0 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,0,0,0|1,0,2]=4 7 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,0,0,0|1,0,2]=4 8 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,0,0,0|1,0,0]=2 10 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,0,0,0|1,0,2]=4 29 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,0,0,0|1,0,2]=4 30 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.411 CC1(CCCC1)C(=O)CF 1458a_100000239728_100015361967 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.411 CC1(CCCO1)C(=O)CF 1458a_100000684770_100015361967 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.411 CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210202 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.411 CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210202 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.411 CCC(=O)C1(CCCO1)C 1458a_100000684770_100000210202 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.411 CNC(=O)C1(CCCC1)C 11a_106832991635_100000239728 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.411 CNC(=O)C1(CCCC1)C 1626a_100102657272_100000239728 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.411 CNC(=O)C1(CCCC1)C 240690a_100102657272_100000239728 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.411 CNC(=O)C1(CCCC1)C 527a_100102657272_100000239728 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.411 CNC(=O)C1(CCCC1)O 240690a_100102657272_100000242637 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.411 CNC(=O)C1(CCCC1)O 527a_100102657272_100000242637 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.411 CNC(=O)C1(CCCO1)C 11a_106832991635_100000684770 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.411 CNC(=O)C1(CCCO1)C 1626a_100102657272_100000684770 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.411 CNC(=O)C1(CCCO1)C 240690a_100102657272_100000684770 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.411 CNC(=O)C1(CCCO1)C 527a_100102657272_100000684770 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.411 O=C(CF)C1(CCCC1)O 1458a_100000242637_100015361967 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.470 CC(=O)C1(CCN(C1)C)C 1458a_100011814562_200000210301 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.470 CN1CCC(C1)(C)C(=O)[13CH3] 1458a_100011814562_200025704644 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.477 CC(=O)C1(CCCC1)C#N 1458a_100000209868_200000210301 [0,1,0,0,0,0|1,0,1]=3 59 B10R1.477 CNC1(CCCC1)C(=O)N 2230a_100000755618_200000210301 [0,1,0,0,0,0|1,0,0]=2 60 B10R1.477 CNC1(CCCC1)C(=O)N 34a_100000755618_200000210301 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.477 CNC1(CCCC1)C(=O)O 269956a_100000739329_200000210301 [0,1,0,0,0,0|0,0,0]=1 62 B10R1.477 [13CH3]C(=O)C1(CCCC1)C#N 1458a_100000209868_200025704644 [0,1,0,0,0,0|1,0,1]=3 63 B10R1.477 [13CH3]NC1(CCCC1)C(=O)N 2230a_100000755618_200025704644 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.477 [13CH3]NC1(CCCC1)C(=O)N 34a_100000755618_200025704644 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.477 [13CH3]NC1(CCCC1)C(=O)O 269956a_100000739329_200025704644 [0,1,0,0,0,0|0,0,0]=1 66 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,0,1,0,0,0|3,0,0]=4 67 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,0,1,0,0,0|2,0,0]=3 68 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,0,1,0,0,0|2,0,0]=3 69 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,0,1,0,0,0|2,0,0]=3 70 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,0,1,0,0,0|2,0,0]=3 71 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,0,1,0,0,0|2,0,0]=3 72 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,0,1,0,0,0|3,0,0]=4 73 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,0,1,0,0,0|3,0,0]=4 74 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,0,1,0,0,0|3,0,0]=4 75 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,0,1,0,0,0|3,0,0]=4 76 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,0,1,0,0,0|2,0,0]=3 77 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,0,1,0,0,0|3,0,0]=4 78 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,0,1,0,0,0|3,0,0]=4 79 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,0,1,0,0,0|3,0,0]=4 80 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,0,1,0,0,0|3,0,0]=4 81 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,0,1,0,0,0|3,0,0]=4 82 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,0,1,0,0,0|2,0,1]=4 83 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,0,1,0,0,0|2,0,1]=4 84 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,0,1,0,0,0|3,0,0]=4 85 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,0,1,0,0,0|3,0,0]=4 86 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,0,1,0,0,0|3,0,0]=4 87 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,0,1,0,0,0|3,0,0]=4 88 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,0,1,0,0,0|3,0,0]=4 89 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,0,1,0,0,0|3,0,0]=4 90 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,0,1,0,0,0|3,0,0]=4 91 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,0,1,0,0,0|3,0,0]=4 92 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,0,1,0,0,0|2,0,1]=4 93 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,0,1,0,0,0|2,0,1]=4 94 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,0,1,0,0,0|2,0,0]=3 95 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,0,1,0,0,0|2,0,0]=3 96 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,0,1,0,0,0|3,0,0]=4 97 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,0,1,0,0,0|3,0,0]=4 98 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,0,1,0,0,0|2,0,0]=3 99 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,0,1,0,0,0|3,0,0]=4 100 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,0,1,0,0,0|3,0,0]=4 101 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,0,1,0,0,0|3,0,0]=4 102 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,0,1,0,0,0|3,0,0]=4 103 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,0,1,0,0,0|3,0,0]=4 104 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,0,1,0,0,0|3,0,0]=4 105 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [0,0,1,0,0,0|3,0,0]=4 106 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,0,1,0,0,0|3,0,0]=4 107 B8R0.12 CC(C)(CN[13CH3])C(=O)N 2230a_100000740840_200025704644 [0,0,1,0,0,0|3,0,0]=4 108 B8R0.12 CC(C)(CN[13CH3])C(=O)N 34a_100000740840_200025704644 [0,0,1,0,0,0|3,0,0]=4 109 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,0,1,0,0,0|2,0,0]=3 110 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200009895572_200025704644 [0,0,1,0,0,0|3,0,0]=4 111 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200025704644_200009895572 [0,0,1,0,0,0|3,0,0]=4 112 B8R0.12 CC(C)(ON[13CH3])C(=O)O 269956a_100016989451_200025704644 [0,0,1,0,0,0|3,0,0]=4 113 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,0,1,0,0,0|2,0,0]=3 114 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,0,1,0,0,0|2,0,0]=3 115 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [0,0,1,0,0,0|3,0,0]=4 116 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [0,0,1,0,0,0|3,0,0]=4 117 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [0,0,1,0,0,0|3,0,0]=4 118 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,0,1,0,0,0|3,0,0]=4 119 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,0,1,0,0,0|3,0,0]=4 120 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,0,1,0,0,0|3,0,0]=4 121 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,0,1,0,0,0|3,0,0]=4 122 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,0,1,0,0,0|3,0,0]=4 123 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,0,1,0,0,0|3,0,0]=4 124 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,0,1,0,0,0|3,0,0]=4 125 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,0,1,0,0,0|3,0,0]=4 126 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,0,1,0,0,0|3,0,0]=4 127 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000210202_100000702505 [0,0,1,0,0,0|3,0,0]=4 128 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000702505_100000210202 [0,0,1,0,0,0|3,0,0]=4 129 B8R0.12 CNCC(C)(C)C(=O)N 2230a_100000740840_200000210301 [0,0,1,0,0,0|3,0,0]=4 130 B8R0.12 CNCC(C)(C)C(=O)N 34a_100000740840_200000210301 [0,0,1,0,0,0|3,0,0]=4 131 B8R0.12 CNCC(C)(C)C(=O)N 34a_100102657272_200009895572 [0,0,1,0,0,0|3,0,0]=4 132 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,0,1,0,0,0|2,0,0]=3 133 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,0,1,0,0,0|3,0,0]=4 134 B8R0.12 CNOC(C)(C)C(=O)O 269956a_100016989451_200000210301 [0,0,1,0,0,0|3,0,0]=4 135 B8R0.12 COCC(C)(C)C(=O)N 34a_100138415774_200009895572 [0,0,1,0,0,0|3,0,0]=4 136 B8R0.12 CSCC(C)(C)C(=O)N 62a_200000210301_200009895572 [0,0,1,0,0,0|3,0,0]=4 137 B8R0.12 CSCC(C)(C)C(=O)N 62a_200009895572_200000210301 [0,0,1,0,0,0|3,0,0]=4 138 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,0,1,0,0,0|3,0,0]=4 139 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000070787_100009817345 [0,0,1,0,0,0|2,0,0]=3 140 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000760562_200000210301 [0,0,1,0,0,0|2,0,0]=3 141 B8R0.36 CCC(C)(CC)C(=O)[13CH3] 1458a_100000760562_200025704644 [0,0,1,0,0,0|2,0,0]=3 142 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,0,1,0,0,0|2,0,0]=3 143 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,0,1,0,0,0|2,0,0]=3 144 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,0,0,0,1,0|2,0,0]=3 145 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,0,0,0,1,0|2,0,0]=3 146 B8R1.78 CC(=O)C1(COC1)C 1458a_100000094709_200000210301 [0,0,0,0,1,0|3,0,0]=4 147 B8R1.78 CC(=O)C1(COC1)O 1458a_100010273515_200000210301 [0,0,0,0,1,0|3,0,0]=4 148 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,0,0,0,1,0|2,0,0]=3 149 B8R1.78 CC1(COC1)C(=O)[13CH3] 1458a_100000094709_200025704644 [0,0,0,0,1,0|3,0,0]=4 150 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,0,0,0,1,0|2,0,0]=3 151 B8R1.78 [13CH3]C(=O)C1(COC1)O 1458a_100010273515_200025704644 [0,0,0,0,1,0|3,0,0]=4 152 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,0,0,0,0,1|2,0,0]=3 153 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,0,0,0,0,1|2,0,0]=3 154 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,0,0,0,0,1|2,0,0]=3 155 B10R1.363 CC(=O)C1(CCOCC1)C 1458a_100000749465_200000210301 [0,0,0,0,0,1|2,0,0]=3 156 B10R1.363 CC(=O)C1(CCOCC1)F 1458a_100009845733_200000210301 [0,0,0,0,0,1|2,0,0]=3 157 B10R1.363 CC(=O)C1(CCOCC1)O 1458a_100000751969_200000210301 [0,0,0,0,0,1|2,0,0]=3 158 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,0,0,0,0,1|2,0,0]=3 159 B10R1.363 CC1(CCOCC1)C(=O)[13CH3] 1458a_100000749465_200025704644 [0,0,0,0,0,1|2,0,0]=3 160 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,0,0,0,0,1|2,0,0]=3 161 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,0,0,0,0,1|2,0,0]=3 162 B10R1.363 [13CH3]C(=O)C1(CCOCC1)F 1458a_100009845733_200025704644 [0,0,0,0,0,1|2,0,0]=3 163 B10R1.363 [13CH3]C(=O)C1(CCOCC1)O 1458a_100000751969_200025704644 [0,0,0,0,0,1|2,0,0]=3 164 B10R1.370 CC(=O)NC1(CCOC1)C 11a_100000693475_100015343762 [0,0,0,0,0,1|3,0,0]=4 165 B10R1.370 CC(=O)NC1(CCOC1)C 1626a_100000693475_100015343762 [0,0,0,0,0,1|3,0,0]=4 166 B10R1.370 CC(=O)NC1(CCOC1)C 240690a_100000693475_100015343762 [0,0,0,0,0,1|3,0,0]=4 167 B10R1.370 CC(=O)NC1(CCOC1)C 527a_100000693475_100103153847 [0,0,0,0,0,1|3,0,0]=4 168 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [1,0,1,0,0,0|2,0,0]=4 169 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,1,0,0,0|2,0,0]=4 170 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,1,0,0,0|2,0,0]=4 171 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,1,0,0,0|2,0,0]=4 172 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,1,0,0,0|2,0,0]=4 173 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,1,0,0,0|2,0,0]=4 174 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,1,0,0,0|2,0,0]=4 175 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,1,0,0,0|2,0,0]=4 176 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,1,0,0,0|1,0,0]=3 177 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,1,0,0,0|1,0,0]=3 178 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,1,0,0,0|1,0,0]=3 179 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,1,0,0,0|2,0,0]=4 180 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,1,0,0,0|2,0,0]=4 181 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,1,0,0,0|2,0,0]=4 182 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,1,0,0,0|2,0,0]=4 183 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,1,0,0,0|2,0,0]=4 184 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,1,0,0,0|1,0,0]=3 185 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,1,0,0,0|2,0,0]=4 186 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,1,0,0,0|2,0,0]=4 187 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,1,0,0,0|2,0,0]=4 188 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,1,0,0,0|2,0,0]=4 189 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,1,0,0,0|1,0,1]=4 190 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,1,0,0,0|2,0,0]=4 191 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,1,0,0,0|2,0,0]=4 192 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,1,0,0,0|2,0,0]=4 193 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,1,0,0,0|2,0,0]=4 194 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,1,0,0,0|1,0,1]=4 195 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,1,0,0,0|1,0,1]=4 196 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,1,0,0,0|2,0,0]=4 197 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,1,0,0,0|2,0,0]=4 198 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,1,0,0,0|2,0,0]=4 199 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,1,0,0,0|2,0,0]=4 200 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,1,0,0,0|2,0,0]=4 201 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,1,0,0,0|2,0,0]=4 202 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,1,0,0,0|2,0,0]=4 203 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,1,0,0,0|2,0,0]=4 204 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,1,0,0,0|2,0,0]=4 205 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,1,0,0,0|2,0,0]=4 206 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,1,0,0,0|2,0,0]=4 207 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,1,0,0,0|2,0,0]=4 208 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,1,0,0,0|2,0,0]=4 209 