0 B10R0.96 C=C(C)CCN(C)CC(=O)N 2230a_100000739694_100000730704 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.96 C=C(C)CCN(C)CC(=O)O 269956a_100000746989_100000730704 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.96 C=C(C)CN(C)CCC(=O)C 269982a_100000225649_100000053229 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.96 C=C(C)CN(C)CCC(=O)N 2230a_100000225649_100000744528 [0,0,0,0,0,0|4,0,0]=4 4 B10R0.96 C=C(C)CN(C)CCC(=O)N 2230a_100000730477_100000748629 [0,0,0,0,0,0|4,0,0]=4 5 B10R0.96 C=C(C)CN(C)CCC(=O)N 269982a_100000225649_100000744528 [0,0,0,0,0,0|4,0,0]=4 6 B10R0.96 C=C(F)CN(C)CCC(=O)N 2230a_100000730477_100009893438 [0,0,0,0,0,0|4,0,0]=4 7 B10R0.96 CC(=CCN(C)CC(=O)O)C 269956a_100000746989_100000761012 [0,0,0,0,0,0|3,0,1]=4 8 B10R0.96 CC(=O)CC(C)CSC(=O)C 1458a_100000070787_200000116872 [0,0,0,0,0,0|3,0,0]=3 9 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,0,0,0,0,0|2,0,0]=2 10 B10R0.96 CC(=O)CCN(C)CC(C)O 269982a_100000227577_100000053229 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.96 CC(=O)OC(C)NCC(=O)O 269956a_100016091260_100009818208 [0,0,0,0,0,0|3,0,0]=3 12 B10R0.96 CC(=O)OC(C)SCC(=O)N 62a_100000747473_100009818208 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.96 CC(=O)OC(C)SCC(=O)N 62a_100009818208_100000747473 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.96 CC(=O)OC(C)SCC(=O)[O-] 62a_100009818208_100020667443 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.96 CC(=O)OC(C)SCC(=O)[O-] 62a_100020667443_100009818208 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.96 CC(=O)OCN(C)CC(=O)O 269956a_100000746989_100000076356 [0,0,0,0,0,0|3,0,0]=3 17 B10R0.96 CC(C)CC(C)NCC(=O)O 269956a_100016091260_100000731052 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.96 CC(CN(C)C)NCC(=O)O 269956a_100016091260_100020606517 [0,0,0,0,0,0|4,0,0]=4 20 B10R0.96 CC(O)CCN(C)CC(=O)N 2230a_100000739694_100012276601 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.96 CC(O)CCN(C)CC(=O)O 269956a_100000746989_100012276601 [0,0,0,0,0,0|2,0,1]=3 22 B10R0.96 CC(O)CN(C)CCC(=O)N 2230a_100000227577_100000744528 [0,0,0,0,0,0|3,0,1]=4 23 B10R0.96 CC(O)CN(C)CCC(=O)N 2230a_100000730477_100011218427 [0,0,0,0,0,0|3,0,1]=4 24 B10R0.96 CC(O)CN(C)CCC(=O)N 269982a_100000227577_100000744528 [0,0,0,0,0,0|3,0,1]=4 25 B10R0.96 CN(C)CCN(C)CC(=O)O 269956a_100000746989_100000755713 [0,0,0,0,0,0|4,0,0]=4 26 B10R0.96 CN(CCC(=O)N)CC(=O)N 2230a_100000730477_100000747473 [0,0,0,0,0,0|3,0,0]=3 27 B10R0.96 CN(CCC(=O)N)CC(=O)N 2230a_100000739694_100000744528 [0,0,0,0,0,0|3,0,0]=3 28 B10R0.96 CN(CCC(=O)N)CC(=O)O 269956a_100000746989_100000744528 [0,0,0,0,0,0|2,0,0]=2 29 B10R0.96 C[C@@H](O)CN(C)CCC(=O)N 2230a_100000730477_100009817552 [0,0,0,0,0,0|3,0,1]=4 30 B10R0.96 NC(=O)CCC(=O)CC(=O)N 1458a_100011215257_100000187820 [0,0,0,0,0,0|3,0,1]=4 31 B10R0.96 NC(=O)CCC(=O)CC(=O)[O-] 1458a_100011215257_100020667443 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.4 C#CCCN(C)CC(=O)O 269956a_100000746989_100000688953 [1,0,0,0,0,0|2,0,1]=4 33 B9R0.4 C/C=C/CN(C)CC(=O)O 269956a_100000746989_100102629194 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.4 C=CCCN(C)CC(=O)N 2230a_100000739694_100000754431 [1,0,0,0,0,0|3,0,0]=4 35 B9R0.4 C=CCCN(C)CC(=O)N 2230a_100020639649_100000747473 [1,0,0,0,0,0|3,0,0]=4 36 B9R0.4 C=CCCN(C)CC(=O)N 269982a_100020639649_100000187820 [1,0,0,0,0,0|3,0,0]=4 37 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [1,0,0,0,0,0|2,0,0]=3 38 B9R0.4 C=CCCN(C)CC(=O)[O-] 269982a_100020639649_100020667443 [1,0,0,0,0,0|2,0,1]=4 39 B9R0.4 CC(=O)OC(C)SCC=O 62a_100009818208_200015260668 [1,0,0,0,0,0|3,0,0]=4 40 B9R0.4 CC(=O)OC(C)SCC=O 62a_200015260668_100009818208 [1,0,0,0,0,0|3,0,0]=4 41 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [1,0,0,0,0,0|2,0,1]=4 42 B9R0.4 CN(CCC#N)CC(=O)O 269956a_100000746989_100011215226 [1,0,0,0,0,0|2,0,1]=4 43 B9R0.4 CN(CCC#N)CC(=O)O 269956a_100011218032_200000210301 [1,0,0,0,0,0|2,0,1]=4 44 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [1,0,0,0,0,0|2,0,1]=4 45 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000213112_100000747473 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000739694_100000230001 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.4 CN(CCCO)CC(=O)N 269982a_100000213112_100000187820 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [1,0,0,0,0,0|1,0,1]=3 49 B9R0.4 CN(CCCO)CC(=O)[O-] 269982a_100000213112_100020667443 [1,0,0,0,0,0|1,0,2]=4 50 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [1,0,0,0,0,0|3,0,0]=4 51 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [1,0,0,0,0,0|3,0,0]=4 52 B9R0.4 [13CH3]N(CCC#N)CC(=O)O 