0,0,0|2,0,0]=4 2510 B11R0.282 CC(O)CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100011218427 [0,2,0,0,0,0|2,0,0]=4 2511 B11R0.282 C[C@@H](O)CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100009817552 [0,2,0,0,0,0|2,0,0]=4 2512 B11R0.313 CC(C)(C)CNC(CO)C(=O)O 269956a_100000187304_100011219605 [0,2,0,0,0,0|2,0,0]=4 2513 B11R0.313 CC(C)(C)CN[C@@H](CO)C(=O)N 270004a_100000729942_100011204126 [0,2,0,0,0,0|2,0,0]=4 2514 B11R0.313 CC(C)(C)CN[C@@H](CO)C(=O)N 34a_100000729942_100011219605 [0,2,0,0,0,0|2,0,0]=4 2515 B11R0.313 CC(C)(F)CNC(CO)C(=O)O 269956a_100000187304_100011997219 [0,2,0,0,0,0|2,0,0]=4 2516 B11R0.313 CC(C)(F)CN[C@@H](CO)C(=O)N 34a_100000729942_100011997219 [0,2,0,0,0,0|2,0,0]=4 2517 B11R0.313 CC(C)(O)CNC(CO)C(=O)O 269956a_100000187304_100000764493 [0,2,0,0,0,0|2,0,0]=4 2518 B11R0.313 CC(C)(O)CN[C@@H](CO)C(=O)N 34a_100000729942_100000764493 [0,2,0,0,0,0|2,0,0]=4 2519 B11R0.38 C#CC(=O)C(CCC)CCCC 1458a_100000211873_100000211913 [0,2,0,0,0,0|1,0,1]=4 2520 B11R0.38 C=CC(=O)C(CCC)CCCC 1458a_100000185746_100000211913 [0,2,0,0,0,0|1,0,1]=4 2521 B11R0.38 C=CC(=O)N(CCO)CCCC 240690a_100000198060_200121576911 [0,2,0,0,0,0|1,0,1]=4 2522 B11R0.38 CCC(=O)N(CCO)CCCO 240690a_200000212863_100000210414 [0,2,0,0,0,0|2,0,0]=4 2523 B11R0.38 CCCCC(CCC)C(=O)CC 1458a_100000210414_100000211913 [0,2,0,0,0,0|1,0,0]=3 2524 B11R0.38 CCCCC(CCC)C(=O)CO 1458a_100000210174_100000211913 [0,2,0,0,0,0|1,0,0]=3 2525 B11R0.38 CCCCC(NCC)C(=O)OC 2230a_100015525214_100000750740 [0,2,0,0,0,0|1,0,0]=3 2526 B11R0.38 CCCCC(OCC)C(=O)OC 34a_100121572206_100000750740 [0,2,0,0,0,0|1,0,0]=3 2527 B11R0.38 CCCCC(SCC)C(=O)OC 62a_100000210202_100000750740 [0,2,0,0,0,0|1,0,0]=3 2528 B11R0.38 CCCCC(SCC)C(=O)OC 62a_100000750740_100000210202 [0,2,0,0,0,0|1,0,0]=3 2529 B11R0.38 CCCCC(SCF)C(=O)OC 62a_100000750740_100015361967 [0,2,0,0,0,0|1,0,0]=3 2530 B11R0.38 CCCCC(SCF)C(=O)OC 62a_100015361967_100000750740 [0,2,0,0,0,0|1,0,0]=3 2531 B11R0.38 CCCCN(CC#N)C(=O)CC 11a_200011192266_100000210414 [0,2,0,0,0,0|2,0,0]=4 2532 B11R0.38 CCCCN(CC#N)C(=O)CC 1626a_200011192266_100000210414 [0,2,0,0,0,0|2,0,0]=4 2533 B11R0.38 CCCCN(CC#N)C(=O)CC 240690a_200011192266_100000210414 [0,2,0,0,0,0|2,0,0]=4 2534 B11R0.38 CCCCN(CC#N)C(=O)CO 240690a_200011192266_100000210174 [0,2,0,0,0,0|2,0,0]=4 2535 B11R0.38 CCCCN(CC#N)C(=O)NC 273464a_100102657272_200011192266 [0,2,0,0,0,0|2,0,0]=4 2536 B11R0.38 CCCCN(CCC)C(=O)CC 11a_200000207744_100000210414 [0,2,0,0,0,0|2,0,0]=4 2537 B11R0.38 CCCCN(CCC)C(=O)CC 1626a_200000207744_100000210414 [0,2,0,0,0,0|2,0,0]=4 2538 B11R0.38 CCCCN(CCC)C(=O)CC 240690a_200000207744_100000210414 [0,2,0,0,0,0|2,0,0]=4 2539 B11R0.38 CCCCN(CCC)C(=O)CC 527a_200000207744_100000210414 [0,2,0,0,0,0|2,0,0]=4 2540 B11R0.38 CCCCN(CCC)C(=O)CO 240690a_200000207744_100000210174 [0,2,0,0,0,0|2,0,0]=4 2541 B11R0.38 CCCCN(CCC)C(=O)CO 527a_200000207744_100000210174 [0,2,0,0,0,0|2,0,0]=4 2542 B11R0.38 CCCCN(CCC)C(=O)NC 2708a_100102657272_200000207744 [0,2,0,0,0,0|2,0,0]=4 2543 B11R0.38 CCCCN(CCC)C(=O)NC 273464a_100102657272_200000207744 [0,2,0,0,0,0|2,0,0]=4 2544 B11R0.38 CCCCN(CCO)C(=O)CC 240690a_100000198060_100000210414 [0,2,0,0,0,0|1,0,0]=3 2545 B11R0.38 CCCCN(CCO)C(=O)CO 240690a_100000198060_100000210174 [0,2,0,0,0,0|1,0,0]=3 2546 B11R0.38 CCCCN(CCO)C(=O)NC 2708a_100102657272_100000198060 [0,2,0,0,0,0|1,0,0]=3 2547 B11R0.38 CCCCN(CCO)C(=O)NC 273464a_100102657272_100000198060 [0,2,0,0,0,0|1,0,0]=3 2548 B11R0.38 CCCNC(CCC)C(=O)NC 2230a_106256046333_100000210303 [0,2,0,0,0,0|2,0,0]=4 2549 B11R0.38 CCCNC(CCC)C(=O)NC 34a_106256046333_100000210303 [0,2,0,0,0,0|2,0,0]=4 2550 B11R0.38 CCCOC(CCC)C(=O)OC 34a_100000210258_200009843822 [0,2,0,0,0,0|2,0,0]=4 2551 B11R0.38 CCCOC(COC)C(=O)OC 34a_100000210258_100000717350 [0,2,0,0,0,0|1,0,0]=3 2552 B11R0.38 CCCSC(CCC)C(=O)OC 62a_100000210303_200009843822 [0,2,0,0,0,0|2,0,0]=4 2553 B11R0.38 CCCSC(CCC)C(=O)OC 62a_200009843822_100000210303 [0,2,0,0,0,0|2,0,0]=4 2554 B11R0.38 CCCSC(COC)C(=O)OC 62a_100000210303_100000717350 [0,2,0,0,0,0|1,0,0]=3 2555 B11R0.38 CCCSC(COC)C(=O)OC 62a_100000717350_100000210303 [0,2,0,0,0,0|1,0,0]=3 2556 B11R0.38 CNC(=O)N(CCO)CCCO 2708a_100102657272_200000212863 [0,2,0,0,0,0|2,0,0]=4 2557 B11R0.38 CNC(=O)N(CCO)CCCO 273464a_100102657272_200000212863 [0,2,0,0,0,0|2,0,0]=4 2558 B11R0.38 COCC(NCCF)C(=O)OC 34a_100000724931_100000717350 [0,2,0,0,0,0|2,0,0]=4 2559 B11R0.38 COCC(NCCO)C(=O)OC 34a_100016990907_100000717350 [0,2,0,0,0,0|2,0,0]=4 2560 B11R0.38 COCC(OCCBr)C(=O)OC 34a_100000211926_100000717350 [0,2,0,0,0,0|2,0,0]=4 2561 B11R0.38 COCC(OCCN)C(=O)OC 34a_100000210304_100000717350 [0,2,0,0,0,0|2,0,0]=4 2562 B11R0.38 COCC(SCCF)C(=O)OC 62a_100000717350_100011217306 [0,2,0,0,0,0|2,0,0]=4 2563 B11R0.38 COCC(SCCF)C(=O)OC 62a_100011217306_100000717350 [0,2,0,0,0,0|2,0,0]=4 2564 B11R0.38 COCC(SCCO)C(=O)OC 62a_100000211926_100000717350 [0,2,0,0,0,0|2,0,0]=4 2565 B11R0.38 COCC(SCCO)C(=O)OC 62a_100000717350_100000211926 [0,2,0,0,0,0|2,0,0]=4 2566 B11R0.38 COCC(SCSC)C(=O)OC 62a_100000717350_100011218213 [0,2,0,0,0,0|2,0,0]=4 2567 B11R0.38 COCC(SCSC)C(=O)OC 62a_100011218213_100000717350 [0,2,0,0,0,0|2,0,0]=4 2568 B11R0.38 COCSC(COC)C(=O)OC 62a_100000717350_100000766300 [0,2,0,0,0,0|2,0,0]=4 2569 B11R0.38 COCSC(COC)C(=O)OC 62a_100000766300_100000717350 [0,2,0,0,0,0|2,0,0]=4 2570 B11R0.38 O=C(CO)N(CCO)CCCO 240690a_200000212863_100000210174 [0,2,0,0,0,0|2,0,0]=4 2571 B11R0.53 CCCC(=O)C(CC)C(=O)OC 1458a_100000211992_100000235869 [0,2,0,0,0,0|1,0,1]=4 2572 B11R0.53 CCCC(=O)C(CO)C(=O)OC 1458a_100000211992_100012276630 [0,2,0,0,0,0|0,0,1]=3 2573 B11R0.53 CCCN(C)C(CC)C(=O)OC 2230a_100000709176_100000210303 [0,2,0,0,0,0|2,0,0]=4 2574 B11R0.53 CCCN(C)C(CC)C(=O)OC 2230a_100000747261_100000235869 [0,2,0,0,0,0|2,0,0]=4 2575 B11R0.53 CCCN(C)C(CC)C(=O)OC 269982a_100000709176_100000210303 [0,2,0,0,0,0|2,0,0]=4 2576 B11R0.53 CCCN(C)C(CC)C(=O)OC 269982a_100000747261_100000235869 [0,2,0,0,0,0|2,0,0]=4 2577 B11R0.53 COC(=O)C(CO)C(=O)CCO 1458a_100011216618_100012276630 [0,2,0,0,0,0|1,0,1]=4 2578 B11R0.53 COC(=O)C(CO)C(=O)CSC 1458a_100000184570_100012276630 [0,2,0,0,0,0|1,0,1]=4 2579 B11R0.53 COCC(=O)C(CO)C(=O)OC 1458a_100000210968_100012276630 [0,2,0,0,0,0|1,0,1]=4 2580 B11R0.75 C#CCCNC(CO)C(=O)OC 34a_100000755551_100012276630 [0,2,0,0,0,0|0,0,2]=4 2581 B11R0.75 C#CCCOC(CO)C(=O)OC 34a_100011215631_100012276630 [0,2,0,0,0,0|0,0,2]=4 2582 B11R0.75 C#CCCSC(CO)C(=O)OC 62a_100000688953_100012276630 [0,2,0,0,0,0|0,0,2]=4 2583 B11R0.75 C#CCCSC(CO)C(=O)OC 62a_100012276630_100000688953 [0,2,0,0,0,0|0,0,2]=4 2584 B11R0.75 C/C=C/COC(CO)C(=O)OC 34a_100016270725_100012276630 [0,2,0,0,0,0|0,0,2]=4 2585 B11R0.75 C/C=C/CSC(CO)C(=O)OC 62a_100012276630_100102629194 [0,2,0,0,0,0|0,0,2]=4 2586 B11R0.75 C/C=C/CSC(CO)C(=O)OC 62a_100102629194_100012276630 [0,2,0,0,0,0|0,0,2]=4 2587 B11R0.75 C=CCCOC(CO)C(=O)OC 34a_100011205117_100012276630 [0,2,0,0,0,0|0,0,2]=4 2588 B11R0.75 C=CCCSC(CO)C(=O)OC 62a_100000754431_100012276630 [0,2,0,0,0,0|0,0,2]=4 2589 B11R0.75 C=CCCSC(CO)C(=O)OC 62a_100012276630_100000754431 [0,2,0,0,0,0|0,0,2]=4 2590 B11R0.75 CC#CCNC(CO)C(=O)OC 34a_100000685387_100012276630 [0,2,0,0,0,0|0,0,2]=4 2591 B11R0.75 CC#CCOC(CO)C(=O)OC 34a_100000761923_100012276630 [0,2,0,0,0,0|0,0,2]=4 2592 B11R0.75 CC#CCSC(CO)C(=O)OC 62a_100000748600_100012276630 [0,2,0,0,0,0|0,0,2]=4 2593 B11R0.75 CC#CCSC(CO)C(=O)OC 62a_100012276630_100000748600 [0,2,0,0,0,0|0,0,2]=4 2594 B11R0.75 CC=CCSC(CO)C(=O)OC 62a_100000070051_100012276630 [0,2,0,0,0,0|0,0,2]=4 2595 B11R0.75 CC=CCSC(CO)C(=O)OC 62a_100012276630_100000070051 [0,2,0,0,0,0|0,0,2]=4 2596 B11R0.75 CCC(=O)C(CC)OCCCF 34a_200011218131_100011934791 [0,2,0,0,0,0|2,0,0]=4 2597 B11R0.75 CCC(=O)C(CC)OCCCF 7a_200011218131_100011934791 [0,2,0,0,0,0|2,0,0]=4 2598 B11R0.75 CCC(=O)C(CC)OCCCO 34a_200011218131_100000230001 [0,2,0,0,0,0|2,0,0]=4 2599 B11R0.75 CCC(=O)C(CC)OCCCO 7a_200011218131_100011215043 [0,2,0,0,0,0|2,0,0]=4 2600 B11R0.75 CCC(=O)C(CC)OCCOC 34a_200011218131_100011201679 [0,2,0,0,0,0|2,0,0]=4 2601 B11R0.75 CCC(=O)C(CC)OCCOC 7a_200011218131_100000233755 [0,2,0,0,0,0|2,0,0]=4 2602 B11R0.75 CCC(=O)C(CC)OCCSC 34a_200011218131_100000212216 [0,2,0,0,0,0|2,0,0]=4 2603 B11R0.75 CCC(=O)C(CC)OCCSC 7a_200011218131_100000212216 [0,2,0,0,0,0|2,0,0]=4 2604 B11R0.75 CCC(=O)N(CC)CCCCO 240690a_100011217355_100000210414 [0,2,0,0,0,0|2,0,0]=4 2605 B11R0.75 CCC(NCCCF)C(=O)OC 2230a_100015189416_100000235869 [0,2,0,0,0,0|2,0,0]=4 2606 B11R0.75 CCC(NCCCF)C(=O)OC 34a_100015189416_100000235869 [0,2,0,0,0,0|2,0,0]=4 2607 B11R0.75 CCC(NCCOC)C(=O)OC 2230a_100000209980_100000235869 [0,2,0,0,0,0|2,0,0]=4 2608 B11R0.75 CCC(NCCSC)C(=O)OC 2230a_100020590264_100000235869 [0,2,0,0,0,0|2,0,0]=4 2609 B11R0.75 CCC(OCCCBr)C(=O)OC 34a_100011217188_100000235869 [0,2,0,0,0,0|2,0,0]=4 2610 B11R0.75 CCC(OCCCCl)C(=O)OC 34a_100000230001_100000235869 [0,2,0,0,0,0|2,0,0]=4 2611 B11R0.75 CCC(OCCCF)C(=O)OC 34a_100000695916_100011934791 [0,2,0,0,0,0|2,0,0]=4 2612 B11R0.75 CCC(OCCCF)C(=O)OC 34a_100000759539_100000235869 [0,2,0,0,0,0|2,0,0]=4 2613 B11R0.75 CCC(OCCCF)C(=O)OC 7a_100000695916_100011934791 [0,2,0,0,0,0|2,0,0]=4 2614 B11R0.75 CCC(OCCCN)C(=O)OC 34a_100000182051_100000235869 [0,2,0,0,0,0|2,0,0]=4 2615 B11R0.75 CCC(OCCCO)C(=O)OC 34a_100000695916_100000230001 [0,2,0,0,0,0|2,0,0]=4 2616 B11R0.75 CCC(OCCCO)C(=O)OC 7a_100000695916_100011215043 [0,2,0,0,0,0|2,0,0]=4 2617 B11R0.75 CCC(OCCOC)C(=O)OC 34a_100000210237_100000235869 [0,2,0,0,0,0|2,0,0]=4 2618 B11R0.75 CCC(OCCOC)C(=O)OC 34a_100000695916_100011201679 [0,2,0,0,0,0|2,0,0]=4 2619 B11R0.75 CCC(OCCOC)C(=O)OC 7a_100000695916_100000233755 [0,2,0,0,0,0|2,0,0]=4 2620 B11R0.75 CCC(OCCSC)C(=O)OC 34a_100000230434_100000235869 [0,2,0,0,0,0|2,0,0]=4 2621 B11R0.75 CCC(OCCSC)C(=O)OC 34a_100000695916_100000212216 [0,2,0,0,0,0|2,0,0]=4 2622 B11R0.75 CCC(OCCSC)C(=O)OC 7a_100000230434_100000742303 [0,2,0,0,0,0|2,0,0]=4 2623 B11R0.75 CCC(OCCSC)C(=O)OC 7a_100000695916_100000212216 [0,2,0,0,0,0|2,0,0]=4 2624 B11R0.75 CCC(SCCCF)C(=O)OC 62a_100000235869_100011934791 [0,2,0,0,0,0|2,0,0]=4 2625 B11R0.75 CCC(SCCCF)C(=O)OC 62a_100011934791_100000235869 [0,2,0,0,0,0|2,0,0]=4 2626 B11R0.75 CCC(SCCCO)C(=O)OC 62a_100000235869_100011215043 [0,2,0,0,0,0|2,0,0]=4 2627 B11R0.75 CCC(SCCCO)C(=O)OC 62a_100011215043_100000235869 [0,2,0,0,0,0|2,0,0]=4 2628 B11R0.75 CCC(SCCOC)C(=O)OC 62a_100000233755_100000235869 [0,2,0,0,0,0|2,0,0]=4 2629 B11R0.75 CCC(SCCOC)C(=O)OC 62a_100000235869_100000233755 [0,2,0,0,0,0|2,0,0]=4 2630 B11R0.75 CCC(SCCSC)C(=O)OC 62a_100000212216_100000235869 [0,2,0,0,0,0|2,0,0]=4 2631 B11R0.75 CCC(SCCSC)C(=O)OC 62a_100000235869_100000751147 [0,2,0,0,0,0|2,0,0]=4 2632 B11R0.75 CCCCCC(CC)C(=O)CC 1458a_100000697129_100000210202 [0,2,0,0,0,0|1,0,0]=3 2633 B11R0.75 CCCCCC(CC)C(=O)CF 1458a_100000697129_100015361967 [0,2,0,0,0,0|1,0,0]=3 2634 B11R0.75 CCCCCC(CC)C(=O)NC 11a_106832991635_100000697129 [0,2,0,0,0,0|1,0,0]=3 2635 B11R0.75 CCCCCC(CC)C(=O)NC 1626a_100102657272_100000697129 [0,2,0,0,0,0|1,0,0]=3 2636 B11R0.75 CCCCCC(CC)C(=O)NC 240690a_100102657272_100000697129 [0,2,0,0,0,0|1,0,0]=3 2637 B11R0.75 CCCCCC(CC)C(=O)NC 527a_100102657272_100000697129 [0,2,0,0,0,0|1,0,0]=3 2638 B11R0.75 CCCCCC(NC)C(=O)NC 2230a_200121577139_200000210301 [0,2,0,0,0,0|2,0,0]=4 2639 B11R0.75 CCCCCC(NC)C(=O)NC 34a_200121577139_200000210301 [0,2,0,0,0,0|2,0,0]=4 2640 B11R0.75 CCCCCC(N[13CH3])C(=O)NC 2230a_200121577139_200025704644 [0,2,0,0,0,0|2,0,0]=4 2641 B11R0.75 CCCCCC(N[13CH3])C(=O)NC 34a_200121577139_200025704644 [0,2,0,0,0,0|2,0,0]=4 2642 B11R0.75 CCCCNC(CC)C(=O)OC 2230a_100000102301_100000235869 [0,2,0,0,0,0|1,0,0]=3 2643 B11R0.75 CCCCNC(CC)C(=O)OC 7a_106832991798_100000742303 [0,2,0,0,0,0|1,0,0]=3 2644 B11R0.75 CCCCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210211 [0,2,0,0,0,0|1,0,0]=3 2645 B11R0.75 CCCCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210210 [0,2,0,0,0,0|1,0,0]=3 2646 B11R0.75 CCCCN[C@H](CO)[C@@H](C)CC 2230a_100011827617_100000210211 [0,2,0,0,0,0|1,0,1]=4 2647 B11R0.75 CCCCOC(C=O)C(=O)OC 34a_100000210227_100000046368 [0,2,0,0,0,0|0,0,2]=4 2648 B11R0.75 CCCCOC(CC)C(=O)CC 34a_200011218131_100000210210 [0,2,0,0,0,0|1,0,0]=3 2649 B11R0.75 CCCCOC(CC)C(=O)CC 7a_200011218131_100000210211 [0,2,0,0,0,0|1,0,0]=3 2650 B11R0.75 CCCCOC(CC)C(=O)OC 34a_100000210227_100000235869 [0,2,0,0,0,0|1,0,0]=3 2651 B11R0.75 CCCCOC(CC)C(=O)OC 34a_100000695916_100000210210 [0,2,0,0,0,0|1,0,0]=3 2652 B11R0.75 CCCCOC(CC)C(=O)OC 7a_100000210227_100000742303 [0,2,0,0,0,0|1,0,0]=3 2653 B11R0.75 CCCCOC(CC)C(=O)OC 7a_100000695916_100000210211 [0,2,0,0,0,0|1,0,0]=3 2654 B11R0.75 CCCCOC(CN)C(=O)OC 34a_100000695228_100000210210 [0,2,0,0,0,0|1,0,0]=3 2655 B11R0.75 CCCCOC(CO)C(=O)OC 34a_100000210227_100012276630 [0,2,0,0,0,0|0,0,0]=2 2656 B11R0.75 CCCCOC(OC)C(=O)OC 34a_100000036821_100000210210 [0,2,0,0,0,0|2,0,0]=4 2657 B11R0.75 CCCCOC(OC)C(=O)OC 34a_100000210227_100000101307 [0,2,0,0,0,0|2,0,0]=4 2658 B11R0.75 CCCCSC(C=O)C(=O)OC 62a_100000046368_100000210210 [0,2,0,0,0,0|0,0,2]=4 2659 B11R0.75 CCCCSC(C=O)C(=O)OC 62a_100000210211_100000046368 [0,2,0,0,0,0|0,0,2]=4 2660 B11R0.75 CCCCSC(CC)C(=O)OC 62a_100000210211_100000235869 [0,2,0,0,0,0|1,0,0]=3 2661 B11R0.75 CCCCSC(CC)C(=O)OC 62a_100000235869_100000210210 [0,2,0,0,0,0|1,0,0]=3 2662 B11R0.75 CCCCSC(CO)C(=O)OC 62a_100000210211_100012276630 [0,2,0,0,0,0|0,0,0]=2 2663 B11R0.75 CCCCSC(CO)C(=O)OC 62a_100012276630_100000210210 [0,2,0,0,0,0|0,0,0]=2 2664 B11R0.75 CCCCSC(OC)C(=O)OC 62a_100000101307_100000210210 [0,2,0,0,0,0|2,0,0]=4 2665 B11R0.75 CCCCSC(OC)C(=O)OC 62a_100000210211_100000101307 [0,2,0,0,0,0|2,0,0]=4 2666 B11R0.75 CCN(CCCCO)C(=O)CO 240690a_100011217355_100000210174 [0,2,0,0,0,0|2,0,0]=4 2667 B11R0.75 CCN(CCCCO)C(=O)NC 2708a_100102657272_100011217355 [0,2,0,0,0,0|2,0,0]=4 2668 B11R0.75 CCN(CCCCO)C(=O)NC 273464a_100102657272_100011217355 [0,2,0,0,0,0|2,0,0]=4 2669 B11R0.75 CCOCSC(CC)C(=O)OC 62a_100000235869_100000739092 [0,2,0,0,0,0|2,0,0]=4 2670 B11R0.75 CCOCSC(CC)C(=O)OC 62a_100000739092_100000235869 [0,2,0,0,0,0|2,0,0]=4 2671 B11R0.75 CCOCSC(CO)C(=O)OC 62a_100000739092_100012276630 [0,2,0,0,0,0|1,0,0]=3 2672 B11R0.75 CCOCSC(CO)C(=O)OC 62a_100012276630_100000739092 [0,2,0,0,0,0|1,0,0]=3 2673 B11R0.75 CC[C@H](NCCCF)C(=O)NC 2230a_106657271573_100011934791 [0,2,0,0,0,0|2,0,0]=4 2674 B11R0.75 CC[C@H](NCCCF)C(=O)NC 34a_106657271573_100011934791 [0,2,0,0,0,0|2,0,0]=4 2675 B11R0.75 CC[C@H](NCCCO)C(=O)NC 2230a_106657271573_100000230001 [0,2,0,0,0,0|2,0,0]=4 2676 B11R0.75 CC[C@H](NCCCO)C(=O)NC 34a_106657271573_100000230001 [0,2,0,0,0,0|2,0,0]=4 2677 B11R0.75 CC[C@H](NCCOC)C(=O)NC 2230a_106657271573_100011201679 [0,2,0,0,0,0|2,0,0]=4 2678 B11R0.75 CC[C@H](NCCOC)C(=O)NC 34a_106657271573_100011201679 [0,2,0,0,0,0|2,0,0]=4 2679 B11R0.75 CC[C@H](NCCSC)C(=O)NC 2230a_106657271573_100000751147 [0,2,0,0,0,0|2,0,0]=4 2680 B11R0.75 CC[C@H](NCCSC)C(=O)NC 34a_106657271573_100000212216 [0,2,0,0,0,0|2,0,0]=4 2681 B11R0.75 COC(=O)C(CN)OCCCF 34a_100000695228_100011934791 [0,2,0,0,0,0|2,0,0]=4 2682 B11R0.75 COC(=O)C(CN)OCCCO 34a_100000695228_100000230001 [0,2,0,0,0,0|2,0,0]=4 2683 B11R0.75 COC(=O)C(CN)OCCSC 34a_100000695228_100000212216 [0,2,0,0,0,0|2,0,0]=4 2684 B11R0.75 COC(=O)C(CO)NCCCF 34a_100015189416_100012276630 [0,2,0,0,0,0|1,0,0]=3 2685 B11R0.75 COC(=O)C(CO)OCCCBr 34a_100011217188_100012276630 [0,2,0,0,0,0|1,0,0]=3 2686 B11R0.75 COC(=O)C(CO)OCCCCl 34a_100000230001_100012276630 [0,2,0,0,0,0|1,0,0]=3 2687 B11R0.75 COC(=O)C(CO)OCCCF 34a_100000759539_100012276630 [0,2,0,0,0,0|1,0,0]=3 2688 B11R0.75 COC(=O)C(CO)OCCCN 34a_100000182051_100012276630 [0,2,0,0,0,0|1,0,0]=3 2689 B11R0.75 COC(=O)C(CO)OCCON 34a_100000700252_100012276630 [0,2,0,0,0,0|2,0,0]=4 2690 B11R0.75 COC(=O)C(CO)OCCSC 34a_100000230434_100012276630 [0,2,0,0,0,0|1,0,0]=3 2691 B11R0.75 COC(=O)C(CO)SCCC#N 62a_100011215226_100012276630 [0,2,0,0,0,0|1,0,1]=4 2692 B11R0.75 COC(=O)C(CO)SCCC#N 62a_100012276630_100011215226 [0,2,0,0,0,0|1,0,1]=4 2693 B11R0.75 COC(=O)C(CO)SCCCF 62a_100011934791_100012276630 [0,2,0,0,0,0|1,0,0]=3 2694 B11R0.75 COC(=O)C(CO)SCCCF 62a_100012276630_100011934791 [0,2,0,0,0,0|1,0,0]=3 2695 B11R0.75 COC(=O)C(CO)SCCCO 62a_100011215043_100012276630 [0,2,0,0,0,0|1,0,0]=3 2696 B11R0.75 COC(=O)C(CO)SCCCO 62a_100012276630_100011215043 [0,2,0,0,0,0|1,0,0]=3 2697 B11R0.75 COC(=O)C(CO)SCCSC 62a_100000212216_100012276630 [0,2,0,0,0,0|1,0,0]=3 2698 B11R0.75 COC(=O)C(CO)SCCSC 62a_100012276630_100000751147 [0,2,0,0,0,0|1,0,0]=3 2699 B11R0.75 COCCOC(CN)C(=O)OC 34a_100000695228_100011201679 [0,2,0,0,0,0|2,0,0]=4 2700 B11R0.75 COCCOC(CO)C(=O)OC 34a_100000210237_100012276630 [0,2,0,0,0,0|1,0,0]=3 2701 B11R0.75 COCCSC(CO)C(=O)OC 62a_100000233755_100012276630 [0,2,0,0,0,0|1,0,0]=3 2702 B11R0.75 COCCSC(CO)C(=O)OC 62a_100012276630_100000233755 [0,2,0,0,0,0|1,0,0]=3 2703 B11R0.191 C#CCC(=O)C(CC)CCCC 1458a_100000211130_100000184674 [0,2,0,0,0,0|1,0,0]=3 2704 B11R0.191 C#CCC(=O)C(CC)CCCC 1458a_100011220946_200011216223 [0,2,0,0,0,0|1,0,0]=3 2705 B11R0.191 C#CCC(=O)N(CC)CCCC 1626a_100000207695_100011220946 [0,2,0,0,0,0|2,0,0]=4 2706 B11R0.191 C#CCC(=O)N(CC)CCCC 527a_100000207695_100011220946 [0,2,0,0,0,0|2,0,0]=4 2707 B11R0.191 C=CCC(=O)C(CC)CCCC 1458a_100000210193_200011216223 [0,2,0,0,0,0|1,0,0]=3 2708 B11R0.191 C=CCC(=O)C(CC)CCCC 1458a_100000211130_100000210623 [0,2,0,0,0,0|1,0,0]=3 2709 B11R0.191 C=CCC(=O)N(CC)CCCC 11a_100000207695_100000210193 [0,2,0,0,0,0|2,0,0]=4 2710 B11R0.191 C=CCC(=O)N(CC)CCCC 1626a_100000207695_100000210193 [0,2,0,0,0,0|2,0,0]=4 2711 B11R0.191 C=CCC(=O)N(CC)CCCC 240690a_100000207695_100000210193 [0,2,0,0,0,0|2,0,0]=4 2712 B11R0.191 C=CCC(=O)N(CC)CCCC 527a_100000207695_100000210193 [0,2,0,0,0,0|2,0,0]=4 2713 B11R0.191 CC#CC(=O)C(CC)CCCC 1458a_100000763181_200011216223 [0,2,0,0,0,0|1,0,0]=3 2714 B11R0.191 CC=CC(=O)C(CC)CCCC 1458a_100000210699_200011216223 [0,2,0,0,0,0|1,0,0]=3 2715 B11R0.191 CC=CC(=O)N(CC)CCCC 11a_100000207695_100000210699 [0,2,0,0,0,0|2,0,0]=4 2716 B11R0.191 CC=CC(=O)N(CC)CCCC 1626a_100000207695_100000210699 [0,2,0,0,0,0|2,0,0]=4 2717 B11R0.191 