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,1,0,0,0|2,0,0]=4 210 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,1,0,0,0|2,0,0]=4 211 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,1,0,0,0|2,0,0]=4 212 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,1,0,0,0|2,0,0]=4 213 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,1,0,0,0|2,0,0]=4 214 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,1,0,0,0|2,0,0]=4 215 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,1,0,0,0|2,0,0]=4 216 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,1,0,0,0|2,0,0]=4 217 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,1,0,0,0|2,0,0]=4 218 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,1,0,0,0|2,0,0]=4 219 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,1,0,0,0|2,0,0]=4 220 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,1,0,0,0|2,0,0]=4 221 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,1,0,0,0|2,0,0]=4 222 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,1,0,0,0|2,0,0]=4 223 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,1,0,0,0|2,0,0]=4 224 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,1,0,0,0|2,0,0]=4 225 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,1,0,0,0|2,0,0]=4 226 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,1,0,0,0|2,0,0]=4 227 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,1,0,0,0|2,0,0]=4 228 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,1,0,0,0|2,0,0]=4 229 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,1,0,0,0|2,0,0]=4 230 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,1,0,0,0|2,0,0]=4 231 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,1,0,0,0|2,0,0]=4 232 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,1,0,0,0|2,0,0]=4 233 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,1,0,0,0|2,0,0]=4 234 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,1,0,0,0|2,0,0]=4 235 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,1,0,0,0|2,0,0]=4 236 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,1,0,0,0|2,0,0]=4 237 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,1,0,0,0|2,0,0]=4 238 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,1,0,0,0|2,0,0]=4 239 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,0,1,0,0,0|2,0,0]=4 240 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,0,1,0,0,0|2,0,0]=4 241 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,0,1,0,0,0|2,0,0]=4 242 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,1,0,0,0|1,0,0]=3 243 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,1,0,0,0|1,0,0]=3 244 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,1,0,0,0|1,0,0]=3 245 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,1,0,0,0|1,0,0]=3 246 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 247 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 248 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 249 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,1,0,0,0|2,0,0]=4 250 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,1,0,0,0|2,0,0]=4 251 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,1,0,0,0|2,0,0]=4 252 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,0,1,0,0,0|2,0,0]=4 253 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,0,1,0,0,0|2,0,0]=4 254 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,1,0,0,0|1,0,0]=3 255 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,0,1,0,0,0|2,0,0]=4 256 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,0,1,0,0,0|2,0,0]=4 257 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,0,1,0,0,0|2,0,0]=4 258 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,0,1,0,0,0|2,0,0]=4 259 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,0,1,0,0,0|2,0,0]=4 260 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,0,1,0,0,0|2,0,0]=4 261 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,0,1,0,0,0|1,0,1]=4 262 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,0,1,0,0,0|2,0,0]=4 263 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,0,1,0,0,0|2,0,0]=4 264 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,0,1,0,0,0|2,0,0]=4 265 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,0,1,0,0,0|2,0,0]=4 266 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,0,1,0,0,0|2,0,0]=4 267 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,0,1,0,0,0|2,0,0]=4 268 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,0,1,0,0,0|2,0,0]=4 269 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,0,1,0,0,0|2,0,0]=4 270 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,1,0,0,0|1,0,0]=3 271 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,1,0,0,0|2,0,0]=4 272 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,0,1,0,0,0|2,0,0]=4 273 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,0,1,0,0,0|2,0,0]=4 274 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,0,1,0,0,0|2,0,0]=4 275 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,0,1,0,0,0|2,0,0]=4 276 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,0,1,0,0,0|2,0,0]=4 277 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [1,0,1,0,0,0|2,0,0]=4 278 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,0,1,0,0,0|2,0,0]=4 279 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,0,1,0,0,0|2,0,0]=4 280 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,0,1,0,0,0|2,0,0]=4 281 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,1,0,0,0|2,0,0]=4 282 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [1,0,1,0,0,0|2,0,0]=4 283 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [1,0,1,0,0,0|2,0,0]=4 284 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [1,0,1,0,0,0|2,0,0]=4 285 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [1,0,1,0,0,0|2,0,0]=4 286 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [1,0,1,0,0,0|2,0,0]=4 287 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,0,1,0,0,0|1,0,0]=3 288 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,0,1,0,0,0|1,0,0]=3 289 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,0,1,0,0,0|1,0,0]=3 290 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [1,0,1,0,0,0|2,0,0]=4 291 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [1,0,1,0,0,0|2,0,0]=4 292 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [1,0,1,0,0,0|2,0,0]=4 293 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [1,0,1,0,0,0|2,0,0]=4 294 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [1,0,1,0,0,0|2,0,0]=4 295 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [1,0,1,0,0,0|2,0,0]=4 296 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [1,0,1,0,0,0|2,0,0]=4 297 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,0,1,0,0,0|2,0,0]=4 298 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [1,0,1,0,0,0|2,0,0]=4 299 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,0,1,0,0,0|2,0,0]=4 300 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [1,0,1,0,0,0|2,0,0]=4 301 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [1,0,1,0,0,0|2,0,0]=4 302 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [1,0,1,0,0,0|2,0,0]=4 303 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [1,0,1,0,0,0|2,0,0]=4 304 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 305 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 306 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 307 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [1,0,1,0,0,0|2,0,0]=4 308 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,0,1,0,0,0|1,0,0]=3 309 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,0,1,0,0,0|1,0,0]=3 310 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [1,0,1,0,0,0|2,0,0]=4 311 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [1,0,1,0,0,0|2,0,0]=4 312 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [2,0,0,0,0,0|2,0,0]=4 313 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [2,0,0,0,0,0|2,0,0]=4 314 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [2,0,0,0,0,0|2,0,0]=4 315 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [2,0,0,0,0,0|2,0,0]=4 316 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [2,0,0,0,0,0|2,0,0]=4 317 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [2,0,0,0,0,0|2,0,0]=4 318 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [2,0,0,0,0,0|2,0,0]=4 319 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [2,0,0,0,0,0|2,0,0]=4 320 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [2,0,0,0,0,0|2,0,0]=4 321 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [2,0,0,0,0,0|2,0,0]=4 322 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [2,0,0,0,0,0|2,0,0]=4 323 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [2,0,0,0,0,0|2,0,0]=4 324 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [2,0,0,0,0,0|2,0,0]=4 325 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [2,0,0,0,0,0|2,0,0]=4 326 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [2,0,0,0,0,0|2,0,0]=4 327 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [2,0,0,0,0,0|2,0,0]=4 328 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [2,0,0,0,0,0|2,0,0]=4 329 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,1,1,0,0,0|2,0,0]=4 330 B9R0.6 CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210202 [0,1,1,0,0,0|2,0,0]=4 331 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,1,1,0,0,0|2,0,0]=4 332 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,1,1,0,0,0|2,0,0]=4 333 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,1,1,0,0,0|2,0,0]=4 334 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,1,1,0,0,0|2,0,0]=4 335 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,1,1,0,0,0|2,0,0]=4 336 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,1,1,0,0,0|2,0,0]=4 337 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,1,1,0,0,0|2,0,0]=4 338 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,1,1,0,0,0|2,0,0]=4 339 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,1,0,0,0|2,0,0]=4 340 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,1,0,0,0|2,0,0]=4 341 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,1,0,0,0|2,0,0]=4 342 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,1,1,0,0,0|2,0,0]=4 343 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,1,1,0,0,0|1,0,0]=3 344 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,1,1,0,0,0|2,0,0]=4 345 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,1,1,0,0,0|2,0,0]=4 346 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,1,1,0,0,0|2,0,0]=4 347 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,1,1,0,0,0|2,0,0]=4 348 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,1,0,0,0|2,0,0]=4 349 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,1,1,0,0,0|2,0,0]=4 350 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,1,1,0,0,0|2,0,0]=4 351 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,1,1,0,0,0|2,0,0]=4 352 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,1,1,0,0,0|2,0,0]=4 353 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,1,1,0,0,0|2,0,0]=4 354 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,1,1,0,0,0|2,0,0]=4 355 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,1,1,0,0,0|2,0,0]=4 356 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,1,1,0,0,0|2,0,0]=4 357 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,1,1,0,0,0|2,0,0]=4 358 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,1,1,0,0,0|2,0,0]=4 359 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,1,1,0,0,0|2,0,0]=4 360 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,1,1,0,0,0|2,0,0]=4 361 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,1,1,0,0,0|2,0,0]=4 362 B9R0.8 CCOCC(N)C(=O)NN 34a_100016989258_100000210202 [0,1,1,0,0,0|2,0,0]=4 363 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,1,1,0,0,0|1,0,0]=3 364 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,1,1,0,0,0|2,0,0]=4 365 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,1,1,0,0,0|2,0,0]=4 366 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,1,1,0,0,0|2,0,0]=4 367 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,1,1,0,0,0|2,0,0]=4 368 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,1,1,0,0,0|2,0,0]=4 369 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,1,1,0,0,0|2,0,0]=4 370 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,1,1,0,0,0|2,0,0]=4 371 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,1,1,0,0,0|2,0,0]=4 372 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,1,1,0,0,0|2,0,0]=4 373 B9R0.8 COC(=O)[C@H](N)COCF 34a_100000003586_100015361967 [0,1,1,0,0,0|2,0,0]=4 374 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,1,1,0,0,0|2,0,0]=4 375 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [0,1,1,0,0,0|2,0,0]=4 376 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,1,1,0,0,0|2,0,0]=4 377 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,1,1,0,0,0|2,0,0]=4 378 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,1,1,0,0,0|2,0,0]=4 379 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,1,1,0,0,0|1,0,0]=3 380 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,1,1,0,0,0|1,0,0]=3 381 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,1,1,0,0,0|1,0,0]=3 382 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,1,1,0,0,0|2,0,0]=4 383 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,1,1,0,0,0|2,0,0]=4 384 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,1,1,0,0,0|2,0,0]=4 385 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,1,1,0,0,0|2,0,0]=4 386 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,1,1,0,0,0|2,0,0]=4 387 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,1,1,0,0,0|1,0,0]=3 388 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,1,1,0,0,0|1,0,0]=3 389 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,1,1,0,0,0|1,0,0]=3 390 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,1,1,0,0,0|1,0,0]=3 391 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,1,1,0,0,0|2,0,0]=4 392 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,1,1,0,0,0|2,0,0]=4 393 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [0,1,1,0,0,0|2,0,0]=4 394 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [0,1,1,0,0,0|2,0,0]=4 395 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,1,1,0,0,0|1,0,0]=3 396 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [0,1,1,0,0,0|1,0,0]=3 397 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [0,1,1,0,0,0|2,0,0]=4 398 