269956a_100011218032_200025704644 [1,0,0,0,0,0|2,0,1]=4 53 B9R0.48 C=CCN(C)CCC(=O)C 269982a_100000225617_100000053229 [1,0,0,0,0,0|3,0,0]=4 54 B9R0.48 C=CCN(C)CCC(=O)N 2230a_100000225617_100000744528 [1,0,0,0,0,0|3,0,0]=4 55 B9R0.48 C=CCN(C)CCC(=O)N 2230a_100000730477_100000210623 [1,0,0,0,0,0|3,0,0]=4 56 B9R0.48 C=CCN(C)CCC(=O)N 269982a_100000225617_100000744528 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.48 C=CC[C@@H](C)OCC(=O)N 34a_100000731007_100000187820 [1,0,0,0,0,0|3,0,0]=4 58 B9R0.48 C=CC[C@@H](C)OCC(=O)N 7a_100000731007_100000187820 [1,0,0,0,0,0|3,0,0]=4 59 B9R0.48 C=CC[C@@H](C)OCC(=O)[O-] 34a_100000731007_100020667443 [1,0,0,0,0,0|2,0,1]=4 60 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [1,0,0,0,0,0|2,0,1]=4 61 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [1,0,0,0,0,0|2,0,1]=4 62 B9R0.48 CC(CC#N)NCC(=O)O 269956a_100016091260_100009813641 [1,0,0,0,0,0|2,0,1]=4 63 B9R0.48 CC(CCO)NCC(=O)N 2230a_100000711301_100009893172 [1,0,0,0,0,0|2,0,1]=4 64 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [1,0,0,0,0,0|1,0,1]=3 65 B9R0.48 CC(CCO)SCC(=O)N 62a_100000747473_100009893172 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.48 CC(CCO)SCC(=O)N 62a_100009893172_100000747473 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100009893172_100020667443 [1,0,0,0,0,0|1,0,2]=4 68 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100020667443_100009893172 [1,0,0,0,0,0|1,0,2]=4 69 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.48 CN(CC=O)CCC(=O)N 2230a_100000730477_200015260668 [1,0,0,0,0,0|2,0,0]=3 71 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000210263_100000744528 [1,0,0,0,0,0|2,0,1]=4 72 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000730477_100000211926 [1,0,0,0,0,0|2,0,1]=4 73 B9R0.48 CN(CCO)CCC(=O)N 269982a_100000210263_100000744528 [1,0,0,0,0,0|2,0,1]=4 74 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [1,0,0,0,0,0|3,0,0]=4 75 B9R0.48 C[C@H](CCO)NCC(=O)N 2230a_100000706166_100000747473 [1,0,0,0,0,0|2,0,1]=4 76 B9R0.48 C[C@H](CCO)NCC(=O)N 34a_100000706166_100000187820 [1,0,0,0,0,0|2,0,1]=4 77 B9R0.48 C[C@H](CCO)NCC(=O)[O-] 34a_100000706166_100020667443 [1,0,0,0,0,0|1,0,2]=4 78 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [1,0,0,0,0,0|3,0,0]=4 79 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [1,0,0,0,0,0|2,0,1]=4 80 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,0,0,0,0,0|2,0,0]=3 81 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [1,0,0,0,0,0|3,0,0]=4 82 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,0,0,0,0,0|3,0,0]=4 83 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [1,0,0,0,0,0|3,0,0]=4 84 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [1,0,0,0,0,0|2,0,0]=3 85 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [1,0,0,0,0,0|3,0,0]=4 86 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [1,0,0,0,0,0|3,0,0]=4 87 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [1,0,0,0,0,0|3,0,0]=4 88 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [1,0,0,0,0,0|2,0,1]=4 89 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [1,0,0,0,0,0|3,0,0]=4 90 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [1,0,0,0,0,0|3,0,0]=4 91 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [1,0,0,0,0,0|3,0,0]=4 92 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [1,0,0,0,0,0|2,0,1]=4 93 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [1,0,0,0,0,0|2,0,1]=4 94 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [1,0,0,0,0,0|3,0,0]=4 95 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [1,0,0,0,0,0|3,0,0]=4 96 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [1,0,0,0,0,0|3,0,0]=4 97 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [1,0,0,0,0,0|3,0,0]=4 98 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [1,0,0,0,0,0|3,0,0]=4 99 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [1,0,0,0,0,0|2,0,1]=4 100 B9R0.55 NC(=O)CCNCC(=O)N 2230a_100000711301_100000744528 [1,0,0,0,0,0|3,0,0]=4 101 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [1,0,0,0,0,0|2,0,0]=3 102 B9R0.55 NC(=O)CCOCC(=O)N 34a_100000757172_100000187820 [1,0,0,0,0,0|3,0,0]=4 103 B9R0.55 NC(=O)CCOCC(=O)N 7a_100000757172_100000187820 [1,0,0,0,0,0|3,0,0]=4 104 B9R0.55 NC(=O)CCOCC(=O)[O-] 34a_100000757172_100020667443 [1,0,0,0,0,0|2,0,1]=4 105 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [1,0,0,0,0,0|3,0,0]=4 106 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [1,0,0,0,0,0|3,0,0]=4 107 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [1,0,0,0,0,0|2,0,1]=4 108 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [1,0,0,0,0,0|2,0,1]=4 