CC=CC(=O)N(CC)CCCC 240690a_100000207695_100000210699 [0,2,0,0,0,0|2,0,0]=4 2718 B11R0.191 CCCCC(CC)C(=O)C=CBr 1458a_100016273825_200011216223 [0,2,0,0,0,0|1,0,1]=4 2719 B11R0.191 CCCCC(CC)C(=O)C=CCl 1458a_200016279998_200011216223 [0,2,0,0,0,0|1,0,1]=4 2720 B11R0.191 CCCCC(CC)C(=O)C=CI 1458a_100016256311_200011216223 [0,2,0,0,0,0|1,0,1]=4 2721 B11R0.191 CCCCC(CC)C(=O)CC#N 1458a_100000211130_100011214920 [0,2,0,0,0,0|1,0,0]=3 2722 B11R0.191 CCCCC(CC)C(=O)CC#N 1458a_100051588842_200011216223 [0,2,0,0,0,0|1,0,0]=3 2723 B11R0.191 CCCCC(CC)C(=O)CCC 1458a_100000211130_100000210303 [0,2,0,0,0,0|1,0,0]=3 2724 B11R0.191 CCCCC(CC)C(=O)CCC 1458a_100000211992_200011216223 [0,2,0,0,0,0|1,0,0]=3 2725 B11R0.191 CCCCC(CC)C(=O)CCF 1458a_100000211130_100011217306 [0,2,0,0,0,0|1,0,0]=3 2726 B11R0.191 CCCCC(CC)C(=O)CCO 1458a_100000211130_100000211926 [0,2,0,0,0,0|1,0,0]=3 2727 B11R0.191 CCCCC(CC)C(=O)CCO 1458a_100011216618_200011216223 [0,2,0,0,0,0|1,0,0]=3 2728 B11R0.191 CCCCC(CC)C(=O)COC 1458a_100000210968_200011216223 [0,2,0,0,0,0|1,0,0]=3 2729 B11R0.191 CCCCC(CC)C(=O)CSC 1458a_100000184570_200011216223 [0,2,0,0,0,0|1,0,0]=3 2730 B11R0.191 CCCCC(CC)C(=O)NCC 11a_100015525214_100000211130 [0,2,0,0,0,0|1,0,0]=3 2731 B11R0.191 CCCCC(CC)C(=O)NCC 240690a_100015525214_100000211130 [0,2,0,0,0,0|1,0,0]=3 2732 B11R0.191 CCCCC(CC)C(=O)NCC 527a_100015525214_100000211130 [0,2,0,0,0,0|1,0,0]=3 2733 B11R0.191 CCCCC(CC)C(=O)NNC 22a_100016993582_100000211130 [0,2,0,0,0,0|1,0,0]=3 2734 B11R0.191 CCCCC(NC)C(=O)OCC 2230a_106832991635_200009813700 [0,2,0,0,0,0|2,0,0]=4 2735 B11R0.191 CCCCC(NC)C(=O)OCC 34a_100102657272_200009813700 [0,2,0,0,0,0|2,0,0]=4 2736 B11R0.191 CCCCC(NC)C(=O)OCC 7a_106832991635_200009813700 [0,2,0,0,0,0|2,0,0]=4 2737 B11R0.191 CCCCC(OC)C(=O)OCC 34a_100138415774_200009813700 [0,2,0,0,0,0|2,0,0]=4 2738 B11R0.191 CCCCC(OC)C(=O)OCC 34a_200011215408_200000210301 [0,2,0,0,0,0|2,0,0]=4 2739 B11R0.191 CCCCC(OC)C(=O)OCC 7a_200011215408_200000210301 [0,2,0,0,0,0|2,0,0]=4 2740 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 34a_200011215408_200025704644 [0,2,0,0,0,0|2,0,0]=4 2741 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 7a_200011215408_200025704644 [0,2,0,0,0,0|2,0,0]=4 2742 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200000210301_200009813700 [0,2,0,0,0,0|2,0,0]=4 2743 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200009813700_200000210301 [0,2,0,0,0,0|2,0,0]=4 2744 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200009813700_200025704644 [0,2,0,0,0,0|2,0,0]=4 2745 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813700 [0,2,0,0,0,0|2,0,0]=4 2746 B11R0.191 CCCCN(CC)C(=O)CC#N 1626a_100000207695_100051588842 [0,2,0,0,0,0|2,0,0]=4 2747 B11R0.191 CCCCN(CC)C(=O)CC#N 240690a_100000207695_100051588842 [0,2,0,0,0,0|2,0,0]=4 2748 B11R0.191 CCCCN(CC)C(=O)CCC 11a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 2749 B11R0.191 CCCCN(CC)C(=O)CCC 1626a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 2750 B11R0.191 CCCCN(CC)C(=O)CCC 240690a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 2751 B11R0.191 CCCCN(CC)C(=O)CCC 527a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 2752 B11R0.191 CCCCN(CC)C(=O)CCO 240690a_100000207695_100011216618 [0,2,0,0,0,0|2,0,0]=4 2753 B11R0.191 CCCCN(CC)C(=O)CNC 2230a_106832991635_100000230192 [0,2,0,0,0,0|2,0,0]=4 2754 B11R0.191 CCCCN(CC)C(=O)CNC 34a_100102657272_100000230192 [0,2,0,0,0,0|2,0,0]=4 2755 B11R0.191 CCCCN(CC)C(=O)CNC 7a_106832991635_100000230192 [0,2,0,0,0,0|2,0,0]=4 2756 B11R0.191 CCCCN(CC)C(=O)COC 11a_100000207695_100000210968 [0,2,0,0,0,0|2,0,0]=4 2757 B11R0.191 CCCCN(CC)C(=O)COC 1626a_100000207695_100000210968 [0,2,0,0,0,0|2,0,0]=4 2758 B11R0.191 CCCCN(CC)C(=O)COC 240690a_100000207695_100000210968 [0,2,0,0,0,0|2,0,0]=4 2759 B11R0.191 CCCCN(CC)C(=O)COC 34a_100138415774_100000230192 [0,2,0,0,0,0|2,0,0]=4 2760 B11R0.191 CCCCN(CC)C(=O)COC 527a_100000207695_100000210968 [0,2,0,0,0,0|2,0,0]=4 2761 B11R0.191 CCCCN(CC)C(=O)CSC 11a_100000207695_100000184570 [0,2,0,0,0,0|2,0,0]=4 2762 B11R0.191 CCCCN(CC)C(=O)CSC 1626a_100000207695_100000184570 [0,2,0,0,0,0|2,0,0]=4 2763 B11R0.191 CCCCN(CC)C(=O)CSC 240690a_100000207695_100000184570 [0,2,0,0,0,0|2,0,0]=4 2764 B11R0.191 CCCCN(CC)C(=O)CSC 527a_100000207695_100000184570 [0,2,0,0,0,0|2,0,0]=4 2765 B11R0.191 CCCCN(CC)C(=O)CSC 62a_200000210301_100000230192 [0,2,0,0,0,0|2,0,0]=4 2766 B11R0.191 CCCCN(CC)C(=O)CS[13CH3] 62a_200025704644_100000230192 [0,2,0,0,0,0|2,0,0]=4 2767 B11R0.191 CCCCN(CC)C(=O)NCC 2708a_100015525214_100000207695 [0,2,0,0,0,0|2,0,0]=4 2768 B11R0.191 CCCCN(CC)C(=O)NCC 273464a_100015525214_100000207695 [0,2,0,0,0,0|2,0,0]=4 2769 B11R0.191 CCCOC(CC)C(=O)OCC 34a_100000210258_100000212269 [0,2,0,0,0,0|2,0,0]=4 2770 B11R0.191 CCCOC(CC)C(=O)OCC 34a_100011216719_100000210303 [0,2,0,0,0,0|2,0,0]=4 2771 B11R0.191 CCCOC(CC)C(=O)OCC 7a_100011216719_100000210303 [0,2,0,0,0,0|2,0,0]=4 2772 B11R0.191 CCCSC(CC)C(=O)OCC 62a_100000210303_100000212269 [0,2,0,0,0,0|2,0,0]=4 2773 B11R0.191 CCCSC(CC)C(=O)OCC 62a_100000212269_100000210303 [0,2,0,0,0,0|2,0,0]=4 2774 B11R0.76 C#CCCCNC(CO)C(=O)O 269956a_100000187304_100011215417 [0,2,0,0,0,0|1,0,1]=4 2775 B11R0.76 C#CCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000731252 [0,2,0,0,0,0|1,0,1]=4 2776 B11R0.76 C#CCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000695029 [0,2,0,0,0,0|1,0,1]=4 2777 B11R0.76 C=CCCCNC(CO)C(=O)O 269956a_100000187304_100011713584 [0,2,0,0,0,0|1,0,1]=4 2778 B11R0.76 C=CCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100011713584 [0,2,0,0,0,0|1,0,1]=4 2779 B11R0.76 C=CCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000757094 [0,2,0,0,0,0|1,0,1]=4 2780 B11R0.76 CC(C)C(CO)CNCCCF 34a_100000692819_100011934791 [0,2,0,0,0,0|1,0,1]=4 2781 B11R0.76 CC(C)C(CO)CNCCCO 34a_100000692819_100000230001 [0,2,0,0,0,0|1,0,1]=4 2782 B11R0.76 CC(C)[C@H](CO)NCCCCF 2230a_100011830312_100000729493 [0,2,0,0,0,0|1,0,1]=4 2783 B11R0.76 CC(C)[C@H](CO)NCCCCF 34a_100011830312_100000729493 [0,2,0,0,0,0|1,0,1]=4 2784 B11R0.76 CC(C)[C@H](CO)NCCCCO 2230a_100011830312_100000210776 [0,2,0,0,0,0|1,0,1]=4 2785 B11R0.76 CC(C)[C@H](CO)NCCCCO 34a_100011830312_100011216708 [0,2,0,0,0,0|1,0,1]=4 2786 B11R0.76 CC/C=C\CNC(CO)C(=O)O 269956a_100000187304_100103147603 [0,2,0,0,0,0|1,0,1]=4 2787 B11R0.76 CC/C=C\CN[C@@H](CO)C(=O)N 2230a_100000729942_100103147603 [0,2,0,0,0,0|1,0,1]=4 2788 B11R0.76 CC/C=C\CN[C@@H](CO)C(=O)N 34a_100000729942_100103147603 [0,2,0,0,0,0|1,0,1]=4 2789 B11R0.76 CCC#CCNC(CO)C(=O)O 269956a_100000187304_100009813939 [0,2,0,0,0,0|1,0,1]=4 2790 B11R0.76 CCC#CCN[C@@H](CO)C(=O)N 2230a_100000729942_100009813939 [0,2,0,0,0,0|1,0,1]=4 2791 B11R0.76 CCC#CCN[C@@H](CO)C(=O)N 34a_100000729942_100009813939 [0,2,0,0,0,0|1,0,1]=4 2792 B11R0.76 CCC(NCCCCF)C(=O)N 2230a_100000733705_100000729493 [0,2,0,0,0,0|2,0,0]=4 2793 B11R0.76 CCC(NCCCCF)C(=O)N 34a_100000733705_100000729493 [0,2,0,0,0,0|2,0,0]=4 2794 B11R0.76 CCC(NCCCCO)C(=O)N 2230a_100000733705_100000210776 [0,2,0,0,0,0|2,0,0]=4 2795 B11R0.76 CCC(NCCCCO)C(=O)N 2230a_100000750430_100000750255 [0,2,0,0,0,0|2,0,0]=4 2796 B11R0.76 CCC(NCCCCO)C(=O)N 34a_100000733705_100011216708 [0,2,0,0,0,0|2,0,0]=4 2797 B11R0.76 CCC(NCCCCO)C(=O)N 34a_100000750430_100000750255 [0,2,0,0,0,0|2,0,0]=4 2798 B11R0.76 CCC(NCCCOC)C(=O)N 2230a_100000733705_100000740836 [0,2,0,0,0,0|2,0,0]=4 2799 B11R0.76 CCC(NCCCOC)C(=O)N 34a_100000733705_100000740836 [0,2,0,0,0,0|2,0,0]=4 2800 B11R0.76 CCC(NCCCOC)C(=O)N 34a_100150723488_100000750255 [0,2,0,0,0,0|2,0,0]=4 2801 B11R0.76 CCC(NCCCSC)C(=O)N 2230a_100000749238_100000750255 [0,2,0,0,0,0|2,0,0]=4 2802 B11R0.76 CCC(OCCCCBr)C(=O)N 34a_100011216708_100000750255 [0,2,0,0,0,0|2,0,0]=4 2803 B11R0.76 CCC(OCCCCCl)C(=O)N 34a_100000210776_100000750255 [0,2,0,0,0,0|2,0,0]=4 2804 B11R0.76 CCC(OCCCCCl)C(=O)N 7a_100000210776_100000750255 [0,2,0,0,0,0|2,0,0]=4 2805 B11R0.76 CCC(OCCCCF)C(=O)N 34a_100011995726_100000750255 [0,2,0,0,0,0|2,0,0]=4 2806 B11R0.76 CCC(OCCCCF)C(=O)N 7a_100011995726_100000750255 [0,2,0,0,0,0|2,0,0]=4 2807 B11R0.76 CCC(OCCCCI)C(=O)N 34a_200012148704_100000750255 [0,2,0,0,0,0|2,0,0]=4 2808 B11R0.76 CCC(OCCCCN)C(=O)N 34a_100000750430_100000750255 [0,2,0,0,0,0|2,0,0]=4 2809 B11R0.76 CCC(OCCCNC)C(=O)N 34a_100000213112_100000750255 [0,2,0,0,0,0|2,0,0]=4 2810 B11R0.76 CCC(OCCCOC)C(=O)N 34a_100000740835_100000750255 [0,2,0,0,0,0|2,0,0]=4 2811 B11R0.76 CCC(OCCCSC)C(=O)N 34a_100000690336_100000750255 [0,2,0,0,0,0|2,0,0]=4 2812 B11R0.76 CCC(OCCCSC)C(=O)N 7a_100000690336_100000750255 [0,2,0,0,0,0|2,0,0]=4 2813 B11R0.76 CCC(SCCCCF)C(=O)N 62a_100000729493_100000750255 [0,2,0,0,0,0|2,0,0]=4 2814 B11R0.76 CCC(SCCCCF)C(=O)N 62a_100000750255_100000729493 [0,2,0,0,0,0|2,0,0]=4 2815 B11R0.76 CCC(SCCCCO)C(=O)N 62a_100000210776_100000750255 [0,2,0,0,0,0|2,0,0]=4 2816 B11R0.76 CCC(SCCCCO)C(=O)N 62a_100000750255_100000210776 [0,2,0,0,0,0|2,0,0]=4 2817 B11R0.76 CCC(SCCCOC)C(=O)N 62a_100000709357_100000750255 [0,2,0,0,0,0|2,0,0]=4 2818 B11R0.76 CCC(SCCCOC)C(=O)N 62a_100000750255_100000709357 [0,2,0,0,0,0|2,0,0]=4 2819 B11R0.76 CCCCCNC(CC)C(=O)N 2230a_100000209983_100000750255 [0,2,0,0,0,0|2,0,0]=4 2820 B11R0.76 CCCCCNC(CC)C(=O)N 2230a_100000733705_100000210326 [0,2,0,0,0,0|2,0,0]=4 2821 B11R0.76 CCCCCNC(CC)C(=O)N 34a_100000733705_100000718602 [0,2,0,0,0,0|2,0,0]=4 2822 B11R0.76 CCCCCNC(CO)C(=O)O 269956a_100000187304_100000210326 [0,2,0,0,0,0|1,0,0]=3 2823 B11R0.76 CCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210326 [0,2,0,0,0,0|1,0,0]=3 2824 B11R0.76 CCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000718602 [0,2,0,0,0,0|1,0,0]=3 2825 B11R0.76 CCCCCN[C@@H](CO)C(C)C 2230a_100011830312_100000210326 [0,2,0,0,0,0|1,0,1]=4 2826 B11R0.76 CCCCCN[C@@H](CO)C(C)C 34a_100011830312_100000718602 [0,2,0,0,0,0|1,0,1]=4 2827 B11R0.76 CCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210326 [0,2,0,0,0,0|2,0,0]=4 2828 B11R0.76 CCCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210326 [0,2,0,0,0,0|0,0,2]=4 2829 B11R0.76 CCCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000718602 [0,2,0,0,0,0|0,0,2]=4 2830 B11R0.76 CCCCCOC(CC)C(=O)N 34a_100000210253_100000750255 [0,2,0,0,0,0|2,0,0]=4 2831 B11R0.76 CCCCCOC(CC)C(=O)N 7a_100000210253_100000750255 [0,2,0,0,0,0|2,0,0]=4 2832 B11R0.76 CCCCCSC(CC)C(=O)N 62a_100000210326_100000750255 [0,2,0,0,0,0|2,0,0]=4 2833 B11R0.76 CCCCCSC(CC)C(=O)N 62a_100000750255_100000210326 [0,2,0,0,0,0|2,0,0]=4 2834 B11R0.76 CCCCNCC(CO)C(C)C 34a_100000692819_100000210210 [0,2,0,0,0,0|1,0,1]=4 2835 B11R0.76 CCOCCNC(CC)C(=O)N 2230a_100000733705_100011215890 [0,2,0,0,0,0|2,0,0]=4 2836 B11R0.76 CCOCCNC(CC)C(=O)N 2230a_102516460346_100000750255 [0,2,0,0,0,0|2,0,0]=4 2837 B11R0.76 CCOCCNC(CC)C(=O)N 34a_100000733705_100000210147 [0,2,0,0,0,0|2,0,0]=4 2838 B11R0.76 CCOCCNC(CC)C(=O)N 34a_102516460346_100000750255 [0,2,0,0,0,0|2,0,0]=4 2839 B11R0.76 CCOCCNC(CO)C(=O)O 269956a_100000187304_100000210147 [0,2,0,0,0,0|1,0,0]=3 2840 B11R0.76 CCOCCN[C@@H](CO)C(=O)N 2230a_100000729942_100011215890 [0,2,0,0,0,0|1,0,0]=3 2841 B11R0.76 CCOCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210147 [0,2,0,0,0,0|1,0,0]=3 2842 B11R0.76 CCOCCN[C@@H](CO)C(C)C 2230a_100011830312_100011215890 [0,2,0,0,0,0|1,0,1]=4 2843 B11R0.76 CCOCCN[C@@H](CO)C(C)C 34a_100011830312_100000210147 [0,2,0,0,0,0|1,0,1]=4 2844 B11R0.76 CCOCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210147 [0,2,0,0,0,0|2,0,0]=4 2845 B11R0.76 CCOCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011215890 [0,2,0,0,0,0|0,0,2]=4 2846 B11R0.76 CCOCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210147 [0,2,0,0,0,0|0,0,2]=4 2847 B11R0.76 CCOCCOC(CC)C(=O)N 34a_100000210136_100000750255 [0,2,0,0,0,0|2,0,0]=4 2848 B11R0.76 CCOCCOC(CC)C(=O)N 7a_100000210136_100000750255 [0,2,0,0,0,0|2,0,0]=4 2849 B11R0.76 CCOCCSC(CC)C(=O)N 62a_100000210147_100000750255 [0,2,0,0,0,0|2,0,0]=4 2850 B11R0.76 CCOCCSC(CC)C(=O)N 62a_100000750255_100011215890 [0,2,0,0,0,0|2,0,0]=4 2851 B11R0.76 CCSCCNC(CC)C(=O)N 2230a_100000106463_100000750255 [0,2,0,0,0,0|2,0,0]=4 2852 B11R0.76 CCSCCNC(CC)C(=O)N 2230a_100000733705_100000757381 [0,2,0,0,0,0|2,0,0]=4 2853 B11R0.76 CCSCCNC(CC)C(=O)N 34a_100000733705_100000757381 [0,2,0,0,0,0|2,0,0]=4 2854 B11R0.76 CCSCCNC(CO)C(=O)O 269956a_100000187304_100000757381 [0,2,0,0,0,0|1,0,0]=3 2855 B11R0.76 CCSCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000757381 [0,2,0,0,0,0|1,0,0]=3 2856 B11R0.76 CCSCCN[C@@H](CO)C(=O)N 34a_100000729942_100000757381 [0,2,0,0,0,0|1,0,0]=3 2857 B11R0.76 CCSCCN[C@@H](CO)C(C)C 2230a_100011830312_100000757381 [0,2,0,0,0,0|1,0,1]=4 2858 B11R0.76 CCSCCN[C@@H](CO)C(C)C 34a_100011830312_100000757381 [0,2,0,0,0,0|1,0,1]=4 2859 B11R0.76 CCSCCN[C@H](CC)C(=O)O 269956a_100000747097_100000757381 [0,2,0,0,0,0|2,0,0]=4 2860 B11R0.76 CCSCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000757381 [0,2,0,0,0,0|0,0,2]=4 2861 B11R0.76 CCSCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000757381 [0,2,0,0,0,0|0,0,2]=4 2862 B11R0.76 CCSCCOC(CC)C(=O)N 34a_100000212035_100000750255 [0,2,0,0,0,0|2,0,0]=4 2863 B11R0.76 CCSCCOC(CC)C(=O)N 7a_100000212035_100000750255 [0,2,0,0,0,0|2,0,0]=4 2864 B11R0.76 CCSCCSC(CC)C(=O)N 62a_100000750255_100000757381 [0,2,0,0,0,0|2,0,0]=4 2865 B11R0.76 CCSCCSC(CC)C(=O)N 62a_100000757381_100000750255 [0,2,0,0,0,0|2,0,0]=4 2866 B11R0.76 CC[C@@H](NCCCCF)C(=O)O 269956a_100000747097_100000729493 [0,2,0,0,0,0|2,0,0]=4 2867 B11R0.76 CC[C@@H](NCCCCO)C(=O)O 269956a_100000747097_100000210776 [0,2,0,0,0,0|2,0,0]=4 2868 B11R0.76 CC[C@@H](NCCCOC)C(=O)O 269956a_100000747097_100000740836 [0,2,0,0,0,0|2,0,0]=4 2869 B11R0.76 COCCCNC(CO)C(=O)O 269956a_100000187304_100000740836 [0,2,0,0,0,0|1,0,0]=3 2870 B11R0.76 COCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000740836 [0,2,0,0,0,0|1,0,0]=3 2871 B11R0.76 COCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000740836 [0,2,0,0,0,0|1,0,0]=3 2872 B11R0.76 COCCCN[C@@H](CO)C(C)C 2230a_100011830312_100000740836 [0,2,0,0,0,0|1,0,1]=4 2873 B11R0.76 COCCCN[C@@H](CO)C(C)C 34a_100011830312_100000740836 [0,2,0,0,0,0|1,0,1]=4 2874 B11R0.76 COCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000740836 [0,2,0,0,0,0|0,0,2]=4 2875 B11R0.76 COCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000740836 [0,2,0,0,0,0|0,0,2]=4 2876 B11R0.76 COCCNCC(CO)C(C)C 34a_100000692819_100011201679 [0,2,0,0,0,0|1,0,1]=4 2877 B11R0.76 CSCCNCC(CO)C(C)C 34a_100000692819_100000212216 [0,2,0,0,0,0|1,0,1]=4 2878 B11R0.76 C[C@@H](O)[C@@H](CO)NCCCCF 2230a_100015196842_100000729493 [0,2,0,0,0,0|0,0,2]=4 2879 B11R0.76 C[C@@H](O)[C@@H](CO)NCCCCF 34a_100015196842_100000729493 [0,2,0,0,0,0|0,0,2]=4 2880 B11R0.76 C[C@@H](O)[C@@H](CO)NCCCCO 2230a_100015196842_100000210776 [0,2,0,0,0,0|0,0,2]=4 2881 B11R0.76 C[C@@H](O)[C@@H](CO)NCCCCO 34a_100015196842_100011216708 [0,2,0,0,0,0|0,0,2]=4 2882 B11R0.76 N#CCCCNC(CO)C(=O)O 269956a_100000187304_100000687738 [0,2,0,0,0,0|1,0,1]=4 2883 B11R0.76 N#CCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000687738 [0,2,0,0,0,0|1,0,1]=4 2884 B11R0.76 NC(=O)[C@H](CO)NCCCC=O 2230a_100000729942_200011292268 [0,2,0,0,0,0|1,0,1]=4 2885 B11R0.76 NC(=O)[C@H](CO)NCCCCF 2230a_100000729942_100000729493 [0,2,0,0,0,0|1,0,0]=3 2886 B11R0.76 NC(=O)[C@H](CO)NCCCCF 34a_100000729942_100000729493 [0,2,0,0,0,0|1,0,0]=3 2887 B11R0.76 NC(=O)[C@H](CO)NCCCCO 2230a_100000729942_100000210776 [0,2,0,0,0,0|1,0,0]=3 2888 B11R0.76 NC(=O)[C@H](CO)NCCCCO 34a_100000729942_100011216708 [0,2,0,0,0,0|1,0,0]=3 2889 B11R0.76 O=C(O)C(CO)NCCCCF 269956a_100000187304_100000729493 [0,2,0,0,0,0|1,0,0]=3 2890 B11R0.76 O=C(O)C(CO)NCCCCO 269956a_100000187304_100000210776 [0,2,0,0,0,0|1,0,0]=3 2891 B11R0.76 O=CCCCNC(CO)C(=O)O 269956a_100000187304_200011292268 [0,2,0,0,0,0|1,0,1]=4 2892 B11R0.78 CCCCCC(CCC)C(=O)C 1458a_200011416452_200000210301 [0,2,0,0,0,0|1,0,0]=3 2893 B11R0.78 CCCCCC(CCC)C(=O)[13CH3] 1458a_200011416452_200025704644 [0,2,0,0,0,0|1,0,0]=3 2894 B11R0.78 CCCCCN(CCC)C(=O)C 11a_200000226819_100015343762 [0,2,0,0,0,0|2,0,0]=4 2895 B11R0.78 CCCCCN(CCC)C(=O)C 1626a_200000226819_100015343762 [0,2,0,0,0,0|2,0,0]=4 2896 B11R0.78 CCCCCN(CCC)C(=O)C 240690a_200000226819_100015343762 [0,2,0,0,0,0|2,0,0]=4 2897 B11R0.78 CCCCCN(CCC)C(=O)C 527a_200000226819_100103153847 [0,2,0,0,0,0|2,0,0]=4 2898 B11R0.78 CCCCCN(CCO)C(=O)C 240690a_100000224656_100015343762 [0,2,0,0,0,0|1,0,0]=3 2899 B11R0.78 CCCCCN(CCO)C(=O)C 527a_100000224656_100103153847 [0,2,0,0,0,0|1,0,0]=3 2900 B11R0.78 CCCCNC(CCO)C(C)C 2230a_100161115045_100000210211 [0,2,0,0,0,0|1,0,1]=4 2901 B11R0.78 CCCCNC(CCO)C(C)C 34a_100161115045_100000210210 [0,2,0,0,0,0|1,0,1]=4 2902 B11R0.78 CCCCNC(COC)C(C)C 2230a_100000760233_100000210211 [0,2,0,0,0,0|1,0,1]=4 2903 B11R0.78 CCCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210211 [0,2,0,0,0,0|2,0,0]=4 2904 B11R0.78 CCCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210210 [0,2,0,0,0,0|2,0,0]=4 2905 B11R0.78 CCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210211 [0,2,0,0,0,0|2,0,0]=4 2906 B11R0.78 CCCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210211 [0,2,0,0,0,0|1,1,0]=4 2907 B11R0.78 CCCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210211 [0,2,0,0,0,0|1,1,0]=4 2908 B11R0.78 CCCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210211 [0,2,0,0,0,0|1,0,0]=3 2909 B11R0.78 CCCCOC(CCC)C(=O)N 34a_100011626294_100000210210 [0,2,0,0,0,0|2,0,0]=4 2910 B11R0.78 CCCCOC(CCC)C(=O)N 7a_100011626294_100000210211 [0,2,0,0,0,0|2,0,0]=4 2911 B11R0.78 CCOCN[C@H](COC)C(=O)O 269956a_100011998655_100000739092 [0,2,0,0,0,0|2,0,0]=4 2912 B11R0.78 COCCN[C@H](COC)C(=O)O 269956a_100011998655_100000233755 [0,2,0,0,0,0|2,0,0]=4 2913 B11R0.78 COC[C@@H](NCCCF)C(=O)O 269956a_100011998655_100011934791 [0,2,0,0,0,0|2,0,0]=4 2914 B11R0.78 COC[C@@H](NCCCO)C(=O)O 269956a_100011998655_100011215043 [0,2,0,0,0,0|2,0,0]=4 2915 B11R0.78 COC[C@@H](NCCSC)C(=O)O 269956a_100011998655_100000212216 [0,2,0,0,0,0|2,0,0]=4 2916 B11R0.222 CCCCN[C@H](CO)C(C)(C)C 2230a_100000763378_100000210211 [0,2,0,0,0,0|1,0,1]=4 2917 B11R0.238 