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [0,1,1,0,0,0|2,0,0]=4 399 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,1,1,0,0,0|1,0,0]=3 400 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [0,1,1,0,0,0|1,0,0]=3 401 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,1,0,0,0|2,0,0]=4 402 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,1,1,0,0,0|2,0,0]=4 403 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,1,1,0,0,0|2,0,0]=4 404 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,1,0,0,0|2,0,0]=4 405 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,1,0,0,0|2,0,0]=4 406 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,1,0,0,0|2,0,0]=4 407 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,1,1,0,0,0|2,0,0]=4 408 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,1,1,0,0,0|2,0,0]=4 409 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,1,1,0,0,0|2,0,0]=4 410 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,1,1,0,0,0|2,0,0]=4 411 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,1,1,0,0,0|2,0,0]=4 412 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,1,1,0,0,0|2,0,0]=4 413 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,1,1,0,0,0|1,0,0]=3 414 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,1,1,0,0,0|2,0,0]=4 415 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,1,1,0,0,0|2,0,0]=4 416 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,1,1,0,0,0|2,0,0]=4 417 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,1,1,0,0,0|2,0,0]=4 418 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,1,1,0,0,0|2,0,0]=4 419 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,1,1,0,0,0|2,0,0]=4 420 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,1,1,0,0,0|2,0,0]=4 421 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,1,1,0,0,0|2,0,0]=4 422 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,1,1,0,0,0|1,0,1]=4 423 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,1,1,0,0,0|1,0,1]=4 424 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,1,1,0,0,0|2,0,0]=4 425 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,1,1,0,0,0|2,0,0]=4 426 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,1,1,0,0,0|2,0,0]=4 427 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,1,1,0,0,0|2,0,0]=4 428 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,1,1,0,0,0|2,0,0]=4 429 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,1,1,0,0,0|2,0,0]=4 430 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,1,1,0,0,0|2,0,0]=4 431 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,1,1,0,0,0|2,0,0]=4 432 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,1,1,0,0,0|2,0,0]=4 433 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,1,1,0,0,0|2,0,0]=4 434 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,1,1,0,0,0|1,0,1]=4 435 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,1,1,0,0,0|1,0,1]=4 436 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,1,1,0,0,0|1,0,0]=3 437 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,1,1,0,0,0|1,0,0]=3 438 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,1,0,0,0|2,0,0]=4 439 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,1,0,0,0|2,0,0]=4 440 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,1,1,0,0,0|1,0,0]=3 441 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,1,1,0,0,0|2,0,0]=4 442 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,1,1,0,0,0|2,0,0]=4 443 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,1,1,0,0,0|2,0,0]=4 444 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,1,1,0,0,0|2,0,0]=4 445 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,1,1,0,0,0|2,0,0]=4 446 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,1,1,0,0,0|2,0,0]=4 447 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,1,1,0,0,0|2,0,0]=4 448 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,1,1,0,0,0|2,0,0]=4 449 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,1,1,0,0,0|2,0,0]=4 450 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,1,1,0,0,0|2,0,0]=4 451 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,1,1,0,0,0|2,0,0]=4 452 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,1,1,0,0,0|2,0,0]=4 453 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,1,1,0,0,0|2,0,0]=4 454 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,1,1,0,0,0|2,0,0]=4 455 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [0,1,1,0,0,0|2,0,0]=4 456 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [0,1,1,0,0,0|2,0,0]=4 457 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [0,1,1,0,0,0|2,0,0]=4 458 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [0,1,1,0,0,0|2,0,0]=4 459 B9R0.51 CCCCC(F)(F)C(=O)C 1458a_100000100317_200000210301 [0,1,1,0,0,0|2,0,0]=4 460 B9R0.51 CCCCC(F)(F)C(=O)[13CH3] 1458a_100000100317_200025704644 [0,1,1,0,0,0|2,0,0]=4 461 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [0,1,1,0,0,0|2,0,0]=4 462 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [0,1,1,0,0,0|2,0,0]=4 463 B9R0.11 CC(=O)C(C)(O)CC(C)C 1458a_100011434877_200000210301 [0,1,1,0,0,0|2,0,0]=4 464 B9R0.11 CC(C)CC(C)(O)C(=O)[13CH3] 1458a_100011434877_200025704644 [0,1,1,0,0,0|2,0,0]=4 465 B9R0.60 CCCC(C)(C)C(=O)CC 1458a_100011215034_100000210202 [0,1,1,0,0,0|2,0,0]=4 466 B9R0.60 CCCC(C)(C)C(=O)CF 1458a_100011215034_100015361967 [0,1,1,0,0,0|2,0,0]=4 467 B9R0.60 CCCC(C)(C)C(=O)NC 11a_106832991635_100011215034 [0,1,1,0,0,0|2,0,0]=4 468 B9R0.60 CCCC(C)(C)C(=O)NC 1626a_100102657272_100011215034 [0,1,1,0,0,0|2,0,0]=4 469 B9R0.60 CCCC(C)(C)C(=O)NC 240690a_100102657272_100011215034 [0,1,1,0,0,0|2,0,0]=4 470 B9R0.60 CCCC(C)(C)C(=O)NC 527a_100102657272_100011215034 [0,1,1,0,0,0|2,0,0]=4 471 B9R0.60 CCNC(C)(C)C(=O)OC 2230a_100015525214_100000689032 [0,1,1,0,0,0|2,0,0]=4 472 B9R0.60 CCNC(C)(F)C(=O)OC 2230a_100015525214_200009867631 [0,1,1,0,0,0|2,0,0]=4 473 B9R0.60 CCOC(C)(C)C(=O)OC 34a_100011217581_100000210202 [0,1,1,0,0,0|2,0,0]=4 474 B9R0.60 CCOC(C)(C)C(=O)OC 7a_100011217581_100000210202 [0,1,1,0,0,0|2,0,0]=4 475 B9R0.60 CCOC(C)(F)C(=O)OC 34a_100121572206_200009867631 [0,1,1,0,0,0|2,0,0]=4 476 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000210202_100000689032 [0,1,1,0,0,0|2,0,0]=4 477 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000689032_100000210202 [0,1,1,0,0,0|2,0,0]=4 478 B9R0.60 CCSC(C)(F)C(=O)OC 62a_100000210202_200009867631 [0,1,1,0,0,0|2,0,0]=4 479 B9R0.60 CCSC(C)(F)C(=O)OC 62a_200009867631_100000210202 [0,1,1,0,0,0|2,0,0]=4 480 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 34a_100000709632_200025704644 [0,1,1,0,0,0|2,0,0]=4 481 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 7a_100000709632_200025704644 [0,1,1,0,0,0|2,0,0]=4 482 B9R0.60 COC(=O)C(C)(C)CSC 62a_100000684552_200000210301 [0,1,1,0,0,0|2,0,0]=4 483 B9R0.60 COC(=O)C(C)(C)CSC 62a_200000210301_100000684552 [0,1,1,0,0,0|2,0,0]=4 484 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_100000684552_200025704644 [0,1,1,0,0,0|2,0,0]=4 485 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100000684552 [0,1,1,0,0,0|2,0,0]=4 486 B9R0.60 COCC(C)(C)C(=O)OC 34a_100000709632_200000210301 [0,1,1,0,0,0|2,0,0]=4 487 B9R0.60 COCC(C)(C)C(=O)OC 7a_100000709632_200000210301 [0,1,1,0,0,0|2,0,0]=4 488 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_100000070787_200000040151 [0,1,1,0,0,0|2,0,0]=4 489 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_200000724995_200000210301 [0,1,1,0,0,0|2,0,0]=4 490 B9R0.74 CCCC(C)(CC)C(=O)[13CH3] 1458a_200000724995_200025704644 [0,1,1,0,0,0|2,0,0]=4 491 B9R0.74 CCNC(C)(CC)C(=O)O 269956a_100025756313_100000210202 [0,1,1,0,0,0|2,0,0]=4 492 B9R0.69 C#CC(=O)C(C)(CC)CC 1458a_100000211873_100009817345 [0,1,1,0,0,0|2,0,0]=4 493 B9R0.69 C=CC(=O)C(C)(CC)CC 1458a_100000185746_100009817345 [0,1,1,0,0,0|2,0,0]=4 494 B9R0.69 CCC(=O)C(C)(CC)CC 1458a_100000210414_100009817345 [0,1,1,0,0,0|2,0,0]=4 495 B9R0.69 CCC(=O)C(C)(CC)CC 1458a_100000760562_100000210202 [0,1,1,0,0,0|2,0,0]=4 496 B9R0.69 CCC(C)(CC)C(=O)CF 1458a_100000760562_100015361967 [0,1,1,0,0,0|2,0,0]=4 497 B9R0.69 CCC(C)(CC)C(=O)CO 1458a_100000210174_100009817345 [0,1,1,0,0,0|1,0,0]=3 498 B9R0.69 CCC(C)(CC)C(=O)NC 11a_106832991635_100000760562 [0,1,1,0,0,0|2,0,0]=4 499 B9R0.69 CCC(C)(CC)C(=O)NC 1626a_100102657272_100000760562 [0,1,1,0,0,0|2,0,0]=4 500 B9R0.69 CCC(C)(CC)C(=O)NC 240690a_100102657272_100000760562 [0,1,1,0,0,0|2,0,0]=4 501 B9R0.69 CCC(C)(CC)C(=O)NC 527a_100102657272_100000760562 [0,1,1,0,0,0|2,0,0]=4 502 B9R0.78 CCC(C#N)(CC)C(=O)C 1458a_100011499467_200000210301 [0,1,1,0,0,0|1,0,1]=4 503 B9R0.78 CCC(C#N)(CC)C(=O)[13CH3] 1458a_100011499467_200025704644 [0,1,1,0,0,0|1,0,1]=4 504 B9R0.78 CCC(CC)(CC)C(=O)C 1458a_100000070787_200010884430 [0,1,1,0,0,0|2,0,0]=4 505 B9R0.78 CCC(CC)(NC)C(=O)O 269956a_100000727939_200000210301 [0,1,1,0,0,0|0,0,0]=2 506 B9R0.78 CCC(CC)(N[13CH3])C(=O)O 269956a_100000727939_200025704644 [0,1,1,0,0,0|0,0,0]=2 507 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [1,1,0,0,0,0|1,0,0]=3 508 B9R1.11 C#CC(=O)C1CCOC1 1458a_100000211873_100000690089 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [1,1,0,0,0,0|1,0,0]=3 510 B9R1.11 C=CC(=O)C1CCOC1 1458a_100000185746_100000690089 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [1,1,0,0,0,0|1,0,1]=4 513 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [1,1,0,0,0,0|1,0,1]=4 514 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [1,1,0,0,0,0|1,0,0]=3 515 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [1,1,0,0,0,0|1,0,0]=3 516 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [1,1,0,0,0,0|1,0,0]=3 523 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [1,1,0,0,0,0|1,0,0]=3 524 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [1,1,0,0,0,0|1,0,0]=3 525 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [1,1,0,0,0,0|1,0,0]=3 526 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [1,1,0,0,0,0|1,0,1]=4 541 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [1,1,0,0,0,0|1,0,1]=4 542 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [1,1,0,0,0,0|1,0,0]=3 543 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [1,1,0,0,0,0|0,0,0]=2 547 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [1,1,0,0,0,0|1,0,0]=3 549 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [1,1,0,0,0,0|1,0,0]=3 550 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [1,1,0,0,0,0|1,0,0]=3 553 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [1,1,0,0,0,0|1,0,0]=3 568 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [1,1,0,0,0,0|1,0,1]=4 572 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,1,0,0,0,0|1,0,0]=3 573 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,1,0,0,0,0|1,0,0]=3 580 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,1,0,0,0,0|1,0,0]=3 582 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,1,0,0,0,0|1,0,0]=3 587 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.134 COCC1(CCCC1)N 34a_100000749328_200000210301 [1,1,0,0,0,0|0,0,1]=3 590 B9R1.134 [13CH3]OCC1(CCCC1)N 34a_100000749328_200025704644 [1,1,0,0,0,0|0,0,1]=3 591 B9R1.204 CCC1(CCCC1)NC 2230a_100015183760_200000210301 [1,1,0,0,0,0|1,0,1]=4 592 B9R1.204 CCC1(CCCC1)N[13CH3] 2230a_100015183760_200025704644 [1,1,0,0,0,0|1,0,1]=4 593 B9R1.204 CNC1(CCCC1)C#N 34a_100000738132_200000210301 [1,1,0,0,0,0|1,0,1]=4 594 B9R1.204 CNC1(CCCC1)CO 2230a_100000749328_200000210301 [1,1,0,0,0,0|0,0,1]=3 595 B9R1.204 CNC1(CCCC1)CO 34a_100000749328_200000210301 [1,1,0,0,0,0|0,0,1]=3 596 B9R1.204 COC1(CCCC1)CN 34a_100000737848_200000210301 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.204 [13CH3]NC1(CCCC1)C#N 34a_100000738132_200025704644 [1,1,0,0,0,0|1,0,1]=4 598 B9R1.204 [13CH3]NC1(CCCC1)CO 2230a_100000749328_200025704644 [1,1,0,0,0,0|0,0,1]=3 599 B9R1.204 [13CH3]NC1(CCCC1)CO 34a_100000749328_200025704644 [1,1,0,0,0,0|0,0,1]=3 600 B9R1.204 [13CH3]OC1(CCCC1)CN 34a_100000737848_200025704644 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.119 CC(=O)C1(CCC1)C#N 1458a_100000752263_200000210301 [0,1,0,0,1,0|1,0,1]=4 602 B9R1.119 CCC1(CCC1)C(=O)C 1458a_100000685558_200000210301 [0,1,0,0,1,0|2,0,0]=4 603 B9R1.119 CCC1(CCC1)C(=O)[13CH3] 1458a_100000685558_200025704644 [0,1,0,0,1,0|2,0,0]=4 604 B9R1.119 CNC1(CCC1)C(=O)O 269956a_100000688724_200000210301 [0,1,0,0,1,0|0,0,0]=2 605 B9R1.119 [13CH3]C(=O)C1(CCC1)C#N 1458a_100000752263_200025704644 [0,1,0,0,1,0|1,0,1]=4 606 B9R1.119 [13CH3]NC1(CCC1)C(=O)O 269956a_100000688724_200025704644 [0,1,0,0,1,0|0,0,0]=2 607 B9R1.186 CC1(CCC1)C(=O)CF 1458a_100000684636_100015361967 [0,1,0,0,1,0|2,0,0]=4 608 B9R1.186 CCC(=O)C1(CCC1)C 1458a_100000684636_100000210202 [0,1,0,0,1,0|2,0,0]=4 609 B9R1.186 CCC(=O)C1(CCC1)O 1458a_100000242746_100000210202 [0,1,0,0,1,0|2,0,0]=4 610 B9R1.186 CNC(=O)C1(CCC1)C 11a_106832991635_100000684636 [0,1,0,0,1,0|2,0,0]=4 611 B9R1.186 CNC(=O)C1(CCC1)C 1626a_100102657272_100000684636 [0,1,0,0,1,0|2,0,0]=4 612 B9R1.186 CNC(=O)C1(CCC1)C 240690a_100102657272_100000684636 [0,1,0,0,1,0|2,0,0]=4 613 B9R1.186 CNC(=O)C1(CCC1)C 527a_100102657272_100000684636 [0,1,0,0,1,0|2,0,0]=4 614 B9R1.186 CNC(=O)C1(CCC1)O 240690a_100102657272_100000242746 [0,1,0,0,1,0|2,0,0]=4 615 B9R1.186 O=C(CF)C1(CCC1)O 1458a_100000242746_100015361967 [0,1,0,0,1,0|2,0,0]=4 616 B11R1.220 CC(=O)C1(CCN(CC1)C)O 1458a_100015186493_200000210301 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.220 CC1(CCN(CC1)[13CH3])C(=O)O 269956a_100000699452_200025704644 [0,1,0,0,0,1|1,0,0]=3 618 B11R1.220 CN1CCC(CC1)(C)C(=O)O 269956a_100000699452_200000210301 [0,1,0,0,0,1|1,0,0]=3 619 B11R1.220 CN1CCC(CC1)(F)C(=O)O 269956a_100020586884_200000210301 [0,1,0,0,0,1|1,0,0]=3 620 B11R1.220 CN1CCC(CC1)(O)C(=O)[13CH3] 1458a_100015186493_200025704644 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.220 [13CH3]N1CCC(CC1)(F)C(=O)O 269956a_100020586884_200025704644 [0,1,0,0,0,1|1,0,0]=3 622 B11R1.520 CC1(CCCCN1[13CH3])C(=O)O 269956a_100000698061_200025704644 [0,1,0,0,0,1|1,0,0]=3 623 B11R1.520 CN1CCCCC1(C)C(=O)O 269956a_100000698061_200000210301 [0,1,0,0,0,1|1,0,0]=3 624 B11R1.878 CC1(CCCCC1)C(=O)CF 1458a_100000762840_100015361967 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.878 CC1(CCOCC1)C(=O)CF 1458a_100000749465_100015361967 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.878 CCC(=O)C1(CCCCC1)C 1458a_100000762840_100000210202 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.878 CCC(=O)C1(CCCCC1)F 1458a_100000069003_100000210202 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.878 CCC(=O)C1(CCCCC1)O 1458a_100000242742_100000210202 [0,1,0,0,0,1|2,0,0]=4 