109 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [1,0,0,0,0,0|3,0,0]=4 110 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [1,0,0,0,0,0|2,0,1]=4 111 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [1,0,0,0,0,0|3,0,0]=4 112 B11R0.33 CC(=O)C(=O)CN(C)CC(=O)O 269956a_100000746989_100011261029 [0,1,0,0,0,0|2,0,1]=4 113 B11R0.33 CC(=O)OC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009818208 [0,1,0,0,0,0|3,0,0]=4 114 B11R0.93 C#CC(=O)CC(C)CSC(=O)C 1458a_100000211873_200000116872 [0,1,0,0,0,0|3,0,0]=4 115 B11R0.93 C=C(C)CCN(C)CC(=O)OC 2230a_100000198492_100000730704 [0,1,0,0,0,0|3,0,0]=4 116 B11R0.93 C=C(C)COC(C)CC(=O)OC 34a_100000210245_100009817358 [0,1,0,0,0,0|3,0,0]=4 117 B11R0.93 C=C(C)CSC(C)CC(=O)OC 62a_100000748629_100009817358 [0,1,0,0,0,0|3,0,0]=4 118 B11R0.93 C=C(C)CSC(C)CC(=O)OC 62a_100009817358_100000211660 [0,1,0,0,0,0|3,0,0]=4 119 B11R0.93 C=C(F)COC(C)CC(=O)OC 34a_200010262243_100009817358 [0,1,0,0,0,0|3,0,0]=4 120 B11R0.93 C=C(F)CSC(C)CC(=O)OC 62a_100000042424_100009817358 [0,1,0,0,0,0|3,0,0]=4 121 B11R0.93 C=C(F)CSC(C)CC(=O)OC 62a_100009817358_100000042424 [0,1,0,0,0,0|3,0,0]=4 122 B11R0.93 C=CC(=O)CC(C)CSC(=O)C 1458a_100000185746_200000116872 [0,1,0,0,0,0|3,0,0]=4 123 B11R0.93 CC(=O)SCC(C)CC(=O)CO 1458a_100000210174_200000116872 [0,1,0,0,0,0|2,0,0]=3 124 B11R0.93 CCC(=O)CC(C)CSC(=O)C 1458a_100000210414_200000116872 [0,1,0,0,0,0|3,0,0]=4 125 B11R0.93 CNC(=O)CN(C)CCC(=O)N 2230a_100000189611_100000744528 [0,1,0,0,0,0|3,0,0]=4 126 B11R0.93 CNC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000183359 [0,1,0,0,0,0|3,0,0]=4 127 B11R0.93 COC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000747449 [0,1,0,0,0,0|2,0,1]=4 128 B11R0.93 COC(=O)CC(C)NCC(=O)N 2230a_100000711301_100009817358 [0,1,0,0,0,0|2,0,0]=3 129 B11R0.93 COC(=O)CC(C)NCC(=O)O 269956a_100016091260_100009817358 [0,1,0,0,0,0|1,0,0]=2 130 B11R0.93 COC(=O)CC(C)NCC(C)O 2230a_100000210904_100009817358 [0,1,0,0,0,0|2,0,1]=4 131 B11R0.93 COC(=O)CC(C)NCC(C)O 34a_100000210904_100009817358 [0,1,0,0,0,0|2,0,1]=4 132 B11R0.93 COC(=O)CC(C)OCC(=O)C 34a_100000211253_100009817358 [0,1,0,0,0,0|2,0,0]=3 133 B11R0.93 COC(=O)CC(C)SCC(=O)N 62a_100000747473_100009817358 [0,1,0,0,0,0|2,0,0]=3 134 B11R0.93 COC(=O)CC(C)SCC(=O)N 62a_100009817358_100000747473 [0,1,0,0,0,0|2,0,0]=3 135 B11R0.93 COC(=O)CC(C)SCC(=O)[O-] 62a_100009817358_100020667443 [0,1,0,0,0,0|1,0,1]=3 136 B11R0.93 COC(=O)CC(C)SCC(=O)[O-] 62a_100020667443_100009817358 [0,1,0,0,0,0|1,0,1]=3 137 B11R0.93 COC(=O)CC(C)SCC(C)O 62a_100009817358_100011218427 [0,1,0,0,0,0|2,0,1]=4 138 B11R0.93 COC(=O)CC(C)SCC(C)O 62a_100011218427_100009817358 [0,1,0,0,0,0|2,0,1]=4 139 B11R0.93 COC(=O)CC(C)SC[C@@H](C)O 62a_100009817358_100009817552 [0,1,0,0,0,0|2,0,1]=4 140 B11R0.93 COC(=O)CC(C)SC[C@@H](C)O 62a_100009817552_100009817358 [0,1,0,0,0,0|2,0,1]=4 141 B11R0.93 COC(=O)CC(C)SC[N+](=O)[O-] 62a_100009817358_100000761209 [0,1,0,0,0,0|2,0,1]=4 142 B11R0.93 COC(=O)CC(O)CNC(=O)C 188690a_100025770978_100015343762 [0,1,0,0,0,0|3,0,0]=4 143 B11R0.93 COC(=O)CN(C)CCC(=O)N 2230a_100000198492_100000744528 [0,1,0,0,0,0|2,0,0]=3 144 B11R0.93 COC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000747449 [0,1,0,0,0,0|2,0,0]=3 145 B11R0.93 COC(=O)CN(C)CCC(C)O 2230a_100000198492_100012276601 [0,1,0,0,0,0|2,0,1]=4 146 B11R0.107 C=C(C)CN(C)CCC(=O)OC 2230a_100000225649_100000204255 [0,1,0,0,0,0|3,0,0]=4 147 B11R0.107 C=C(C)CN(C)CCC(=O)OC 269982a_100000225649_100000204255 [0,1,0,0,0,0|3,0,0]=4 148 B11R0.107 C=C(C)CN(C)CCC(=O)OC 269982a_100025711912_100000748629 [0,1,0,0,0,0|3,0,0]=4 149 B11R0.107 C=C(F)CN(C)CCC(=O)OC 269982a_100025711912_100009893438 [0,1,0,0,0,0|3,0,0]=4 150 B11R0.107 CNC(=O)CCN(C)CC(=O)N 2230a_100000739694_100000737683 [0,1,0,0,0,0|3,0,0]=4 151 B11R0.107 CNC(=O)CCN(C)CC(=O)N 2230a_100000750875_100000747473 [0,1,0,0,0,0|3,0,0]=4 152 B11R0.107 CNC(=O)CCN(C)CC(=O)N 269982a_100000750875_100000187820 [0,1,0,0,0,0|3,0,0]=4 153 B11R0.107 CNC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000737683 [0,1,0,0,0,0|2,0,0]=3 154 B11R0.107 CNC(=O)CCN(C)CC(=O)[O-] 269982a_100000750875_100020667443 [0,1,0,0,0,0|2,0,1]=4 155 B11R0.107 COC(=O)CCC(=O)CC(=O)C 1458a_100000070787_100000691467 [0,1,0,0,0,0|2,0,1]=4 156 B11R0.107 COC(=O)CCC(=O)CC(=O)N 1458a_100000187943_100000187820 [0,1,0,0,0,0|2,0,1]=4 157 B11R0.107 COC(=O)CCC(=O)CC(=O)[O-] 1458a_100000187943_100020667443 [0,1,0,0,0,0|1,0,2]=4 158 B11R0.107 COC(=O)CCN(C)CC(=O)N 2230a_100000739694_100000204255 [0,1,0,0,0,0|2,0,0]=3 159 B11R0.107 COC(=O)CCN(C)CC(=O)N 269982a_100025711912_100000187820 [0,1,0,0,0,0|2,0,0]=3 160 B11R0.107 