CCCCC(=O)C(CC)C(=O)N 1458a_100000210183_100000750255 [0,2,0,0,0,0|2,0,0]=4 2918 B11R0.238 CCCCN(C)C(CC)C(=O)N 2230a_100000207549_100000750255 [0,2,0,0,0,0|2,0,0]=4 2919 B11R0.238 CCCCN(C)C(CC)C(=O)N 269982a_100000207549_100000750255 [0,2,0,0,0,0|2,0,0]=4 2920 B11R0.238 CCCCN(C)[C@@H](CC)C(=O)N 2230a_103436537554_100000210211 [0,2,0,0,0,0|2,0,0]=4 2921 B11R0.238 CCCCN(C)[C@@H](CC)C(=O)N 269982a_103436537554_100000210211 [0,2,0,0,0,0|2,0,0]=4 2922 B11R0.238 CCCCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210211 [0,2,0,0,0,0|1,0,0]=3 2923 B11R0.238 CCCNC(=O)C(CC)C(=O)C 1458a_100000070787_200011763335 [0,2,0,0,0,0|1,0,1]=4 2924 B11R0.238 CCOCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000739092 [0,2,0,0,0,0|2,0,0]=4 2925 B11R0.238 CN(CCCF)[C@@H](CO)C(=O)O 269956a_100015362447_100011934791 [0,2,0,0,0,0|2,0,0]=4 2926 B11R0.238 CN(CCCO)[C@@H](CO)C(=O)O 269956a_100015362447_100011215043 [0,2,0,0,0,0|2,0,0]=4 2927 B11R0.238 COCCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000233755 [0,2,0,0,0,0|2,0,0]=4 2928 B11R0.238 CSCCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000212216 [0,2,0,0,0,0|2,0,0]=4 2929 B11R0.273 C=C(C)CCNC(CO)C(=O)O 269956a_100000187304_100000730704 [0,2,0,0,0,0|1,0,1]=4 2930 B11R0.273 C=C(C)CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000730704 [0,2,0,0,0,0|1,0,1]=4 2931 B11R0.273 C=C(C)CCN[C@@H](CO)C(=O)N 34a_100000729942_100000730704 [0,2,0,0,0,0|1,0,1]=4 2932 B11R0.273 CC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000053229 [0,2,0,0,0,0|1,0,1]=4 2933 B11R0.273 CC(C)C(CO)CNC[C@@H](C)O 34a_100000692819_100009817552 [0,2,0,0,0,0|1,0,1]=4 2934 B11R0.273 CC(C)CCNC(CO)C(=O)O 269956a_100000187304_100000210312 [0,2,0,0,0,0|1,0,0]=3 2935 B11R0.273 CC(C)CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210312 [0,2,0,0,0,0|1,0,0]=3 2936 B11R0.273 CC(C)CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210312 [0,2,0,0,0,0|1,0,0]=3 2937 B11R0.273 CC(C)CCN[C@@H](CO)C(C)C 2230a_100011830312_100000210312 [0,2,0,0,0,0|1,0,1]=4 2938 B11R0.273 CC(C)CCN[C@@H](CO)C(C)C 269862a_100011830312_100000185833 [0,2,0,0,0,0|1,0,1]=4 2939 B11R0.273 CC(C)CCN[C@@H](CO)C(C)C 34a_100011830312_100000210312 [0,2,0,0,0,0|1,0,1]=4 2940 B11R0.273 CC(C)CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210312 [0,2,0,0,0,0|0,0,2]=4 2941 B11R0.273 CC(C)CCN[C@H](CO)[C@@H](C)O 269862a_100015196842_100000185833 [0,2,0,0,0,0|0,0,2]=4 2942 B11R0.273 CC(C)CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210312 [0,2,0,0,0,0|0,0,2]=4 2943 B11R0.273 CC(C)CNCC(CO)C(C)C 270004a_100000692819_100000210432 [0,2,0,0,0,0|1,0,1]=4 2944 B11R0.273 CC(C)CNCC(CO)C(C)C 34a_100000692819_100000210624 [0,2,0,0,0,0|1,0,1]=4 2945 B11R0.273 CC(C)OCNC(CO)C(=O)O 269956a_100000187304_100000709892 [0,2,0,0,0,0|2,0,0]=4 2946 B11R0.273 CC(C)OCN[C@@H](CO)C(=O)N 2230a_100000729942_100000709892 [0,2,0,0,0,0|2,0,0]=4 2947 B11R0.273 CC(C)OCN[C@@H](CO)C(=O)N 34a_100000729942_100000709892 [0,2,0,0,0,0|2,0,0]=4 2948 B11R0.273 CC(O)CCNC(CO)C(=O)O 269956a_100000187304_100012276601 [0,2,0,0,0,0|1,0,0]=3 2949 B11R0.273 CC(O)CCN[C@@H](CO)C(=O)N 2230a_100000729942_100012276601 [0,2,0,0,0,0|1,0,0]=3 2950 B11R0.273 CC(O)CCN[C@@H](CO)C(=O)N 34a_100000729942_100012276601 [0,2,0,0,0,0|1,0,0]=3 2951 B11R0.273 CC(O)CCN[C@@H](CO)C(C)C 2230a_100011830312_100012276601 [0,2,0,0,0,0|1,0,1]=4 2952 B11R0.273 CC(O)CCN[C@@H](CO)C(C)C 34a_100011830312_100012276601 [0,2,0,0,0,0|1,0,1]=4 2953 B11R0.273 CC(O)CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100012276601 [0,2,0,0,0,0|0,0,2]=4 2954 B11R0.273 CC(O)CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100012276601 [0,2,0,0,0,0|0,0,2]=4 2955 B11R0.273 CC(O)CNCC(CO)C(C)C 34a_100000692819_100011218427 [0,2,0,0,0,0|1,0,1]=4 2956 B11R0.273 CCC(NCCC(C)C)C(=O)N 2230a_100000733705_100000210312 [0,2,0,0,0,0|2,0,0]=4 2957 B11R0.273 CCC(NCCC(C)C)C(=O)N 34a_100000733705_100000210312 [0,2,0,0,0,0|2,0,0]=4 2958 B11R0.273 CCC(NCCC(C)O)C(=O)N 2230a_100000733705_100012276601 [0,2,0,0,0,0|2,0,0]=4 2959 B11R0.273 CCC(NCCC(C)O)C(=O)N 2230a_200000755665_100000750255 [0,2,0,0,0,0|2,0,0]=4 2960 B11R0.273 CCC(NCCC(C)O)C(=O)N 34a_100000733705_100012276601 [0,2,0,0,0,0|2,0,0]=4 2961 B11R0.273 CCC(OCCC(C)Br)C(=O)N 34a_100009893172_100000750255 [0,2,0,0,0,0|2,0,0]=4 2962 B11R0.273 CCC(OCCC(C)C)C(=O)N 34a_100000210254_100000750255 [0,2,0,0,0,0|2,0,0]=4 2963 B11R0.273 CCC(OCCC(C)C)C(=O)N 7a_100000210254_100000750255 [0,2,0,0,0,0|2,0,0]=4 2964 B11R0.273 CCC(OCC[C@@H](C)N)C(=O)N 34a_100000706166_100000750255 [0,2,0,0,0,0|2,0,0]=4 2965 B11R0.273 CCC(SCCC(C)C)C(=O)N 62a_100000210312_100000750255 [0,2,0,0,0,0|2,0,0]=4 2966 B11R0.273 CCC(SCCC(C)C)C(=O)N 62a_100000750255_100000210312 [0,2,0,0,0,0|2,0,0]=4 2967 B11R0.273 CCC(SCCC(C)O)C(=O)N 62a_100000750255_100012276601 [0,2,0,0,0,0|2,0,0]=4 2968 B11R0.273 CCC(SCCC(C)O)C(=O)N 62a_100012276601_100000750255 [0,2,0,0,0,0|2,0,0]=4 2969 B11R0.273 CCN(CCCN(C)C)C(=O)C 240690a_100000225837_100015343762 [0,2,0,0,0,0|2,0,0]=4 2970 B11R0.273 CCN(CCCN(C)C)C(=O)C 527a_100000225837_100103153847 [0,2,0,0,0,0|2,0,0]=4 2971 B11R0.273 CC[C@@H](NCCC(C)C)C(=O)O 269956a_100000747097_100000210312 [0,2,0,0,0,0|2,0,0]=4 2972 B11R0.273 CC[C@@H](NCCC(C)O)C(=O)O 269956a_100000747097_100012276601 [0,2,0,0,0,0|2,0,0]=4 2973 B11R0.273 CN(C)CCNC(CO)C(=O)O 269956a_100000187304_100000755713 [0,2,0,0,0,0|2,0,0]=4 2974 B11R0.329 CCCCNC(C)(CC)C(=O)O 269956a_100025756313_100000210211 [0,2,0,0,0,0|2,0,0]=4 2975 B11R0.8 CCCCN(CCO)S(=O)(=O)C 40a_100000198060_100000738038 [0,2,0,0,0,0|2,0,0]=4 2976 B11R0.36 C#CCNC(CCCC)C(=O)N 34a_100000212058_100000748834 [0,2,0,0,0,0|2,0,0]=4 2977 B11R0.36 C#CCN[C@@H](CCCC)C(=O)N 2230a_100000124899_100000038162 [0,2,0,0,0,0|2,0,0]=4 2978 B11R0.36 C#CCN[C@@H](CCCC)C(=O)N 34a_100000124899_100000184674 [0,2,0,0,0,0|2,0,0]=4 2979 B11R0.36 C#CCOC(CCCC)C(=O)N 34a_100000210247_100000748834 [0,2,0,0,0,0|2,0,0]=4 2980 B11R0.36 C#CCSC(CCCC)C(=O)N 62a_100000038162_100000748834 [0,2,0,0,0,0|2,0,0]=4 2981 B11R0.36 C=CCNC(CCCC)C(=O)N 2230a_100020586998_100000748834 [0,2,0,0,0,0|2,0,0]=4 2982 B11R0.36 C=CCN[C@@H](CCCC)C(=O)N 2230a_100000124899_100000210623 [0,2,0,0,0,0|2,0,0]=4 2983 B11R0.36 C=CCN[C@@H](CCCC)C(=O)N 34a_100000124899_100015514636 [0,2,0,0,0,0|2,0,0]=4 2984 B11R0.36 C=CCOC(CCCC)C(=O)N 34a_200000210373_100000748834 [0,2,0,0,0,0|2,0,0]=4 2985 B11R0.36 C=CCSC(CCCC)C(=O)N 62a_100000210623_100000748834 [0,2,0,0,0,0|2,0,0]=4 2986 B11R0.36 C=CCSC(CCCC)C(=O)N 62a_100000748834_100000210623 [0,2,0,0,0,0|2,0,0]=4 2987 B11R0.36 CC(=O)N(CCCO)CCCO 240690a_100000212923_100015343762 [0,2,0,0,0,0|2,0,0]=4 2988 B11R0.36 CC(=O)N(CCCO)CCCO 527a_100000212923_100103153847 [0,2,0,0,0,0|2,0,0]=4 2989 B11R0.36 CCCCC(CCCC)C(=O)C 1458a_100000078208_200000210301 [0,2,0,0,0,0|1,0,0]=3 2990 B11R0.36 CCCCC(CCCC)C(=O)[13CH3] 1458a_100000078208_200025704644 [0,2,0,0,0,0|1,0,0]=3 2991 B11R0.36 CCCCC(NCCF)C(=O)N 34a_100000724931_100000748834 [0,2,0,0,0,0|2,0,0]=4 2992 B11R0.36 CCCCC(NCCO)C(=O)N 2230a_100016997473_100000748834 [0,2,0,0,0,0|1,0,0]=3 2993 B11R0.36 CCCCC(NCCO)C(=O)N 34a_100016990907_100000748834 [0,2,0,0,0,0|1,0,0]=3 2994 B11R0.36 CCCCC(NCCO)C(C)C 270004a_100000210304_200011215219 [0,2,0,0,0,0|1,0,1]=4 2995 B11R0.36 CCCCC(OCCBr)C(=O)N 34a_100000211926_100000748834 [0,2,0,0,0,0|2,0,0]=4 2996 B11R0.36 CCCCC(OCCC)C(=O)N 34a_100000210258_100000748834 [0,2,0,0,0,0|2,0,0]=4 2997 B11R0.36 CCCCC(OCCN)C(=O)N 34a_100000210304_100000748834 [0,2,0,0,0,0|2,0,0]=4 2998 B11R0.36 CCCCC(SCC#N)C(=O)N 62a_100000748834_100011215382 [0,2,0,0,0,0|2,0,0]=4 2999 B11R0.36 CCCCC(SCC#N)C(=O)N 62a_100011215382_100000748834 [0,2,0,0,0,0|2,0,0]=4 3000 B11R0.36 CCCCC(SCC=O)C(=O)N 62a_100000748834_200015260668 [0,2,0,0,0,0|1,0,1]=4 3001 B11R0.36 CCCCC(SCC=O)C(=O)N 62a_200015260668_100000748834 [0,2,0,0,0,0|1,0,1]=4 3002 B11R0.36 CCCCC(SCCC)C(=O)N 62a_100000210303_100000748834 [0,2,0,0,0,0|2,0,0]=4 3003 B11R0.36 CCCCC(SCCC)C(=O)N 62a_100000748834_100000210303 [0,2,0,0,0,0|2,0,0]=4 3004 B11R0.36 CCCCC(SCCF)C(=O)N 62a_100000748834_100011217306 [0,2,0,0,0,0|2,0,0]=4 3005 B11R0.36 CCCCC(SCCF)C(=O)N 62a_100011217306_100000748834 [0,2,0,0,0,0|2,0,0]=4 3006 B11R0.36 CCCCC(SCCO)C(=O)N 62a_100000211926_100000748834 [0,2,0,0,0,0|1,0,0]=3 3007 B11R0.36 CCCCC(SCCO)C(=O)N 62a_100000748834_100000211926 [0,2,0,0,0,0|1,0,0]=3 3008 B11R0.36 CCCCC(SCOC)C(=O)N 62a_100000748834_100000766300 [0,2,0,0,0,0|1,0,0]=3 3009 B11R0.36 CCCCC(SCOC)C(=O)N 62a_100000766300_100000748834 [0,2,0,0,0,0|1,0,0]=3 3010 B11R0.36 CCCCC(SCSC)C(=O)N 62a_100000748834_100011218213 [0,2,0,0,0,0|1,1,0]=4 3011 B11R0.36 CCCCC(SCSC)C(=O)N 62a_100011218213_100000748834 [0,2,0,0,0,0|1,1,0]=4 3012 B11R0.36 CCCCN(CCC#N)C(=O)C 11a_200000177648_100015343762 [0,2,0,0,0,0|2,0,0]=4 3013 B11R0.36 CCCCN(CCC#N)C(=O)C 1626a_200000177648_100015343762 [0,2,0,0,0,0|2,0,0]=4 3014 B11R0.36 CCCCN(CCC#N)C(=O)C 240690a_200000177648_100015343762 [0,2,0,0,0,0|2,0,0]=4 3015 B11R0.36 CCCCN(CCCC)C(=O)C 11a_100000684618_100015343762 [0,2,0,0,0,0|2,0,0]=4 3016 B11R0.36 CCCCN(CCCC)C(=O)C 1626a_100000684618_100015343762 [0,2,0,0,0,0|2,0,0]=4 3017 B11R0.36 CCCCN(CCCC)C(=O)C 240690a_100000684618_100015343762 [0,2,0,0,0,0|2,0,0]=4 3018 B11R0.36 CCCCN(CCCC)C(=O)C 527a_100000684618_100103153847 [0,2,0,0,0,0|2,0,0]=4 3019 B11R0.36 CCCCN(CCOC)C(=O)C 11a_100000207391_100015343762 [0,2,0,0,0,0|1,0,0]=3 3020 B11R0.36 CCCCN(CCOC)C(=O)C 1626a_100000207391_100015343762 [0,2,0,0,0,0|1,0,0]=3 3021 B11R0.36 CCCCN(CCOC)C(=O)C 240690a_100000207391_100015343762 [0,2,0,0,0,0|1,0,0]=3 3022 B11R0.36 CCCCN(CCOC)C(=O)C 527a_100000207391_100103153847 [0,2,0,0,0,0|1,0,0]=3 3023 B11R0.36 CCCC[C@H](NCC#N)C(=O)N 2230a_100000124899_100011215382 [0,2,0,0,0,0|2,0,0]=4 3024 B11R0.36 CCCC[C@H](NCC=O)C(=O)N 2230a_100000124899_200015260668 [0,2,0,0,0,0|1,0,1]=4 3025 B11R0.36 CCCC[C@H](NCC=O)C(=O)N 34a_100000124899_200009817547 [0,2,0,0,0,0|1,0,1]=4 3026 B11R0.36 CCCC[C@H](NCCC)C(=O)N 2230a_100000124899_100000210303 [0,2,0,0,0,0|2,0,0]=4 3027 B11R0.36 CCCC[C@H](NCCC)C(=O)N 34a_100000124899_100000210303 [0,2,0,0,0,0|2,0,0]=4 3028 B11R0.36 CCCC[C@H](NCCF)C(=O)N 2230a_100000124899_100011217306 [0,2,0,0,0,0|2,0,0]=4 3029 B11R0.36 CCCC[C@H](NCCF)C(=O)N 34a_100000124899_100011217306 [0,2,0,0,0,0|2,0,0]=4 3030 B11R0.36 CCCC[C@H](NCCO)C(=O)N 2230a_100000124899_100000211926 [0,2,0,0,0,0|1,0,0]=3 3031 B11R0.36 CCCC[C@H](NCCO)C(=O)N 34a_100000124899_100000211926 [0,2,0,0,0,0|1,0,0]=3 3032 B11R0.36 CCCC[C@H](NCOC)C(=O)N 2230a_100000124899_100000766300 [0,2,0,0,0,0|1,0,0]=3 3033 B11R0.36 CCCC[C@H](NCSC)C(=O)N 2230a_100000124899_100011218213 [0,2,0,0,0,0|1,1,0]=4 3034 B11R0.36 CCCC[C@H](NCSC)C(=O)N 34a_100000124899_100011218213 [0,2,0,0,0,0|1,1,0]=4 3035 B11R0.36 COCCN(CCOC)C(=O)C 11a_100000210589_100015343762 [0,2,0,0,0,0|2,0,0]=4 3036 B11R0.36 COCCN(CCOC)C(=O)C 1626a_100000210589_100015343762 [0,2,0,0,0,0|2,0,0]=4 3037 B11R0.36 COCCN(CCOC)C(=O)C 240690a_100000210589_100015343762 [0,2,0,0,0,0|2,0,0]=4 3038 B11R0.36 COCCN(CCOC)C(=O)C 527a_100000210589_100103153847 [0,2,0,0,0,0|2,0,0]=4 3039 B11R0.36 COCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000766300 [0,2,0,0,0,0|2,0,0]=4 3040 B11R0.36 COCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000766300 [0,2,0,0,0,0|2,0,0]=4 3041 B11R0.36 COCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000766300 [0,2,0,0,0,0|2,0,0]=4 3042 B11R0.36 CSCC[C@H](NCCO)C(=O)N 2230a_100000119342_100000211926 [0,2,0,0,0,0|2,0,0]=4 3043 B11R0.36 CSCC[C@H](NCCO)C(=O)N 34a_100000119342_100000211926 [0,2,0,0,0,0|2,0,0]=4 3044 B11R0.36 CSCC[C@H](NCCO)C(=O)O 269956a_100000743919_100000211926 [0,2,0,0,0,0|2,0,0]=4 3045 B11R0.36 C[Se]CC[C@H](NCCO)C(=O)O 269956a_100020619752_100000211926 [0,2,0,0,0,0|2,0,0]=4 3046 B11R0.57 CCC[C@@H](N)C(OCC)C(=O)N 34a_200132311066_100000210202 [0,2,0,0,0,0|2,0,0]=4 3047 B11R0.57 CCC[C@@H](N)C(OCF)C(=O)N 34a_200132311066_100015361967 [0,2,0,0,0,0|2,0,0]=4 3048 B11R0.356 CCCCC(CC)(CC)C(=O)C 1458a_200011736273_200000210301 [0,2,0,0,0,0|1,0,0]=3 3049 B11R0.356 CCCCC(CC)(CC)C(=O)[13CH3] 1458a_200011736273_200025704644 [0,2,0,0,0,0|1,0,0]=3 3050 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [1,0,0,1,0,0|0,0,2]=4 3051 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [1,0,0,1,0,0|0,0,2]=4 3052 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [1,0,0,1,0,0|0,0,2]=4 3053 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|0,0,0]=2 3054 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|0,0,0]=2 3055 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [1,0,0,1,0,0|0,0,0]=2 3056 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,0,0,1,0,0|1,0,0]=3 3057 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,0,0,1,0,0|1,0,0]=3 3058 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [1,0,0,1,0,0|1,0,0]=3 3059 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [1,0,0,1,0,0|1,0,0]=3 3060 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [1,0,0,1,0,0|1,0,0]=3 3061 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [1,0,0,1,0,0|1,0,0]=3 3062 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [1,0,0,1,0,0|1,1,0]=4 3063 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [1,0,0,1,0,0|2,0,0]=4 3064 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [1,0,0,1,0,0|2,0,0]=4 3065 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [1,0,0,1,0,0|2,0,0]=4 3066 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [1,0,0,1,0,0|2,0,0]=4 3067 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [1,0,0,1,0,0|2,0,0]=4 3068 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [1,0,0,1,0,0|2,0,0]=4 3069 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [1,0,0,1,0,0|2,0,0]=4 3070 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [1,0,0,1,0,0|2,0,0]=4 3071 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [1,0,0,1,0,0|2,0,0]=4 3072 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [1,0,0,1,0,0|0,0,2]=4 3073 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [1,0,0,1,0,0|2,0,0]=4 3074 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [1,0,0,1,0,0|2,0,0]=4 3075 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [1,0,0,1,0,0|2,0,0]=4 3076 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [1,0,0,1,0,0|2,0,0]=4 3077 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [1,0,0,1,0,0|2,0,0]=4 3078 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [1,0,0,1,0,0|2,0,0]=4 3079 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [1,0,0,1,0,0|2,0,0]=4 3080 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [1,0,0,1,0,0|2,0,0]=4 3081 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [1,0,0,1,0,0|0,0,2]=4 3082 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [1,0,0,1,0,0|0,0,2]=4 3083 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|0,0,0]=2 3084 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [1,0,0,1,0,0|0,0,0]=2 3085 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,0,0,1,0,0|1,0,0]=3 3086 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [1,0,0,1,0,0|1,0,0]=3 3087 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [1,0,0,1,0,0|1,0,0]=3 3088 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [1,0,0,1,0,0|1,0,0]=3 3089 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [1,0,0,1,0,0|1,1,0]=4 3090 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [1,0,0,1,0,0|0,0,2]=4 3091 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [1,0,0,1,0,0|2,0,0]=4 3092 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [1,0,0,1,0,0|2,0,0]=4 3093 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [1,0,0,1,0,0|2,0,0]=4 3094 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [1,0,0,1,0,0|2,0,0]=4 3095 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [1,0,0,1,0,0|1,0,0]=3 3096 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [1,0,0,1,0,0|1,0,0]=3 3097 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [1,0,0,1,0,0|2,0,0]=4 3098 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [1,0,0,1,0,0|2,0,0]=4 3099 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [1,0,0,1,0,0|2,0,0]=4 3100 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [1,0,0,1,0,0|2,0,0]=4 3101 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [1,0,0,1,0,0|2,0,0]=4 3102 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [1,0,0,1,0,0|2,0,0]=4 3103 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [1,0,0,1,0,0|1,0,0]=3 3104 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [1,0,0,1,0,0|1,0,0]=3 3105 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [1,0,0,1,0,0|1,0,0]=3 3106 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [1,0,0,1,0,0|1,0,1]=4 3107 B9R1.35 CC1CCC(C1)N(C)C 270004a_100102631434_100011215218 [1,0,0,1,0,0|2,0,0]=4 3108 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [1,0,0,1,0,0|2,0,0]=4 3109 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [1,0,0,1,0,0|2,0,0]=4 3110 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [1,0,0,1,0,0|2,0,0]=4 3111 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [1,0,0,1,0,0|1,0,0]=3 3112 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [1,0,0,1,0,0|1,0,0]=3 3113 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [1,0,0,1,0,0|1,0,1]=4 3114 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [1,0,0,1,0,0|2,0,0]=4 3115 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [1,0,0,1,0,0|2,0,0]=4 3116 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [1,0,0,1,0,0|2,0,0]=4 3117 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [1,0,0,1,0,0|1,0,0]=3 3118 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [1,0,0,1,0,0|1,0,0]=3 3119 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [1,0,0,1,0,0|1,0,0]=3 3120 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [1,0,0,1,0,0|1,0,0]=3 3121 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [1,0,0,1,0,0|1,0,0]=3 3122 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [1,0,0,1,0,0|2,0,0]=4 3123 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [1,0,0,1,0,0|2,0,0]=4 3124 