629 B11R1.878 CCC(=O)C1(CCOCC1)C 1458a_100000749465_100000210202 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.878 CCC(=O)C1(CCOCC1)F 1458a_100009845733_100000210202 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.878 CCC(=O)C1(CCOCC1)O 1458a_100000751969_100000210202 [0,1,0,0,0,1|2,0,0]=4 632 B11R1.878 CNC(=O)C1(CCCCC1)C 11a_106832991635_100000762840 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.878 CNC(=O)C1(CCCCC1)C 1626a_100102657272_100000762840 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.878 CNC(=O)C1(CCCCC1)C 240690a_100102657272_100000762840 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.878 CNC(=O)C1(CCCCC1)C 527a_100102657272_100000762840 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.878 CNC(=O)C1(CCCCC1)F 11a_106832991635_100000069003 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.878 CNC(=O)C1(CCCCC1)F 1626a_100102657272_100000069003 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.878 CNC(=O)C1(CCCCC1)F 240690a_100102657272_100000069003 [0,1,0,0,0,1|2,0,0]=4 639 B11R1.878 CNC(=O)C1(CCCCC1)F 527a_100102657272_100000069003 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.878 CNC(=O)C1(CCCCC1)O 240690a_100102657272_100000242742 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.878 CNC(=O)C1(CCOCC1)C 11a_106832991635_100000749465 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.878 CNC(=O)C1(CCOCC1)C 1626a_100102657272_100000749465 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.878 CNC(=O)C1(CCOCC1)C 240690a_100102657272_100000749465 [0,1,0,0,0,1|2,0,0]=4 644 B11R1.878 CNC(=O)C1(CCOCC1)C 527a_100102657272_100000749465 [0,1,0,0,0,1|2,0,0]=4 645 B11R1.878 CNC(=O)C1(CCOCC1)F 11a_106832991635_100009845733 [0,1,0,0,0,1|2,0,0]=4 646 B11R1.878 CNC(=O)C1(CCOCC1)F 1626a_100102657272_100009845733 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.878 CNC(=O)C1(CCOCC1)F 240690a_100102657272_100009845733 [0,1,0,0,0,1|2,0,0]=4 648 B11R1.878 CNC(=O)C1(CCOCC1)F 527a_100102657272_100009845733 [0,1,0,0,0,1|2,0,0]=4 649 B11R1.878 CNC(=O)C1(CCOCC1)O 240690a_100102657272_100000751969 [0,1,0,0,0,1|2,0,0]=4 650 B11R1.878 O=C(CF)C1(CCCCC1)F 1458a_100000069003_100015361967 [0,1,0,0,0,1|2,0,0]=4 651 B11R1.878 O=C(CF)C1(CCCCC1)O 1458a_100000242742_100015361967 [0,1,0,0,0,1|2,0,0]=4 652 B11R1.878 O=C(CF)C1(CCOCC1)F 1458a_100009845733_100015361967 [0,1,0,0,0,1|2,0,0]=4 653 B11R1.878 O=C(CF)C1(CCOCC1)O 1458a_100000751969_100015361967 [0,1,0,0,0,1|2,0,0]=4 654 B11R1.1074 CC(=O)C1(CCCCC1)C#N 1458a_100000745063_200000210301 [0,1,0,0,0,1|1,0,1]=4 655 B11R1.1074 CC(=O)C1(CCOCC1)C#N 1458a_100000754344_200000210301 [0,1,0,0,0,1|1,0,1]=4 656 B11R1.1074 CC(=O)C1(CCOCC1)CO 1458a_100012175746_200000210301 [0,1,0,0,0,1|2,0,0]=4 657 B11R1.1074 CNC1(CCCCC1)C(=O)N 2230a_100000746659_200000210301 [0,1,0,0,0,1|1,0,0]=3 658 B11R1.1074 CNC1(CCCCC1)C(=O)N 34a_100000746659_200000210301 [0,1,0,0,0,1|1,0,0]=3 659 B11R1.1074 CNC1(CCCCC1)C(=O)O 269956a_100000185090_200000210301 [0,1,0,0,0,1|0,0,0]=2 660 B11R1.1074 CNC1(CCOCC1)C(=O)O 269956a_100015194771_200000210301 [0,1,0,0,0,1|0,0,0]=2 661 B11R1.1074 [13CH3]C(=O)C1(CCCCC1)C#N 1458a_100000745063_200025704644 [0,1,0,0,0,1|1,0,1]=4 662 B11R1.1074 [13CH3]C(=O)C1(CCOCC1)C#N 1458a_100000754344_200025704644 [0,1,0,0,0,1|1,0,1]=4 663 B11R1.1074 [13CH3]C(=O)C1(CCOCC1)CO 1458a_100012175746_200025704644 [0,1,0,0,0,1|2,0,0]=4 664 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)N 2230a_100000746659_200025704644 [0,1,0,0,0,1|1,0,0]=3 665 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)N 34a_100000746659_200025704644 [0,1,0,0,0,1|1,0,0]=3 666 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)O 269956a_100000185090_200025704644 [0,1,0,0,0,1|0,0,0]=2 667 B11R1.1074 [13CH3]NC1(CCOCC1)C(=O)O 269956a_100015194771_200025704644 [0,1,0,0,0,1|0,0,0]=2 668 B11R1.895 CC1(CCOC1)NC(=O)CO 240690a_100000693475_100000210174 [0,1,0,0,0,1|2,0,0]=4 669 B11R1.895 CC1(CCOC1)NC(=O)CO 527a_100000693475_100000210174 [0,1,0,0,0,1|2,0,0]=4 670 B11R1.1062 CC(=O)NC1(CCCC1)C#N 11a_100000738132_100015343762 [0,1,0,0,0,1|1,0,1]=4 671 B11R1.1062 CC(=O)NC1(CCCC1)C#N 1626a_100000738132_100015343762 [0,1,0,0,0,1|1,0,1]=4 672 B11R1.1062 CC(=O)NC1(CCCC1)C#N 240690a_100000738132_100015343762 [0,1,0,0,0,1|1,0,1]=4 673 B11R1.1062 CC(=O)NC1(CCCC1)C#N 527a_100000738132_100103153847 [0,1,0,0,0,1|1,0,1]=4 674 B11R1.1062 CC(=O)NC1(CCCC1)CO 240690a_100000749328_100015343762 [0,1,0,0,0,1|2,0,0]=4 675 B11R1.1062 CC(=O)NC1(CCCC1)CO 527a_100000749328_100103153847 [0,1,0,0,0,1|2,0,0]=4 676 B11R1.1062 CCC1(CCCC1)NC(=O)C 11a_100015183760_100015343762 [0,1,0,0,0,1|2,0,0]=4 677 B11R1.1062 CCC1(CCCC1)NC(=O)C 1626a_100015183760_100015343762 [0,1,0,0,0,1|2,0,0]=4 678 B11R1.1062 CCC1(CCCC1)NC(=O)C 240690a_100015183760_100015343762 [0,1,0,0,0,1|2,0,0]=4 679 B11R1.1062 CCC1(CCCC1)NC(=O)C 527a_100015183760_100103153847 [0,1,0,0,0,1|2,0,0]=4 680 B11R1.421 CCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210202 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.421 C[C@]1(CCCN1CF)C(=O)O 269956a_100009816582_100015361967 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.1064 CCC1(CCCN1C)C(=O)O 269956a_100000695297_200000210301 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.1064 CCC1(CCCN1[13CH3])C(=O)O 269956a_100000695297_200025704644 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.1470 COC(=O)[C@@]1(CCCN1C)C 2230a_100000719487_200000210301 [0,2,0,0,0,0|2,0,0]=4 685 B11R1.1470 COC(=O)[C@@]1(CCCN1C)C 269982a_100000719487_200000210301 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.1470 COC(=O)[C@@]1(CCCN1C)C 34a_100000719487_200000210301 [0,2,0,0,0,0|2,0,0]=4 687 B11R1.1470 COC(=O)[C@@]1(CCCN1[13CH3])C 2230a_100000719487_200025704644 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.1470 COC(=O)[C@@]1(CCCN1[13CH3])C 269982a_100000719487_200025704644 [0,2,0,0,0,0|2,0,0]=4 689 B11R1.1470 COC(=O)[C@@]1(CCCN1[13CH3])C 34a_100000719487_200025704644 [0,2,0,0,0,0|2,0,0]=4 690 B11R1.819 C#CCC(=O)C1(CCCC1)C 1458a_100000239728_100000184674 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.819 C#CCC(=O)C1(CCCC1)O 1458a_100000242637_100000184674 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.819 C=CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210623 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.819 C=CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210623 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.819 CC1(CCCC1)C(=O)CC#N 1458a_100000239728_100011214920 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.819 CC1(CCCC1)C(=O)CCF 1458a_100000239728_100011217306 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.819 CC1(CCCC1)C(=O)CCO 1458a_100000239728_100000211926 [0,2,0,0,0,0|1,0,0]=3 697 B11R1.819 CC1(CCCO1)C(=O)CCO 1458a_100000684770_100000211926 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.819 CCCC(=O)C1(CCCC1)C 1458a_100000239728_100000210303 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.819 CCCC(=O)C1(CCCC1)O 1458a_100000242637_100000210303 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.819 CCNC(=O)C1(CCCC1)C 11a_100015525214_100000239728 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.819 CCNC(=O)C1(CCCC1)C 240690a_100015525214_100000239728 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.819 CCNC(=O)C1(CCCC1)C 527a_100015525214_100000239728 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.819 CCNC(=O)C1(CCCC1)O 240690a_100015525214_100000242637 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.819 CCNC(=O)C1(CCCC1)O 527a_100015525214_100000242637 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.819 CNNC(=O)C1(CCCC1)C 22a_100016993582_100000239728 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.819 CNNC(=O)C1(CCCC1)O 22a_100016993582_100000242637 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.819 N#CCC(=O)C1(CCCC1)O 1458a_100000242637_100011214920 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.819 O=C(CCF)C1(CCCC1)O 1458a_100000242637_100011217306 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.819 O=C(CCO)C1(CCCC1)O 1458a_100000242637_100000211926 [0,2,0,0,0,0|1,0,0]=3 710 B11R1.1472 CCC(=O)C1(CCCC1)C#N 1458a_100000209868_100000210202 [0,2,0,0,0,0|1,0,1]=4 711 B11R1.1472 CNC(=O)C1(CCCC1)C#N 11a_106832991635_100000209868 [0,2,0,0,0,0|1,0,1]=4 712 B11R1.1472 CNC(=O)C1(CCCC1)C#N 1626a_100102657272_100000209868 [0,2,0,0,0,0|1,0,1]=4 713 B11R1.1472 CNC(=O)C1(CCCC1)C#N 240690a_100102657272_100000209868 [0,2,0,0,0,0|1,0,1]=4 714 B11R1.1472 N#CC1(CCCC1)C(=O)CF 1458a_100000209868_100015361967 [0,2,0,0,0,0|1,0,1]=4 715 B11R1.1239 CCNC1(CCCC1)C(=O)N 2230a_100000755618_100000210202 [0,2,0,0,0,0|1,0,0]=3 716 B11R1.1239 CCNC1(CCCC1)C(=O)N 34a_100000755618_100000210202 [0,2,0,0,0,0|1,0,0]=3 717 B11R1.1239 CCNC1(CCCC1)C(=O)O 269956a_100000739329_100000210202 [0,2,0,0,0,0|0,0,0]=2 718 B11R1.1239 CNCC1(CCCC1)C(=O)O 269956a_100000695985_200000210301 [0,2,0,0,0,0|0,0,0]=2 719 B11R1.1239 NC(=O)C1(CCCC1)NCF 34a_100000755618_100015361967 [0,2,0,0,0,0|1,0,0]=3 720 B11R1.1239 O=C(O)C1(CCCC1)NCF 269956a_100000739329_100015361967 [0,2,0,0,0,0|0,0,0]=2 721 B11R1.1239 [13CH3]NCC1(CCCC1)C(=O)O 269956a_100000695985_200025704644 [0,2,0,0,0,0|0,0,0]=2 722 B11R1.1385 CN(C)C1(CCCC1)C(=O)O 269956a_106744497834_200000210301 [0,2,0,0,0,0|0,0,0]=2 723 B11R1.1385 CN([13CH3])C1(CCCC1)C(=O)O 269956a_106744497834_200025704644 [0,2,0,0,0,0|0,0,0]=2 724 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,1,1,0,0|2,0,0]=4 725 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,1,1,0,0|2,0,0]=4 726 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,1,1,0,0|2,0,0]=4 727 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,1,1,0,0|2,0,0]=4 728 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,1,1,0,0|2,0,0]=4 729 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,0,1,1,0,0|2,0,0]=4 730 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,0,1,1,0,0|2,0,0]=4 731 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,0,1,1,0,0|2,0,0]=4 732 B9R1.179 CCNC1(CC1)C(=O)O 269956a_100000746478_100000210202 [0,0,1,1,0,0|2,0,0]=4 733 B9R1.179 CNCC1(CC1)C(=O)O 269956a_100000703410_200000210301 [0,0,1,1,0,0|2,0,0]=4 734 B9R1.179 [13CH3]NCC1(CC1)C(=O)O 269956a_100000703410_200025704644 [0,0,1,1,0,0|2,0,0]=4 735 B9R2.145 CC(=O)C12CC(C1)C2 1458a_100000137470_200000210301 [0,0,0,1,1,0|2,0,0]=4 736 B9R2.145 [13CH3]C(=O)C12CC(C1)C2 1458a_100000137470_200025704644 [0,0,0,1,1,0|2,0,0]=4 737 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,0,1,0|1,0,0]=3 738 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,0,1,0|1,0,0]=3 739 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,0,1,0|2,0,0]=4 740 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,0,1,0|2,0,0]=4 741 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,0,1,0|2,0,0]=4 742 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,0,1,0|2,0,0]=4 743 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,0,1,0|2,0,0]=4 744 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,0,1,0|2,0,0]=4 745 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,0,1,0|1,0,0]=3 746 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,0,1,0|2,0,0]=4 747 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,0,1,0|2,0,0]=4 748 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,0,0,0,2,0|2,0,0]=4 749 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,0,0,0,2,0|2,0,0]=4 750 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,0,0,0,2,0|2,0,0]=4 751 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,0,0,0,2,0|2,0,0]=4 752 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,0,0,0,2,0|2,0,0]=4 753 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,0,0,0,2,0|2,0,0]=4 754 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,0,1,0,0,1|2,0,0]=4 755 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,0,1,0,0,1|2,0,0]=4 756 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,0,1,0,0,1|2,0,0]=4 757 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,0,1,0,0,1|2,0,0]=4 758 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,0,1,0,0,1|2,0,0]=4 759 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,0,1,0,0,1|2,0,0]=4 760 B9R0.58 CCCC(C)(O)CC(=O)C 1458a_100011667670_200000210301 [0,0,1,0,0,1|2,0,0]=4 761 B9R0.58 CCCC(C)(O)CC(=O)[13CH3] 1458a_100011667670_200025704644 [0,0,1,0,0,1|2,0,0]=4 762 B9R0.58 CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210202 [0,0,1,0,0,1|2,0,0]=4 763 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [1,0,0,0,0,1|1,0,1]=4 764 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,0,0,1|1,0,0]=3 765 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,0,0,1|1,0,0]=3 766 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,0,0,0,0,1|2,0,0]=4 767 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [1,0,0,0,0,1|2,0,0]=4 768 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [1,0,0,0,0,1|2,0,0]=4 769 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [1,0,0,0,0,1|2,0,0]=4 770 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [1,0,0,0,0,1|1,0,0]=3 771 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [1,0,0,0,0,1|1,0,0]=3 772 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [1,0,0,0,0,1|1,0,0]=3 773 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [1,0,0,0,0,1|1,0,0]=3 774 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [1,0,0,0,0,1|2,0,0]=4 775 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [1,0,0,0,0,1|2,0,0]=4 776 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [1,0,0,0,0,1|2,0,0]=4 777 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [1,0,0,0,0,1|2,0,0]=4 778 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [1,0,0,0,0,1|2,0,0]=4 779 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [1,0,0,0,0,1|2,0,0]=4 780 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [1,0,0,0,0,1|2,0,0]=4 781 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [1,0,0,0,0,1|2,0,0]=4 782 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [1,0,0,0,0,1|1,0,1]=4 783 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [1,0,0,0,0,1|1,0,1]=4 784 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,0,0,1|1,0,0]=3 785 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [1,0,0,0,0,1|2,0,0]=4 786 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [1,0,0,0,0,1|2,0,0]=4 787 B9R1.171 CC(=O)CC1(CCC1)C 1458a_100000070787_100000726658 [0,0,0,0,1,1|2,0,0]=4 788 B9R1.171 CC(=O)NC1(CCC1)C 11a_100000692455_100015343762 [0,0,0,0,1,1|2,0,0]=4 789 B9R1.171 CC(=O)NC1(CCC1)C 