COC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000204255 [0,1,0,0,0,0|1,0,0]=2 161 B11R0.107 COC(=O)CCN(C)CC(=O)[O-] 269982a_100025711912_100020667443 [0,1,0,0,0,0|1,0,1]=3 162 B11R0.107 COC(=O)CCN(C)CC(C)O 2230a_100000227577_100000204255 [0,1,0,0,0,0|2,0,1]=4 163 B11R0.107 COC(=O)CCN(C)CC(C)O 269982a_100000227577_100000204255 [0,1,0,0,0,0|2,0,1]=4 164 B11R0.107 COC(=O)CCN(C)CC(C)O 269982a_100025711912_100011218427 [0,1,0,0,0,0|2,0,1]=4 165 B11R0.107 COC(=O)CCN(C)C[C@@H](C)O 269982a_100025711912_100009817552 [0,1,0,0,0,0|2,0,1]=4 166 B11R0.107 COC(=O)CCN(C)C[N+](=O)[O-] 269982a_100025711912_100000761209 [0,1,0,0,0,0|2,0,1]=4 167 B11R0.107 COC(=O)CSC(C)OC(=O)C 62a_100000747449_100009818208 [0,1,0,0,0,0|3,0,0]=4 168 B11R0.107 COC(=O)CSC(C)OC(=O)C 62a_100009818208_100000747449 [0,1,0,0,0,0|3,0,0]=4 169 B11R0.143 C=C(C)CCN(CC)CC(=O)O 269956a_100000746405_100000730704 [0,1,0,0,0,0|3,0,0]=4 170 B11R0.143 C=C(C)CN[C@H](CC)CC(=O)O 269956a_100016995926_100000748629 [0,1,0,0,0,0|3,0,0]=4 171 B11R0.143 C=C(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000748629 [0,1,0,0,0,0|3,0,0]=4 172 B11R0.143 C=C(F)CN[C@H](CC)CC(=O)O 269956a_100016995926_100000042424 [0,1,0,0,0,0|3,0,0]=4 173 B11R0.143 C=C(F)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000042424 [0,1,0,0,0,0|3,0,0]=4 174 B11R0.143 CC(=O)CCN(CO)CC(=O)[O-] 269956a_100016989150_100000053229 [0,1,0,0,0,0|2,0,1]=4 175 B11R0.143 CC(O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100011218427 [0,1,0,0,0,0|2,0,1]=4 176 B11R0.143 CCN(CCC(=O)C)CC(=O)O 269956a_100000746405_100000053229 [0,1,0,0,0,0|2,0,0]=3 177 B11R0.143 CCN(CCC(=O)N)CC(=O)N 2230a_100020645749_100000747473 [0,1,0,0,0,0|3,0,0]=4 178 B11R0.143 CCN(CCC(=O)N)CC(=O)O 269956a_100000746405_100000744528 [0,1,0,0,0,0|2,0,0]=3 179 B11R0.143 CCN(CCC(C)O)CC(=O)O 269956a_100000746405_100012276601 [0,1,0,0,0,0|2,0,1]=4 180 B11R0.143 CCN(COC(=O)C)CC(=O)O 269956a_100000746405_100000076356 [0,1,0,0,0,0|3,0,0]=4 181 B11R0.143 CC[C@H](CC(=O)O)NCC(=O)N 269956a_100016995926_100000187820 [0,1,0,0,0,0|2,0,0]=3 182 B11R0.143 CC[C@H](CC(=O)O)NCC(=O)[O-] 269956a_100016995926_100020667443 [0,1,0,0,0,0|1,0,1]=3 183 B11R0.143 CC[C@H](CC(=O)O)NCC(C)O 269956a_100016995926_100011218427 [0,1,0,0,0,0|2,0,1]=4 184 B11R0.143 CC[C@H](CC(=O)O)NC[C@@H](C)O 269956a_100016995926_100009817552 [0,1,0,0,0,0|2,0,1]=4 185 B11R0.143 CC[C@H](CC(=O)O)NC[N+](=O)[O-] 269956a_100016995926_100000761209 [0,1,0,0,0,0|2,0,1]=4 186 B11R0.143 C[C@@H](O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100009817552 [0,1,0,0,0,0|2,0,1]=4 187 B11R0.143 NC(=O)CCN(CO)CC(=O)[O-] 269956a_100016989150_100000744528 [0,1,0,0,0,0|2,0,1]=4 188 B11R0.143 NC(=O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000187820 [0,1,0,0,0,0|2,0,0]=3 189 B11R0.143 O=C(O)C[C@@H](CO)NC[N+](=O)[O-] 269956a_100009816507_100000761209 [0,1,0,0,0,0|2,0,1]=4 190 B11R0.143 O=C([O-])CN[C@H](CO)CC(=O)O 269956a_100009816507_100020667443 [0,1,0,0,0,0|1,0,1]=3 191 B11R0.149 CC(=O)OC(C)N(C)CC(=O)O 269956a_100000746989_100009818208 [0,1,0,0,0,0|3,0,0]=4 192 B11R0.173 C=C(C)CCN(C)C(C)C(=O)O 269956a_100000749554_100000730704 [0,1,0,0,0,0|3,0,0]=4 193 B11R0.173 CC(=O)C(C)N(C)CCC(=O)N 2230a_100000730477_100009814033 [0,1,0,0,0,0|3,0,0]=4 194 B11R0.173 CC(=O)CCN(C)C(C)C(=O)O 269956a_100000749554_100000053229 [0,1,0,0,0,0|2,0,0]=3 195 B11R0.173 CC(=O)OCN(C)C(C)C(=O)O 269956a_100000749554_100000076356 [0,1,0,0,0,0|3,0,0]=4 196 B11R0.173 CC(C(=O)N)N(C)CCC(=O)N 2230a_100000730477_100000702099 [0,1,0,0,0,0|3,0,0]=4 197 B11R0.173 CC(C(=O)O)N(C)CCC(=O)N 269956a_100000749554_100000744528 [0,1,0,0,0,0|2,0,0]=3 198 B11R0.173 CC(O)CCN(C)C(C)C(=O)O 269956a_100000749554_100012276601 [0,1,0,0,0,0|2,0,1]=4 199 B11R0.173 CN(CCC(=O)N)C(F)C(=O)N 2230a_100000730477_100009813875 [0,1,0,0,0,0|3,0,0]=4 200 B11R0.173 C[C@@H](OCC(=O)N)[C@H](N)C(=O)N 34a_100000003557_100000187820 [0,1,0,0,0,0|3,0,0]=4 201 B11R0.173 C[C@@H](OCC(=O)[O-])[C@H](N)C(=O)N 34a_100000003557_100020667443 [0,1,0,0,0,0|2,0,1]=4 202 B11R0.232 C=C(C)CNC(C)(C)CC(=O)O 269956a_100000755897_100000748629 [0,1,0,0,0,0|3,0,0]=4 203 B11R0.232 C=C(F)CNC(C)(C)CC(=O)O 269956a_100000755897_100000042424 [0,1,0,0,0,0|3,0,0]=4 204 B11R0.232 CC(=O)CC(C)(C)OCC(=O)N 7a_100000210262_100000187820 [0,1,0,0,0,0|3,0,0]=4 205 B11R0.232 CC(C)(CC(=O)N)NCC(=O)N 2230a_100000763158_100000747473 [0,1,0,0,0,0|3,0,0]=4 206 B11R0.232 CC(C)(CC(=O)O)NCC(=O)N 269956a_100000755897_100000187820 [0,1,0,0,0,0|2,0,0]=3 207 B11R0.232 CC(C)(CC(=O)O)NCC(=O)[O-] 269956a_100000755897_100020667443 [0,1,0,0,0,0|1,0,1]=3 208 B11R0.232 CC(C)(CC(=O)O)NC[N+](=O)[O-] 269956a_100000755897_100000761209 [0,1,0,0,0,0|2,0,1]=4 