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [1,0,0,1,0,0|1,0,0]=3 3125 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [1,0,0,1,0,0|1,0,0]=3 3126 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [1,0,0,1,0,0|2,0,0]=4 3127 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [1,0,0,1,0,0|2,0,0]=4 3128 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [1,0,0,1,0,0|2,0,0]=4 3129 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [1,0,0,1,0,0|2,0,0]=4 3130 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [1,0,0,1,0,0|2,0,0]=4 3131 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [1,0,0,1,0,0|2,0,0]=4 3132 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [1,0,0,1,0,0|2,0,0]=4 3133 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [1,0,0,1,0,0|2,0,0]=4 3134 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [1,0,0,1,0,0|2,0,0]=4 3135 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [1,0,0,1,0,0|2,0,0]=4 3136 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [1,0,0,1,0,0|1,0,0]=3 3137 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [1,0,0,1,0,0|1,0,0]=3 3138 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [1,0,0,1,0,0|2,0,0]=4 3139 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [1,0,0,1,0,0|2,0,0]=4 3140 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [1,0,0,1,0,0|2,0,0]=4 3141 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [1,0,0,1,0,0|2,0,0]=4 3142 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [1,0,0,1,0,0|1,0,0]=3 3143 B9R1.95 CC(=O)N1CC(C1)CF 11a_100010363649_100015343762 [1,0,0,1,0,0|2,0,0]=4 3144 B9R1.95 CC(=O)N1CC(C1)CF 240690a_100010363649_100015343762 [1,0,0,1,0,0|2,0,0]=4 3145 B9R1.95 CC(=O)N1CC(C1)CF 527a_100010363649_100103153847 [1,0,0,1,0,0|2,0,0]=4 3146 B9R1.95 CC(=O)N1CC(C1)CO 240690a_100016987283_100015343762 [1,0,0,1,0,0|2,0,0]=4 3147 B9R1.95 CC(=O)N1CC(C1)CO 527a_100016987283_100103153847 [1,0,0,1,0,0|2,0,0]=4 3148 B9R1.95 CC(=O)N1CC(C1)N[13CH3] 2230a_100102955437_200025704644 [1,0,0,1,0,0|2,0,0]=4 3149 B9R1.95 CCC1CN(C1)C(=O)C 11a_100015205115_100015343762 [1,0,0,1,0,0|1,0,0]=3 3150 B9R1.95 CCC1CN(C1)C(=O)C 1626a_100015205115_100015343762 [1,0,0,1,0,0|1,0,0]=3 3151 B9R1.95 CCC1CN(C1)C(=O)C 240690a_100015205115_100015343762 [1,0,0,1,0,0|1,0,0]=3 3152 B9R1.95 CCC1CN(C1)C(=O)C 527a_100015205115_100103153847 [1,0,0,1,0,0|1,0,0]=3 3153 B9R1.95 CCN1CC(C1)C(=O)N 34a_100025753142_100000210202 [1,0,0,1,0,0|2,0,0]=4 3154 B9R1.95 CNC1CN(C1)C(=O)C 2230a_100102955437_200000210301 [1,0,0,1,0,0|2,0,0]=4 3155 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 3156 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [1,0,0,1,0,0|1,0,0]=3 3157 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [1,0,0,1,0,0|1,0,0]=3 3158 B9R1.95 COC1CN(C1)C(=O)C 11a_100000755009_100015343762 [1,0,0,1,0,0|2,0,0]=4 3159 B9R1.95 COC1CN(C1)C(=O)C 1626a_100000755009_100015343762 [1,0,0,1,0,0|2,0,0]=4 3160 B9R1.95 COC1CN(C1)C(=O)C 240690a_100000755009_100015343762 [1,0,0,1,0,0|2,0,0]=4 3161 B9R1.95 COC1CN(C1)C(=O)C 527a_100000755009_100103153847 [1,0,0,1,0,0|2,0,0]=4 3162 B9R1.95 CSC1CN(C1)C(=O)C 11a_100016990038_100015343762 [1,0,0,1,0,0|2,0,0]=4 3163 B9R1.95 CSC1CN(C1)C(=O)C 1626a_100016990038_100015343762 [1,0,0,1,0,0|2,0,0]=4 3164 B9R1.95 CSC1CN(C1)C(=O)C 240690a_100016990038_100015343762 [1,0,0,1,0,0|2,0,0]=4 3165 B9R1.95 CSC1CN(C1)C(=O)C 527a_100016990038_100103153847 [1,0,0,1,0,0|2,0,0]=4 3166 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [1,0,0,1,0,0|1,0,0]=3 3167 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 3168 B9R1.110 CC(=O)C(C)N1CCC1 269982a_100000754969_100009814033 [1,0,0,1,0,0|1,0,0]=3 3169 B9R1.110 CC(=O)N(C)C1CCC1 11a_100000758072_100015343762 [1,0,0,1,0,0|1,0,0]=3 3170 B9R1.110 CC(=O)N(C)C1CCC1 1626a_100000758072_100015343762 [1,0,0,1,0,0|1,0,0]=3 3171 B9R1.110 CC(=O)N(C)C1CCC1 240690a_100000758072_100015343762 [1,0,0,1,0,0|1,0,0]=3 3172 B9R1.110 CC(=O)N(C)C1CCC1 527a_100000758072_100103153847 [1,0,0,1,0,0|1,0,0]=3 3173 B9R1.110 CC(=O)N(C)C1COC1 11a_100102693430_100015343762 [1,0,0,1,0,0|2,0,0]=4 3174 B9R1.110 CC(=O)N(C)C1COC1 1626a_100102693430_100015343762 [1,0,0,1,0,0|2,0,0]=4 3175 B9R1.110 CC(=O)N(C)C1COC1 240690a_100102693430_100015343762 [1,0,0,1,0,0|2,0,0]=4 3176 B9R1.110 CC(=O)N(C)C1COC1 527a_100102693430_100103153847 [1,0,0,1,0,0|2,0,0]=4 3177 B9R1.110 CC(C(=O)N)N1CCC1 269982a_100000754969_100000184083 [1,0,0,1,0,0|2,0,0]=4 3178 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [1,0,0,1,0,0|1,0,0]=3 3179 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [1,0,0,1,0,0|1,0,0]=3 3180 B9R1.112 CC(=O)N(C)CC1CC1 11a_100000741881_100015343762 [1,0,0,1,0,0|1,0,0]=3 3181 B9R1.112 CC(=O)N(C)CC1CC1 1626a_100000741881_100015343762 [1,0,0,1,0,0|1,0,0]=3 3182 B9R1.112 CC(=O)N(C)CC1CC1 240690a_100000741881_100015343762 [1,0,0,1,0,0|1,0,0]=3 3183 B9R1.112 CC(=O)N(C)CC1CC1 527a_100000741881_100103153847 [1,0,0,1,0,0|1,0,0]=3 3184 B9R1.112 CC(CC1CC1)N(C)C 270004a_100102631434_200000686933 [1,0,0,1,0,0|2,0,0]=4 3185 B9R1.112 CC(NC1CC1)C(=O)N 34a_100000212008_100000702099 [1,0,0,1,0,0|2,0,0]=4 3186 B9R1.112 CC(SC1CC1)C(=O)N 62a_100000702099_100000211595 [1,0,0,1,0,0|2,0,0]=4 3187 B9R1.112 C[C@@H](NC1CC1)C(=O)N 34a_100000119354_100000211595 [1,0,0,1,0,0|2,0,0]=4 3188 B9R1.112 C[C@@H](OC1CC1)C(=O)N 34a_100000731257_100000211595 [1,0,0,1,0,0|2,0,0]=4 3189 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [1,0,0,1,0,0|2,0,0]=4 3190 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [1,0,0,1,0,0|0,0,0]=2 3191 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [1,0,0,1,0,0|0,0,0]=2 3192 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [1,0,0,1,0,0|1,0,0]=3 3193 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [1,0,0,1,0,0|0,0,0]=2 3194 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [1,0,0,1,0,0|1,0,0]=3 3195 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [1,0,0,1,0,0|0,0,0]=2 3196 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [1,0,0,1,0,0|2,0,0]=4 3197 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [1,0,0,1,0,0|2,0,0]=4 3198 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [1,0,0,1,0,0|2,0,0]=4 3199 B9R1.1 CN1CCC(CC1)CO 2230a_100000738675_200000210301 [1,0,0,1,0,0|1,0,1]=4 3200 B9R1.1 CN1CCC(CC1)CO 269982a_100000738675_200000210301 [1,0,0,1,0,0|1,0,1]=4 3201 B9R1.1 CN1CCC(CC1)CO 34a_100000738675_200000210301 [1,0,0,1,0,0|1,0,1]=4 3202 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [1,0,0,1,0,0|2,0,0]=4 3203 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [1,0,0,1,0,0|2,0,0]=4 3204 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [1,0,0,1,0,0|2,0,0]=4 3205 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [1,0,0,1,0,0|2,0,0]=4 3206 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [1,0,0,1,0,0|2,0,0]=4 3207 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [1,0,0,1,0,0|2,0,0]=4 3208 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [1,0,0,1,0,0|2,0,0]=4 3209 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [1,0,0,1,0,0|2,0,0]=4 3210 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [1,0,0,1,0,0|2,0,0]=4 3211 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [1,0,0,1,0,0|2,0,0]=4 3212 B9R1.1 [13CH3]N1CCC(CC1)CO 2230a_100000738675_200025704644 [1,0,0,1,0,0|1,0,1]=4 3213 B9R1.1 [13CH3]N1CCC(CC1)CO 269982a_100000738675_200025704644 [1,0,0,1,0,0|1,0,1]=4 3214 B9R1.1 [13CH3]N1CCC(CC1)CO 34a_100000738675_200025704644 [1,0,0,1,0,0|1,0,1]=4 3215 B9R1.12 CCCNC1CCOC1 270004a_100020643023_100000752484 [1,0,0,1,0,0|1,0,1]=4 3216 B9R1.12 CCCN[C@@H]1CCOC1 2230a_200015188469_100000210303 [1,0,0,1,0,0|1,0,1]=4 3217 B9R1.12 CCCN[C@H]1CCOC1 2230a_100015188467_100000210303 [1,0,0,1,0,0|1,0,1]=4 3218 B9R1.12 CCCN[C@H]1CCOC1 34a_100015188467_100000210303 [1,0,0,1,0,0|1,0,1]=4 3219 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [1,0,0,1,0,0|1,0,1]=4 3220 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [1,0,0,1,0,0|1,0,1]=4 3221 B9R1.12 CCCSC1CCOC1 62a_100000210303_100000690089 [1,0,0,1,0,0|1,0,1]=4 3222 B9R1.12 CCNCC1CCOC1 2230a_100000737293_100000210202 [1,0,0,1,0,0|1,0,1]=4 3223 B9R1.12 CCNCC1CCOC1 2230a_100015525214_100000702531 [1,0,0,1,0,0|1,0,1]=4 3224 B9R1.12 CCNCC1CCOC1 34a_100000737293_100000210202 [1,0,0,1,0,0|1,0,1]=4 3225 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [1,0,0,1,0,0|1,0,1]=4 3226 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [1,0,0,1,0,0|1,0,1]=4 3227 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [1,0,0,1,0,0|2,0,0]=4 3228 B9R1.12 CCSCC1CCOC1 62a_100000210202_100000702531 [1,0,0,1,0,0|1,0,1]=4 3229 B9R1.12 CCSCC1CCOC1 62a_100000702531_100000210202 [1,0,0,1,0,0|1,0,1]=4 3230 B9R1.12 COCCC1CCOC1 34a_100011879284_200000210301 [1,0,0,1,0,0|1,0,1]=4 3231 B9R1.12 [13CH3]OCCC1CCOC1 34a_100011879284_200025704644 [1,0,0,1,0,0|1,0,1]=4 3232 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [1,0,0,1,0,0|2,0,0]=4 3233 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [1,0,0,1,0,0|2,0,0]=4 3234 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [1,0,0,1,0,0|2,0,0]=4 3235 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [1,0,0,1,0,0|2,0,0]=4 3236 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [1,0,0,1,0,0|2,0,0]=4 3237 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [1,0,0,1,0,0|2,0,0]=4 3238 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [1,0,0,1,0,0|2,0,0]=4 3239 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [1,0,0,1,0,0|2,0,0]=4 3240 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [1,0,0,1,0,0|2,0,0]=4 3241 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [1,0,0,1,0,0|2,0,0]=4 3242 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [1,0,0,1,0,0|1,0,0]=3 3243 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [1,0,0,1,0,0|1,0,0]=3 3244 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [1,0,0,1,0,0|1,0,0]=3 3245 B9R1.15 CN1CCOC[C@H]1CO 2230a_100000717676_200000210301 [1,0,0,1,0,0|2,0,0]=4 3246 B9R1.15 CN1CCOC[C@H]1CO 269982a_100000717676_200000210301 [1,0,0,1,0,0|2,0,0]=4 3247 B9R1.15 CN1CCOC[C@H]1CO 34a_100000717676_200000210301 [1,0,0,1,0,0|2,0,0]=4 3248 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,0,0,1,0,0|2,0,0]=4 3249 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,0,0,1,0,0|2,0,0]=4 3250 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [1,0,0,1,0,0|2,0,0]=4 3251 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [1,0,0,1,0,0|2,0,0]=4 3252 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [1,0,0,1,0,0|2,0,0]=4 3253 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [1,0,0,1,0,0|2,0,0]=4 3254 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [1,0,0,1,0,0|2,0,0]=4 3255 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,0,0,1,0,0|1,0,0]=3 3256 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [1,0,0,1,0,0|2,0,0]=4 3257 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [1,0,0,1,0,0|2,0,0]=4 3258 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [1,0,0,1,0,0|2,0,0]=4 3259 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [1,0,0,1,0,0|2,0,0]=4 3260 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,0,0,1,0,0|2,0,0]=4 3261 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,0,0,1,0,0|2,0,0]=4 3262 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [1,0,0,1,0,0|2,0,0]=4 3263 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [1,0,0,1,0,0|2,0,0]=4 3264 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [1,0,0,1,0,0|2,0,0]=4 3265 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [1,0,0,1,0,0|2,0,0]=4 3266 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [1,0,0,1,0,0|2,0,0]=4 3267 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [1,0,0,1,0,0|1,0,0]=3 3268 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [1,0,0,1,0,0|2,0,0]=4 3269 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [1,0,0,1,0,0|2,0,0]=4 3270 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [1,0,0,1,0,0|2,0,0]=4 3271 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,0,0,1,0,0|2,0,0]=4 3272 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,0,0,1,0,0|2,0,0]=4 3273 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [1,0,0,1,0,0|2,0,0]=4 3274 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [1,0,0,1,0,0|2,0,0]=4 3275 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [1,0,0,1,0,0|1,0,0]=3 3276 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [1,0,0,1,0,0|1,0,0]=3 3277 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [1,0,0,1,0,0|1,0,0]=3 3278 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [1,0,0,1,0,0|1,0,0]=3 3279 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [1,0,0,1,0,0|1,0,0]=3 3280 B9R1.15 [13CH3]N1CCOC[C@H]1CO 2230a_100000717676_200025704644 [1,0,0,1,0,0|2,0,0]=4 3281 B9R1.15 [13CH3]N1CCOC[C@H]1CO 269982a_100000717676_200025704644 [1,0,0,1,0,0|2,0,0]=4 3282 B9R1.15 [13CH3]N1CCOC[C@H]1CO 34a_100000717676_200025704644 [1,0,0,1,0,0|2,0,0]=4 3283 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [1,0,0,1,0,0|2,0,0]=4 3284 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [1,0,0,1,0,0|2,0,0]=4 3285 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [1,0,0,1,0,0|2,0,0]=4 3286 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [1,0,0,1,0,0|2,0,0]=4 3287 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,0,0,1,0,0|2,0,0]=4 3288 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [1,0,0,1,0,0|2,0,0]=4 3289 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [1,0,0,1,0,0|2,0,0]=4 3290 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [1,0,0,1,0,0|2,0,0]=4 3291 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [1,0,0,1,0,0|2,0,0]=4 3292 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [1,0,0,1,0,0|2,0,0]=4 3293 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,0,0,1,0,0|2,0,0]=4 3294 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,0,0,1,0,0|2,0,0]=4 3295 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [1,0,0,1,0,0|2,0,0]=4 3296 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [1,0,0,1,0,0|2,0,0]=4 3297 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [1,0,0,1,0,0|1,0,0]=3 3298 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [1,0,0,1,0,0|1,0,0]=3 3299 B9R1.21 CCC1CCC(C1)NC 270004a_106832991635_100011218773 [1,0,0,1,0,0|2,0,0]=4 3300 B9R1.21 CCN1CCC(C1)CO 2230a_100000748654_100000210202 [1,0,0,1,0,0|1,0,1]=4 3301 B9R1.21 CCN1CCC(C1)CO 269982a_100000748654_100000204670 [1,0,0,1,0,0|1,0,1]=4 3302 B9R1.21 CCN1CCC(C1)CO 34a_100000748654_100000210202 [1,0,0,1,0,0|1,0,1]=4 3303 B9R1.21 CN[C@H]1C=C[C@H](C1)CO 2230a_100020646542_200000210301 [1,0,0,1,0,0|1,0,1]=4 3304 B9R1.21 CN[C@H]1C=C[C@H](C1)CO 34a_100020646542_200000210301 [1,0,0,1,0,0|1,0,1]=4 3305 B9R1.21 [13CH3]N[C@H]1C=C[C@H](C1)CO 2230a_100020646542_200025704644 [1,0,0,1,0,0|1,0,1]=4 3306 B9R1.21 [13CH3]N[C@H]1C=C[C@H](C1)CO 34a_100020646542_200025704644 [1,0,0,1,0,0|1,0,1]=4 3307 B9R1.70 CN[C@H](CO)C1COC1 2230a_217856628679_200000210301 [1,0,0,1,0,0|2,0,0]=4 3308 B9R1.70 CN[C@H](CO)C1COC1 34a_217856628679_200000210301 [1,0,0,1,0,0|2,0,0]=4 3309 B9R1.70 [13CH3]N[C@H](CO)C1COC1 2230a_217856628679_200025704644 [1,0,0,1,0,0|2,0,0]=4 3310 B9R1.70 [13CH3]N[C@H](CO)C1COC1 34a_217856628679_200025704644 [1,0,0,1,0,0|2,0,0]=4 3311 B9R1.72 C=C[C@@H](CO)NC1CC1 34a_100016989147_100000211595 [1,0,0,1,0,0|1,0,1]=4 3312 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [1,0,0,1,0,0|2,0,0]=4 3313 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [1,0,0,1,0,0|2,0,0]=4 3314 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [1,0,0,1,0,0|2,0,0]=4 3315 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [1,0,0,1,0,0|2,0,0]=4 3316 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [1,0,0,1,0,0|2,0,0]=4 3317 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [1,0,0,1,0,0|2,0,0]=4 3318 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [1,0,0,1,0,0|2,0,0]=4 3319 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [1,0,0,1,0,0|2,0,0]=4 3320 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [1,0,0,1,0,0|2,0,0]=4 3321 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [1,0,0,1,0,0|2,0,0]=4 3322 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [1,0,0,1,0,0|2,0,0]=4 3323 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [1,0,0,1,0,0|2,0,0]=4 3324 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [1,0,0,1,0,0|2,0,0]=4 3325 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [1,0,0,1,0,0|2,0,0]=4 3326 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [1,0,0,1,0,0|2,0,0]=4 3327 B9R1.193 CCNCC1(CC1)CO 2230a_100000757901_100000210202 [1,0,0,1,0,0|1,0,1]=4 3328 B9R1.193 CCOCC1(CO1)CC 34a_100121572206_200000139556 [1,0,0,1,0,0|1,0,1]=4 3329 B9R1.193 CCSCC1(CO1)CC 62a_100000210202_200000139556 [1,0,0,1,0,0|1,0,1]=4 3330 B9R1.193 CCSCC1(CO1)CC 62a_200000139556_100000210202 [1,0,0,1,0,0|1,0,1]=4 3331 B9R1.204 CCC1(CCCC1)NC 2230a_100015183760_200000210301 [1,0,0,1,0,0|2,0,0]=4 3332 B9R1.204 CCC1(CCCC1)N[13CH3] 2230a_100015183760_200025704644 [1,0,0,1,0,0|2,0,0]=4 3333 B9R1.204 CCC1(CCCC1)OC 7a_100000752416_200000210301 [1,0,0,1,0,0|2,0,0]=4 3334 B9R1.204 CCC1(CCCC1)O[13CH3] 7a_100000752416_200025704644 [1,0,0,1,0,0|2,0,0]=4 3335 B9R1.204 CNC1(CCCC1)CO 2230a_100000749328_200000210301 [1,0,0,1,0,0|1,0,0]=3 3336 B9R1.204 CNC1(CCCC1)CO 34a_100000749328_200000210301 [1,0,0,1,0,0|1,0,0]=3 3337 B9R1.204 COC1(CCCC1)CN 34a_100000737848_200000210301 [1,0,0,1,0,0|2,0,0]=4 3338 B9R1.204 [13CH3]NC1(CCCC1)CO 2230a_100000749328_200025704644 [1,0,0,1,0,0|1,0,0]=3 3339 B9R1.204 [13CH3]NC1(CCCC1)CO 34a_100000749328_200025704644 [1,0,0,1,0,0|1,0,0]=3 3340 B9R1.204 [13CH3]OC1(CCCC1)CN 34a_100000737848_200025704644 [1,0,0,1,0,0|2,0,0]=4 3341 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [1,0,0,1,0,0|2,0,0]=4 3342 B9R1.33 CCN[C@@H]1CONC1=O 2230a_100000765999_100000210202 [1,0,0,1,0,0|2,0,0]=4 3343 B9R1.33 CCN[C@@H]1CONC1=O 34a_100000765999_100000210202 [1,0,0,1,0,0|2,0,0]=4 3344 