1626a_100000692455_100015343762 [0,0,0,0,1,1|2,0,0]=4 790 B9R1.171 CC(=O)NC1(CCC1)C 240690a_100000692455_100015343762 [0,0,0,0,1,1|2,0,0]=4 791 B9R1.171 CC(=O)NC1(CCC1)C 527a_100000692455_100103153847 [0,0,0,0,1,1|2,0,0]=4 792 B11R1.928 CC(=O)CC1(CCCCC1)O 1458a_100000755886_200000210301 [0,0,0,0,0,2|2,0,0]=4 793 B11R1.928 CC(=O)NC1(CCCCC1)C 11a_100000741114_100015343762 [0,0,0,0,0,2|2,0,0]=4 794 B11R1.928 CC(=O)NC1(CCCCC1)C 1626a_100000741114_100015343762 [0,0,0,0,0,2|2,0,0]=4 795 B11R1.928 CC(=O)NC1(CCCCC1)C 240690a_100000741114_100015343762 [0,0,0,0,0,2|2,0,0]=4 796 B11R1.928 CC(=O)NC1(CCCCC1)C 527a_100000741114_100103153847 [0,0,0,0,0,2|2,0,0]=4 797 B11R1.928 CC(=O)NC1(CCOCC1)C 11a_100000692449_100015343762 [0,0,0,0,0,2|2,0,0]=4 798 B11R1.928 CC(=O)NC1(CCOCC1)C 1626a_100000692449_100015343762 [0,0,0,0,0,2|2,0,0]=4 799 B11R1.928 CC(=O)NC1(CCOCC1)C 240690a_100000692449_100015343762 [0,0,0,0,0,2|2,0,0]=4 800 B11R1.928 CC(=O)NC1(CCOCC1)C 527a_100000692449_100103153847 [0,0,0,0,0,2|2,0,0]=4 801 B11R1.928 [13CH3]C(=O)CC1(CCCCC1)O 1458a_100000755886_200025704644 [0,0,0,0,0,2|2,0,0]=4 802 B11R1.713 CC(=O)NCC1(CCCC1)O 11a_100000737848_100015343762 [0,0,0,0,0,2|2,0,0]=4 803 B11R1.713 CC(=O)NCC1(CCCC1)O 1626a_100000737848_100015343762 [0,0,0,0,0,2|2,0,0]=4 804 B11R1.713 CC(=O)NCC1(CCCC1)O 240690a_100000737848_100015343762 [0,0,0,0,0,2|2,0,0]=4 805 B11R1.713 CC(=O)NCC1(CCCC1)O 527a_100000737848_100103153847 [0,0,0,0,0,2|2,0,0]=4 806 B11R1.713 CC1(CCCC1)OCC(=O)N 34a_100000751722_100000187820 [0,0,0,0,0,2|2,0,0]=4 807 B11R1.713 CC1(CCCC1)OCC(=O)N 7a_100000751722_100000187820 [0,0,0,0,0,2|2,0,0]=4 808 B11R1.713 CC1(CCCC1)OCC(=O)[O-] 34a_100000751722_100020667443 [0,0,0,0,0,2|1,0,1]=4 809 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,1,0,0,0|1,0,0]=4 810 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,1,0,0,0|1,0,0]=4 811 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,1,0,0,0|1,0,0]=4 812 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,1,0,0,0|1,0,0]=4 813 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,1,0,0,0|1,0,0]=4 814 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,1,0,0,0|1,0,0]=4 815 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,1,0,0,0|1,0,0]=4 816 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,1,0,0,0|1,0,0]=4 817 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,1,0,0,0|1,0,0]=4 818 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,1,0,0,0|1,0,0]=4 819 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,1,0,0,0|1,0,0]=4 820 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,1,0,0,0|1,0,0]=4 821 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,1,0,0,0|1,0,0]=4 822 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [2,0,1,0,0,0|1,0,0]=4 823 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [2,0,1,0,0,0|1,0,0]=4 824 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [2,0,1,0,0,0|1,0,0]=4 825 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [2,0,1,0,0,0|1,0,0]=4 826 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [2,0,1,0,0,0|1,0,0]=4 827 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,1,0,0,0|0,0,1]=4 828 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,1,0,0,0|0,0,1]=4 829 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [1,1,1,0,0,0|1,0,0]=4 830 B8R0.11 CCCC[C@@H](CO)NC 2230a_100011934283_200000210301 [1,1,1,0,0,0|0,0,1]=4 831 B8R0.11 CCCC[C@@H](CO)NC 34a_100011934283_200000210301 [1,1,1,0,0,0|0,0,1]=4 832 B8R0.11 CCCC[C@@H](CO)N[13CH3] 2230a_100011934283_200025704644 [1,1,1,0,0,0|0,0,1]=4 833 B8R0.11 CCCC[C@@H](CO)N[13CH3] 34a_100011934283_200025704644 [1,1,1,0,0,0|0,0,1]=4 834 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,1,0,0,0|1,0,0]=4 835 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,1,0,0,0|1,0,0]=4 836 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,1,0,0,0|1,0,0]=4 837 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,1,0,0,0|1,0,0]=4 838 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,1,0,0,0|1,0,0]=4 839 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,1,0,0,0|1,0,0]=4 840 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,1,0,0,0|1,0,0]=4 841 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,1,0,0,0|1,0,0]=4 842 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,1,0,0,0|1,0,0]=4 843 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,1,0,0,0|1,0,0]=4 844 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,1,0,0,0|1,0,0]=4 845 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,1,0,0,0|1,0,0]=4 846 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,1,0,0,0|1,0,0]=4 847 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,1,0,0,0|1,0,0]=4 848 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,1,0,0,0|1,0,0]=4 849 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,1,0,0,0|1,0,0]=4 850 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,1,0,0,0|1,0,0]=4 851 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,1,0,0,0|1,0,0]=4 852 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,1,1,0,0,0|1,0,0]=4 853 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,1,1,0,0,0|1,0,0]=4 854 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,1,1,0,0,0|1,0,0]=4 855 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,1,0,0,0|0,0,0]=3 856 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,1,0,0,0|1,0,0]=4 857 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,1,0,0,0|1,0,0]=4 858 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,1,0,0,0|1,0,0]=4 859 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,1,1,0,0,0|1,0,0]=4 860 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,1,1,0,0,0|1,0,0]=4 861 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,1,0,0,0|1,0,0]=4 862 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,1,1,0,0,0|0,0,1]=4 863 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,1,0,0,0|1,0,0]=4 864 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,1,1,0,0,0|1,0,0]=4 865 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,1,1,0,0,0|1,0,0]=4 866 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,1,0,0,0|1,0,0]=4 867 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,1,1,0,0,0|0,0,1]=4 868 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,1,1,0,0,0|0,0,1]=4 869 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,1,1,0,0,0|1,0,0]=4 870 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,1,0,0,0|1,0,0]=4 871 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,1,0,0,0|1,0,0]=4 872 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,1,0,0,0|1,0,0]=4 873 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,1,1,0,0,0|1,0,0]=4 874 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,1,1,0,0,0|1,0,0]=4 875 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,1,1,0,0,0|1,0,0]=4 876 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,1,0,0,0|1,0,0]=4 877 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,1,0,0,0|1,0,0]=4 878 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,1,1,0,0,0|1,0,0]=4 879 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,1,1,0,0,0|1,0,0]=4 880 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,1,1,0,0,0|1,0,0]=4 881 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,1,0,0,0|1,0,0]=4 882 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,1,0,0,0|1,0,0]=4 883 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,1,0,0,0|1,0,0]=4 884 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,1,0,0,0|1,0,0]=4 885 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,1,1,0,0,0|1,0,0]=4 886 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,1,1,0,0,0|1,0,0]=4 887 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,1,0,0,0|1,0,0]=4 888 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,1,0,0,0|1,0,0]=4 889 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,1,1,0,0,0|1,0,0]=4 890 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,1,1,0,0,0|1,0,0]=4 891 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,1,0,0,0|1,0,0]=4 892 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,1,0,0,0|1,0,0]=4 893 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,1,1,0,0,0|1,0,0]=4 894 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,1,1,0,0,0|1,0,0]=4 895 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,1,0,0,0|1,0,0]=4 896 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,1,0,0,0|1,0,0]=4 897 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,1,1,0,0,0|1,0,0]=4 898 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,1,1,0,0,0|1,0,0]=4 899 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,1,1,0,0,0|1,0,0]=4 900 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,1,0,0,0|1,0,0]=4 901 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,1,0,0,0|1,0,0]=4 902 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,1,1,0,0,0|1,0,0]=4 903 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,1,1,0,0,0|1,0,0]=4 904 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,1,1,0,0,0|1,0,0]=4 905 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,1,0,0,0|1,0,0]=4 906 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,1,1,0,0,0|1,0,0]=4 907 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,1,1,0,0,0|1,0,0]=4 908 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,1,1,0,0,0|1,0,0]=4 909 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,1,1,0,0,0|1,0,0]=4 910 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,1,0,0,0|1,0,0]=4 911 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,1,0,0,0|1,0,0]=4 912 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,1,0,0,0|1,0,0]=4 913 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,1,0,0,0|1,0,0]=4 914 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,1,1,0,0,0|1,0,0]=4 915 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,1,1,0,0,0|1,0,0]=4 916 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,1,1,0,0,0|1,0,0]=4 917 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,1,1,0,0,0|1,0,0]=4 918 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,1,1,0,0,0|1,0,0]=4 919 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [1,1,1,0,0,0|1,0,0]=4 920 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,1,1,0,0,0|1,0,0]=4 921 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,1,1,0,0,0|1,0,0]=4 922 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,1,1,0,0,0|1,0,0]=4 923 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [1,1,1,0,0,0|1,0,0]=4 924 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [1,1,1,0,0,0|1,0,0]=4 925 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [1,1,1,0,0,0|1,0,0]=4 926 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [1,1,1,0,0,0|1,0,0]=4 927 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [1,1,1,0,0,0|1,0,0]=4 928 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [1,1,1,0,0,0|1,0,0]=4 929 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,1,0,0,0|0,0,0]=3 930 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [1,1,1,0,0,0|1,0,0]=4 931 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [1,1,1,0,0,0|1,0,0]=4 932 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,1,0,0,0|0,0,0]=3 933 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,1,1,0,0,0|1,0,0]=4 934 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,1,1,0,0,0|1,0,0]=4 935 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [1,1,1,0,0,0|1,0,0]=4 936 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [1,1,1,0,0,0|1,0,0]=4 937 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [1,1,1,0,0,0|1,0,0]=4 938 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [1,1,1,0,0,0|1,0,0]=4 939 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [1,1,1,0,0,0|1,0,0]=4 940 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [1,1,1,0,0,0|1,0,0]=4 941 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [1,1,1,0,0,0|1,0,0]=4 942 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [1,1,1,0,0,0|1,0,0]=4 943 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [1,1,1,0,0,0|1,0,0]=4 944 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [1,1,1,0,0,0|1,0,0]=4 945 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [1,1,1,0,0,0|1,0,0]=4 946 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [1,1,1,0,0,0|1,0,0]=4 947 B8R0.20 C#CC(=O)C(CC)CC 1458a_100000211873_100000210505 [1,1,1,0,0,0|1,0,0]=4 948 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [1,1,1,0,0,0|1,0,0]=4 949 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [1,1,1,0,0,0|1,0,0]=4 950 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [1,1,1,0,0,0|1,0,0]=4 951 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [1,1,1,0,0,0|1,0,0]=4 952 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [1,1,1,0,0,0|0,0,0]=3 953 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [1,1,1,0,0,0|1,0,0]=4 954 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [1,1,1,0,0,0|1,0,0]=4 955 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [1,1,1,0,0,0|1,0,0]=4 956 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [1,1,1,0,0,0|1,0,0]=4 957 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [1,1,1,0,0,0|1,0,0]=4 958 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [1,1,1,0,0,0|1,0,0]=4 959 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [1,1,1,0,0,0|1,0,0]=4 960 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [1,1,1,0,0,0|1,0,0]=4 961 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [1,1,1,0,0,0|1,0,0]=4 962 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [1,1,1,0,0,0|1,0,0]=4 963 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [1,1,1,0,0,0|1,0,0]=4 964 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [1,1,1,0,0,0|1,0,0]=4 965 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [1,1,1,0,0,0|1,0,0]=4 966 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [1,1,1,0,0,0|1,0,0]=4 967 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [1,1,1,0,0,0|1,0,0]=4 968 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [1,1,1,0,0,0|1,0,0]=4 969 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [1,1,1,0,0,0|1,0,0]=4 970 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [1,1,1,0,0,0|1,0,0]=4 971 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [2,1,0,0,0,0|0,0,1]=4 972 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [2,1,0,0,0,0|0,0,1]=4 973 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [2,1,0,0,0,0|0,0,1]=4 974 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [2,1,0,0,0,0|1,0,0]=4 