209 B11R0.232 CC(O)CNC(C)(C)CC(=O)O 269956a_100000755897_100011218427 [0,1,0,0,0,0|2,0,1]=4 210 B11R0.232 C[C@@H](O)CNC(C)(C)CC(=O)O 269956a_100000755897_100009817552 [0,1,0,0,0,0|2,0,1]=4 211 B11R0.337 CN(CCC(C)(C)O)CC(=O)O 269956a_100000746989_100000702414 [0,1,0,0,0,0|2,0,1]=4 212 B11R0.337 CN(CCS(=O)(=O)C)CC(=O)O 269956a_100000746989_100000731031 [0,1,0,0,0,0|2,0,1]=4 213 B11R0.337 CN(CCS(=O)(=O)[O-])CC(=O)O 269956a_100000746989_100000762736 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [0,0,0,1,0,0|2,0,1]=4 215 B11R1.20 CC(=O)NC1CCC(=O)NC1 11a_100000748762_100015343762 [0,0,0,1,0,0|3,0,0]=4 216 B11R1.20 CC(=O)NC1CCC(=O)NC1 1626a_100000748762_100015343762 [0,0,0,1,0,0|3,0,0]=4 217 B11R1.20 CC(=O)NC1CCC(=O)NC1 240690a_100000748762_100015343762 [0,0,0,1,0,0|3,0,0]=4 218 B11R1.20 CC(=O)NC1CCC(=O)NC1 527a_100000748762_100103153847 [0,0,0,1,0,0|3,0,0]=4 219 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [0,0,0,1,0,0|2,0,1]=4 220 B11R1.75 CC(=O)CCC1COS(=O)O1 1458a_100000070787_100009840081 [0,0,0,1,0,0|3,0,0]=4 221 B11R1.75 CC(=O)COC1COC(=O)O1 34a_100000211253_100000032252 [0,0,0,1,0,0|3,0,0]=4 222 B11R1.75 CC(=O)NCC1CNC(=O)C1 11a_100016993742_100015343762 [0,0,0,1,0,0|3,0,0]=4 223 B11R1.75 CC(=O)NCC1CNC(=O)C1 1626a_100016993742_100015343762 [0,0,0,1,0,0|3,0,0]=4 224 B11R1.75 CC(=O)NCC1CNC(=O)C1 240690a_100016993742_100015343762 [0,0,0,1,0,0|3,0,0]=4 225 B11R1.75 CC(=O)NCC1CNC(=O)C1 527a_100016993742_100103153847 [0,0,0,1,0,0|3,0,0]=4 226 B11R1.75 NC(=O)CCN1CNC(=O)C1 2230a_200000708111_100000744528 [0,0,0,1,0,0|3,0,0]=4 227 B11R1.75 NC(=O)CNC1CNC(=O)C1 2230a_100000697751_100000747473 [0,0,0,1,0,0|3,0,0]=4 228 B11R1.75 NC(=O)COC1CCC(=O)C1 34a_100012614533_100000187820 [0,0,0,1,0,0|3,0,0]=4 229 B11R1.75 NC(=O)COC1CNC(=O)C1 34a_100000690082_100000187820 [0,0,0,1,0,0|3,0,0]=4 230 B11R1.75 NC(=O)CSC1COC(=O)O1 62a_100000747473_100000032252 [0,0,0,1,0,0|3,0,0]=4 231 B11R1.75 O=C([O-])COC1CCC(=O)C1 34a_100012614533_100020667443 [0,0,0,1,0,0|2,0,1]=4 232 B11R1.75 O=C([O-])COC1CNC(=O)C1 34a_100000690082_100020667443 [0,0,0,1,0,0|2,0,1]=4 233 B11R1.75 O=C([O-])CSC1COC(=O)O1 62a_100020667443_100000032252 [0,0,0,1,0,0|2,0,1]=4 234 B11R1.152 CN(CC(=O)O)C1CC(=O)C1 269956a_100000746989_100009894365 [0,0,0,1,0,0|2,0,0]=3 235 B11R1.485 CN(CCC1CO1)CC(=O)O 269956a_100000746989_100000732470 [0,0,0,1,0,0|2,0,1]=4 236 B11R1.710 CC(=O)CC1CCS(=O)(=O)C1 1458a_100000186120_200000210301 [0,0,0,1,0,0|2,0,1]=4 237 B11R1.710 [13CH3]C(=O)CC1CCS(=O)(=O)C1 1458a_100000186120_200025704644 [0,0,0,1,0,0|2,0,1]=4 238 B11R1.743 NC(=O)C1CN(C1)CC(=O)[O-] 34a_100025753142_100020667443 [0,0,0,1,0,0|2,0,1]=4 239 B11R1.743 NC(=O)CN1CC(C1)C(=O)N 34a_100025753142_100000187820 [0,0,0,1,0,0|3,0,0]=4 240 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,0,0,0,1,0|3,0,0]=4 241 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 269956a_100000743915_100000042424 [0,0,0,0,1,0|3,0,0]=4 242 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [0,0,0,0,1,0|3,0,0]=4 243 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,0,0,0,1,0|2,0,0]=3 244 B9R0.7 CC(=O)C(C)OCC(=O)N 34a_100000212229_100000187820 [0,0,0,0,1,0|3,0,0]=4 245 B9R0.7 CC(=O)C(C)OCC(=O)[O-] 34a_100000212229_100020667443 [0,0,0,0,1,0|2,0,1]=4 246 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100000747473_100009814033 [0,0,0,0,1,0|3,0,0]=4 247 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100009814033_100000747473 [0,0,0,0,1,0|3,0,0]=4 248 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100009814033_100020667443 [0,0,0,0,1,0|2,0,1]=4 249 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100009814033 [0,0,0,0,1,0|2,0,1]=4 250 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,0,0,0,1,0|3,0,0]=4 251 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [0,0,0,0,1,0|3,0,0]=4 252 B9R0.7 CC(=O)N(C)CCC(=O)N 11a_100000730477_100015343762 [0,0,0,0,1,0|3,0,0]=4 253 B9R0.7 CC(=O)N(C)CCC(=O)N 240690a_100000730477_100015343762 [0,0,0,0,1,0|3,0,0]=4 254 B9R0.7 CC(=O)N(C)CCC(=O)N 527a_100000730477_100103153847 [0,0,0,0,1,0|3,0,0]=4 255 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,0,0,0,1,0|3,0,0]=4 256 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,0,0,0,1,0|3,0,0]=4 257 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,0,0,0,1,0|3,0,0]=4 258 B9R0.7 CC(NCC(=O)N)C(=O)N 2230a_100000711301_100000702099 [0,0,0,0,1,0|3,0,0]=4 259 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,0,0,0,1,0|2,0,1]=4 260 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000702099_100000747473 [0,0,0,0,1,0|3,0,0]=4 261 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000747473_100000702099 [0,0,0,0,1,0|3,0,0]=4 262 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100000702099_100020667443 [0,0,0,0,1,0|2,0,1]=4 263 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100020667443_100000702099 [0,0,0,0,1,0|2,0,1]=4 264 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 2230a_100000119354_100000747473 [0,0,0,0,1,0|3,0,0]=4 265 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 34a_100000119354_100000187820 [0,0,0,0,1,0|3,0,0]=4 266 B9R0.7 C[C@@H](NCC(=O)[O-])C(=O)N 34a_100000119354_100020667443 [0,0,0,0,1,0|2,0,1]=4 267 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 34a_100000731257_100000187820 [0,0,0,0,1,0|3,0,0]=4 268 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 7a_100000731257_100000187820 [0,0,0,0,1,0|3,0,0]=4 269 B9R0.7 C[C@@H](OCC(=O)[O-])C(=O)N 34a_100000731257_100020667443 [0,0,0,0,1,0|2,0,1]=4 270 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,0,0,0,1,0|2,0,0]=3 271 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,0,0,0,1,0|1,0,1]=3 272 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,0,0,0,1,0|2,0,1]=4 273 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000743915_100000761209 [0,0,0,0,1,0|2,0,1]=4 274 B9R0.7 C[C@H](OCC(=O)N)C(=O)[O-] 7a_217856618621_100000187820 [0,0,0,0,1,0|2,0,1]=4 275 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [0,0,0,0,1,0|3,0,0]=4 276 B9R0.53 C=C(F)CN(C)CC(=O)O 269956a_100000746989_100000042424 [0,0,0,0,1,0|3,0,0]=4 277 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,0,0,0,1,0|2,0,1]=4 278 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000232323_200000210301 [0,0,0,0,1,0|3,0,0]=4 279 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000739694_100000747473 [0,0,0,0,1,0|3,0,0]=4 280 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [0,0,0,0,1,0|2,0,0]=3 281 B9R0.53 CN(CC(=O)O)C[N+](=O)[O-] 269956a_100000746989_100000761209 [0,0,0,0,1,0|2,0,1]=4 282 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [0,0,0,0,1,0|1,0,1]=3 283 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,0,0,0,1,0|2,0,1]=4 284 B9R0.53 [13CH3]N(CC(=O)N)CC(=O)N 2230a_100000232323_200025704644 [0,0,0,0,1,0|3,0,0]=4 285 B11R0.6 C=C(C)CN(C)CCCC(=O)O 269956a_100000719178_100000748629 [0,0,0,0,0,1|3,0,0]=4 286 B11R0.6 C=C(C)CNCC(O)CC(=O)O 269956a_100011218706_100000748629 [0,0,0,0,0,1|3,0,0]=4 287 B11R0.6 C=C(F)CN(C)CCCC(=O)O 269956a_100000719178_100000042424 [0,0,0,0,0,1|3,0,0]=4 288 B11R0.6 C=C(F)CNCC(O)CC(=O)O 269956a_100011218706_100000042424 [0,0,0,0,0,1|3,0,0]=4 289 B11R0.6 CC(=CCCC(C)CC(=O)[13CH3])C 1458a_100000043202_200025704644 [0,0,0,0,0,1|3,0,0]=4 290 B11R0.6 CC(=CCCN(C)CC(=O)O)C 269956a_100000746989_100011217483 [0,0,0,0,0,1|3,0,0]=4 291 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [0,0,0,0,0,1|3,0,0]=4 292 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [0,0,0,0,0,1|2,0,0]=3 293 B11R0.6 CC(=O)CCSC(C)OC(=O)C 62a_100000053229_100009818208 [0,0,0,0,0,1|3,0,0]=4 294 B11R0.6 CC(=O)CCSC(C)OC(=O)C 62a_100009818208_100000053229 [0,0,0,0,0,1|3,0,0]=4 295 B11R0.6 CC(=O)NCCN(C)CC(=O)N 2230a_100000739694_100000189650 [0,0,0,0,0,1|3,0,0]=4 296 B11R0.6 CC(=O)NCCN(C)CC(=O)O 269956a_100000746989_100000189650 [0,0,0,0,0,1|2,0,0]=3 297 B11R0.6 CC(=O)OC(C)NOCC(=O)O 269956a_100000106656_100009818208 [0,0,0,0,0,1|3,0,0]=4 298 B11R0.6 CC(=O)OC(C)SCCC(=O)N 62a_100000744528_100009818208 [0,0,0,0,0,1|3,0,0]=4 299 B11R0.6 CC(=O)OC(C)SCCC(=O)N 62a_100009818208_100000744528 [0,0,0,0,0,1|3,0,0]=4 300 B11R0.6 CC(=O)OCCN(C)CC(=O)O 269956a_100000746989_100009814007 [0,0,0,0,0,1|2,0,0]=3 301 B11R0.6 CC(CNCC(=O)O)CN(C)C 269956a_100016091260_100015348159 [0,0,0,0,0,1|3,0,0]=4 302 B11R0.6 CC(O)CCCN(C)CC(=O)O 269956a_100000746989_200000718107 [0,0,0,0,0,1|2,0,1]=4 303 B11R0.6 CC(O)CN(C)CCCC(=O)O 269956a_100000719178_100011218427 [0,0,0,0,0,1|2,0,1]=4 304 B11R0.6 CC(O)CNCC(O)CC(=O)O 269956a_100011218706_100011218427 [0,0,0,0,0,1|2,0,1]=4 305 B11R0.6 CN(CCC=C(F)F)CC(=O)O 269956a_100000746989_200009816681 [0,0,0,0,0,1|3,0,0]=4 306 B11R0.6 CN(CCCC(=O)N)CC(=O)O 269956a_100000746989_100102525003 [0,0,0,0,0,1|2,0,0]=3 307 B11R0.6 CN(CCCC(=O)O)CC(=O)N 269956a_100000719178_100000187820 [0,0,0,0,0,1|2,0,0]=3 308 B11R0.6 CN(CCCC(=O)O)CC(=O)[O-] 269956a_100000719178_100020667443 [0,0,0,0,0,1|1,0,1]=3 309 B11R0.6 CN(CCCC(=O)O)C[N+](=O)[O-] 269956a_100000719178_100000761209 [0,0,0,0,0,1|2,0,1]=4 310 B11R0.6 CN(CCNC(=O)N)CC(=O)N 2230a_100000739694_200000034859 [0,0,0,0,0,1|3,0,0]=4 311 B11R0.6 CN(CCNC(=O)N)CC(=O)O 269956a_100000746989_200000034859 [0,0,0,0,0,1|2,0,0]=3 312 B11R0.6 C[C@@H](O)CN(C)CCCC(=O)O 269956a_100000719178_100009817552 [0,0,0,0,0,1|2,0,1]=4 