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [1,0,0,1,0,0|2,0,0]=4 3345 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [1,0,0,1,0,0|2,0,0]=4 3346 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [1,0,0,1,0,0|2,0,0]=4 3347 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [1,0,0,1,0,0|2,0,0]=4 3348 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [1,0,0,1,0,0|0,0,2]=4 3349 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|1,0,0]=3 3350 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [1,0,0,1,0,0|2,0,0]=4 3351 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [1,0,0,1,0,0|2,0,0]=4 3352 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [1,0,0,1,0,0|2,0,0]=4 3353 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [1,0,0,1,0,0|2,0,0]=4 3354 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [1,0,0,1,0,0|2,0,0]=4 3355 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [1,0,0,1,0,0|2,0,0]=4 3356 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|1,0,0]=3 3357 B9R1.41 CN(C)[C@@H]1CCC[C@H]1O 269982a_100102631434_200016002552 [1,0,0,1,0,0|2,0,0]=4 3358 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [1,0,0,1,0,0|2,0,0]=4 3359 B9R1.116 CCN(C(=O)C)C1CC1 11a_100000738653_100015343762 [1,0,0,1,0,0|2,0,0]=4 3360 B9R1.116 CCN(C(=O)C)C1CC1 1626a_100000738653_100015343762 [1,0,0,1,0,0|2,0,0]=4 3361 B9R1.116 CCN(C(=O)C)C1CC1 240690a_100000738653_100015343762 [1,0,0,1,0,0|2,0,0]=4 3362 B9R1.116 CCN(C(=O)C)C1CC1 527a_100000738653_100103153847 [1,0,0,1,0,0|2,0,0]=4 3363 B9R1.119 CC(=O)C1(CCC1)C#N 1458a_100000752263_200000210301 [1,0,0,1,0,0|1,0,1]=4 3364 B9R1.119 CCC1(CCC1)C(=O)C 1458a_100000685558_200000210301 [1,0,0,1,0,0|1,0,0]=3 3365 B9R1.119 CCC1(CCC1)C(=O)[13CH3] 1458a_100000685558_200025704644 [1,0,0,1,0,0|1,0,0]=3 3366 B9R1.119 CCC1(COC1)C(=O)C 1458a_100000139254_200000210301 [1,0,0,1,0,0|2,0,0]=4 3367 B9R1.119 CCC1(COC1)C(=O)[13CH3] 1458a_100000139254_200025704644 [1,0,0,1,0,0|2,0,0]=4 3368 B9R1.119 [13CH3]C(=O)C1(CCC1)C#N 1458a_100000752263_200025704644 [1,0,0,1,0,0|1,0,1]=4 3369 B9R1.179 CCOC1(CC1)C(=O)C 1458a_100011094191_200000210301 [1,0,0,1,0,0|2,0,0]=4 3370 B9R1.179 CCOC1(CC1)C(=O)[13CH3] 1458a_100011094191_200025704644 [1,0,0,1,0,0|2,0,0]=4 3371 B9R1.179 CCSC1(CC1)C(=O)C 62a_100000086384_100000210202 [1,0,0,1,0,0|2,0,0]=4 3372 B9R1.179 CCSC1(CC1)C(=O)C 62a_100000210202_100000086384 [1,0,0,1,0,0|2,0,0]=4 3373 B11R1.20 CC(=O)C=C1CCC(CC1)C 1458a_100000756110_200000210301 [0,0,0,1,0,1|1,0,1]=4 3374 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [0,0,0,1,0,1|1,0,0]=3 3375 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [0,0,0,1,0,1|2,0,0]=4 3376 B11R1.20 CC(=O)CC1CCN(CC1)C 1458a_100000700355_200000210301 [0,0,0,1,0,1|2,0,0]=4 3377 B11R1.20 CC(=O)CN1CCC(CC1)C 1458a_100000238061_200000210301 [0,0,0,1,0,1|2,0,0]=4 3378 B11R1.20 CC(=O)NC1CCN(CC1)C 11a_100000198570_100015343762 [0,0,0,1,0,1|2,0,0]=4 3379 B11R1.20 CC(=O)NC1CCN(CC1)C 2230a_100000747453_200000210301 [0,0,0,1,0,1|2,0,0]=4 3380 B11R1.20 CC(=O)NC1CCN(CC1)C 240690a_100000198570_100015343762 [0,0,0,1,0,1|2,0,0]=4 3381 B11R1.20 CC(=O)NC1CCN(CC1)C 269982a_100000747453_200000210301 [0,0,0,1,0,1|2,0,0]=4 3382 B11R1.20 CC(=O)NC1CCN(CC1)C 527a_100000198570_100103153847 [0,0,0,1,0,1|2,0,0]=4 3383 B11R1.20 CC(=O)NC1CCN(CC1)[13CH3] 2230a_100000747453_200025704644 [0,0,0,1,0,1|2,0,0]=4 3384 B11R1.20 CC(=O)NC1CCN(CC1)[13CH3] 269982a_100000747453_200025704644 [0,0,0,1,0,1|2,0,0]=4 3385 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100015343762 [0,0,0,1,0,1|1,0,0]=3 3386 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100015343762 [0,0,0,1,0,1|1,0,0]=3 3387 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100103153847 [0,0,0,1,0,1|1,0,0]=3 3388 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100015343762 [0,0,0,1,0,1|2,0,0]=4 3389 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100015343762 [0,0,0,1,0,1|2,0,0]=4 3390 B11R1.20 CC1CCC(=CC(=O)[13CH3])CC1 1458a_100000756110_200025704644 [0,0,0,1,0,1|1,0,1]=4 3391 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [0,0,0,1,0,1|1,0,0]=3 3392 B11R1.20 CC1CCN(CC1)CC(=O)[13CH3] 1458a_100000238061_200025704644 [0,0,0,1,0,1|2,0,0]=4 3393 B11R1.20 CN1CCC(CC1)CC(=O)[13CH3] 1458a_100000700355_200025704644 [0,0,0,1,0,1|2,0,0]=4 3394 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [0,0,0,1,0,1|2,0,0]=4 3395 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,0,0,1,0,1|2,0,0]=4 3396 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [0,0,0,1,0,1|2,0,0]=4 3397 B11R1.24 CCOCC1COCC(=O)N1 34a_200000101122_100000210202 [0,0,0,1,0,1|1,0,0]=3 3398 B11R1.24 O=C1COCC(N1)COCF 34a_200000101122_100015361967 [0,0,0,1,0,1|2,0,0]=4 3399 B11R1.43 CCN1CCC(C1)CC(=O)C 1458a_100000070787_100015184589 [0,0,0,1,0,1|2,0,0]=4 3400 B11R1.43 CCN1CCC(C1)NC(=O)C 11a_100015188829_100015343762 [0,0,0,1,0,1|2,0,0]=4 3401 B11R1.43 CCN1CCC(C1)NC(=O)C 1626a_100015188829_100015343762 [0,0,0,1,0,1|2,0,0]=4 3402 B11R1.43 CCN1CCC(C1)NC(=O)C 240690a_100015188829_100015343762 [0,0,0,1,0,1|2,0,0]=4 3403 B11R1.43 CCN1CCC(C1)NC(=O)C 527a_100015188829_100103153847 [0,0,0,1,0,1|2,0,0]=4 3404 B11R1.43 CCN1CC[C@@H](C1)NC(=O)C 2230a_100016989438_100000210202 [0,0,0,1,0,1|2,0,0]=4 3405 B11R1.43 CCN1CC[C@@H](C1)NC(=O)C 269982a_100016989438_100000204670 [0,0,0,1,0,1|2,0,0]=4 3406 B11R1.53 C#CC1CCCCN1C(=O)C 11a_200020621307_100015343762 [0,0,0,1,0,1|1,0,1]=4 3407 B11R1.53 C#CC1CCCCN1C(=O)C 1626a_200020621307_100015343762 [0,0,0,1,0,1|1,0,1]=4 3408 B11R1.53 C#CC1CCCCN1C(=O)C 240690a_200020621307_100015343762 [0,0,0,1,0,1|1,0,1]=4 3409 B11R1.53 C#CC1CCCCN1C(=O)C 527a_200020621307_100103153847 [0,0,0,1,0,1|1,0,1]=4 3410 B11R1.53 CC(=O)N1CCCCC1C#N 11a_100016989756_100015343762 [0,0,0,1,0,1|1,0,1]=4 3411 B11R1.53 CC(=O)N1CCCCC1C#N 1626a_100016989756_100015343762 [0,0,0,1,0,1|1,0,1]=4 3412 B11R1.53 CC(=O)N1CCCCC1C#N 240690a_100016989756_100015343762 [0,0,0,1,0,1|1,0,1]=4 3413 B11R1.53 CC(=O)N1CCCCC1CO 240690a_100000210821_100015343762 [0,0,0,1,0,1|0,0,0]=2 3414 B11R1.53 CC(=O)N1CCOC[C@H]1CO 240690a_100000717676_100015343762 [0,0,0,1,0,1|1,0,0]=3 3415 B11R1.53 CC(C)N1CCCCC1CO 2230a_100000210821_100000210206 [0,0,0,1,0,1|1,0,1]=4 3416 B11R1.53 CC(C)N1CCCCC1CO 269982a_100000210821_100000210206 [0,0,0,1,0,1|1,0,1]=4 3417 B11R1.53 CC(C)N1CCCCC1CO 34a_100000210821_100000210206 [0,0,0,1,0,1|1,0,1]=4 3418 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,0,0,1,0,1|1,0,0]=3 3419 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,0,0,1,0,1|1,0,0]=3 3420 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,0,0,1,0,1|1,0,0]=3 3421 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,0,0,1,0,1|1,0,0]=3 3422 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,0,0,1,0,1|2,0,0]=4 3423 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,0,0,1,0,1|2,0,0]=4 3424 B11R1.53 CC[C@H]1COCCN1C(=O)C 11a_100016988097_100015343762 [0,0,0,1,0,1|2,0,0]=4 3425 B11R1.53 CC[C@H]1COCCN1C(=O)C 1626a_100016988097_100015343762 [0,0,0,1,0,1|2,0,0]=4 3426 B11R1.53 CC[C@H]1COCCN1C(=O)C 240690a_100016988097_100015343762 [0,0,0,1,0,1|2,0,0]=4 3427 B11R1.53 CC[C@H]1COCCN1C(=O)C 527a_100016988097_100103153847 [0,0,0,1,0,1|2,0,0]=4 3428 B11R1.53 CN(C)C1CCCCC1CO 270004a_100102631434_100009861125 [0,0,0,1,0,1|2,0,0]=4 3429 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [0,0,0,1,0,1|2,0,0]=4 3430 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,0,0,1,0,1|1,0,0]=3 3431 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,0,0,1,0,1|1,0,0]=3 3432 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,0,0,1,0,1|1,0,0]=3 3433 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,0,0,1,0,1|1,0,0]=3 3434 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,0,0,1,0,1|0,0,0]=2 3435 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,0,0,1,0,1|0,0,0]=2 3436 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [0,0,0,1,0,1|1,0,0]=3 3437 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [0,0,0,1,0,1|1,0,0]=3 3438 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [0,0,0,1,0,1|1,0,0]=3 3439 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [0,0,0,1,0,1|1,0,0]=3 3440 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 11a_100016994285_100015343762 [0,0,0,1,0,1|1,0,0]=3 3441 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 240690a_100016994285_100015343762 [0,0,0,1,0,1|1,0,0]=3 3442 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 527a_100016994285_100103153847 [0,0,0,1,0,1|1,0,0]=3 3443 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 11a_100016994078_100015343762 [0,0,0,1,0,1|2,0,0]=4 3444 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 1626a_100016994078_100015343762 [0,0,0,1,0,1|2,0,0]=4 3445 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 240690a_100016994078_100015343762 [0,0,0,1,0,1|2,0,0]=4 3446 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 527a_100016994078_100103153847 [0,0,0,1,0,1|2,0,0]=4 3447 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 11a_100015739063_100015343762 [0,0,0,1,0,1|1,0,0]=3 3448 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 240690a_100015739063_100015343762 [0,0,0,1,0,1|1,0,0]=3 3449 B11R1.86 CC(C)NC1CCCCC1O 34a_100138425928_100000038908 [0,0,0,1,0,1|1,0,1]=4 3450 B11R1.86 CC(C)OC1CCCCC1O 34a_100000212225_100000038908 [0,0,0,1,0,1|1,0,1]=4 3451 B11R1.86 CC(C)SC1CCCCC1O 62a_100000038908_100000210206 [0,0,0,1,0,1|1,0,1]=4 3452 B11R1.86 CC(C)SC1CCCCC1O 62a_100000210206_100000038908 [0,0,0,1,0,1|1,0,1]=4 3453 B11R1.319 CCCC[C@@H](CO)NC1CC1 34a_100011934283_100000211595 [0,0,0,1,0,1|1,0,1]=4 3454 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [0,0,0,1,0,1|1,0,1]=4 3455 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,0,0,1,0,1|1,0,0]=3 3456 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,0,0,1,0,1|1,0,0]=3 3457 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,0,0,1,0,1|2,0,0]=4 3458 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,0,0,1,0,1|1,0,0]=3 3459 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,0,0,1,0,1|1,0,0]=3 3460 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,0,0,1,0,1|1,0,0]=3 3461 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,0,0,1,0,1|1,0,0]=3 3462 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [0,0,0,1,0,1|1,0,1]=4 3463 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,0,0,1,0,1|1,0,0]=3 3464 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,0,0,1,0,1|2,0,0]=4 3465 B11R1.751 CC(=O)N[C@H](CO)C1COC1 240690a_217856628679_100015343762 [0,0,0,1,0,1|1,0,0]=3 3466 B11R1.751 CC(=O)N[C@H](CO)C1COC1 527a_217856628679_100103153847 [0,0,0,1,0,1|1,0,0]=3 3467 B11R1.751 O=C([O-])CN(CO)C1CCC1 269956a_100016989150_100000749161 [0,0,0,1,0,1|2,0,0]=4 3468 B11R1.918 COCCC1(CC1)NC(=O)C 11a_100020603293_100015343762 [0,0,0,1,0,1|2,0,0]=4 3469 B11R1.918 COCCC1(CC1)NC(=O)C 1626a_100020603293_100015343762 [0,0,0,1,0,1|2,0,0]=4 3470 B11R1.918 COCCC1(CC1)NC(=O)C 240690a_100020603293_100015343762 [0,0,0,1,0,1|2,0,0]=4 3471 B11R1.918 COCCC1(CC1)NC(=O)C 527a_100020603293_100103153847 [0,0,0,1,0,1|2,0,0]=4 3472 B11R1.1032 O=C(O)C[C@@H](CO)NC1CC1 269956a_100009816507_100000211595 [0,0,0,1,0,1|2,0,0]=4 3473 B11R1.1032 O=C([O-])CN(CO)CC1CC1 269956a_100016989150_100000742324 [0,0,0,1,0,1|2,0,0]=4 3474 B11R1.1062 CC(=O)NC1(CCCC1)C#N 11a_100000738132_100015343762 [0,0,0,1,0,1|1,0,1]=4 3475 B11R1.1062 CC(=O)NC1(CCCC1)C#N 1626a_100000738132_100015343762 [0,0,0,1,0,1|1,0,1]=4 3476 B11R1.1062 CC(=O)NC1(CCCC1)C#N 240690a_100000738132_100015343762 [0,0,0,1,0,1|1,0,1]=4 3477 B11R1.1062 CC(=O)NC1(CCCC1)C#N 527a_100000738132_100103153847 [0,0,0,1,0,1|1,0,1]=4 3478 B11R1.1062 CC(=O)NC1(CCCC1)CO 240690a_100000749328_100015343762 [0,0,0,1,0,1|0,0,0]=2 3479 B11R1.1062 CC(=O)NC1(CCCC1)CO 527a_100000749328_100103153847 [0,0,0,1,0,1|0,0,0]=2 3480 B11R1.1062 CC(C)NC1(CCCC1)CO 2230a_100000749328_100000210206 [0,0,0,1,0,1|1,0,1]=4 3481 B11R1.1062 CC(C)NC1(CCCC1)CO 34a_100000749328_100000210206 [0,0,0,1,0,1|1,0,1]=4 3482 B11R1.1062 CCC1(CCCC1)NC(=O)C 11a_100015183760_100015343762 [0,0,0,1,0,1|1,0,0]=3 3483 B11R1.1062 CCC1(CCCC1)NC(=O)C 1626a_100015183760_100015343762 [0,0,0,1,0,1|1,0,0]=3 3484 B11R1.1062 CCC1(CCCC1)NC(=O)C 240690a_100015183760_100015343762 [0,0,0,1,0,1|1,0,0]=3 3485 B11R1.1062 CCC1(CCCC1)NC(=O)C 527a_100015183760_100103153847 [0,0,0,1,0,1|1,0,0]=3 3486 B11R1.1062 CN(C)CC1(CCCC1)CO 2230a_100011935018_200000210301 [0,0,0,1,0,1|2,0,0]=4 3487 B11R1.1062 CN(C)CC1(CCCC1)CO 269982a_100011935018_200000210301 [0,0,0,1,0,1|2,0,0]=4 3488 B11R1.1062 CN([13CH3])CC1(CCCC1)CO 2230a_100011935018_200025704644 [0,0,0,1,0,1|2,0,0]=4 3489 B11R1.1062 CN([13CH3])CC1(CCCC1)CO 269982a_100011935018_200025704644 [0,0,0,1,0,1|2,0,0]=4 3490 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,1,0,1,0,0|0,0,2]=4 3491 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,1,0,1,0,0|2,0,0]=4 3492 B11R1.143 CC(=O)C1CCCCNC1=O 1458a_100000070787_100000735217 [0,1,0,1,0,0|0,0,2]=4 3493 B11R1.143 CN(C)C1CCCCCC1=O 269982a_100102631434_100000243696 [0,1,0,1,0,0|2,0,0]=4 3494 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,1,0,1,0,0|2,0,0]=4 3495 B11R1.315 CC(=O)N1CCC(C1(C)C)C 11a_102516457003_100015343762 [0,1,0,1,0,0|2,0,0]=4 3496 B11R1.315 CC(=O)N1CCC(C1(C)C)C 1626a_102516457003_100015343762 [0,1,0,1,0,0|2,0,0]=4 3497 B11R1.315 CC(=O)N1CCC(C1(C)C)C 240690a_102516457003_100015343762 [0,1,0,1,0,0|2,0,0]=4 3498 B11R1.315 CC(=O)N1CCC(C1(C)C)C 527a_102516457003_100103153847 [0,1,0,1,0,0|2,0,0]=4 3499 B11R1.465 CCCOC1C(=O)COC1=O 34a_100000210258_100000032967 [0,1,0,1,0,0|1,0,1]=4 3500 B11R1.465 CCCSC1C(=O)COC1=O 62a_100000210303_100000032967 [0,1,0,1,0,0|1,0,1]=4 3501 B11R1.1381 CC(=O)N(CC1CC1)C(C)C 11a_100000738798_100015343762 [0,1,0,1,0,0|2,0,0]=4 3502 B11R1.1381 CC(=O)N(CC1CC1)C(C)C 1626a_100000738798_100015343762 [0,1,0,1,0,0|2,0,0]=4 3503 B11R1.1381 CC(=O)N(CC1CC1)C(C)C 240690a_100000738798_100015343762 [0,1,0,1,0,0|2,0,0]=4 3504 B11R1.1381 CC(=O)N(CC1CC1)C(C)C 527a_100000738798_100103153847 [0,1,0,1,0,0|2,0,0]=4 3505 B11R1.1381 CC(O)C(NC1CC1)C(=O)O 269956a_100000185852_100000211595 [0,1,0,1,0,0|2,0,0]=4 3506 B11R1.21 CC(=O)C1CCN(C(=O)C1)C 1458a_100000043916_200000210301 [0,1,0,1,0,0|1,0,1]=4 3507 B11R1.21 CC(=O)N1CCC(C(C1)O)C 11a_100000696640_100015343762 [0,1,0,1,0,0|1,0,0]=3 3508 B11R1.21 CC(=O)N1CCC(C(C1)O)C 240690a_100000696640_100015343762 [0,1,0,1,0,0|1,0,0]=3 3509 B11R1.21 CC(=O)N1CCC(C(C1)O)C 527a_100000696640_100103153847 [0,1,0,1,0,0|1,0,0]=3 3510 B11R1.21 CC(=O)N1CC[C@H]([C@H](C1)O)O 11a_100000690696_100015343762 [0,1,0,1,0,0|2,0,0]=4 3511 B11R1.21 CC(=O)N1CC[C@H]([C@H](C1)O)O 240690a_100000690696_100015343762 [0,1,0,1,0,0|2,0,0]=4 3512 B11R1.21 CC(=O)N1CC[C@H]([C@H](C1)O)O 527a_100000690696_100103153847 [0,1,0,1,0,0|2,0,0]=4 3513 B11R1.21 CN1CCC(CC1=O)C(=O)[13CH3] 1458a_100000043916_200025704644 [0,1,0,1,0,0|1,0,1]=4 3514 B11R1.228 CCC(C)NC1CCCC1=O 2230a_100000209981_100000211823 [0,1,0,1,0,0|2,0,0]=4 3515 B11R1.228 CCC(C)N[C@@H]1CONC1=O 2230a_100000765999_100000758301 [0,1,0,1,0,0|2,0,0]=4 3516 B11R1.228 CCC(C)N[C@@H]1CONC1=O 34a_100000765999_100011215416 [0,1,0,1,0,0|2,0,0]=4 3517 B11R1.228 CCC(C)OC1CCCC1=O 34a_200000719330_100011215416 [0,1,0,1,0,0|2,0,0]=4 3518 B11R1.228 CCC(C)OC1CCCC1=O 7a_100000210228_100000211823 [0,1,0,1,0,0|2,0,0]=4 3519 B11R1.228 CCC(C)SC1CCCC1=O 62a_100000211823_100000758301 [0,1,0,1,0,0|2,0,0]=4 3520 B11R1.228 CCC(C)SC1CCCC1=O 62a_100000758301_100000211823 [0,1,0,1,0,0|2,0,0]=4 3521 B11R1.266 CC(=O)N1CCO[C@@H](C1)CO 240690a_100015189573_100015343762 [0,1,0,1,0,0|2,0,0]=4 3522 B11R1.266 CC(=O)N1CCO[C@@H](C1)CO 527a_100015189573_100103153847 [0,1,0,1,0,0|2,0,0]=4 3523 B11R1.266 CCC1CN(CCO1)C(=O)C 11a_100000736320_100015343762 [0,1,0,1,0,0|1,0,0]=3 3524 B11R1.266 CCC1CN(CCO1)C(=O)C 1626a_100000736320_100015343762 [0,1,0,1,0,0|1,0,0]=3 3525 B11R1.266 CCC1CN(CCO1)C(=O)C 240690a_100000736320_100015343762 [0,1,0,1,0,0|1,0,0]=3 3526 B11R1.266 CCC1CN(CCO1)C(=O)C 527a_100000736320_100103153847 [0,1,0,1,0,0|1,0,0]=3 3527 B11R1.266 CCN1CCCC(C1)C(=O)C 1458a_100000743261_200000210301 [0,1,0,1,0,0|2,0,0]=4 3528 B11R1.266 CCN1CCCC(C1)C(=O)[13CH3] 1458a_100000743261_200025704644 [0,1,0,1,0,0|2,0,0]=4 3529 B11R1.266 COC1CCCC(C1)C(=O)C 1458a_100011215561_200000210301 [0,1,0,1,0,0|2,0,0]=4 3530 B11R1.266 COC1CCCC(C1)C(=O)[13CH3] 1458a_100011215561_200025704644 [0,1,0,1,0,0|2,0,0]=4 3531 B11R1.378 CCC(C(=O)N)N1CCC1C 269982a_100000755817_100000750255 [0,1,0,1,0,0|2,0,0]=4 3532 B11R1.378 CCC(C(=O)N)N1CCC1C 34a_100000755817_100000750255 [0,1,0,1,0,0|2,0,0]=4 3533 B11R1.497 CC(=O)N1CCCCC(C1)O 240690a_100025706797_100015343762 [0,1,0,1,0,0|1,0,0]=3 3534 B11R1.497 CC(=O)N1CCOC[C@@H](C1)O 11a_100016073750_100015343762 [0,1,0,1,0,0|2,0,0]=4 3535 B11R1.497 CC(=O)N1CCOC[C@@H](C1)O 240690a_100016073750_100015343762 [0,1,0,1,0,0|2,0,0]=4 3536 B11R1.1016 CC(C)[C@H](CO)NC1CCC1 270004a_100011830312_100000241760 [0,1,0,1,0,0|1,0,1]=4 3537 B11R1.1016 CC(C)[C@H](CO)NC1CCC1 34a_100011830312_100000749161 [0,1,0,1,0,0|1,0,1]=4 3538 B11R1.1016 CCC(NC1CCC1)C(=O)N 2230a_100000749019_100000750255 [0,1,0,1,0,0|2,0,0]=4 3539 B11R1.1016 CCC(NC1CCC1)C(=O)N 34a_100000733705_100000749161 [0,1,0,1,0,0|2,0,0]=4 3540 B11R1.1016 CCC(NC1CCC1)C(=O)N 34a_100000749019_100000750255 [0,1,0,1,0,0|2,0,0]=4 3541 B11R1.1016 CCC(OC1CCC1)C(=O)N 34a_100000748187_100000750255 [0,1,0,1,0,0|2,0,0]=4 3542 B11R1.1016 CCC(SC1CCC1)C(=O)N 62a_100000750255_100000749161 [0,1,0,1,0,0|2,0,0]=4 3543 B11R1.1016 CC[C@@H](NC1CCC1)C(=O)O 269956a_100000747097_100000749161 [0,1,0,1,0,0|2,0,0]=4 3544 B11R1.1016 C[C@@H](O)[C@@H](CO)NC1CCC1 34a_100015196842_100000749161 [0,1,0,1,0,0|0,0,2]=4 3545 B11R1.1016 NC(=O)[C@H](CO)NC1CCC1 270004a_100000729942_100000241760 [0,1,0,1,0,0|1,0,0]=3 3546 B11R1.1016 NC(=O)[C@H](CO)NC1CCC1 34a_100000729942_100000749161 [0,1,0,1,0,0|1,0,0]=3 3547 B11R1.1016 NC(=O)[C@H](CO)NC1COC1 34a_100000729942_100009818527 [0,1,0,1,0,0|2,0,0]=4 3548 B11R1.1016 O=C(O)C(CO)NC1CCC1 269956a_100000187304_100000749161 [0,1,0,1,0,0|1,0,0]=3 3549 B11R1.1016 O=C(O)C(CO)NC1COC1 269956a_100000187304_100009818527 [0,1,0,1,0,0|2,0,0]=4 3550 B11R1.1493 CCC(C)SC1(CC1)C(=O)C 62a_100000086384_100000758301 [0,1,0,1,0,0|2,0,0]=4 3551 B11R1.1493 CCC(C)SC1(CC1)C(=O)C 62a_100000758301_100000086384 [0,1,0,1,0,0|2,0,0]=4 3552 B11R1.48 CCN1CC(CC1=O)C(=O)C 1458a_100000215766_200000210301 [0,1,0,1,0,0|1,0,1]=4 3553 B11R1.48 CCN1CC(CC1=O)C(=O)[13CH3] 1458a_100000215766_200025704644 [0,1,0,1,0,0|1,0,1]=4 3554 B11R1.90 CC(Br)COC1CCCC1=O 34a_100012180447_100000709159 [0,1,0,1,0,0|2,0,0]=4 3555 B11R1.90 CC(C)CNC1CCCC1=O 2230a_100000210953_100000211823 [0,1,0,1,0,0|2,0,0]=4 3556 B11R1.90 CC(C)CNC1CCCC1=O 34a_100000210953_100000709159 [0,1,0,1,0,0|2,0,0]=4 3557 B11R1.90 CC(C)CN[C@@H]1CONC1=O 2230a_100000765999_100000210760 [0,1,0,1,0,0|2,0,0]=4 3558 B11R1.90 CC(C)CN[C@@H]1CONC1=O 270004a_100000765999_100000210432 [0,1,0,1,0,0|2,0,0]=4 3559 B11R1.90 CC(C)CN[C@@H]1CONC1=O 34a_100000765999_100000210624 [0,1,0,1,0,0|2,0,0]=4 3560 B11R1.90 CC(C)COC1CCCC1=O 34a_100000210257_100000709159 [0,1,0,1,0,0|2,0,0]=4 3561 B11R1.90 CC(C)COC1CCCC1=O 34a_200000719330_100000210624 [0,1,0,1,0,0|2,0,0]=4 3562 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000210624_100000211823 [0,1,0,1,0,0|2,0,0]=4 3563 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000211823_100000210760 [0,1,0,1,0,0|2,0,0]=4 3564 B11R1.90 CC(F)COC1CCCC1=O 34a_100015925927_100000709159 [0,1,0,1,0,0|2,0,0]=4 3565 B11R1.90 CC(O)CNC1CCCC1=O 2230a_100000210904_100000211823 [0,1,0,1,0,0|2,0,0]=4 3566 B11R1.90 CC(O)CNC1CCCC1=O 34a_100000210904_100000709159 [0,1,0,1,0,0|2,0,0]=4 3567 B11R1.90 CC(O)CN[C@@H]1CONC1=O 2230a_100000765999_100011218427 [0,1,0,1,0,0|2,0,0]=4 3568 B11R1.90 CC(O)CN[C@@H]1CONC1=O 34a_100000765999_100011218427 [0,1,0,1,0,0|2,0,0]=4 3569 B11R1.90 CC(O)COC1CCCC1=O 34a_200000719330_100011218427 [0,1,0,1,0,0|2,0,0]=4 3570 B11R1.90 CC(O)CSC1CCCC1=O 62a_100000211823_100011218427 [0,1,0,1,0,0|2,0,0]=4 3571 B11R1.90 CC(O)CSC1CCCC1=O 62a_100011218427_100000211823 [0,1,0,1,0,0|2,0,0]=4 3572 B11R1.90 C[C@@H](Cl)COC1CCCC1=O 34a_100016084084_100000709159 [0,1,0,1,0,0|2,0,0]=4 3573 B11R1.90 C[C@@H](N)COC1CCCC1=O 34a_100000737577_100000709159 [0,1,0,1,0,0|2,0,0]=4 3574 B11R1.90 C[C@@H](O)CN[C@@H]1CONC1=O 2230a_100000765999_100009817552 [0,1,0,1,0,0|2,0,0]=4 3575 B11R1.90 C[C@@H](O)CN[C@@H]1CONC1=O 34a_100000765999_100009817552 [0,1,0,1,0,0|2,0,0]=4 3576 B11R1.90 C[C@@H](O)COC1CCCC1=O 34a_200000719330_100009817552 [0,1,0,1,0,0|2,0,0]=4 3577 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100000211823_100009817552 [0,1,0,1,0,0|2,0,0]=4 3578 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100009817552_100000211823 [0,1,0,1,0,0|2,0,0]=4 3579 B11R1.515 CC(=O)N1CCC(C1C)(C)C 11a_100102837566_100015343762 [0,1,0,1,0,0|2,0,0]=4 3580 B11R1.515 CC(=O)N1CCC(C1C)(C)C 1626a_100102837566_100015343762 [0,1,0,1,0,0|2,0,0]=4 3581 B11R1.515 CC(=O)N1CCC(C1C)(C)C 240690a_100102837566_100015343762 [0,1,0,1,0,0|2,0,0]=4 3582 B11R1.515 CC(=O)N1CCC(C1C)(C)C 527a_100102837566_100103153847 [0,1,0,1,0,0|2,0,0]=4 3583 B11R1.565 CC(=O)N1CCCC(CC1)C 11a_100025706717_100015343762 [0,1,0,1,0,0|2,0,0]=4 3584 B11R1.565 CC(=O)N1CCCC(CC1)C 1626a_100025706717_100015343762 [0,1,0,1,0,0|2,0,0]=4 3585 B11R1.565 CC(=O)N1CCCC(CC1)C 240690a_100025706717_100015343762 [0,1,0,1,0,0|2,0,0]=4 3586 B11R1.565 CC(=O)N1CCCC(CC1)C 527a_100025706717_100103153847 [0,1,0,1,0,0|2,0,0]=4 3587 B11R1.565 CC(=O)N1CCCC(CC1)O 240690a_100015186869_100015343762 [0,1,0,1,0,0|2,0,0]=4 3588 B11R1.565 CC(=O)N1CCCC(CC1)O 527a_100015186869_100103153847 [0,1,0,1,0,0|2,0,0]=4 3589 B11R1.565 CC(=O)N1CCCN(CC1)C 2230a_100000233754_200000210301 [0,1,0,1,0,0|2,0,0]=4 3590 B11R1.565 CC(=O)N1CCCN(CC1)C 240690a_100000211313_100015343762 [0,1,0,1,0,0|2,0,0]=4 3591 B11R1.565 CC(=O)N1CCCN(CC1)C 269982a_100000233754_200000210301 [0,1,0,1,0,0|2,0,0]=4 3592 B11R1.565 CC(=O)N1CCCN(CC1)[13CH3] 2230a_100000233754_200025704644 [0,1,0,1,0,0|2,0,0]=4 3593 B11R1.565 CC(=O)N1CCCN(CC1)[13CH3] 269982a_100000233754_200025704644 [0,1,0,1,0,0|2,0,0]=4 3594 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [0,1,0,1,0,0|2,0,0]=4 3595 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [0,1,0,1,0,0|2,0,0]=4 3596 B11R1.727 CC(=O)C1CCC(CC1)(F)F 1458a_100000070787_100009865109 [0,1,0,1,0,0|2,0,0]=4 3597 B11R1.727 CC(=O)C1CCC(CC1)(F)F 1458a_100000752077_200000210301 [0,1,0,1,0,0|2,0,0]=4 3598 B11R1.727 CC(=O)C1COC(OC1)(C)C 1458a_100009873362_200000210301 [0,1,0,1,0,0|1,0,0]=3 3599 B11R1.727 CC(=O)N1CCC(CC1)(C)C 11a_100000750138_100015343762 [0,1,0,1,0,0|2,0,0]=4 3600 B11R1.727 CC(=O)N1CCC(CC1)(C)C 1626a_100000750138_100015343762 [0,1,0,1,0,0|2,0,0]=4 3601 B11R1.727 CC(=O)N1CCC(CC1)(C)C 240690a_100000750138_100015343762 [0,1,0,1,0,0|2,0,0]=4 3602 B11R1.727 CC(=O)N1CCC(CC1)(C)C 527a_100000750138_100103153847 [0,1,0,1,0,0|2,0,0]=4 3603 B11R1.727 CC(=O)N1CCC(CC1)(C)O 240690a_100000690209_100015343762 [0,1,0,1,0,0|2,0,0]=4 3604 B11R1.727 CC(=O)N1CCC(CC1)(C)O 527a_100000690209_100103153847 [0,1,0,1,0,0|2,0,0]=4 3605 B11R1.727 CC1(OCC(CO1)C(=O)[13CH3])C 1458a_100009873362_200025704644 [0,1,0,1,0,0|1,0,0]=3 3606 B11R1.727 [13CH3]C(=O)C1CCC(CC1)(F)F 1458a_100000752077_200025704644 [0,1,0,1,0,0|2,0,0]=4 3607 B11R1.1017 CC(C)C(CO)CNC1CC1 34a_100000692819_100000211595 [0,1,0,1,0,0|1,0,1]=4 3608 B11R1.1017 CC(C)[C@H](CO)NCC1CC1 2230a_100011830312_100000742324 [0,1,0,1,0,0|1,0,1]=4 3609 B11R1.1017 CC(C)[C@H](CO)NCC1CC1 269862a_100011830312_100000741477 [0,1,0,1,0,0|1,0,1]=4 3610 B11R1.1017 CC(C)[C@H](CO)NCC1CC1 34a_100011830312_100000742324 [0,1,0,1,0,0|1,0,1]=4 3611 B11R1.1017 CCC(NCC1CC1)C(=O)N 2230a_100000733705_100000742324 [0,1,0,1,0,0|2,0,0]=4 3612 B11R1.1017 CCC(NCC1CC1)C(=O)N 2230a_100000735609_100000750255 [0,1,0,1,0,0|2,0,0]=4 3613 B11R1.1017 CCC(NCC1CC1)C(=O)N 34a_100000733705_100000742324 [0,1,0,1,0,0|2,0,0]=4 3614 B11R1.1017 CCC(NCC1CC1)C(=O)N 34a_100000735609_100000750255 [0,1,0,1,0,0|2,0,0]=4 3615 B11R1.1017 CCC(OCC1CC1)C(=O)N 34a_100000211283_100000750255 [0,1,0,1,0,0|2,0,0]=4 3616 B11R1.1017 CCC(SCC1CC1)C(=O)N 62a_100000750255_100000742324 [0,1,0,1,0,0|2,0,0]=4 3617 B11R1.1017 CCC(SCC1CC1)C(=O)N 62a_100000756562_100000750255 [0,1,0,1,0,0|2,0,0]=4 3618 B11R1.1017 CC[C@@H](NCC1CC1)C(=O)O 269956a_100000747097_100000742324 [0,1,0,1,0,0|2,0,0]=4 3619 B11R1.1017 C[C@@H](O)[C@@H](CO)NCC1CC1 2230a_100015196842_100000742324 [0,1,0,1,0,0|0,0,2]=4 3620 B11R1.1017 C[C@@H](O)[C@@H](CO)NCC1CC1 269862a_100015196842_100000741477 [0,1,0,1,0,0|0,0,2]=4 3621 B11R1.1017 C[C@@H](O)[C@@H](CO)NCC1CC1 34a_100015196842_100000742324 [0,1,0,1,0,0|0,0,2]=4 3622 B11R1.1017 NC(=O)[C@H](CO)NCC1CC1 2230a_100000729942_100000742324 [0,1,0,1,0,0|1,0,0]=3 3623 B11R1.1017 NC(=O)[C@H](CO)NCC1CC1 34a_100000729942_100000742324 [0,1,0,1,0,0|1,0,0]=3 3624 B11R1.1017 NC(=O)[C@H](CO)NCC1CO1 2230a_100000729942_100011216344 [0,1,0,1,0,0|2,0,0]=4 3625 B11R1.1017 NC(=O)[C@H](CO)NCC1CO1 34a_100000729942_102125554688 [0,1,0,1,0,0|2,0,0]=4 3626 B11R1.1017 O=C(O)C(CO)NCC1CC1 269956a_100000187304_100000742324 [0,1,0,1,0,0|1,0,0]=3 3627 B11R1.1017 O=C(O)C(CO)NCC1CO1 269956a_100000187304_102125554688 [0,1,0,1,0,0|2,0,0]=4 3628 B11R1.1017 O=C(O)C(CO)NCC1CS1 269956a_100000187304_100000031435 [0,1,0,1,0,0|2,0,0]=4 3629 B11R1.1017 O=C(O)C(CO)NC[C@@H]1CO1 269956a_100000187304_100000745022 [0,1,0,1,0,0|2,0,0]=4 3630 B11R1.1391 CC(=O)C1(CC1)SCC(C)C 62a_100000086384_100000210760 [0,1,0,1,0,0|2,0,0]=4 3631 B11R1.1391 CC(=O)C1(CC1)SCC(C)C 62a_100000210624_100000086384 [0,1,0,1,0,0|2,0,0]=4 3632 B11R1.1391 CC(=O)C1(CC1)SCC(C)O 62a_100000086384_100011218427 [0,1,0,1,0,0|2,0,0]=4 3633 B11R1.1391 CC(=O)C1(CC1)SCC(C)O 62a_100011218427_100000086384 [0,1,0,1,0,0|2,0,0]=4 3634 B11R1.1391 CC(=O)C1(CC1)SC[C@@H](C)O 62a_100000086384_100009817552 [0,1,0,1,0,0|2,0,0]=4 3635 B11R1.1391 CC(=O)C1(CC1)SC[C@@H](C)O 62a_100009817552_100000086384 [0,1,0,1,0,0|2,0,0]=4 3636 B11R1.17 CCCNC1CCCNC1=O 2230a_100000747585_100000210303 [0,1,0,1,0,0|2,0,0]=4 3637 B11R1.17 CCCNC1CCCNC1=O 34a_100000747585_100000210303 [0,1,0,1,0,0|2,0,0]=4 3638 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [0,1,0,1,0,0|2,0,0]=4 3639 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [0,1,0,1,0,0|2,0,0]=4 3640 B11R1.17 CCCOC1CCCNC1=O 34a_100000073722_100000210303 [0,1,0,1,0,0|2,0,0]=4 3641 B11R1.17 CCCOC1CCCNC1=O 34a_100000210258_100000687798 [0,1,0,1,0,0|2,0,0]=4 3642 B11R1.17 CCCOC1COCCC1=O 34a_100000210258_100012180262 [0,1,0,1,0,0|1,0,0]=3 3643 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [0,1,0,1,0,0|2,0,0]=4 3644 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [0,1,0,1,0,0|2,0,0]=4 3645 B11R1.17 CCCSC1CCCNC1=O 62a_100000210303_100000687798 [0,1,0,1,0,0|2,0,0]=4 3646 B11R1.17 CCCSC1CCCNC1=O 62a_100000687798_100000210303 [0,1,0,1,0,0|2,0,0]=4 3647 B11R1.17 CCCSC1COCCC1=O 62a_100000210303_100012180262 [0,1,0,1,0,0|1,0,0]=3 3648 B11R1.17 CCCSC1COCCC1=O 62a_100012180262_100000210303 [0,1,0,1,0,0|1,0,0]=3 3649 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [0,1,0,1,0,0|2,0,0]=4 3650 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [0,1,0,1,0,0|2,0,0]=4 3651 B11R1.17 COCSC1COCCC1=O 62a_100000766300_100012180262 [0,1,0,1,0,0|2,0,0]=4 3652 B11R1.17 COCSC1COCCC1=O 62a_100012180262_100000766300 [0,1,0,1,0,0|2,0,0]=4 3653 B11R1.17 CSCSC1COCCC1=O 62a_100011218213_100012180262 [0,1,0,1,0,0|2,0,0]=4 3654 B11R1.17 CSCSC1COCCC1=O 62a_100012180262_100011218213 [0,1,0,1,0,0|2,0,0]=4 3655 B11R1.17 NCCOC1COCCC1=O 34a_100000210304_100012180262 [0,1,0,1,0,0|2,0,0]=4 3656 B11R1.17 O=C1CCOCC1NCCF 34a_100000724931_100012180262 [0,1,0,1,0,0|2,0,0]=4 3657 B11R1.17 O=C1CCOCC1NCCO 34a_100016990907_100012180262 [0,1,0,1,0,0|2,0,0]=4 3658 B11R1.17 O=C1CCOCC1OCCBr 34a_100000211926_100012180262 [0,1,0,1,0,0|2,0,0]=4 3659 B11R1.17 O=C1CCOCC1SCCF 62a_100011217306_100012180262 [0,1,0,1,0,0|2,0,0]=4 3660 B11R1.17 O=C1CCOCC1SCCF 62a_100012180262_100011217306 [0,1,0,1,0,0|2,0,0]=4 3661 B11R1.17 O=C1CCOCC1SCCO 62a_100000211926_100012180262 [0,1,0,1,0,0|2,0,0]=4 3662 B11R1.17 O=C1CCOCC1SCCO 62a_100012180262_100000211926 [0,1,0,1,0,0|2,0,0]=4 3663 B11R1.22 C#CC(=O)C1CCC(CC1)C 1458a_100000211873_200011216234 [0,1,0,1,0,0|1,0,1]=4 3664 B11R1.22 C=CC(=O)C1CCC(CC1)C 1458a_100000185746_200011216234 [0,1,0,1,0,0|1,0,1]=4 3665 B11R1.22 CC1=CCC(CC1)C(=O)CF 1458a_100000137427_100015361967 [0,1,0,1,0,0|1,0,1]=4 3666 B11R1.22 CC1CCC(CC1)C(=O)CO 1458a_100000210174_200011216234 [0,1,0,1,0,0|1,0,0]=3 3667 B11R1.22 CC1CCN(CC1)C(=O)CO 240690a_100000188429_100000210174 [0,1,0,1,0,0|2,0,0]=4 3668 B11R1.22 CC1CCN(CC1)C(=O)CO 527a_100000188429_100000210174 [0,1,0,1,0,0|2,0,0]=4 3669 B11R1.22 CCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000210202 [0,1,0,1,0,0|1,0,1]=4 3670 B11R1.22 CCC(=O)C1CCC(CC1)C 1458a_100000210414_200011216234 [0,1,0,1,0,0|1,0,0]=3 3671 B11R1.22 CCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210202 [0,1,0,1,0,0|2,0,0]=4 3672 B11R1.22 CCC(=O)C1CCN(CC1)C 1458a_100000743488_100000210202 [0,1,0,1,0,0|2,0,0]=4 3673 B11R1.22 CCC(=O)N1CCC(CC1)C 240690a_100000188429_100000210414 [0,1,0,1,0,0|2,0,0]=4 3674 B11R1.22 CCC(=O)N1CCC(CC1)C 527a_100000188429_100000210414 [0,1,0,1,0,0|2,0,0]=4 3675 B11R1.22 CCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210202 [0,1,0,1,0,0|1,0,0]=3 3676 B11R1.22 CN1CCC(CC1)C(=O)CF 1458a_100000743488_100015361967 [0,1,0,1,0,0|2,0,0]=4 3677 B11R1.22 CNC(=O)C1CC=C(CC1)C 11a_106832991635_100000137427 [0,1,0,1,0,0|1,0,1]=4 3678 B11R1.22 CNC(=O)C1CC=C(CC1)C 1626a_100102657272_100000137427 [0,1,0,1,0,0|1,0,1]=4 3679 B11R1.22 CNC(=O)C1CC=C(CC1)C 240690a_100102657272_100000137427 [0,1,0,1,0,0|1,0,1]=4 3680 B11R1.22 CNC(=O)C1CC=C(CC1)C 527a_100102657272_100000137427 [0,1,0,1,0,0|1,0,1]=4 3681 B11R1.22 CNC(=O)C1CCC(CC1)O 1626a_100102657272_100000743365 [0,1,0,1,0,0|2,0,0]=4 3682 B11R1.22 CNC(=O)C1CCC(CC1)O 240690a_100102657272_100000743365 [0,1,0,1,0,0|2,0,0]=4 3683 B11R1.22 CNC(=O)C1CCC(CC1)O 527a_100102657272_100000743365 [0,1,0,1,0,0|2,0,0]=4 3684 B11R1.22 CNC(=O)C1CCN(CC1)C 2230a_100000746005_200000210301 [0,1,0,1,0,0|2,0,0]=4 3685 B11R1.22 CNC(=O)C1CCN(CC1)C 240690a_100102657272_100000743488 [0,1,0,1,0,0|2,0,0]=4 3686 B11R1.22 CNC(=O)C1CCN(CC1)C 269982a_100000746005_200000210301 [0,1,0,1,0,0|2,0,0]=4 3687 B11R1.22 CNC(=O)C1CCN(CC1)C 34a_100000746005_200000210301 [0,1,0,1,0,0|2,0,0]=4 3688 B11R1.22 CNC(=O)C1CCN(CC1)C 527a_100102657272_100000743488 [0,1,0,1,0,0|2,0,0]=4 3689 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 2230a_100000746005_200025704644 [0,1,0,1,0,0|2,0,0]=4 3690 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 269982a_100000746005_200025704644 [0,1,0,1,0,0|2,0,0]=4 3691 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 34a_100000746005_200025704644 [0,1,0,1,0,0|2,0,0]=4 3692 B11R1.22 CNC(=O)N1CCC(CC1)C 2708a_100102657272_100000188429 [0,1,0,1,0,0|2,0,0]=4 3693 B11R1.22 CNC(=O)N1CCC(CC1)C 273464a_100102657272_100000188429 [0,1,0,1,0,0|2,0,0]=4 3694 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 11a_106832991635_100009815934 [0,1,0,1,0,0|1,0,0]=3 3695 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 1626a_100102657272_100009815934 [0,1,0,1,0,0|1,0,0]=3 3696 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100102657272_100009815934 [0,1,0,1,0,0|1,0,0]=3 3697 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100102657272_100009815934 [0,1,0,1,0,0|1,0,0]=3 3698 B11R1.22 COC(=O)C1CCN(CC1)C 2230a_100000212072_200000210301 [0,1,0,1,0,0|2,0,0]=4 3699 B11R1.22 COC(=O)C1CCN(CC1)C 269982a_100000212072_200000210301 [0,1,0,1,0,0|2,0,0]=4 3700 B11R1.22 COC(=O)C1CCN(CC1)[13CH3] 2230a_100000212072_200025704644 [0,1,0,1,0,0|2,0,0]=4 3701 B11R1.22 COC(=O)C1CCN(CC1)[13CH3] 269982a_100000212072_200025704644 [0,1,0,1,0,0|2,0,0]=4 3702 B11R1.22 C[C@H]1CC[C@@H](CC1)C(=O)CF 1458a_100009815934_100015361967 [0,1,0,1,0,0|1,0,0]=3 3703 B11R1.22 O=C(CF)C1CCC(CC1)O 1458a_100000743365_100015361967 [0,1,0,1,0,0|2,0,0]=4 3704 B11R1.44 CCC(=O)C1CCN(C1)CC 1458a_100103286618_100000210202 [0,1,0,1,0,0|2,0,0]=4 3705 B11R1.44 CCN1CCC(C1)C(=O)CF 1458a_100103286618_100015361967 [0,1,0,1,0,0|2,0,0]=4 3706 B11R1.44 CCN1CCC(C1)C(=O)NC 11a_106832991635_100103286618 [0,1,0,1,0,0|2,0,0]=4 3707 B11R1.44 CCN1CCC(C1)C(=O)NC 2230a_100020588580_100000210202 [0,1,0,1,0,0|2,0,0]=4 3708 B11R1.44 CCN1CCC(C1)C(=O)NC 240690a_100102657272_100103286618 [0,1,0,1,0,0|2,0,0]=4 3709 B11R1.44 CCN1CCC(C1)C(=O)NC 269982a_100020588580_100000204670 [0,1,0,1,0,0|2,0,0]=4 3710 B11R1.44 CCN1CCC(C1)C(=O)NC 34a_100020588580_100000210202 [0,1,0,1,0,0|2,0,0]=4 3711 B11R1.44 CCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100000210202 [0,1,0,1,0,0|2,0,0]=4 3712 B11R1.44 CCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000204670 [0,1,0,1,0,0|2,0,0]=4 3713 B11R1.44 COC(=O)C1CCC(C1)OC 34a_100010257243_200000210301 [0,1,0,1,0,0|2,0,0]=4 3714 B11R1.44 COC(=O)C1CCC(C1)OC 7a_100010257243_200000210301 [0,1,0,1,0,0|2,0,0]=4 3715 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 34a_100010257243_200025704644 [0,1,0,1,0,0|2,0,0]=4 3716 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 7a_100010257243_200025704644 [0,1,0,1,0,0|2,0,0]=4 3717 B11R1.115 CCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210303 [0,1,0,1,0,0|2,0,0]=4 3718 B11R1.115 CCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210303 [0,1,0,1,0,0|2,0,0]=4 3719 B11R1.212 CCCOC1CCN(C1=O)C 34a_100000210258_100000755940 [0,1,0,1,0,0|2,0,0]=4 3720 B11R1.212 CCCSC1CCN(C1=O)C 62a_100000210303_100000755940 [0,1,0,1,0,0|2,0,0]=4 3721 B11R1.212 CCCSC1CCN(C1=O)C 62a_100000755940_100000210303 [0,1,0,1,0,0|2,0,0]=4 3722 B11R1.212 CCOCC1CCN(C1=O)C 34a_100009823153_100000210202 [0,1,0,1,0,0|2,0,0]=4 3723 B11R1.222 CC1CCCCC1C(=O)CF 1458a_100011215568_100015361967 [0,1,0,1,0,0|1,0,0]=3 3724 B11R1.222 CC1CCCCN1C(=O)CO 240690a_100000211376_100000210174 [0,1,0,1,0,0|2,0,0]=4 3725 B11R1.222 CC1CCCCN1C(=O)CO 527a_100000211376_100000210174 [0,1,0,1,0,0|2,0,0]=4 3726 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [0,1,0,1,0,0|0,0,2]=4 3727 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,1,0,1,0,0|1,0,0]=3 3728 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [0,1,0,1,0,0|0,0,0]=2 3729 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [0,1,0,1,0,0|2,0,0]=4 3730 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [0,1,0,1,0,0|2,0,0]=4 3731 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [0,1,0,1,0,0|2,0,0]=4 3732 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [0,1,0,1,0,0|2,0,0]=4 3733 B11R1.222 CCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210202 [0,1,0,1,0,0|2,0,0]=4 3734 B11R1.222 CCN(C)C1CCCCC1O 269982a_100000225621_100000038908 [0,1,0,1,0,0|2,0,0]=4 3735 B11R1.222 CCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000204670 [0,1,0,1,0,0|2,0,0]=4 3736 B11R1.222 CN(CF)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100015361967 [0,1,0,1,0,0|2,0,0]=4 3737 B11R1.222 CN1CCCC[C@@H]1C(=O)CF 1458a_100000767060_100015361967 [0,1,0,1,0,0|2,0,0]=4 3738 B11R1.222 CNC(=O)C1CCCCC1C 11a_106832991635_100011215568 [0,1,0,1,0,0|1,0,0]=3 3739 B11R1.222 CNC(=O)C1CCCCC1C 1626a_100102657272_100011215568 [0,1,0,1,0,0|1,0,0]=3 3740 B11R1.222 CNC(=O)C1CCCCC1C 240690a_100102657272_100011215568 [0,1,0,1,0,0|1,0,0]=3 3741 B11R1.222 CNC(=O)C1CCCCC1C 527a_100102657272_100011215568 [0,1,0,1,0,0|1,0,0]=3 3742 B11R1.222 CNC(=O)C1CCCCN1C 2230a_100011209383_200000210301 [0,1,0,1,0,0|2,0,0]=4 3743 B11R1.222 CNC(=O)C1CCCCN1C 269982a_100011209383_200000210301 [0,1,0,1,0,0|2,0,0]=4 3744 B11R1.222 CNC(=O)C1CCCCN1C 34a_100011209383_200000210301 [0,1,0,1,0,0|2,0,0]=4 3745 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 2230a_100011209383_200025704644 [0,1,0,1,0,0|2,0,0]=4 3746 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 269982a_100011209383_200025704644 [0,1,0,1,0,0|2,0,0]=4 3747 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 34a_100011209383_200025704644 [0,1,0,1,0,0|2,0,0]=4 3748 B11R1.222 CNC(=O)N1CCCCC1C 