975 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [2,1,0,0,0,0|1,0,0]=4 976 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [2,1,0,0,0,0|0,0,1]=4 977 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [2,1,0,0,0,0|0,0,1]=4 978 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [1,1,0,0,1,0|1,0,0]=4 979 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [1,1,0,0,1,0|1,0,0]=4 980 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [1,1,0,0,1,0|1,0,0]=4 981 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [1,1,0,0,1,0|1,0,0]=4 982 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [1,1,0,0,1,0|1,0,0]=4 983 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [1,1,0,0,1,0|1,0,0]=4 984 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,1,0,0,1,0|1,0,0]=4 985 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,1,0,0,1,0|1,0,0]=4 986 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [1,1,0,0,1,0|1,0,0]=4 987 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [1,1,0,0,1,0|1,0,0]=4 988 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,1,0,0,1,0|1,0,0]=4 989 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,1,0,0,1,0|1,0,0]=4 990 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [1,1,0,0,1,0|1,0,0]=4 991 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [1,1,0,0,1,0|1,0,0]=4 992 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [1,1,0,0,1,0|1,0,0]=4 993 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [1,1,0,0,1,0|1,0,0]=4 994 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [1,1,0,0,1,0|1,0,0]=4 995 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [1,1,0,0,1,0|0,0,0]=3 996 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [1,1,0,0,1,0|1,0,0]=4 997 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [1,1,0,0,1,0|1,0,0]=4 998 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [1,1,0,0,1,0|1,0,0]=4 999 B8R1.60 CNC1(CCC1)CO 2230a_100016993734_200000210301 [1,1,0,0,1,0|0,0,1]=4 1000 B8R1.60 [13CH3]NC1(CCC1)CO 2230a_100016993734_200025704644 [1,1,0,0,1,0|0,0,1]=4 1001 B8R1.63 CNC1(CC1)C(=O)N 2230a_100000687655_200000210301 [0,1,0,0,2,0|1,0,0]=4 1002 B8R1.63 CNC1(CC1)C(=O)N 34a_100102657272_100010760883 [0,1,0,0,2,0|1,0,0]=4 1003 B8R1.63 CNC1(CC1)C(=O)N 7a_106832991635_100010760883 [0,1,0,0,2,0|1,0,0]=4 1004 B8R1.63 CNC1(CC1)C(=O)O 269956a_100000746478_200000210301 [0,1,0,0,2,0|0,0,0]=3 1005 B8R1.63 [13CH3]NC1(CC1)C(=O)N 2230a_100000687655_200025704644 [0,1,0,0,2,0|1,0,0]=4 1006 B8R1.63 [13CH3]NC1(CC1)C(=O)O 269956a_100000746478_200025704644 [0,1,0,0,2,0|0,0,0]=3 1007 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,1,1,0,0,1|1,0,0]=4 1008 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,1,1,0,0,1|1,0,0]=4 1009 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,1,1,0,0,1|1,0,0]=4 1010 B10R0.35 CCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210202 [0,2,1,0,0,0|1,0,0]=4 1011 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,2,1,0,0,0|1,0,0]=4 1012 B10R0.57 COC(=O)[C@H](N)COC(C)C 34a_100000003586_100000210206 [0,2,1,0,0,0|1,0,0]=4 1013 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,2,1,0,0,0|1,0,0]=4 1014 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,2,1,0,0,0|1,0,0]=4 1015 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,2,1,0,0,0|1,0,0]=4 1016 B10R0.82 CCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100011215416 [0,2,1,0,0,0|1,0,0]=4 1017 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,2,1,0,0,0|1,0,0]=4 1018 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,2,1,0,0,0|1,0,0]=4 1019 B10R0.84 CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_200000210301 [0,2,1,0,0,0|1,0,0]=4 1020 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [0,2,1,0,0,0|1,0,0]=4 1021 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [0,2,1,0,0,0|1,0,0]=4 1022 B10R0.84 C[S+](C)CCC(N[13CH3])C(=O)O 269956a_100000210779_200025704644 [0,2,1,0,0,0|1,0,0]=4 1023 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,2,1,0,0,0|1,0,0]=4 1024 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,2,1,0,0,0|1,0,0]=4 1025 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,2,1,0,0,0|1,0,0]=4 1026 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,2,1,0,0,0|1,0,0]=4 1027 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,1,0,0,0|1,0,0]=4 1028 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,2,1,0,0,0|1,0,0]=4 1029 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,2,1,0,0,0|1,0,0]=4 1030 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,2,1,0,0,0|1,0,0]=4 1031 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,2,1,0,0,0|1,0,0]=4 1032 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,2,1,0,0,0|1,0,0]=4 1033 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,2,1,0,0,0|1,0,0]=4 1034 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,2,1,0,0,0|1,0,0]=4 1035 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,2,1,0,0,0|1,0,0]=4 1036 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,2,1,0,0,0|1,0,0]=4 1037 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,2,1,0,0,0|1,0,0]=4 1038 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,2,1,0,0,0|1,0,0]=4 1039 B10R0.83 CCCOCC(N)C(=O)NN 34a_100016989258_100000210303 [0,2,1,0,0,0|1,0,0]=4 1040 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,2,1,0,0,0|0,0,0]=3 1041 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,2,1,0,0,0|1,0,0]=4 1042 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,2,1,0,0,0|1,0,0]=4 1043 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,2,1,0,0,0|1,0,0]=4 1044 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,2,1,0,0,0|1,0,0]=4 1045 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,2,1,0,0,0|1,0,0]=4 1046 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,2,1,0,0,0|1,0,0]=4 1047 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,2,1,0,0,0|1,0,0]=4 1048 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,2,1,0,0,0|1,0,0]=4 1049 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,2,1,0,0,0|1,0,0]=4 1050 B10R0.85 CCCCC(CC)C(=O)CO 1458a_100000210174_200011216223 [0,2,1,0,0,0|1,0,0]=4 1051 B10R0.85 CCCCC(NC)C(=O)OC 2230a_106832991635_100000750740 [0,2,1,0,0,0|0,0,0]=3 1052 B10R0.85 CCCCC(NC)C(=O)OC 34a_100102657272_100000750740 [0,2,1,0,0,0|0,0,0]=3 1053 B10R0.85 CCCCC(NC)C(=O)OC 7a_106832991635_100000750740 [0,2,1,0,0,0|0,0,0]=3 1054 B10R0.85 CCCCC(OC)C(=O)OC 34a_100138415774_100000750740 [0,2,1,0,0,0|1,0,0]=4 1055 B10R0.85 CCCCC(SC)C(=O)OC 62a_100000750740_200000210301 [0,2,1,0,0,0|1,0,0]=4 1056 B10R0.85 CCCCC(SC)C(=O)OC 62a_200000210301_100000750740 [0,2,1,0,0,0|1,0,0]=4 1057 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_100000750740_200025704644 [0,2,1,0,0,0|1,0,0]=4 1058 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_200025704644_100000750740 [0,2,1,0,0,0|1,0,0]=4 1059 B10R0.85 CCCOC(CN)C(=O)OC 34a_100000695228_100000210303 [0,2,1,0,0,0|1,0,0]=4 1060 B10R0.17 CCCCC(C(=O)C)C(=O)N 1458a_100000070787_100000748834 [0,2,1,0,0,0|1,0,0]=4 1061 B10R0.17 CCCCC(C(=O)N)N(C)C 2230a_100102631434_100000748834 [0,2,1,0,0,0|1,0,0]=4 1062 B10R0.17 CCCCC(C(=O)N)N(C)C 269982a_100102631434_100000748834 [0,2,1,0,0,0|1,0,0]=4 1063 B10R0.86 C=C[C@H](NCCCC)C(=O)O 269956a_100016992060_100000210211 [0,2,1,0,0,0|1,0,0]=4 1064 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [0,2,1,0,0,0|1,0,0]=4 1065 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,2,1,0,0,0|1,0,0]=4 1066 B10R0.88 CCCCC(NCC)C(=O)N 2230a_100015525214_100000748834 [0,2,1,0,0,0|1,0,0]=4 1067 B10R0.88 CCCC[C@H](NCC)C(=O)N 2230a_100000124899_100000210202 [0,2,1,0,0,0|1,0,0]=4 1068 B10R0.88 CCCC[C@H](NCC)C(=O)N 34a_100000124899_100000210202 [0,2,1,0,0,0|1,0,0]=4 1069 B10R0.88 CCCC[C@H](NCF)C(=O)N 34a_100000124899_100015361967 [0,2,1,0,0,0|1,0,0]=4 1070 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [0,2,1,0,0,0|1,0,0]=4 1071 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [0,2,1,0,0,0|1,0,0]=4 1072 B10R0.88 CSCC[C@H](NCF)C(=O)O 269956a_100000743919_100015361967 [0,2,1,0,0,0|1,0,0]=4 1073 B10R0.88 C[Se]CC[C@H](NCF)C(=O)O 269956a_100020619752_100015361967 [0,2,1,0,0,0|1,0,0]=4 1074 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,2,1,0,0,0|1,0,0]=4 1075 B10R0.42 CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210207 [0,2,1,0,0,0|1,0,0]=4 1076 B10R0.42 CCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210207 [0,2,1,0,0,0|1,0,0]=4 1077 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,2,1,0,0,0|1,0,0]=4 1078 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,2,1,0,0,0|1,0,0]=4 1079 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,2,1,0,0,0|1,0,0]=4 1080 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,2,1,0,0,0|1,0,0]=4 1081 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,2,1,0,0,0|1,0,0]=4 1082 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,2,1,0,0,0|1,0,0]=4 1083 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,2,1,0,0,0|1,0,0]=4 1084 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,2,1,0,0,0|1,0,0]=4 1085 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [0,2,1,0,0,0|1,0,0]=4 1086 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,2,1,0,0,0|1,0,0]=4 1087 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,2,1,0,0,0|1,0,0]=4 1088 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,2,1,0,0,0|1,0,0]=4 1089 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,2,1,0,0,0|1,0,0]=4 1090 B10R0.75 COCCOC[C@H](N)C(=O)N 34a_100000729942_100011201679 [0,2,1,0,0,0|1,0,0]=4 1091 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,2,1,0,0,0|1,0,0]=4 1092 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,2,1,0,0,0|1,0,0]=4 1093 B10R0.75 CSCCOC[C@H](N)C(=O)N 34a_100000729942_100000212216 [0,2,1,0,0,0|1,0,0]=4 1094 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,2,1,0,0,0|1,0,0]=4 1095 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,2,1,0,0,0|1,0,0]=4 1096 B10R0.75 NC(=O)[C@@H](N)COCCCF 34a_100000729942_100011934791 [0,2,1,0,0,0|1,0,0]=4 1097 B10R0.75 NC(=O)[C@@H](N)COCCCO 34a_100000729942_100000230001 [0,2,1,0,0,0|1,0,0]=4 1098 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,2,1,0,0,0|1,0,0]=4 1099 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,2,1,0,0,0|1,0,0]=4 1100 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,2,1,0,0,0|1,0,0]=4 1101 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,2,1,0,0,0|1,0,0]=4 1102 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,2,1,0,0,0|1,0,0]=4 1103 B10R0.98 CC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000210624 [0,2,1,0,0,0|1,0,0]=4 1104 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,2,1,0,0,0|1,0,0]=4 1105 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,2,1,0,0,0|1,0,0]=4 1106 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,2,1,0,0,0|1,0,0]=4 1107 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,2,1,0,0,0|1,0,0]=4 1108 B10R0.98 CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218427 [0,2,1,0,0,0|1,0,0]=4 1109 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,2,1,0,0,0|1,0,0]=4 1110 B10R0.98 C[C@@H](O)COC[C@H](N)C(=O)N 34a_100000729942_100009817552 [0,2,1,0,0,0|1,0,0]=4 1111 B10R0.99 CCCC(C)(CC)C(=O)CO 1458a_100000210174_200000040151 [0,2,1,0,0,0|1,0,0]=4 1112 B10R0.129 CCCC(C)(C)C(=O)CCO 1458a_100011215034_100000211926 [0,2,1,0,0,0|1,0,0]=4 1113 B10R0.130 CCC(C)(CC)C(=O)CCO 1458a_100000760562_100000211926 [0,2,1,0,0,0|1,0,0]=4 1114 B10R0.130 CCC(C)(CC)C(=O)CCO 1458a_100011216618_100009817345 [0,2,1,0,0,0|1,0,0]=4 1115 B10R0.130 CCC(C)(CC)C(=O)COC 1458a_100000210968_100009817345 [0,2,1,0,0,0|1,0,0]=4 1116 B10R0.136 CCC(CC)(CC)C(=O)CO 1458a_100000210174_200010884430 [0,2,1,0,0,0|1,0,0]=4 1117 B10R1.23 CC(=O)N(C)C1CCCC1 11a_100000207505_100015343762 [1,1,0,0,0,1|1,0,0]=4 1118 B10R1.23 CC(=O)N(C)C1CCCC1 1626a_100000207505_100015343762 [1,1,0,0,0,1|1,0,0]=4 1119 B10R1.23 CC(=O)N(C)C1CCCC1 240690a_100000207505_100015343762 [1,1,0,0,0,1|1,0,0]=4 1120 B10R1.23 CC(=O)N(C)C1CCCC1 527a_100000207505_100103153847 [1,1,0,0,0,1|1,0,0]=4 1121 B10R1.27 C#CC(=O)CC1CCCC1 1458a_100000211873_100000740388 [1,1,0,0,0,1|1,0,0]=4 1122 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [1,1,0,0,0,1|1,0,0]=4 1123 B10R1.27 C=CC(=O)NC1CCCC1 1626a_100000211070_100000185746 [1,1,0,0,0,1|1,0,0]=4 1124 B10R1.27 C=CC(=O)NC1CCCC1 240690a_100000211070_200121576911 [1,1,0,0,0,1|1,0,0]=4 1125 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [1,1,0,0,0,1|1,0,0]=4 1126 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [1,1,0,0,0,1|1,0,0]=4 1127 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [1,1,0,0,0,1|1,0,0]=4 1128 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [1,1,0,0,0,1|1,0,0]=4 1129 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [1,1,0,0,0,1|1,0,0]=4 1130 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [1,1,0,0,0,1|1,0,0]=4 1131 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [1,1,0,0,0,1|1,0,0]=4 1132 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [1,1,0,0,0,1|1,0,0]=4 1133 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [1,1,0,0,0,1|1,0,0]=4 1134 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [1,1,0,0,0,1|1,0,0]=4 1135 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [1,1,0,0,0,1|1,0,0]=4 1136 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [1,1,0,0,0,1|1,0,0]=4 1137 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [1,1,0,0,0,1|1,0,0]=4 1138 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [1,1,0,0,0,1|1,0,0]=4 1139 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [1,1,0,0,0,1|1,0,0]=4 1140 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [1,1,0,0,0,1|1,0,0]=4 1141 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [1,1,0,0,0,1|1,0,0]=4 1142 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [1,1,0,0,0,1|1,0,0]=4 1143 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [1,1,0,0,0,1|1,0,0]=4 1144 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [1,1,0,0,0,1|0,0,0]=3 1145 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [1,1,0,0,0,1|1,0,0]=4 1146 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [1,1,0,0,0,1|1,0,0]=4 1147 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [1,1,0,0,0,1|0,0,0]=3 1148 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [1,1,0,0,0,1|0,0,0]=3 1149 B10R1.27 O=C(CO)N[C@@H]1CCOC1 240690a_200015188469_100000210174 [1,1,0,0,0,1|1,0,0]=4 1150 B10R1.27 O=C(CO)N[C@@H]1CCOC1 527a_200015188469_100000210174 [1,1,0,0,0,1|1,0,0]=4 