313 B11R0.6 C[C@@H](O)CNCC(O)CC(=O)O 269956a_100011218706_100009817552 [0,0,0,0,0,1|2,0,1]=4 314 B11R0.6 NC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000187820 [0,0,0,0,0,1|2,0,0]=3 315 B11R0.6 O=C(O)CC(O)CNC[N+](=O)[O-] 269956a_100011218706_100000761209 [0,0,0,0,0,1|2,0,1]=4 316 B11R0.6 O=C([O-])CNCC(O)CC(=O)O 269956a_100011218706_100020667443 [0,0,0,0,0,1|1,0,1]=3 317 B11R0.85 CC(C)CCC(C)NCC(=O)O 269956a_100016091260_100011261404 [0,0,0,0,0,1|2,0,1]=4 318 B11R0.85 CN(CCC(=O)N)CCC(=O)N 2230a_100000730477_100000744528 [0,0,0,0,0,1|3,0,0]=4 319 B8R0.1 C=CCCN(C)CC=O 2230a_100020639649_200015260668 [2,0,0,0,0,0|2,0,0]=4 320 B8R0.1 C=CCCN(C)CC=O 269982a_100020639649_200015260668 [2,0,0,0,0,0|2,0,0]=4 321 B8R0.1 C=CC[C@@H](C)OCC=O 34a_100000731007_200009817547 [2,0,0,0,0,0|2,0,0]=4 322 B8R0.1 C=CC[C@@H](C)OCC=O 7a_100000731007_200015260668 [2,0,0,0,0,0|2,0,0]=4 323 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [2,0,0,0,0,0|1,0,1]=4 324 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [2,0,0,0,0,0|1,0,1]=4 325 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [2,0,0,0,0,0|1,0,1]=4 326 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [2,0,0,0,0,0|1,0,1]=4 327 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [2,0,0,0,0,0|1,0,1]=4 328 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [2,0,0,0,0,0|1,0,1]=4 329 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [2,0,0,0,0,0|1,0,1]=4 330 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [2,0,0,0,0,0|1,0,1]=4 331 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [2,0,0,0,0,0|1,0,1]=4 332 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [2,0,0,0,0,0|2,0,0]=4 333 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [2,0,0,0,0,0|2,0,0]=4 334 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [2,0,0,0,0,0|1,0,1]=4 335 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [2,0,0,0,0,0|1,0,1]=4 336 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [2,0,0,0,0,0|1,0,1]=4 337 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [2,0,0,0,0,0|1,0,1]=4 338 B8R0.5 CN(CC=O)CC(=O)N 2230a_100000739694_200015260668 [2,0,0,0,0,0|2,0,0]=4 339 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [2,0,0,0,0,0|1,0,0]=3 340 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [2,0,0,0,0,0|2,0,0]=4 341 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [2,0,0,0,0,0|2,0,0]=4 342 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [2,0,0,0,0,0|2,0,0]=4 343 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [2,0,0,0,0,0|2,0,0]=4 344 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [2,0,0,0,0,0|1,0,0]=3 345 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [2,0,0,0,0,0|1,0,0]=3 346 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [2,0,0,0,0,0|1,0,1]=4 347 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [2,0,0,0,0,0|1,0,0]=3 348 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [2,0,0,0,0,0|2,0,0]=4 349 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [2,0,0,0,0,0|2,0,0]=4 350 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [2,0,0,0,0,0|2,0,0]=4 351 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [2,0,0,0,0,0|2,0,0]=4 352 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|1,0,1]=4 353 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|1,0,1]=4 354 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [2,0,0,0,0,0|2,0,0]=4 355 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [2,0,0,0,0,0|2,0,0]=4 356 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [2,0,0,0,0,0|2,0,0]=4 357 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [2,0,0,0,0,0|2,0,0]=4 358 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [2,0,0,0,0,0|2,0,0]=4 359 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [2,0,0,0,0,0|2,0,0]=4 360 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [2,0,0,0,0,0|2,0,0]=4 361 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [2,0,0,0,0,0|2,0,0]=4 362 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [2,0,0,0,0,0|1,0,1]=4 363 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [2,0,0,0,0,0|2,0,0]=4 364 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|1,0,1]=4 365 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [2,0,0,0,0,0|1,0,1]=4 366 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [2,0,0,0,0,0|2,0,0]=4 367 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [2,0,0,0,0,0|2,0,0]=4 368 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [2,0,0,0,0,0|2,0,0]=4 369 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [2,0,0,0,0,0|2,0,0]=4 370 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [2,0,0,0,0,0|2,0,0]=4 