2708a_100102657272_100000211376 [0,1,0,1,0,0|2,0,0]=4 3749 B11R1.222 CNC(=O)N1CCCCC1C 273464a_100102657272_100000211376 [0,1,0,1,0,0|2,0,0]=4 3750 B11R1.222 CNC(=O)[C@H]1CCCCN1C 11a_106832991635_100000767060 [0,1,0,1,0,0|2,0,0]=4 3751 B11R1.222 CNC(=O)[C@H]1CCCCN1C 1626a_100102657272_100000767060 [0,1,0,1,0,0|2,0,0]=4 3752 B11R1.222 CNC(=O)[C@H]1CCCCN1C 240690a_100102657272_100000767060 [0,1,0,1,0,0|2,0,0]=4 3753 B11R1.222 CNC(=O)[C@H]1CCCCN1C 527a_100102657272_100000767060 [0,1,0,1,0,0|2,0,0]=4 3754 B11R1.222 COC(=O)C1CCCCN1C 2230a_100000734855_200000210301 [0,1,0,1,0,0|2,0,0]=4 3755 B11R1.222 COC(=O)C1CCCCN1C 269982a_100000734855_200000210301 [0,1,0,1,0,0|2,0,0]=4 3756 B11R1.222 COC(=O)C1CCCCN1C 34a_100000734855_200000210301 [0,1,0,1,0,0|2,0,0]=4 3757 B11R1.222 COC(=O)C1CCCCN1[13CH3] 2230a_100000734855_200025704644 [0,1,0,1,0,0|2,0,0]=4 3758 B11R1.222 COC(=O)C1CCCCN1[13CH3] 269982a_100000734855_200025704644 [0,1,0,1,0,0|2,0,0]=4 3759 B11R1.222 COC(=O)C1CCCCN1[13CH3] 34a_100000734855_200025704644 [0,1,0,1,0,0|2,0,0]=4 3760 B11R1.222 O=C(CF)C1CCCCC1O 1458a_100011803323_100015361967 [0,1,0,1,0,0|0,0,0]=2 3761 B11R1.222 O=C(CO)C1CCCCC1=O 1458a_100000210174_100000204591 [0,1,0,1,0,0|0,0,2]=4 3762 B11R1.381 CN1CCCCC(C1=O)N[13CH3] 2230a_100159325733_200025704644 [0,1,0,1,0,0|2,0,0]=4 3763 B11R1.381 CN1CCCCC(C1=O)N[13CH3] 34a_100159325733_200025704644 [0,1,0,1,0,0|2,0,0]=4 3764 B11R1.381 CNC1CCCCN(C1=O)C 2230a_100159325733_200000210301 [0,1,0,1,0,0|2,0,0]=4 3765 B11R1.381 CNC1CCCCN(C1=O)C 34a_100159325733_200000210301 [0,1,0,1,0,0|2,0,0]=4 3766 B11R1.852 C#CC(=O)C1CCCCCC1 1458a_100000211873_100011217769 [0,1,0,1,0,0|1,0,1]=4 3767 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [0,1,0,1,0,0|1,0,1]=4 3768 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,1,0,1,0,0|1,0,0]=3 3769 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,1,0,1,0,0|1,0,0]=3 3770 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 3771 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 3772 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 3773 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 3774 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [0,1,0,1,0,0|1,0,0]=3 3775 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [0,1,0,1,0,0|1,0,0]=3 3776 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [0,1,0,1,0,0|1,0,0]=3 3777 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [0,1,0,1,0,0|1,0,0]=3 3778 B11R1.852 CNC(=O)N1CCCCCC1 2708a_100102657272_100000185865 [0,1,0,1,0,0|2,0,0]=4 3779 B11R1.852 CNC(=O)N1CCCCCC1 273464a_100102657272_100000185865 [0,1,0,1,0,0|2,0,0]=4 3780 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [0,1,0,1,0,0|1,0,0]=3 3781 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,1,0,0|1,0,0]=3 3782 B11R1.852 O=C(CO)N1CCCCCC1 240690a_100000185865_100000210174 [0,1,0,1,0,0|2,0,0]=4 3783 B11R1.852 O=C(CO)N1CCCCCC1 527a_100000185865_100000210174 [0,1,0,1,0,0|2,0,0]=4 3784 B11R1.860 CCC(=O)N(CC)C1CCC1 11a_100000758130_100000210414 [0,1,0,1,0,0|2,0,0]=4 3785 B11R1.860 CCC(=O)N(CC)C1CCC1 1626a_100000758130_100000210414 [0,1,0,1,0,0|2,0,0]=4 3786 B11R1.860 CCC(=O)N(CC)C1CCC1 240690a_100000758130_100000210414 [0,1,0,1,0,0|2,0,0]=4 3787 B11R1.860 CCC(=O)N(CC)C1CCC1 527a_100000758130_100000210414 [0,1,0,1,0,0|2,0,0]=4 3788 B11R1.860 CCC(C(=O)OC)N1CCC1 269982a_100000754969_100000235869 [0,1,0,1,0,0|2,0,0]=4 3789 B11R1.860 CCN(C(=O)CO)C1CCC1 240690a_100000758130_100000210174 [0,1,0,1,0,0|2,0,0]=4 3790 B11R1.860 CCN(C(=O)CO)C1CCC1 527a_100000758130_100000210174 [0,1,0,1,0,0|2,0,0]=4 3791 B11R1.860 CCN(C(=O)NC)C1CCC1 2708a_100102657272_100000758130 [0,1,0,1,0,0|2,0,0]=4 3792 B11R1.860 CCN(C(=O)NC)C1CCC1 273464a_100102657272_100000758130 [0,1,0,1,0,0|2,0,0]=4 3793 B11R1.862 CCC(=O)C(CC)OC1CC1 34a_200011218131_100000211595 [0,1,0,1,0,0|2,0,0]=4 3794 B11R1.862 CCC(NC1CC1)C(=O)OC 34a_100000212008_100000235869 [0,1,0,1,0,0|2,0,0]=4 3795 B11R1.862 CCC(OC1CC1)C(=O)OC 34a_100000695916_100000211595 [0,1,0,1,0,0|2,0,0]=4 3796 B11R1.862 CCC(SC1CC1)C(=O)OC 62a_100000235869_100000211595 [0,1,0,1,0,0|2,0,0]=4 3797 B11R1.862 CC[C@H](NC1CC1)C(=O)NC 34a_106657271573_100000211595 [0,1,0,1,0,0|2,0,0]=4 3798 B11R1.862 COC(=O)C(CN)OC1CC1 34a_100000695228_100000211595 [0,1,0,1,0,0|2,0,0]=4 3799 B11R1.862 COC(=O)C(CO)NC1CC1 34a_100000212008_100012276630 [0,1,0,1,0,0|1,0,0]=3 3800 B11R1.862 COC(=O)C(CO)SC1CC1 62a_100012276630_100000211595 [0,1,0,1,0,0|1,0,0]=3 3801 B11R1.862 COC(=O)[C@@H](CC1CC1)OC 34a_100015422700_200000210301 [0,1,0,1,0,0|2,0,0]=4 3802 B11R1.862 COC(=O)[C@@H](CC1CC1)OC 7a_100015422700_200000210301 [0,1,0,1,0,0|2,0,0]=4 3803 B11R1.862 COC(=O)[C@@H](CC1CC1)O[13CH3] 34a_100015422700_200025704644 [0,1,0,1,0,0|2,0,0]=4 3804 B11R1.862 COC(=O)[C@@H](CC1CC1)O[13CH3] 7a_100015422700_200025704644 [0,1,0,1,0,0|2,0,0]=4 3805 B11R1.915 CCCOC1(CC1)C(=O)OC 34a_100000210258_100000698272 [0,1,0,1,0,0|2,0,0]=4 3806 B11R1.915 CCCOC1(CC1)C(=O)OC 34a_100000719341_100000210303 [0,1,0,1,0,0|2,0,0]=4 3807 B11R1.915 CCCOC1(CC1)C(=O)OC 7a_100000719341_100000210303 [0,1,0,1,0,0|2,0,0]=4 3808 B11R1.915 CCCSC1(CC1)C(=O)OC 62a_100000210303_100000698272 [0,1,0,1,0,0|2,0,0]=4 3809 B11R1.915 CCCSC1(CC1)C(=O)OC 62a_100000698272_100000210303 [0,1,0,1,0,0|2,0,0]=4 3810 B11R1.915 CCOCC1(CC1)C(=O)OC 34a_100009885095_100000210202 [0,1,0,1,0,0|2,0,0]=4 3811 B11R1.915 CCOCC1(CC1)C(=O)OC 7a_100009885095_100000210202 [0,1,0,1,0,0|2,0,0]=4 3812 B11R1.1472 CCC(=O)C1(CCCC1)C#N 1458a_100000209868_100000210202 [0,1,0,1,0,0|1,0,1]=4 3813 B11R1.1472 CNC(=O)C1(CCCC1)C#N 11a_106832991635_100000209868 [0,1,0,1,0,0|1,0,1]=4 3814 B11R1.1472 CNC(=O)C1(CCCC1)C#N 1626a_100102657272_100000209868 [0,1,0,1,0,0|1,0,1]=4 3815 B11R1.1472 CNC(=O)C1(CCCC1)C#N 240690a_100102657272_100000209868 [0,1,0,1,0,0|1,0,1]=4 3816 B11R1.1472 N#CC1(CCCC1)C(=O)CF 1458a_100000209868_100015361967 [0,1,0,1,0,0|1,0,1]=4 3817 B11R1.3 CC(=O)C1CCC(CC1)CO 1458a_100011217856_200000210301 [0,1,0,1,0,0|1,0,0]=3 3818 B11R1.3 CC(=O)N1CCC(CC1)CF 11a_100015203933_100015343762 [0,1,0,1,0,0|2,0,0]=4 3819 B11R1.3 CC(=O)N1CCC(CC1)CF 1626a_100015203933_100015343762 [0,1,0,1,0,0|2,0,0]=4 3820 B11R1.3 CC(=O)N1CCC(CC1)CF 240690a_100015203933_100015343762 [0,1,0,1,0,0|2,0,0]=4 3821 B11R1.3 CC(=O)N1CCC(CC1)CF 527a_100015203933_100103153847 [0,1,0,1,0,0|2,0,0]=4 3822 B11R1.3 CC(=O)N1CCC(CC1)CO 240690a_100000738675_100015343762 [0,1,0,1,0,0|2,0,0]=4 3823 B11R1.3 CC(=O)N1CCC(CC1)CO 527a_100000738675_100103153847 [0,1,0,1,0,0|2,0,0]=4 3824 B11R1.3 CC(=O)N1CCC(CC1)N[13CH3] 2230a_100000203771_200025704644 [0,1,0,1,0,0|2,0,0]=4 3825 B11R1.3 CC(=O)N1CCC(CC1)O[13CH3] 7a_100000194330_200025704644 [0,1,0,1,0,0|2,0,0]=4 3826 B11R1.3 CC(=O)N1CCC(CC1)S[13CH3] 62a_200025704644_100011863393 [0,1,0,1,0,0|2,0,0]=4 3827 B11R1.3 CC(=O)[C@H]1CC[C@@H](CC1)C#N 1458a_100132307125_200000210301 [0,1,0,1,0,0|1,0,1]=4 3828 B11R1.3 CCC1CCN(CC1)C(=O)C 11a_100000754474_100015343762 [0,1,0,1,0,0|2,0,0]=4 3829 B11R1.3 CCC1CCN(CC1)C(=O)C 1626a_100000754474_100015343762 [0,1,0,1,0,0|2,0,0]=4 3830 B11R1.3 CCC1CCN(CC1)C(=O)C 240690a_100000754474_100015343762 [0,1,0,1,0,0|2,0,0]=4 3831 B11R1.3 CCC1CCN(CC1)C(=O)C 527a_100000754474_100103153847 [0,1,0,1,0,0|2,0,0]=4 3832 B11R1.3 CCN1CCC(CC1)C(=O)C 1458a_100015186486_200000210301 [0,1,0,1,0,0|1,0,0]=3 3833 B11R1.3 CCN1CCC(CC1)C(=O)N 2230a_100000210938_100000210202 [0,1,0,1,0,0|2,0,0]=4 3834 B11R1.3 CCN1CCC(CC1)C(=O)N 269982a_100000210938_100000204670 [0,1,0,1,0,0|2,0,0]=4 3835 B11R1.3 CCN1CCC(CC1)C(=O)N 34a_100000210938_100000210202 [0,1,0,1,0,0|2,0,0]=4 3836 B11R1.3 CCN1CCC(CC1)C(=O)O 269956a_100000210459_100000210202 [0,1,0,1,0,0|2,0,0]=4 3837 B11R1.3 CCN1CCC(CC1)C(=O)[13CH3] 1458a_100015186486_200025704644 [0,1,0,1,0,0|1,0,0]=3 3838 B11R1.3 CCN1CCN(CC1)C(=O)C 11a_100000210033_100015343762 [0,1,0,1,0,0|2,0,0]=4 3839 B11R1.3 CCN1CCN(CC1)C(=O)C 2230a_100000210354_100000210202 [0,1,0,1,0,0|2,0,0]=4 3840 B11R1.3 CCN1CCN(CC1)C(=O)C 240690a_100000210033_100015343762 [0,1,0,1,0,0|2,0,0]=4 3841 B11R1.3 CCN1CCN(CC1)C(=O)C 269982a_100000210354_100000204670 [0,1,0,1,0,0|2,0,0]=4 3842 B11R1.3 CCN1CCN(CC1)C(=O)C 527a_100000210033_100103153847 [0,1,0,1,0,0|2,0,0]=4 3843 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100000709782_200000210301 [0,1,0,1,0,0|1,0,0]=3 3844 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100000709782_200025704644 [0,1,0,1,0,0|1,0,0]=3 3845 B11R1.3 CNC1CCC(CC1)C(=O)N 270004a_106832991635_200000102705 [0,1,0,1,0,0|2,0,0]=4 3846 B11R1.3 CNC1CCN(CC1)C(=O)C 2230a_100000203771_200000210301 [0,1,0,1,0,0|2,0,0]=4 3847 B11R1.3 CNC1CCN(CC1)C(=O)C 270004a_106832991635_100000162417 [0,1,0,1,0,0|2,0,0]=4 3848 B11R1.3 CN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200000210301 [0,1,0,1,0,0|2,0,0]=4 3849 B11R1.3 COC1CCC(CC1)C(=O)C 1458a_100011215563_200000210301 [0,1,0,1,0,0|1,0,0]=3 3850 B11R1.3 COC1CCC(CC1)C(=O)[13CH3] 1458a_100011215563_200025704644 [0,1,0,1,0,0|1,0,0]=3 3851 B11R1.3 COC1CCN(CC1)C(=O)C 11a_100000234800_100015343762 [0,1,0,1,0,0|2,0,0]=4 3852 B11R1.3 COC1CCN(CC1)C(=O)C 1626a_100000234800_100015343762 [0,1,0,1,0,0|2,0,0]=4 3853 B11R1.3 COC1CCN(CC1)C(=O)C 240690a_100000234800_100015343762 [0,1,0,1,0,0|2,0,0]=4 3854 B11R1.3 COC1CCN(CC1)C(=O)C 527a_100000234800_100103153847 [0,1,0,1,0,0|2,0,0]=4 3855 B11R1.3 COC1CCN(CC1)C(=O)C 7a_100000194330_200000210301 [0,1,0,1,0,0|2,0,0]=4 3856 B11R1.3 CSC1CCN(CC1)C(=O)C 11a_100015202541_100015343762 [0,1,0,1,0,0|2,0,0]=4 3857 B11R1.3 CSC1CCN(CC1)C(=O)C 1626a_100015202541_100015343762 [0,1,0,1,0,0|2,0,0]=4 3858 B11R1.3 CSC1CCN(CC1)C(=O)C 240690a_100015202541_100015343762 [0,1,0,1,0,0|2,0,0]=4 3859 B11R1.3 CSC1CCN(CC1)C(=O)C 527a_100015202541_100103153847 [0,1,0,1,0,0|2,0,0]=4 3860 B11R1.3 CSC1CCN(CC1)C(=O)C 62a_200000210301_100011863393 [0,1,0,1,0,0|2,0,0]=4 3861 B11R1.3 [13CH3]C(=O)C1CCC(CC1)CO 1458a_100011217856_200025704644 [0,1,0,1,0,0|1,0,0]=3 3862 B11R1.3 [13CH3]C(=O)[C@H]1CC[C@@H](CC1)C#N 1458a_100132307125_200025704644 [0,1,0,1,0,0|1,0,1]=4 3863 B11R1.3 [13CH3]N[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200025704644 [0,1,0,1,0,0|2,0,0]=4 3864 B11R1.124 CC(=O)N1CCC(C1)CCO 240690a_100016987287_100015343762 [0,1,0,1,0,0|2,0,0]=4 3865 B11R1.124 CC(=O)N1CCC(C1)CCO 527a_100016987287_100103153847 [0,1,0,1,0,0|2,0,0]=4 3866 B11R1.124 CCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210303 [0,1,0,1,0,0|2,0,0]=4 3867 B11R1.124 CCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210303 [0,1,0,1,0,0|2,0,0]=4 3868 B11R1.124 CCCN1CCC(C1)C(=O)N 34a_100000752358_100000210303 [0,1,0,1,0,0|2,0,0]=4 3869 B11R1.124 CCNC1CCN(C1)C(=O)C 2230a_100000705975_100000210202 [0,1,0,1,0,0|2,0,0]=4 3870 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 3871 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 11a_100011787710_100015343762 [0,1,0,1,0,0|2,0,0]=4 3872 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 1626a_100011787710_100015343762 [0,1,0,1,0,0|2,0,0]=4 3873 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 240690a_100011787710_100015343762 [0,1,0,1,0,0|2,0,0]=4 3874 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 527a_100011787710_100103153847 [0,1,0,1,0,0|2,0,0]=4 3875 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 7a_100012000934_100000210202 [0,1,0,1,0,0|2,0,0]=4 3876 B11R1.124 COCC1CCN(C1)C(=O)C 11a_100025706693_100015343762 [0,1,0,1,0,0|2,0,0]=4 3877 B11R1.124 COCC1CCN(C1)C(=O)C 1626a_100025706693_100015343762 [0,1,0,1,0,0|2,0,0]=4 3878 B11R1.124 COCC1CCN(C1)C(=O)C 240690a_100025706693_100015343762 [0,1,0,1,0,0|2,0,0]=4 3879 B11R1.124 COCC1CCN(C1)C(=O)C 527a_100025706693_100103153847 [0,1,0,1,0,0|2,0,0]=4 3880 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [0,1,0,1,0,0|1,0,0]=3 3881 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [0,1,0,1,0,0|1,0,0]=3 3882 B11R1.180 CCCCNC1CCNC1=O 2230a_100016995588_100000210211 [0,1,0,1,0,0|2,0,0]=4 3883 B11R1.180 CCCCNC1CCNC1=O 34a_100016995588_100000210210 [0,1,0,1,0,0|2,0,0]=4 3884 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [0,1,0,1,0,0|2,0,0]=4 3885 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [0,1,0,1,0,0|2,0,0]=4 3886 B11R1.180 CCCCNC1COCC1O 7a_106832991798_200000725654 [0,1,0,1,0,0|0,0,2]=4 3887 B11R1.180 CCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210211 [0,1,0,1,0,0|1,0,0]=3 3888 B11R1.180 CCCCN[C@@H]1CONC1=O 34a_100000765999_100000210210 [0,1,0,1,0,0|1,0,0]=3 3889 B11R1.180 CCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210211 [0,1,0,1,0,0|0,0,2]=4 3890 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [0,1,0,1,0,0|1,0,0]=3 3891 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [0,1,0,1,0,0|1,0,0]=3 3892 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [0,1,0,1,0,0|1,0,0]=3 3893 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [0,1,0,1,0,0|2,0,0]=4 3894 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [0,1,0,1,0,0|2,0,0]=4 3895 B11R1.180 CCCCOC1COCC1O 34a_100000210227_200000725654 [0,1,0,1,0,0|0,0,2]=4 3896 B11R1.180 CCCCOC1COCC1O 7a_100000210227_200000725654 [0,1,0,1,0,0|0,0,2]=4 3897 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [0,1,0,1,0,0|2,0,0]=4 3898 B11R1.180 CCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210210 [0,1,0,1,0,0|1,0,1]=4 3899 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [0,1,0,1,0,0|1,0,0]=3 3900 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [0,1,0,1,0,0|1,0,0]=3 3901 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [0,1,0,1,0,0|2,0,0]=4 3902 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [0,1,0,1,0,0|2,0,0]=4 3903 B11R1.180 CCCCSC1COCC1O 62a_100000210211_200000725654 [0,1,0,1,0,0|0,0,2]=4 3904 B11R1.180 CCCCSC1COCC1O 62a_200000725654_100000210210 [0,1,0,1,0,0|0,0,2]=4 3905 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [0,1,0,1,0,0|2,0,0]=4 3906 B11R1.180 CCCSCN1CCCC1=O 62a_100000026320_100000210303 [0,1,0,1,0,0|2,0,0]=4 3907 B11R1.180 CCCSCN1CCCC1=O 62a_100000210303_100000026320 [0,1,0,1,0,0|2,0,0]=4 3908 B11R1.180 CCNCCN1CCCC1=O 2230a_100011200922_100000210202 [0,1,0,1,0,0|2,0,0]=4 3909 B11R1.180 CCNCCN1CCCC1=O 2230a_100015525214_100000739059 [0,1,0,1,0,0|2,0,0]=4 3910 B11R1.180 CCOCCN1CCCC1=O 34a_100000211209_100000210202 [0,1,0,1,0,0|2,0,0]=4 3911 B11R1.180 CCOCCN1CCCC1=O 34a_100121572206_100000739059 [0,1,0,1,0,0|2,0,0]=4 3912 B11R1.180 CCOCCN1CCCC1=O 7a_100000211209_100000210202 [0,1,0,1,0,0|2,0,0]=4 3913 B11R1.180 CCOCSC1CCCC1=O 62a_100000211823_100000739092 [0,1,0,1,0,0|2,0,0]=4 3914 B11R1.180 CCOCSC1CCCC1=O 62a_100000739092_100000211823 [0,1,0,1,0,0|2,0,0]=4 3915 B11R1.180 CCSCCN1CCCC1=O 62a_100000210202_100000739059 [0,1,0,1,0,0|2,0,0]=4 3916 B11R1.180 CCSCCN1CCCC1=O 62a_100000739059_100000210202 [0,1,0,1,0,0|2,0,0]=4 3917 B11R1.180 CNCCCN1CCCC1=O 2230a_100000210347_200000210301 [0,1,0,1,0,0|2,0,0]=4 3918 B11R1.180 CNCCCN1CCCC1=O 34a_100000210347_200000210301 [0,1,0,1,0,0|2,0,0]=4 3919 B11R1.180 COCCCN1CCCC1=O 34a_100011216539_200000210301 [0,1,0,1,0,0|2,0,0]=4 3920 B11R1.180 COCCCN1CCCC1=O 7a_100011216539_200000210301 [0,1,0,1,0,0|2,0,0]=4 3921 B11R1.180 COCCNC1CCCC1=O 2230a_100000209980_100000211823 [0,1,0,1,0,0|2,0,0]=4 3922 B11R1.180 COCCN[C@@H]1CONC1=O 2230a_100000765999_100011201679 [0,1,0,1,0,0|2,0,0]=4 3923 B11R1.180 COCCN[C@@H]1CONC1=O 34a_100000765999_100011201679 [0,1,0,1,0,0|2,0,0]=4 3924 B11R1.180 COCCOC1CCCC1=O 34a_100000210237_100000709159 [0,1,0,1,0,0|2,0,0]=4 3925 B11R1.180 COCCOC1CCCC1=O 34a_200000719330_100011201679 [0,1,0,1,0,0|2,0,0]=4 3926 B11R1.180 COCCSC1CCCC1=O 62a_100000211823_100000233755 [0,1,0,1,0,0|2,0,0]=4 3927 B11R1.180 COCCSC1CCCC1=O 62a_100000233755_100000211823 [0,1,0,1,0,0|2,0,0]=4 3928 B11R1.180 CSCCNC1CCCC1=O 2230a_100020590264_100000211823 [0,1,0,1,0,0|2,0,0]=4 3929 B11R1.180 CSCCN[C@@H]1CONC1=O 2230a_100000765999_100000751147 [0,1,0,1,0,0|2,0,0]=4 3930 B11R1.180 CSCCN[C@@H]1CONC1=O 34a_100000765999_100000212216 [0,1,0,1,0,0|2,0,0]=4 3931 B11R1.180 CSCCOC1CCCC1=O 34a_100000230434_100000709159 [0,1,0,1,0,0|2,0,0]=4 3932 B11R1.180 CSCCOC1CCCC1=O 34a_200000719330_100000212216 [0,1,0,1,0,0|2,0,0]=4 3933 B11R1.180 CSCCOC1CCCC1=O 7a_100000230434_100000211823 [0,1,0,1,0,0|2,0,0]=4 3934 B11R1.180 CSCCSC1CCCC1=O 62a_100000211823_100000751147 [0,1,0,1,0,0|2,0,0]=4 3935 B11R1.180 CSCCSC1CCCC1=O 62a_100000212216_100000211823 [0,1,0,1,0,0|2,0,0]=4 3936 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [0,1,0,1,0,0|2,0,0]=4 3937 B11R1.180 O=C1CCCC1NCCCF 2230a_100015189416_100000211823 [0,1,0,1,0,0|2,0,0]=4 3938 B11R1.180 O=C1CCCC1NCCCF 34a_100015189416_100000709159 [0,1,0,1,0,0|2,0,0]=4 3939 B11R1.180 O=C1CCCC1OCCCBr 34a_100011217188_100000709159 [0,1,0,1,0,0|2,0,0]=4 3940 B11R1.180 O=C1CCCC1OCCCCl 34a_100000230001_100000709159 [0,1,0,1,0,0|2,0,0]=4 3941 B11R1.180 O=C1CCCC1OCCCF 34a_100000759539_100000709159 [0,1,0,1,0,0|2,0,0]=4 3942 B11R1.180 O=C1CCCC1OCCCF 34a_200000719330_100011934791 [0,1,0,1,0,0|2,0,0]=4 3943 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [0,1,0,1,0,0|2,0,0]=4 3944 B11R1.180 O=C1CCCC1SCCCF 62a_100000211823_100011934791 [0,1,0,1,0,0|2,0,0]=4 3945 B11R1.180 O=C1CCCC1SCCCF 62a_100011934791_100000211823 [0,1,0,1,0,0|2,0,0]=4 3946 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [0,1,0,1,0,0|2,0,0]=4 3947 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [0,1,0,1,0,0|2,0,0]=4 3948 B11R1.180 O=C1NOC[C@H]1NCCCF 2230a_100000765999_100011934791 [0,1,0,1,0,0|2,0,0]=4 3949 B11R1.180 O=C1NOC[C@H]1NCCCF 34a_100000765999_100011934791 [0,1,0,1,0,0|2,0,0]=4 3950 B11R1.180 O=C1NOC[C@H]1NCCCO 2230a_100000765999_100000230001 [0,1,0,1,0,0|2,0,0]=4 3951 B11R1.180 O=C1NOC[C@H]1NCCCO 34a_100000765999_100000230001 [0,1,0,1,0,0|2,0,0]=4 3952 B11R1.180 [13CH3]NCCCN1CCCC1=O 2230a_100000210347_200025704644 [0,1,0,1,0,0|2,0,0]=4 3953 B11R1.180 [13CH3]NCCCN1CCCC1=O 34a_100000210347_200025704644 [0,1,0,1,0,0|2,0,0]=4 3954 B11R1.180 [13CH3]OCCCN1CCCC1=O 34a_100011216539_200025704644 [0,1,0,1,0,0|2,0,0]=4 3955 B11R1.180 [13CH3]OCCCN1CCCC1=O 7a_100011216539_200025704644 [0,1,0,1,0,0|2,0,0]=4 3956 B11R1.187 