1151 B10R1.27 O=C(CO)N[C@H]1CCOC1 240690a_100015188467_100000210174 [1,1,0,0,0,1|1,0,0]=4 1152 B10R1.27 O=C(CO)N[C@H]1CCOC1 527a_100015188467_100000210174 [1,1,0,0,0,1|1,0,0]=4 1153 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [1,1,0,0,0,1|1,0,0]=4 1154 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [1,1,0,0,0,1|1,0,0]=4 1155 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [1,1,0,0,0,1|1,0,0]=4 1156 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [1,1,0,0,0,1|1,0,0]=4 1157 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [1,1,0,0,0,1|1,0,0]=4 1158 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [1,1,0,0,0,1|1,0,0]=4 1159 B10R1.377 COCC1(CCCCC1)N 34a_100000740034_200000210301 [1,1,0,0,0,1|0,0,1]=4 1160 B10R1.377 COCC1(CCOCC1)N 34a_100000751404_200000210301 [1,1,0,0,0,1|0,0,1]=4 1161 B10R1.377 [13CH3]OCC1(CCCCC1)N 34a_100000740034_200025704644 [1,1,0,0,0,1|0,0,1]=4 1162 B10R1.377 [13CH3]OCC1(CCOCC1)N 34a_100000751404_200025704644 [1,1,0,0,0,1|0,0,1]=4 1163 B10R1.487 CNC1(CCCCC1)CO 2230a_100000740034_200000210301 [1,1,0,0,0,1|0,0,1]=4 1164 B10R1.487 CNC1(CCCCC1)CO 34a_100000740034_200000210301 [1,1,0,0,0,1|0,0,1]=4 1165 B10R1.487 CNC1(CCOCC1)CO 2230a_100000751404_200000210301 [1,1,0,0,0,1|0,0,1]=4 1166 B10R1.487 CNC1(CCOCC1)CO 34a_100000751404_200000210301 [1,1,0,0,0,1|0,0,1]=4 1167 B10R1.487 [13CH3]NC1(CCCCC1)CO 2230a_100000740034_200025704644 [1,1,0,0,0,1|0,0,1]=4 1168 B10R1.487 [13CH3]NC1(CCCCC1)CO 34a_100000740034_200025704644 [1,1,0,0,0,1|0,0,1]=4 1169 B10R1.487 [13CH3]NC1(CCOCC1)CO 2230a_100000751404_200025704644 [1,1,0,0,0,1|0,0,1]=4 1170 B10R1.487 [13CH3]NC1(CCOCC1)CO 34a_100000751404_200025704644 [1,1,0,0,0,1|0,0,1]=4 1171 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100000210718_100000184674 [1,2,0,0,0,0|1,0,0]=4 1172 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100011220946_100000179811 [1,2,0,0,0,0|1,0,0]=4 1173 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210193_100000179811 [1,2,0,0,0,0|1,0,0]=4 1174 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210718_100000210623 [1,2,0,0,0,0|1,0,0]=4 1175 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [1,2,0,0,0,0|1,0,0]=4 1176 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [1,2,0,0,0,0|1,0,0]=4 1177 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [1,2,0,0,0,0|1,0,0]=4 1178 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [1,2,0,0,0,0|1,0,0]=4 1179 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [1,2,0,0,0,0|1,0,0]=4 1180 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [1,2,0,0,0,0|1,0,0]=4 1181 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [1,2,0,0,0,0|1,0,0]=4 1182 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [1,2,0,0,0,0|1,0,0]=4 1183 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [1,2,0,0,0,0|0,0,0]=3 1184 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [1,2,0,0,0,0|1,0,0]=4 1185 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [1,2,0,0,0,0|1,0,0]=4 1186 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [1,2,0,0,0,0|1,0,0]=4 1187 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [1,2,0,0,0,0|1,0,0]=4 1188 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [1,2,0,0,0,0|1,0,0]=4 1189 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [1,2,0,0,0,0|0,1,0]=4 1190 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100000210718_100011214920 [1,2,0,0,0,0|1,0,0]=4 1191 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100051588842_100000179811 [1,2,0,0,0,0|1,0,0]=4 1192 B10R1.11 O=C(C=CBr)C1CCCC1 1458a_100016273825_100000179811 [1,2,0,0,0,0|1,0,0]=4 1193 B10R1.11 O=C(C=CCl)C1CCCC1 1458a_200016279998_100000179811 [1,2,0,0,0,0|1,0,0]=4 1194 B10R1.11 O=C(C=CI)C1CCCC1 1458a_100016256311_100000179811 [1,2,0,0,0,0|1,0,0]=4 1195 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [1,2,0,0,0,0|1,0,0]=4 1196 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [1,2,0,0,0,0|0,0,0]=3 1197 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [1,2,0,0,0,0|0,0,0]=3 1198 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [1,2,0,0,0,0|1,0,0]=4 1199 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [1,2,0,0,0,0|1,0,0]=4 1200 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [1,2,0,0,0,0|1,0,0]=4 1201 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [1,2,0,0,0,0|1,0,0]=4 1202 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [1,2,0,0,0,0|1,0,0]=4 1203 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [1,2,0,0,0,0|1,0,0]=4 1204 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [1,2,0,0,0,0|1,0,0]=4 1205 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [1,2,0,0,0,0|1,0,0]=4 1206 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [1,2,0,0,0,0|1,0,0]=4 1207 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [1,2,0,0,0,0|1,0,0]=4 1208 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [1,2,0,0,0,0|1,0,0]=4 1209 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [1,2,0,0,0,0|1,0,0]=4 1210 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [1,2,0,0,0,0|1,0,0]=4 1211 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [1,2,0,0,0,0|1,0,0]=4 1212 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [1,2,0,0,0,0|1,0,0]=4 1213 B10R1.14 O=C(CF)C1CCC(C1)O 1458a_100000688591_100015361967 [1,2,0,0,0,0|1,0,0]=4 1214 B10R1.14 O=C(CO)N1CCC(C1)O 240690a_100011215560_100000210174 [1,2,0,0,0,0|1,0,0]=4 1215 B10R1.14 O=C(CO)N1CCC(C1)O 527a_100011215560_100000210174 [1,2,0,0,0,0|1,0,0]=4 1216 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 240690a_100015203821_100000210174 [1,2,0,0,0,0|1,0,0]=4 1217 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 527a_100015203821_100000210174 [1,2,0,0,0,0|1,0,0]=4 1218 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [1,2,0,0,0,0|1,0,0]=4 1219 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [1,2,0,0,0,0|1,0,0]=4 1220 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [1,2,0,0,0,0|1,0,0]=4 1221 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [1,2,0,0,0,0|1,0,0]=4 1222 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [1,2,0,0,0,0|1,0,0]=4 1223 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [1,2,0,0,0,0|1,0,0]=4 1224 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [1,2,0,0,0,0|1,0,0]=4 1225 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [1,2,0,0,0,0|1,0,0]=4 1226 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [1,2,0,0,0,0|1,0,0]=4 1227 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [1,2,0,0,0,0|1,0,0]=4 1228 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [1,2,0,0,0,0|1,0,0]=4 1229 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [1,2,0,0,0,0|1,0,0]=4 1230 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [1,2,0,0,0,0|1,0,0]=4 1231 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [1,2,0,0,0,0|1,0,0]=4 1232 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [1,2,0,0,0,0|0,0,1]=4 1233 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [1,2,0,0,0,0|0,0,0]=3 1234 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [1,2,0,0,0,0|0,0,0]=3 1235 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [1,2,0,0,0,0|1,0,0]=4 1236 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [1,2,0,0,0,0|1,0,0]=4 1237 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [1,2,0,0,0,0|1,0,0]=4 1238 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [1,2,0,0,0,0|1,0,0]=4 1239 B10R1.359 CC(=O)C1CCC(C1)(F)F 1458a_100000696201_200000210301 [1,2,0,0,0,0|1,0,0]=4 1240 B10R1.359 [13CH3]C(=O)C1CCC(C1)(F)F 1458a_100000696201_200025704644 [1,2,0,0,0,0|1,0,0]=4 1241 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [1,2,0,0,0,0|1,0,0]=4 1242 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [1,2,0,0,0,0|1,0,0]=4 1243 B10R1.216 CC1(CCCC1)OCC=O 34a_100000751722_200009817547 [1,2,0,0,0,0|1,0,0]=4 1244 B10R1.216 CC1(CCCC1)OCC=O 7a_100000751722_200015260668 [1,2,0,0,0,0|1,0,0]=4 1245 B10R1.216 CCOCC1(CCCC1)N 34a_100000749328_100000210202 [1,2,0,0,0,0|0,0,1]=4 1246 B10R1.216 NC1(CCCC1)COCF 34a_100000749328_100015361967 [1,2,0,0,0,0|0,0,1]=4 1247 B10R1.529 CCNC1(CCCC1)CO 2230a_100000749328_100000210202 [1,2,0,0,0,0|0,0,1]=4 1248 B10R1.529 CCNC1(CCCC1)CO 34a_100000749328_100000210202 [1,2,0,0,0,0|0,0,1]=4 1249 B10R1.529 CNC1(CCCC1)COC 2230a_100000757996_200000210301 [1,2,0,0,0,0|0,0,1]=4 1250 B10R1.529 CNCC1(CCCC1)CO 2230a_100000699429_200000210301 [1,2,0,0,0,0|0,0,1]=4 1251 B10R1.529 CNCC1(CCCC1)CO 34a_100000699429_200000210301 [1,2,0,0,0,0|0,0,1]=4 1252 B10R1.529 COCC1(CCCC1)CN 34a_100000699429_200000210301 [1,2,0,0,0,0|0,0,1]=4 1253 B10R1.529 COCC1(CCCC1)N[13CH3] 2230a_100000757996_200025704644 [1,2,0,0,0,0|0,0,1]=4 1254 B10R1.529 OCC1(CCCC1)NCF 34a_100000749328_100015361967 [1,2,0,0,0,0|0,0,1]=4 1255 B10R1.529 [13CH3]NCC1(CCCC1)CO 2230a_100000699429_200025704644 [1,2,0,0,0,0|0,0,1]=4 1256 B10R1.529 [13CH3]NCC1(CCCC1)CO 34a_100000699429_200025704644 [1,2,0,0,0,0|0,0,1]=4 1257 B10R1.529 [13CH3]OCC1(CCCC1)CN 34a_100000699429_200025704644 [1,2,0,0,0,0|0,0,1]=4 1258 B10R1.429 CC1(CCC1)CC(=O)CO 1458a_100000210174_100000726658 [0,1,0,0,1,1|1,0,0]=4 1259 B10R1.429 CC1(CCC1)NC(=O)CO 240690a_100000692455_100000210174 [0,1,0,0,1,1|1,0,0]=4 1260 B10R1.429 CC1(CCC1)NC(=O)CO 527a_100000692455_100000210174 [0,1,0,0,1,1|1,0,0]=4 1261 B10R1.364 CC(=O)C1(CCC1)C(=O)N 1458a_100000751621_200000210301 [0,2,0,0,1,0|1,0,0]=4 1262 B10R1.364 [13CH3]C(=O)C1(CCC1)C(=O)N 1458a_100000751621_200025704644 [0,2,0,0,1,0|1,0,0]=4 1263 B10R1.381 CCNC1(CCC1)C(=O)O 269956a_100000688724_100000210202 [0,2,0,0,1,0|0,0,0]=3 1264 B10R1.381 CNCC1(CCC1)C(=O)O 269956a_100000729485_200000210301 [0,2,0,0,1,0|0,0,0]=3 1265 B10R1.381 O=C(O)C1(CCC1)NCF 269956a_100000688724_100015361967 [0,2,0,0,1,0|0,0,0]=3 1266 B10R1.381 [13CH3]NCC1(CCC1)C(=O)O 269956a_100000729485_200025704644 [0,2,0,0,1,0|0,0,0]=3 1267 B10R1.422 CNC1(CCC1)C(=O)OC 34a_100102657272_100000694912 [0,2,0,0,1,0|0,0,0]=3 1268 B10R1.422 CNC1(CCC1)C(=O)OC 7a_106832991635_100000694912 [0,2,0,0,1,0|0,0,0]=3 1269 B10R1.422 COC(=O)C1(CCC1)OC 34a_100000702008_200000210301 [0,2,0,0,1,0|1,0,0]=4 1270 B10R1.422 COC(=O)C1(CCC1)OC 34a_100138415774_100000694912 [0,2,0,0,1,0|1,0,0]=4 1271 B10R1.422 COC(=O)C1(CCC1)OC 7a_100000702008_200000210301 [0,2,0,0,1,0|1,0,0]=4 1272 B10R1.422 COC(=O)C1(CCC1)O[13CH3] 34a_100000702008_200025704644 [0,2,0,0,1,0|1,0,0]=4 1273 B10R1.422 COC(=O)C1(CCC1)O[13CH3] 7a_100000702008_200025704644 [0,2,0,0,1,0|1,0,0]=4 1274 B10R1.422 COC(=O)C1(CCC1)SC 62a_100000694912_200000210301 [0,2,0,0,1,0|1,0,0]=4 1275 B10R1.422 COC(=O)C1(CCC1)SC 62a_200000210301_100000694912 [0,2,0,0,1,0|1,0,0]=4 1276 B10R1.422 COC(=O)C1(CCC1)S[13CH3] 62a_100000694912_200025704644 [0,2,0,0,1,0|1,0,0]=4 1277 B10R1.422 COC(=O)C1(CCC1)S[13CH3] 62a_200025704644_100000694912 [0,2,0,0,1,0|1,0,0]=4 1278 B10R1.401 CC1(CCC1)C(=O)CCO 1458a_100000684636_100000211926 [0,2,0,0,1,0|1,0,0]=4 1279 B10R1.401 O=C(CCO)C1(CCC1)O 1458a_100000242746_100000211926 [0,2,0,0,1,0|1,0,0]=4 1280 B12R1.2346 CNC1(CCCCCC1)C(=O)N 2230a_200000736391_200000210301 [0,1,0,0,0,2|1,0,0]=4 1281 B12R1.2346 CNC1(CCCCCC1)C(=O)N 34a_200000736391_200000210301 [0,1,0,0,0,2|1,0,0]=4 1282 B12R1.2346 CNC1(CCCCCC1)C(=O)O 269956a_100000739333_200000210301 [0,1,0,0,0,2|0,0,0]=3 1283 B12R1.2346 [13CH3]NC1(CCCCCC1)C(=O)N 2230a_200000736391_200025704644 [0,1,0,0,0,2|1,0,0]=4 1284 B12R1.2346 [13CH3]NC1(CCCCCC1)C(=O)N 34a_200000736391_200025704644 [0,1,0,0,0,2|1,0,0]=4 1285 B12R1.2346 [13CH3]NC1(CCCCCC1)C(=O)O 269956a_100000739333_200025704644 [0,1,0,0,0,2|0,0,0]=3 1286 B12R1.3524 CC1(CCCCC1)NC(=O)CO 240690a_100000741114_100000210174 [0,1,0,0,0,2|1,0,0]=4 1287 B12R1.3524 CC1(CCCCC1)NC(=O)CO 527a_100000741114_100000210174 [0,1,0,0,0,2|1,0,0]=4 1288 B12R1.3524 CC1(CCOCC1)NC(=O)CO 240690a_100000692449_100000210174 [0,1,0,0,0,2|1,0,0]=4 1289 B12R1.3524 CC1(CCOCC1)NC(=O)CO 527a_100000692449_100000210174 [0,1,0,0,0,2|1,0,0]=4 1290 B12R1.3862 CNC1(CCCCC1)CC(=O)O 269956a_100000723940_200000210301 [0,1,0,0,0,2|0,0,0]=3 1291 B12R1.3862 CNC1(CCOCC1)CC(=O)O 269956a_100000723900_200000210301 [0,1,0,0,0,2|0,0,0]=3 1292 B12R1.3862 [13CH3]NC1(CCCCC1)CC(=O)O 269956a_100000723940_200025704644 [0,1,0,0,0,2|0,0,0]=3 1293 B12R1.3862 [13CH3]NC1(CCOCC1)CC(=O)O 269956a_100000723900_200025704644 [0,1,0,0,0,2|0,0,0]=3 1294 B12R1.1677 COC(=O)COC1(CCCC1)C 34a_100000751722_100000747449 [0,1,0,0,0,2|1,0,0]=4 1295 B12R1.1677 COC(=O)COC1(CCCC1)C 7a_100000751722_100000747449 [0,1,0,0,0,2|1,0,0]=4 1296 B12R1.1677 O=C(CO)NCC1(CCCC1)O 240690a_100000737848_100000210174 [0,1,0,0,0,2|1,0,0]=4 1297 B12R1.1677 O=C(CO)NCC1(CCCC1)O 527a_100000737848_100000210174 [0,1,0,0,0,2|1,0,0]=4 1298 B12R1.3845 NCC1(CCCC1)OCC(=O)N 34a_100000737848_100000187820 [0,1,0,0,0,2|1,0,0]=4 1299 B12R1.3845 NCC1(CCCC1)OCC(=O)[O-] 34a_100000737848_100020667443 [0,1,0,0,0,2|0,0,1]=4 1300 B12R1.529 CC1(CCN(CC1)CF)C(=O)O 269956a_100000699452_100015361967 [0,2,0,0,0,1|1,0,0]=4 1301 B12R1.529 CCN1CCC(CC1)(C)C(=O)O 269956a_100000699452_100000210202 [0,2,0,0,0,1|1,0,0]=4 1302 B12R1.529 CCN1CCC(CC1)(F)C(=O)O 269956a_100020586884_100000210202 [0,2,0,0,0,1|1,0,0]=4 1303 B12R1.529 O=C(O)C1(CCN(CC1)CF)F 269956a_100020586884_100015361967 [0,2,0,0,0,1|1,0,0]=4 1304 B12R1.3435 COC(=O)C1(CCN(CC1)C)C 2230a_100015186586_200000210301 [0,2,0,0,0,1|1,0,0]=4 1305 B12R1.3435 COC(=O)C1(CCN(CC1)C)C 269982a_100015186586_200000210301 [0,2,0,0,0,1|1,0,0]=4 1306 B12R1.3435 COC(=O)C1(CCN(CC1)C)C 34a_100015186586_200000210301 [0,2,0,0,0,1|1,0,0]=4 1307 B12R1.3435 COC(=O)C1(CCN(CC1)C)O 2230a_100000696052_200000210301 [0,2,0,0,0,1|1,0,0]=4 1308 B12R1.3435 COC(=O)C1(CCN(CC1)C)O 269982a_100000696052_200000210301 [0,2,0,0,0,1|1,0,0]=4 1309 B12R1.3435 COC(=O)C1(CCN(CC1)C)O 34a_100000696052_200000210301 [0,2,0,0,0,1|1,0,0]=4 1310 B12R1.3435 COC(=O)C1(CCN(CC1)[13CH3])C 2230a_100015186586_200025704644 [0,2,0,0,0,1|1,0,0]=4 1311 B12R1.3435 COC(=O)C1(CCN(CC1)[13CH3])C 269982a_100015186586_200025704644 [0,2,0,0,0,1|1,0,0]=4 1312 B12R1.3435 COC(=O)C1(CCN(CC1)[13CH3])C 34a_100015186586_200025704644 [0,2,0,0,0,1|1,0,0]=4 1313 B12R1.3435 COC(=O)C1(CCN(CC1)[13CH3])O 2230a_100000696052_200025704644 [0,2,0,0,0,1|1,0,0]=4 1314 B12R1.3435 COC(=O)C1(CCN(CC1)[13CH3])O 269982a_100000696052_200025704644 [0,2,0,0,0,1|1,0,0]=4 1315 B12R1.3435 COC(=O)C1(CCN(CC1)[13CH3])O 34a_100000696052_200025704644 [0,2,0,0,0,1|1,0,0]=4 1316 B12R1.3824 CCC1(CCN(CC1)C)C(=O)O 269956a_100000698063_200000210301 [0,2,0,0,0,1|1,0,0]=4 1317 B12R1.3824 CCC1(CCN(CC1)[13CH3])C(=O)O 269956a_100000698063_200025704644 [0,2,0,0,0,1|1,0,0]=4 1318 B12R1.3824 CN1CCC(CC1)(N[13CH3])C(=O)O 269956a_200000238635_200025704644 [0,2,0,0,0,1|0,0,0]=3 1319 B12R1.3824 CNC1(CCN(CC1)C)C(=O)O 269956a_200000238635_200000210301 [0,2,0,0,0,1|0,0,0]=3 1320 B12R1.3824 COC1(CCN(CC1)C)C(=O)O 269956a_100020589221_200000210301 [0,2,0,0,0,1|1,0,0]=4 1321 B12R1.3824 COC1(CCN(CC1)[13CH3])C(=O)O 269956a_100020589221_200025704644 [0,2,0,0,0,1|1,0,0]=4 1322 B12R1.661 CC1(CCCCN1CF)C(=O)O 269956a_100000698061_100015361967 [0,2,0,0,0,1|1,0,0]=4 1323 B12R1.661 CCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210202 [0,2,0,0,0,1|1,0,0]=4 1324 B12R1.668 CC1CCCCC1(N[13CH3])C(=O)O 269956a_103496528836_200025704644 [0,2,0,0,0,1|0,0,0]=3 1325 B12R1.668 CCC1(CCCCN1C)C(=O)O 269956a_100015183942_200000210301 [0,2,0,0,0,1|1,0,0]=4 1326 B12R1.668 CCC1(CCCCN1[13CH3])C(=O)O 269956a_100015183942_200025704644 [0,2,0,0,0,1|1,0,0]=4 1327 B12R1.668 CNC1(CCCCC1C)C(=O)O 269956a_103496528836_200000210301 [0,2,0,0,0,1|0,0,0]=3 1328 B12R1.1729 COC(=O)C1(CCCCN1C)C 2230a_100015186357_200000210301 [0,2,0,0,0,1|1,0,0]=4 1329 B12R1.1729 COC(=O)C1(CCCCN1C)C 269982a_100015186357_200000210301 [0,2,0,0,0,1|1,0,0]=4 1330 B12R1.1729 COC(=O)C1(CCCCN1C)C 34a_100015186357_200000210301 [0,2,0,0,0,1|1,0,0]=4 1331 B12R1.1729 COC(=O)C1(CCCCN1[13CH3])C 2230a_100015186357_200025704644 [0,2,0,0,0,1|1,0,0]=4 1332 B12R1.1729 COC(=O)C1(CCCCN1[13CH3])C 269982a_100015186357_200025704644 [0,2,0,0,0,1|1,0,0]=4 1333 B12R1.1729 COC(=O)C1(CCCCN1[13CH3])C 34a_100015186357_200025704644 [0,2,0,0,0,1|1,0,0]=4 1334 B12R1.1595 CC1(CCCCC1)C(=O)CCO 1458a_100000762840_100000211926 [0,2,0,0,0,1|1,0,0]=4 1335 B12R1.1595 CC1(CCOCC1)C(=O)CCO 1458a_100000749465_100000211926 [0,2,0,0,0,1|1,0,0]=4 1336 B12R1.1595 O=C(CCO)C1(CCCCC1)F 1458a_100000069003_100000211926 [0,2,0,0,0,1|1,0,0]=4 1337 B12R1.1595 O=C(CCO)C1(CCCCC1)O 1458a_100000242742_100000211926 [0,2,0,0,0,1|1,0,0]=4 1338 B12R1.1595 O=C(CCO)C1(CCOCC1)F 1458a_100009845733_100000211926 [0,2,0,0,0,1|1,0,0]=4 1339 B12R1.1595 O=C(CCO)C1(CCOCC1)O 1458a_100000751969_100000211926 [0,2,0,0,0,1|1,0,0]=4 1340 B12R1.3454 CNC(=O)C1(CCCCC1)NC 2230a_100000741645_200000210301 [0,2,0,0,0,1|1,0,0]=4 1341 B12R1.3454 CNC(=O)C1(CCCCC1)NC 34a_100000741645_200000210301 [0,2,0,0,0,1|1,0,0]=4 1342 B12R1.3454 CNC(=O)C1(CCCCC1)N[13CH3] 2230a_100000741645_200025704644 [0,2,0,0,0,1|1,0,0]=4 1343 B12R1.3454 CNC(=O)C1(CCCCC1)N[13CH3] 34a_100000741645_200025704644 [0,2,0,0,0,1|1,0,0]=4 1344 B12R1.3454 CNC(=O)C1(CCOCC1)NC 2230a_100025771093_200000210301 [0,2,0,0,0,1|1,0,0]=4 1345 B12R1.3454 CNC(=O)C1(CCOCC1)NC 34a_100025771093_200000210301 [0,2,0,0,0,1|1,0,0]=4 1346 B12R1.3454 CNC(=O)C1(CCOCC1)N[13CH3] 2230a_100025771093_200025704644 [0,2,0,0,0,1|1,0,0]=4 1347 B12R1.3454 CNC(=O)C1(CCOCC1)N[13CH3] 34a_100025771093_200025704644 [0,2,0,0,0,1|1,0,0]=4 1348 B12R1.3454 CNC1(CCCCC1)C(=O)OC 34a_100102657272_100000700894 [0,2,0,0,0,1|0,0,0]=3 1349 B12R1.3454 CNC1(CCCCC1)C(=O)OC 7a_106832991635_100000700894 [0,2,0,0,0,1|0,0,0]=3 1350 B12R1.3454 COC(=O)C1(CCCCC1)OC 34a_100011242881_200000210301 [0,2,0,0,0,1|1,0,0]=4 1351 B12R1.3454 COC(=O)C1(CCCCC1)OC 34a_100138415774_100000700894 [0,2,0,0,0,1|1,0,0]=4 1352 B12R1.3454 COC(=O)C1(CCCCC1)OC 7a_100011242881_200000210301 [0,2,0,0,0,1|1,0,0]=4 1353 B12R1.3454 COC(=O)C1(CCCCC1)O[13CH3] 34a_100011242881_200025704644 [0,2,0,0,0,1|1,0,0]=4 1354 B12R1.3454 COC(=O)C1(CCCCC1)O[13CH3] 7a_100011242881_200025704644 [0,2,0,0,0,1|1,0,0]=4 1355 B12R1.3454 COC(=O)C1(CCCCC1)SC 62a_100000700894_200000210301 [0,2,0,0,0,1|1,0,0]=4 1356 B12R1.3454 COC(=O)C1(CCCCC1)SC 62a_200000210301_100000700894 [0,2,0,0,0,1|1,0,0]=4 1357 B12R1.3454 COC(=O)C1(CCCCC1)S[13CH3] 62a_100000700894_200025704644 [0,2,0,0,0,1|1,0,0]=4 1358 B12R1.3454 COC(=O)C1(CCCCC1)S[13CH3] 62a_200025704644_100000700894 [0,2,0,0,0,1|1,0,0]=4 1359 B12R1.3454 COC(=O)C1(CCNCC1)OC 34a_100000696052_200000210301 [0,2,0,0,0,1|1,0,0]=4 1360 B12R1.3454 COC(=O)C1(CCNCC1)O[13CH3] 34a_100000696052_200025704644 [0,2,0,0,0,1|1,0,0]=4 1361 B12R1.3454 COC(=O)C1(CCOCC1)OC 34a_100000688401_200000210301 [0,2,0,0,0,1|1,0,0]=4 1362 B12R1.3454 COC(=O)C1(CCOCC1)OC 7a_100000688401_200000210301 [0,2,0,0,0,1|1,0,0]=4 1363 B12R1.3454 COC(=O)C1(CCOCC1)O[13CH3] 34a_100000688401_200025704644 [0,2,0,0,0,1|1,0,0]=4 1364 B12R1.3454 COC(=O)C1(CCOCC1)O[13CH3] 7a_100000688401_200025704644 [0,2,0,0,0,1|1,0,0]=4 1365 B12R1.2627 CCNC1(CCCCC1)C(=O)N 2230a_100000746659_100000210202 [0,2,0,0,0,1|1,0,0]=4 1366 B12R1.2627 CCNC1(CCCCC1)C(=O)N 34a_100000746659_100000210202 [0,2,0,0,0,1|1,0,0]=4 1367 B12R1.2627 CCNC1(CCCCC1)C(=O)O 269956a_100000185090_100000210202 [0,2,0,0,0,1|0,0,0]=3 1368 B12R1.2627 CCNC1(CCOCC1)C(=O)O 269956a_100015194771_100000210202 [0,2,0,0,0,1|0,0,0]=3 1369 B12R1.2627 CNCC1(CCCCC1)C(=O)O 269956a_100134617335_200000210301 [0,2,0,0,0,1|0,0,0]=3 1370 B12R1.2627 NC(=O)C1(CCCCC1)NCF 34a_100000746659_100015361967 [0,2,0,0,0,1|1,0,0]=4 1371 B12R1.2627 O=C(O)C1(CCCCC1)NCF 269956a_100000185090_100015361967 [0,2,0,0,0,1|0,0,0]=3 1372 B12R1.2627 O=C(O)C1(CCOCC1)NCF 269956a_100015194771_100015361967 [0,2,0,0,0,1|0,0,0]=3 1373 B12R1.2627 [13CH3]NCC1(CCCCC1)C(=O)O 269956a_100134617335_200025704644 [0,2,0,0,0,1|0,0,0]=3 1374 B12R1.3534 CCC1(CCCC1)NC(=O)CO 240690a_100015183760_100000210174 [0,2,0,0,0,1|1,0,0]=4 1375 B12R1.3534 CCC1(CCCC1)NC(=O)CO 527a_100015183760_100000210174 [0,2,0,0,0,1|1,0,0]=4 1376 B12R1.3534 N#CC1(CCCC1)NC(=O)CO 240690a_100000738132_100000210174 [0,2,0,0,0,1|0,0,1]=4 1377 B12R1.3534 N#CC1(CCCC1)NC(=O)CO 527a_100000738132_100000210174 [0,2,0,0,0,1|0,0,1]=4 1378 B12R1.3534 O=C(CO)NC1(CCCC1)CO 240690a_100000749328_100000210174 [0,2,0,0,0,1|1,0,0]=4 1379 B12R1.3534 O=C(CO)NC1(CCCC1)CO 527a_100000749328_100000210174 [0,2,0,0,0,1|1,0,0]=4 1380 B12R1.3171 CC(=O)NC1(CCCC1)C(=O)N 11a_100000755618_100015343762 [0,2,0,0,0,1|1,0,0]=4 1381 B12R1.3171 CC(=O)NC1(CCCC1)C(=O)N 1626a_100000755618_100015343762 [0,2,0,0,0,1|1,0,0]=4 1382 B12R1.3171 CC(=O)NC1(CCCC1)C(=O)N 527a_100000755618_100103153847 [0,2,0,0,0,1|1,0,0]=4 1383 B12R1.2022 CC1(CCCC1)C(=O)CCCO 1458a_100000239728_100011215043 [0,3,0,0,0,0|1,0,0]=4 1384 B12R1.2022 CC1(CCCC1)C(=O)NCCO 240690a_100000210304_100000239728 [0,3,0,0,0,0|1,0,0]=4 1385 B12R1.2022 CC1(CCCC1)C(=O)NCCO 527a_100000210304_100000239728 [0,3,0,0,0,0|1,0,0]=4 1386 B12R1.2022 COCCC(=O)C1(CCCC1)C 1458a_100000239728_100000233755 [0,3,0,0,0,0|1,0,0]=4 1387 B12R1.2022 COCCC(=O)C1(CCCC1)O 1458a_100000242637_100000233755 [0,3,0,0,0,0|1,0,0]=4 1388 B12R1.2022 O=C(CCCO)C1(CCCC1)O 1458a_100000242637_100011215043 [0,3,0,0,0,0|1,0,0]=4 1389 B12R1.2022 O=C(NCCO)C1(CCCC1)O 240690a_100000210304_100000242637 [0,3,0,0,0,0|1,0,0]=4 1390 B12R1.2022 O=C(NCCO)C1(CCCC1)O 527a_100000210304_100000242637 [0,3,0,0,0,0|1,0,0]=4 1391 B12R1.3395 N#CC1(CCCC1)C(=O)CCO 1458a_100000209868_100000211926 [0,3,0,0,0,0|0,0,1]=4 1392 B12R1.3444 CCN(C)C1(CCCC1)C(=O)O 269956a_106744497834_100000210202 [0,3,0,0,0,0|0,0,0]=3 1393 B12R1.3444 CN(CF)C1(CCCC1)C(=O)O 269956a_106744497834_100015361967 [0,3,0,0,0,0|0,0,0]=3 1394 B12R1.2264 C#CCNC1(CCCC1)C(=O)N 2230a_100000755618_100000038162 [0,3,0,0,0,0|1,0,0]=4 1395 B12R1.2264 C#CCNC1(CCCC1)C(=O)N 34a_100000755618_100000184674 [0,3,0,0,0,0|1,0,0]=4 1396 B12R1.2264 C#CCNC1(CCCC1)C(=O)O 269956a_100000739329_100000184674 [0,3,0,0,0,0|0,0,0]=3 1397 B12R1.2264 C=CCNC1(CCCC1)C(=O)N 2230a_100000755618_100000210623 [0,3,0,0,0,0|1,0,0]=4 1398 B12R1.2264 C=CCNC1(CCCC1)C(=O)N 34a_100000755618_100015514636 [0,3,0,0,0,0|1,0,0]=4 1399 B12R1.2264 C=CCNC1(CCCC1)C(=O)O 269956a_100000739329_100000210623 [0,3,0,0,0,0|0,0,0]=3 1400 B12R1.2264 CCCNC1(CCCC1)C(=O)N 2230a_100000755618_100000210303 [0,3,0,0,0,0|1,0,0]=4 1401 B12R1.2264 CCCNC1(CCCC1)C(=O)N 34a_100000755618_100000210303 [0,3,0,0,0,0|1,0,0]=4 1402 B12R1.2264 CCCNC1(CCCC1)C(=O)O 269956a_100000739329_100000210207 [0,3,0,0,0,0|0,0,0]=3 1403 B12R1.2264 CCNCC1(CCCC1)C(=O)O 269956a_100000695985_100000210202 [0,3,0,0,0,0|0,0,0]=3 1404 B12R1.2264 COCNC1(CCCC1)C(=O)N 2230a_100000755618_100000766300 [0,3,0,0,0,0|1,0,0]=4 1405 B12R1.2264 COCNC1(CCCC1)C(=O)O 269956a_100000739329_100000766300 [0,3,0,0,0,0|0,0,0]=3 1406 B12R1.2264 CSCNC1(CCCC1)C(=O)N 2230a_100000755618_100011218213 [0,3,0,0,0,0|1,0,0]=4 1407 B12R1.2264 CSCNC1(CCCC1)C(=O)N 34a_100000755618_100011218213 [0,3,0,0,0,0|1,0,0]=4 1408 B12R1.2264 CSCNC1(CCCC1)C(=O)O 269956a_100000739329_100011218213 [0,3,0,0,0,0|0,0,0]=3 1409 B12R1.2264 N#CCNC1(CCCC1)C(=O)N 2230a_100000755618_100011215382 [0,3,0,0,0,0|1,0,0]=4 1410 B12R1.2264 N#CCNC1(CCCC1)C(=O)O 269956a_100000739329_100011215382 [0,3,0,0,0,0|0,0,0]=3 1411 B12R1.2264 NC(=O)C1(CCCC1)NCC=O 2230a_100000755618_200015260668 [0,3,0,0,0,0|1,0,0]=4 1412 B12R1.2264 NC(=O)C1(CCCC1)NCC=O 34a_100000755618_200009817547 [0,3,0,0,0,0|1,0,0]=4 1413 B12R1.2264 NC(=O)C1(CCCC1)NCCF 2230a_100000755618_100011217306 [0,3,0,0,0,0|1,0,0]=4 1414 B12R1.2264 NC(=O)C1(CCCC1)NCCF 34a_100000755618_100011217306 [0,3,0,0,0,0|1,0,0]=4 1415 B12R1.2264 NC(=O)C1(CCCC1)NCCO 2230a_100000755618_100000211926 [0,3,0,0,0,0|1,0,0]=4 1416 B12R1.2264 NC(=O)C1(CCCC1)NCCO 34a_100000755618_100000211926 [0,3,0,0,0,0|1,0,0]=4 1417 B12R1.2264 O=C(O)C1(CCCC1)CNCF 269956a_100000695985_100015361967 [0,3,0,0,0,0|0,0,0]=3 1418 B12R1.2264 O=C(O)C1(CCCC1)NCCF 269956a_100000739329_100011217306 [0,3,0,0,0,0|0,0,0]=3 1419 B12R1.2264 O=C(O)C1(CCCC1)NCCO 269956a_100000739329_100000211926 [0,3,0,0,0,0|0,0,0]=3 1420 B12R1.2264 O=CCNC1(CCCC1)C(=O)O 269956a_100000739329_200015260668 [0,3,0,0,0,0|0,0,0]=3 1421 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,1,1,0,0|1,0,0]=4 1422 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,1,1,0,0|1,0,0]=4 1423 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,1,1,0,0|1,0,0]=4 1424 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,1,1,0,0|1,0,0]=4 1425 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,1,1,0,0|1,0,0]=4 1426 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,1,1,0,0|1,0,0]=4 1427 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,1,1,0,0|1,0,0]=4 1428 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,1,1,0,0|1,0,0]=4 1429 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,1,1,0,0|1,0,0]=4 1430 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,1,1,1,0,0|1,0,0]=4 1431 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,1,1,1,0,0|1,0,0]=4 1432 B10R1.205 NC(=O)[C@@H](N)COC1CC1 34a_100000729942_100000211595 [0,1,1,1,0,0|1,0,0]=4 1433 B10R1.205 O=C(O)C(F)CNC1CC1 269956a_100000084737_100000211595 [0,1,1,1,0,0|1,0,0]=4 1434 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,1,1,0,0|1,0,0]=4 1435 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,1,1,0,0|1,0,0]=4 1436 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,1,1,1,0,0|1,0,0]=4 1437 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,1,1,1,0,0|1,0,0]=4 1438 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,1,1,1,0,0|1,0,0]=4 1439 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,1,1,1,0,0|1,0,0]=4 1440 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,1,1,1,0,0|1,0,0]=4 1441 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,1,1,1,0,0|1,0,0]=4 1442 B10R1.219 CNC(C(=O)O)C1CCC1 269956a_100000765838_200000210301 [0,1,1,1,0,0|0,0,0]=3 1443 B10R1.219 [13CH3]NC(C(=O)O)C1CCC1 269956a_100000765838_200025704644 [0,1,1,1,0,0|0,0,0]=3 1444 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,1,1,1,0,0|1,0,0]=4 1445 B10R1.93 CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210202 [0,1,1,1,0,0|1,0,0]=4 1446 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,0,2,0|1,0,0]=4 1447 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,0,2,0|1,0,0]=4 1448 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [1,0,1,0,0,1|1,0,0]=4 1449 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [1,0,1,0,0,1|1,0,0]=4 1450 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [1,0,1,0,0,1|1,0,0]=4 1451 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [1,0,1,0,0,1|1,0,0]=4 1452 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [1,0,1,0,0,1|1,0,0]=4 1453 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [1,0,1,0,0,1|1,0,0]=4 1454 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [1,0,1,0,0,1|1,0,0]=4 1455 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [1,0,1,0,0,1|1,0,0]=4 1456 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,0,1,0,0,2|1,0,0]=4 1457 B10R0.121 CCC(C)(CC)NCC(=O)O 269956a_100016091260_100009817345 [0,0,1,0,0,2|1,0,0]=4 1458 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [1,0,0,0,0,2|1,0,0]=4 1459 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [1,0,0,0,0,2|1,0,0]=4 1460 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [1,0,0,0,0,2|1,0,0]=4 1461 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [1,0,0,0,0,2|1,0,0]=4 1462 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [1,0,0,0,0,2|1,0,0]=4 1463 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [1,0,0,0,0,2|1,0,0]=4 1464 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [1,0,0,0,0,2|1,0,0]=4 1465 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [1,0,0,0,0,2|1,0,0]=4 1466 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [1,0,0,0,0,2|1,0,0]=4 1467 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [1,0,0,0,0,2|1,0,0]=4 1468 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [1,0,0,0,0,2|1,0,0]=4 1469 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [1,0,0,0,0,2|1,0,0]=4 1470 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [1,0,0,0,0,2|1,0,0]=4 1471 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [1,0,0,0,0,2|1,0,0]=4 1472 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [1,0,0,0,0,2|1,0,0]=4 1473 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [1,0,0,0,0,2|1,0,0]=4 1474 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [1,0,0,0,0,2|0,0,0]=3 1475 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [1,0,0,0,0,2|1,0,0]=4 1476 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [1,0,0,0,0,2|0,0,1]=4 1477 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [1,0,0,0,0,2|0,0,1]=4 1478 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [1,0,0,0,0,2|0,0,1]=4 1479 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [1,0,0,0,0,2|0,0,1]=4 1480 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [1,0,0,0,0,2|1,0,0]=4 1481 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [1,0,0,0,0,2|1,0,0]=4 1482 B12R1.1809 NC(=O)COCC1(CCCC1)N 34a_100000749328_100000187820 [0,0,0,0,0,3|1,0,0]=4 1483 B12R1.1809 NC1(CCCC1)COCC(=O)[O-] 34a_100000749328_100020667443 [0,0,0,0,0,3|0,0,1]=4