CCN1CC(CC1=O)CNC 2230a_100011935115_200000210301 [0,1,0,1,0,0|2,0,0]=4 3957 B11R1.187 CCN1CC(CC1=O)CNC 34a_100011935115_200000210301 [0,1,0,1,0,0|2,0,0]=4 3958 B11R1.187 CCN1CC(CC1=O)CN[13CH3] 2230a_100011935115_200025704644 [0,1,0,1,0,0|2,0,0]=4 3959 B11R1.187 CCN1CC(CC1=O)CN[13CH3] 34a_100011935115_200025704644 [0,1,0,1,0,0|2,0,0]=4 3960 B11R1.187 CCN1CC(CC1=O)COC 34a_100000758270_200000210301 [0,1,0,1,0,0|2,0,0]=4 3961 B11R1.187 CCN1CC(CC1=O)COC 7a_100000758270_200000210301 [0,1,0,1,0,0|2,0,0]=4 3962 B11R1.187 CCN1CC(CC1=O)CO[13CH3] 34a_100000758270_200025704644 [0,1,0,1,0,0|2,0,0]=4 3963 B11R1.187 CCN1CC(CC1=O)CO[13CH3] 7a_100000758270_200025704644 [0,1,0,1,0,0|2,0,0]=4 3964 B11R1.187 CCNC1CC(=O)N(C1)CC 2230a_100015184948_100000210202 [0,1,0,1,0,0|2,0,0]=4 3965 B11R1.187 CCNC1CC(=O)N(C1)CC 34a_100015184948_100000210202 [0,1,0,1,0,0|2,0,0]=4 3966 B11R1.279 CCN1CCN(C(=O)C1)CC 2230a_100000701330_100000210202 [0,1,0,1,0,0|2,0,0]=4 3967 B11R1.279 CCN1CCN(C(=O)C1)CC 269982a_100000701330_100000204670 [0,1,0,1,0,0|2,0,0]=4 3968 B11R1.298 CCC(C(=O)C)N1CCCC1 1458a_200015187815_200000210301 [0,1,0,1,0,0|1,0,0]=3 3969 B11R1.298 CCC(C(=O)N)N1CCCC1 2230a_100000188435_100000750255 [0,1,0,1,0,0|2,0,0]=4 3970 B11R1.298 CCC(C(=O)N)N1CCCC1 269982a_100000188435_100000750255 [0,1,0,1,0,0|2,0,0]=4 3971 B11R1.298 CCC(C(=O)[13CH3])N1CCCC1 1458a_200015187815_200025704644 [0,1,0,1,0,0|1,0,0]=3 3972 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,1,0,1,0,0|1,0,1]=4 3973 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [0,1,0,1,0,0|2,0,0]=4 3974 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [0,1,0,1,0,0|2,0,0]=4 3975 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [0,1,0,1,0,0|2,0,0]=4 3976 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [0,1,0,1,0,0|2,0,0]=4 3977 B11R1.991 CC(=O)C1(CC1)SCCCF 62a_100000086384_100011934791 [0,1,0,1,0,0|2,0,0]=4 3978 B11R1.991 CC(=O)C1(CC1)SCCCF 62a_100011934791_100000086384 [0,1,0,1,0,0|2,0,0]=4 3979 B11R1.991 CC(=O)C1(CC1)SCCCO 62a_100000086384_100011215043 [0,1,0,1,0,0|2,0,0]=4 3980 B11R1.991 CC(=O)C1(CC1)SCCCO 62a_100011215043_100000086384 [0,1,0,1,0,0|2,0,0]=4 3981 B11R1.991 CCCCNC1(CC1)C(=O)N 2230a_100000687655_100000210211 [0,1,0,1,0,0|2,0,0]=4 3982 B11R1.991 CCCCNC1(CC1)C(=O)N 7a_106832991798_100010760883 [0,1,0,1,0,0|2,0,0]=4 3983 B11R1.991 CCCCNC1(CC1)C(=O)O 269956a_100000746478_100000210211 [0,1,0,1,0,0|2,0,0]=4 3984 B11R1.991 CCCCOC1(CC1)C(=O)N 34a_100000210227_100010760883 [0,1,0,1,0,0|2,0,0]=4 3985 B11R1.991 CCCCOC1(CC1)C(=O)N 7a_100000210227_100010760883 [0,1,0,1,0,0|2,0,0]=4 3986 B11R1.991 CCCCSC1(CC1)C(=O)C 62a_100000086384_100000210210 [0,1,0,1,0,0|1,0,0]=3 3987 B11R1.991 CCCCSC1(CC1)C(=O)C 62a_100000210211_100000086384 [0,1,0,1,0,0|1,0,0]=3 3988 B11R1.991 CCCCSC1(CC1)C(=O)N 62a_100000210211_100010760883 [0,1,0,1,0,0|2,0,0]=4 3989 B11R1.991 CCCCSC1(CC1)C(=O)N 62a_100010760883_100000210210 [0,1,0,1,0,0|2,0,0]=4 3990 B11R1.991 CCCNCC1(CC1)C(=O)O 269956a_100000703410_100000210207 [0,1,0,1,0,0|2,0,0]=4 3991 B11R1.991 CCCOCC1(CC1)C(=O)N 34a_100000117830_100000210303 [0,1,0,1,0,0|2,0,0]=4 3992 B11R1.991 CCCOCC1(CC1)C(=O)N 7a_100000117830_100000210303 [0,1,0,1,0,0|2,0,0]=4 3993 B11R1.991 CCNCCC1(CC1)C(=O)O 269956a_100000690630_100000210202 [0,1,0,1,0,0|2,0,0]=4 3994 B11R1.991 CCOCSC1(CC1)C(=O)C 62a_100000086384_100000739092 [0,1,0,1,0,0|2,0,0]=4 3995 B11R1.991 CCOCSC1(CC1)C(=O)C 62a_100000739092_100000086384 [0,1,0,1,0,0|2,0,0]=4 3996 B11R1.991 COCCSC1(CC1)C(=O)C 62a_100000086384_100000233755 [0,1,0,1,0,0|2,0,0]=4 3997 B11R1.991 COCCSC1(CC1)C(=O)C 62a_100000233755_100000086384 [0,1,0,1,0,0|2,0,0]=4 3998 B11R1.991 CSCCSC1(CC1)C(=O)C 62a_100000086384_100000751147 [0,1,0,1,0,0|2,0,0]=4 3999 B11R1.991 CSCCSC1(CC1)C(=O)C 62a_100000212216_100000086384 [0,1,0,1,0,0|2,0,0]=4 4000 B11R1.1035 CCCCN[C@@H](CO)C1CC1 2230a_100020623730_100000210211 [0,1,0,1,0,0|1,0,1]=4 4001 B11R1.1035 CCCCN[C@@H](CO)C1CC1 34a_100020623730_100000210210 [0,1,0,1,0,0|1,0,1]=4 4002 B11R1.1064 CCC1(CCCN1C)C(=O)O 269956a_100000695297_200000210301 [0,1,0,1,0,0|2,0,0]=4 4003 B11R1.1064 CCC1(CCCN1[13CH3])C(=O)O 269956a_100000695297_200025704644 [0,1,0,1,0,0|2,0,0]=4 4004 B11R1.1074 CC(=O)C1(CCCCC1)C#N 1458a_100000745063_200000210301 [0,1,0,1,0,0|1,0,1]=4 4005 B11R1.1074 CC(=O)C1(CCOCC1)C#N 1458a_100000754344_200000210301 [0,1,0,1,0,0|1,0,1]=4 4006 B11R1.1074 CC(=O)C1(CCOCC1)CO 1458a_100012175746_200000210301 [0,1,0,1,0,0|0,0,0]=2 4007 B11R1.1074 [13CH3]C(=O)C1(CCCCC1)C#N 1458a_100000745063_200025704644 [0,1,0,1,0,0|1,0,1]=4 4008 B11R1.1074 [13CH3]C(=O)C1(CCOCC1)C#N 1458a_100000754344_200025704644 [0,1,0,1,0,0|1,0,1]=4 4009 B11R1.1074 [13CH3]C(=O)C1(CCOCC1)CO 1458a_100012175746_200025704644 [0,1,0,1,0,0|0,0,0]=2 4010 B11R1.5 CCNC1CCCCNC1=O 2230a_100000698827_100000210202 [0,1,0,1,0,0|2,0,0]=4 4011 B11R1.5 CCNC1CCCCNC1=O 2230a_100015525214_100000735217 [0,1,0,1,0,0|2,0,0]=4 4012 B11R1.5 CCNC1CCCCNC1=O 34a_100000698827_100000210202 [0,1,0,1,0,0|2,0,0]=4 4013 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [0,1,0,1,0,0|1,0,0]=3 4014 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [0,1,0,1,0,0|1,0,0]=3 4015 B11R1.5 CCSC1CCCCNC1=O 62a_100000210202_100000735217 [0,1,0,1,0,0|2,0,0]=4 4016 B11R1.5 CCSC1CCCCNC1=O 62a_100000735217_100000210202 [0,1,0,1,0,0|2,0,0]=4 4017 B11R1.5 O=C1CCCCCC1SCF 62a_100000243696_100015361967 [0,1,0,1,0,0|1,0,0]=3 4018 B11R1.5 O=C1CCCCCC1SCF 62a_100015361967_100000243696 [0,1,0,1,0,0|1,0,0]=3 4019 B11R1.5 O=C1NCCCCC1NCF 34a_100000698827_100015361967 [0,1,0,1,0,0|2,0,0]=4 4020 B11R1.5 O=C1NCCCCC1SCF 62a_100000735217_100015361967 [0,1,0,1,0,0|2,0,0]=4 4021 B11R1.5 O=C1NCCCCC1SCF 62a_100015361967_100000735217 [0,1,0,1,0,0|2,0,0]=4 4022 B11R1.760 CCNC(C(=O)O)C1CCC1 269956a_100000765838_100000210202 [0,1,0,1,0,0|2,0,0]=4 4023 B11R1.760 O=C(O)C(NCF)C1CCC1 269956a_100000765838_100015361967 [0,1,0,1,0,0|2,0,0]=4 4024 B11R1.806 CCCN(CC1CC1)C(=O)C 11a_100000210729_100015343762 [0,1,0,1,0,0|2,0,0]=4 4025 B11R1.806 CCCN(CC1CC1)C(=O)C 1626a_100000210729_100015343762 [0,1,0,1,0,0|2,0,0]=4 4026 B11R1.806 CCCN(CC1CC1)C(=O)C 240690a_100000210729_100015343762 [0,1,0,1,0,0|2,0,0]=4 4027 B11R1.806 CCCN(CC1CC1)C(=O)C 527a_100000210729_100103153847 [0,1,0,1,0,0|2,0,0]=4 4028 B11R1.806 COC[C@@H](NC1CC1)C(=O)O 269956a_100011998655_100000211595 [0,1,0,1,0,0|2,0,0]=4 4029 B11R1.1239 CCNC1(CCCC1)C(=O)N 2230a_100000755618_100000210202 [0,1,0,1,0,0|2,0,0]=4 4030 B11R1.1239 CCNC1(CCCC1)C(=O)N 34a_100000755618_100000210202 [0,1,0,1,0,0|2,0,0]=4 4031 B11R1.1239 CCNC1(CCCC1)C(=O)O 269956a_100000739329_100000210202 [0,1,0,1,0,0|2,0,0]=4 4032 B11R1.1239 CNCC1(CCCC1)C(=O)O 269956a_100000695985_200000210301 [0,1,0,1,0,0|2,0,0]=4 4033 B11R1.1239 NC(=O)C1(CCCC1)NCF 34a_100000755618_100015361967 [0,1,0,1,0,0|2,0,0]=4 4034 B11R1.1239 O=C(O)C1(CCCC1)NCF 269956a_100000739329_100015361967 [0,1,0,1,0,0|2,0,0]=4 4035 B11R1.1239 [13CH3]NCC1(CCCC1)C(=O)O 269956a_100000695985_200025704644 [0,1,0,1,0,0|2,0,0]=4 4036 B11R1.156 CC(=O)N1C(CCCC1C)C 11a_100000210447_100015343762 [0,1,0,1,0,0|2,0,0]=4 4037 B11R1.156 CC(=O)N1C(CCCC1C)C 240690a_100000210447_100015343762 [0,1,0,1,0,0|2,0,0]=4 4038 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,1,0,1,0,0|1,0,1]=4 4039 B11R1.199 CCCN(C)C1CCCC1=O 2230a_100000747261_100000211823 [0,1,0,1,0,0|2,0,0]=4 4040 B11R1.199 CCCN(C)C1CCCC1=O 269982a_100000747261_100000211823 [0,1,0,1,0,0|2,0,0]=4 4041 B11R1.835 CCCC(=O)C1(CC1)C(=O)C 1458a_100000211992_100000086384 [0,1,0,1,0,0|1,0,1]=4 4042 B11R1.835 CCCN(C)C1(CC1)C(=O)C 269982a_100000747261_100000086384 [0,1,0,1,0,0|2,0,0]=4 4043 B11R1.1021 CCN(C(=O)C)C(C)C1CC1 11a_200000232609_100015343762 [0,1,0,1,0,0|2,0,0]=4 4044 B11R1.1021 CCN(C(=O)C)C(C)C1CC1 1626a_200000232609_100015343762 [0,1,0,1,0,0|2,0,0]=4 4045 B11R1.1021 CCN(C(=O)C)C(C)C1CC1 240690a_200000232609_100015343762 [0,1,0,1,0,0|2,0,0]=4 4046 B11R1.1021 CCN(C(=O)C)C(C)C1CC1 527a_200000232609_100103153847 [0,1,0,1,0,0|2,0,0]=4 4047 B11R1.1021 CN(C1CC1)[C@@H](CO)C(=O)O 269956a_100015362447_100000211595 [0,1,0,1,0,0|2,0,0]=4 4048 B11R1.220 CC(=O)C1(CCN(CC1)C)O 1458a_100015186493_200000210301 [0,1,0,1,0,0|2,0,0]=4 4049 B11R1.220 CN1CCC(CC1)(O)C(=O)[13CH3] 1458a_100015186493_200025704644 [0,1,0,1,0,0|2,0,0]=4 4050 B11R2.115 O=C1CCCC1NC2CC2 34a_100000212008_100000709159 [0,0,0,2,0,0|2,0,0]=4 4051 B11R2.115 O=C1CCCC1OC2CC2 34a_200000719330_100000211595 [0,0,0,2,0,0|2,0,0]=4 4052 B11R2.115 O=C1CCCC1SC2CC2 62a_100000211823_100000211595 [0,0,0,2,0,0|2,0,0]=4 4053 B11R2.115 O=C1NOC[C@H]1NC2CC2 34a_100000765999_100000211595 [0,0,0,2,0,0|2,0,0]=4 4054 B11R2.459 O=C1CCCC1N2CCC2 269982a_100000754969_100000211823 [0,0,0,2,0,0|2,0,0]=4 4055 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000070787_100000727232 [0,0,0,2,0,0|1,0,0]=3 4056 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000181847_200000210301 [0,0,0,2,0,0|1,0,0]=3 4057 B11R2.845 CC(=O)N1CC2CCC1C2 11a_100000743476_100015343762 [0,0,0,2,0,0|2,0,0]=4 4058 B11R2.845 CC(=O)N1CC2CCC1C2 1626a_100000743476_100015343762 [0,0,0,2,0,0|2,0,0]=4 4059 B11R2.845 CC(=O)N1CC2CCC1C2 240690a_100000743476_100015343762 [0,0,0,2,0,0|2,0,0]=4 4060 B11R2.845 CC(=O)N1CC2CCC1C2 527a_100000743476_100103153847 [0,0,0,2,0,0|2,0,0]=4 4061 B11R2.845 [13CH3]C(=O)C1CC2CCC1C2 1458a_100000181847_200025704644 [0,0,0,2,0,0|1,0,0]=3 4062 B11R2.1868 CC(=O)N1CCC2(C1)CC2 11a_100000697357_100015343762 [0,0,0,2,0,0|2,0,0]=4 4063 B11R2.1868 CC(=O)N1CCC2(C1)CC2 1626a_100000697357_100015343762 [0,0,0,2,0,0|2,0,0]=4 4064 B11R2.1868 CC(=O)N1CCC2(C1)CC2 240690a_100000697357_100015343762 [0,0,0,2,0,0|2,0,0]=4 4065 B11R2.1868 CC(=O)N1CCC2(C1)CC2 527a_100000697357_100103153847 [0,0,0,2,0,0|2,0,0]=4 4066 B11R2.1852 CC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200000210301 [0,0,0,2,0,0|1,0,0]=3 4067 B11R2.1852 [13CH3]C(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200025704644 [0,0,0,2,0,0|1,0,0]=3 4068 B11R2.1876 CC(=O)C1(CC1)N2CCC2 269982a_100000754969_100000086384 [0,0,0,2,0,0|2,0,0]=4 4069 B11R2.1882 CC(=O)C1(CC1)SC2CC2 62a_100000086384_100000211595 [0,0,0,2,0,0|2,0,0]=4 4070 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000207549_100000748629 [1,0,0,0,0,1|2,0,0]=4 4071 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000225649_100000210211 [1,0,0,0,0,1|2,0,0]=4 4072 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000207549_100000748629 [1,0,0,0,0,1|2,0,0]=4 4073 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000225649_100000210211 [1,0,0,0,0,1|2,0,0]=4 4074 B9R0.4 CC(=O)OC(C)SCCF 62a_100009818208_100011217306 [1,0,0,0,0,1|2,0,0]=4 4075 B9R0.4 CC(=O)OC(C)SCCF 62a_100011217306_100009818208 [1,0,0,0,0,1|2,0,0]=4 4076 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [1,0,0,0,0,1|2,0,0]=4 4077 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [1,0,0,0,0,1|2,0,0]=4 4078 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [1,0,0,0,0,1|0,0,0]=2 4079 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [1,0,0,0,0,1|0,0,0]=2 4080 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [1,0,0,0,0,1|0,0,0]=2 4081 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [1,0,0,0,0,1|0,0,0]=2 4082 B9R0.4 CCCCC(C)NC(C)C 2230a_100000126638_100000210206 [1,0,0,0,0,1|1,0,1]=4 4083 B9R0.4 CCCCC(C)NC(C)C 2230a_100138425928_200011215066 [1,0,0,0,0,1|1,0,1]=4 4084 B9R0.4 CCCCC(C)NC(C)C 34a_100138425928_200011215066 [1,0,0,0,0,1|1,0,1]=4 4085 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [1,0,0,0,0,1|1,0,1]=4 4086 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [1,0,0,0,0,1|1,0,1]=4 4087 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [1,0,0,0,0,1|1,0,1]=4 4088 B9R0.4 CCCCC(C)SC(C)C 62a_100000210206_200011215066 [1,0,0,0,0,1|1,0,1]=4 4089 B9R0.4 CCCCC(C)SC(C)C 62a_200011215066_100000210206 [1,0,0,0,0,1|1,0,1]=4 4090 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [1,0,0,0,0,1|2,0,0]=4 4091 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [1,0,0,0,0,1|2,0,0]=4 4092 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [1,0,0,0,0,1|2,0,0]=4 4093 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [1,0,0,0,0,1|2,0,0]=4 4094 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [1,0,0,0,0,1|2,0,0]=4 4095 B9R0.4 CCCOC(C)C=C(C)C 34a_100000717055_100000210303 [1,0,0,0,0,1|2,0,0]=4 4096 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [1,0,0,0,0,1|1,0,0]=3 4097 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [1,0,0,0,0,1|1,0,0]=3 4098 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [1,0,0,0,0,1|2,0,0]=4 4099 B9R0.4 COCSC(C)OC(=O)C 62a_100000766300_100009818208 [1,0,0,0,0,1|2,0,0]=4 4100 B9R0.4 COCSC(C)OC(=O)C 62a_100009818208_100000766300 [1,0,0,0,0,1|2,0,0]=4 4101 B9R0.4 CSCSC(C)OC(=O)C 62a_100009818208_100011218213 [1,0,0,0,0,1|2,0,0]=4 4102 B9R0.4 CSCSC(C)OC(=O)C 62a_100011218213_100009818208 [1,0,0,0,0,1|2,0,0]=4 4103 B9R0.14 C=CC[C@H](CO)NC(=O)C 240690a_100020615467_100015343762 [1,0,0,0,0,1|0,0,2]=4 4104 B9R0.14 C=CC[C@H](CO)NC(=O)C 527a_100020615467_100103153847 [1,0,0,0,0,1|0,0,2]=4 4105 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [1,0,0,0,0,1|2,0,0]=4 4106 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [1,0,0,0,0,1|2,0,0]=4 4107 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [1,0,0,0,0,1|2,0,0]=4 4108 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [1,0,0,0,0,1|2,0,0]=4 4109 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [1,0,0,0,0,1|1,0,0]=3 4110 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [1,0,0,0,0,1|1,0,0]=3 4111 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [1,0,0,0,0,1|1,0,0]=3 4112 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [1,0,0,0,0,1|1,0,0]=3 4113 B9R0.14 CCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210207 [1,0,0,0,0,1|2,0,0]=4 4114 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [1,0,0,0,0,1|0,0,0]=2 4115 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [1,0,0,0,0,1|0,0,0]=2 4116 B9R0.14 CCC[C@@H](CO)NC(C)C 2230a_100000732646_100000210206 [1,0,0,0,0,1|1,0,1]=4 4117 B9R0.14 CCC[C@@H](CO)NC(C)C 34a_100000732646_100000210206 [1,0,0,0,0,1|1,0,1]=4 4118 B9R0.14 CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210202 [1,0,0,0,0,1|2,0,0]=4 4119 B9R0.14 COCC(CO)NC(=O)C 240690a_100000724102_100015343762 [1,0,0,0,0,1|1,0,0]=3 4120 B9R0.14 COCC(CO)NC(=O)C 527a_100000724102_100103153847 [1,0,0,0,0,1|1,0,0]=3 4121 B11R0.164 C=C(C)CN[C@H](CO)CCCC 2230a_100011934283_100000748629 [0,0,0,0,0,2|1,0,0]=3 4122 B11R0.164 C=C(C)CN[C@H](CO)CCCC 34a_100011934283_100000748629 [0,0,0,0,0,2|1,0,0]=3 4123 B11R0.164 C=C(C)CN[C@H](CO)CCSC 2230a_100011827619_100000748629 [0,0,0,0,0,2|2,0,0]=4 4124 B11R0.164 C=C(C)COC(CC)CCCC 34a_100000210245_200011216223 [0,0,0,0,0,2|2,0,0]=4 4125 B11R0.164 C=C(C)COC(CC)CCCC 34a_100011215227_100000748629 [0,0,0,0,0,2|2,0,0]=4 4126 B11R0.164 C=C(C)COC(CC)CCCC 7a_100011215227_100000748629 [0,0,0,0,0,2|2,0,0]=4 4127 B11R0.164 C=C(C)CSC(CC)CCCC 62a_100000748629_200011216223 [0,0,0,0,0,2|2,0,0]=4 4128 B11R0.164 C=C(C)CSC(CC)CCCC 62a_200011216223_100000211660 [0,0,0,0,0,2|2,0,0]=4 4129 B11R0.164 C=C(F)CN[C@H](CO)CCCC 2230a_100011934283_100009893438 [0,0,0,0,0,2|1,0,1]=4 4130 B11R0.164 C=C(F)CN[C@H](CO)CCCC 34a_100011934283_100009893438 [0,0,0,0,0,2|1,0,1]=4 4131 B11R0.164 CCCCC(=NNC(=O)C)CC 4a_100000189765_100000753412 [0,0,0,0,0,2|1,0,1]=4 4132 B11R0.164 CCCCC(CC)CCC(=O)C 1458a_100011216959_200000210301 [0,0,0,0,0,2|1,0,0]=3 4133 B11R0.164 CCCCC(CC)CCC(=O)[13CH3] 1458a_100011216959_200025704644 [0,0,0,0,0,2|1,0,0]=3 4134 B11R0.164 CCCCC(CC)CNC(=O)C 11a_100000209976_100015343762 [0,0,0,0,0,2|1,0,0]=3 4135 B11R0.164 CCCCC(CC)CNC(=O)C 1626a_100000209976_100015343762 [0,0,0,0,0,2|1,0,0]=3 4136 B11R0.164 CCCCC(CC)CNC(=O)C 240690a_100000209976_100015343762 [0,0,0,0,0,2|1,0,0]=3 4137 B11R0.164 CCCCC(CC)CNC(=O)C 527a_100000209976_100103153847 [0,0,0,0,0,2|1,0,0]=3 4138 B11R0.164 CCCCC(CC)NCC(=O)O 269956a_100016091260_200011216223 [0,0,0,0,0,2|2,0,0]=4 4139 B11R0.164 CCCCC(CC)OCC(=O)C 34a_100000211253_200011216223 [0,0,0,0,0,2|1,0,0]=3 4140 B11R0.164 CCCCC(CC)OCC(=O)N 34a_100011215227_100000187820 [0,0,0,0,0,2|2,0,0]=4 4141 B11R0.164 CCCCC(CC)OCC(=O)N 7a_100011215227_100000187820 [0,0,0,0,0,2|2,0,0]=4 4142 B11R0.164 CCCCC(CC)OCC(=O)[O-] 34a_100011215227_100020667443 [0,0,0,0,0,2|2,0,0]=4 4143 B11R0.164 CCCCC(CC)SCC(=O)N 62a_100000747473_200011216223 [0,0,0,0,0,2|2,0,0]=4 4144 B11R0.164 CCCCC(CC)SCC(=O)N 62a_200011216223_100000747473 [0,0,0,0,0,2|2,0,0]=4 4145 B11R0.164 CCCCC(CC)SCC(=O)[O-] 62a_100020667443_200011216223 [0,0,0,0,0,2|2,0,0]=4 4146 B11R0.164 CCCCC(CC)SCC(=O)[O-] 62a_200011216223_100020667443 [0,0,0,0,0,2|2,0,0]=4 4147 B11R0.164 CCCCN(CC)CCC(=O)C 269982a_100000207695_100000053229 [0,0,0,0,0,2|2,0,0]=4 4148 B11R0.164 CCCCN(CC)COC(=O)C 269982a_100000207695_100000076356 [0,0,0,0,0,2|2,0,0]=4 4149 B11R0.164 CCCC[C@@H](CO)NCC(=O)N 2230a_100011934283_100000747473 [0,0,0,0,0,2|1,0,0]=3 4150 B11R0.164 CCCC[C@@H](CO)NCC(=O)N 34a_100011934283_100000187820 [0,0,0,0,0,2|1,0,0]=3 4151 B11R0.164 CCCC[C@@H](CO)NCC(=O)[O-] 34a_100011934283_100020667443 [0,0,0,0,0,2|1,0,0]=3 4152 B11R0.164 CCCC[C@@H](CO)NCC(C)C 2230a_100011934283_100000210760 [0,0,0,0,0,2|1,0,1]=4 4153 B11R0.164 CCCC[C@@H](CO)NCC(C)C 270004a_100011934283_100000210432 [0,0,0,0,0,2|1,0,1]=4 4154 B11R0.164 CCCC[C@@H](CO)NCC(C)C 34a_100011934283_100000210624 [0,0,0,0,0,2|1,0,1]=4 4155 B11R0.164 CCCC[C@@H](CO)NCC(C)O 2230a_100011934283_100011218427 [0,0,0,0,0,2|0,0,2]=4 4156 B11R0.164 CCCC[C@@H](CO)NCC(C)O 34a_100011934283_100011218427 [0,0,0,0,0,2|0,0,2]=4 4157 B11R0.164 CCCC[C@@H](CO)NC[C@@H](C)O 2230a_100011934283_100009817552 [0,0,0,0,0,2|0,0,2]=4 4158 B11R0.164 CCCC[C@@H](CO)NC[C@@H](C)O 34a_100011934283_100009817552 [0,0,0,0,0,2|0,0,2]=4 4159 B11R0.164 CCCC[C@@H](CO)NC[N+](=O)[O-] 34a_100011934283_100000761209 [0,0,0,0,0,2|2,0,0]=4 4160 B11R0.164 CCCOC(CCl)COC(=O)C 7a_200000139349_100000210303 [0,0,0,0,0,2|2,0,0]=4 4161 B11R0.164 CSCC[C@@H](CO)NCC(=O)N 2230a_100011827619_100000747473 [0,0,0,0,0,2|2,0,0]=4