371 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [2,0,0,0,0,0|1,0,1]=4 372 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [2,0,0,0,0,0|1,0,1]=4 373 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [2,0,0,0,0,0|1,0,1]=4 374 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [2,0,0,0,0,0|1,0,1]=4 375 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [2,0,0,0,0,0|2,0,0]=4 376 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [2,0,0,0,0,0|1,0,0]=3 377 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [2,0,0,0,0,0|2,0,0]=4 378 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [2,0,0,0,0,0|2,0,0]=4 379 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [2,0,0,0,0,0|1,0,1]=4 380 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [2,0,0,0,0,0|1,0,1]=4 381 B10R0.6 C=CCCCN(C)CC(=O)O 269956a_100000746989_100011713584 [1,1,0,0,0,0|2,0,0]=4 382 B10R0.6 C=CCNCC(O)CC(=O)O 269956a_100011218706_100000210623 [1,1,0,0,0,0|2,0,0]=4 383 B10R0.6 C=COCCN(C)CC(=O)O 269956a_100000746989_100000039644 [1,1,0,0,0,0|2,0,0]=4 384 B10R0.6 CN(CCCC=O)CC(=O)N 2230a_100000739694_200011292268 [1,1,0,0,0,0|2,0,0]=4 385 B10R0.6 CN(CCCC=O)CC(=O)O 269956a_100000746989_200011292268 [1,1,0,0,0,0|1,0,0]=3 386 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [1,1,0,0,0,0|1,0,1]=4 387 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [1,1,0,0,0,0|1,0,1]=4 388 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [1,1,0,0,0,0|1,0,1]=4 389 B10R0.6 O=CCNCC(O)CC(=O)O 269956a_100011218706_200015260668 [1,1,0,0,0,0|1,0,0]=3 390 B10R0.18 C=CCCN(C)CC(=O)OC 2230a_100000198492_100000754431 [1,1,0,0,0,0|2,0,0]=4 391 B10R0.18 C=CCCN(C)CC(=O)OC 2230a_100020639649_100000747449 [1,1,0,0,0,0|2,0,0]=4 392 B10R0.18 C=CCCN(C)CC(=O)OC 269982a_100020639649_100000747449 [1,1,0,0,0,0|2,0,0]=4 393 B10R0.18 C=CCNC(C)CC(=O)OC 2230a_100020586998_100009817358 [1,1,0,0,0,0|2,0,0]=4 394 B10R0.18 C=CCOC(C)CC(=O)OC 34a_200000210373_100009817358 [1,1,0,0,0,0|2,0,0]=4 395 B10R0.18 C=CCSC(C)CC(=O)OC 62a_100000210623_100009817358 [1,1,0,0,0,0|2,0,0]=4 396 B10R0.18 C=CCSC(C)CC(=O)OC 62a_100009817358_100000210623 [1,1,0,0,0,0|2,0,0]=4 397 B10R0.18 COC(=O)CC(C)NCCO 2230a_100016997473_100009817358 [1,1,0,0,0,0|1,0,1]=4 398 B10R0.18 COC(=O)CC(C)NCCO 34a_100016990907_100009817358 [1,1,0,0,0,0|1,0,1]=4 399 B10R0.18 COC(=O)CC(C)SCC=O 62a_100009817358_200015260668 [1,1,0,0,0,0|1,0,0]=3 400 B10R0.18 COC(=O)CC(C)SCC=O 62a_200015260668_100009817358 [1,1,0,0,0,0|1,0,0]=3 401 B10R0.18 COC(=O)CC(C)SCCO 62a_100000211926_100009817358 [1,1,0,0,0,0|1,0,1]=4 402 B10R0.18 COC(=O)CC(C)SCCO 62a_100009817358_100000211926 [1,1,0,0,0,0|1,0,1]=4 403 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000198492_100000230001 [1,1,0,0,0,0|1,0,1]=4 404 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000213112_100000747449 [1,1,0,0,0,0|1,0,1]=4 405 B10R0.18 COC(=O)CN(C)CCCO 269982a_100000213112_100000747449 [1,1,0,0,0,0|1,0,1]=4 406 B10R0.32 CC(CCO)N(C)CC(=O)O 269956a_100000746989_100009893172 [1,1,0,0,0,0|1,0,1]=4 407 B10R0.44 C=CC(O)CN(C)CC(=O)O 269956a_100000746989_100000730141 [1,1,0,0,0,0|2,0,0]=4 408 B10R0.44 CN(CC(=O)O)CC(O)CO 269956a_100000746989_100011219619 [1,1,0,0,0,0|1,0,1]=4 409 B10R0.44 CN(CC(=O)O)C[C@@H](O)CO 269956a_100000746989_100009815848 [1,1,0,0,0,0|1,0,1]=4 410 B10R0.44 C[C@@H](CO)CN(C)CC(=O)O 269956a_100000746989_100000059175 [1,1,0,0,0,0|1,0,1]=4 411 B10R0.81 C=CCCN(C)C(C)C(=O)O 269956a_100000749554_100000754431 [1,1,0,0,0,0|2,0,0]=4 412 B10R0.81 CC(C(=O)O)N(C)CCCO 269956a_100000749554_100011215043 [1,1,0,0,0,0|1,0,1]=4 413 B10R0.81 C[C@@H](OCC=O)[C@H](N)C(=O)N 34a_100000003557_200009817547 [1,1,0,0,0,0|2,0,0]=4 414 B10R0.87 C=CCCN(CC)CC(=O)O 269956a_100000746405_100000754431 [1,1,0,0,0,0|2,0,0]=4 415 B10R0.87 C=CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210623 [1,1,0,0,0,0|2,0,0]=4 416 B10R0.87 C=CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210623 [1,1,0,0,0,0|2,0,0]=4 417 B10R0.87 CCN(CCCO)CC(=O)O 269956a_100000746405_100011215043 [1,1,0,0,0,0|1,0,1]=4 418 B10R0.87 CC[C@H](CC(=O)O)NCC=O 269956a_100016995926_200015260668 [1,1,0,0,0,0|1,0,0]=3 419 B10R0.87 CC[C@H](CC(=O)O)NCCO 269956a_100016995926_100000211926 [1,1,0,0,0,0|1,0,1]=4 420 B10R0.87 O=C(O)C[C@@H](CO)NCCO 269956a_100009816507_100000211926 [1,1,0,0,0,0|1,0,1]=4 421 B10R0.87 O=CCN[C@H](CO)CC(=O)O 269956a_100009816507_200015260668 [1,1,0,0,0,0|1,0,0]=3 422 B10R0.122 C=CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210623 [1,1,0,0,0,0|2,0,0]=4 423 B10R0.122 CC(=O)CC(C)(C)OCC=O 7a_100000210262_200015260668 [1,1,0,0,0,0|2,0,0]=4 424 B10R0.122 CC(C)(CC(=O)N)NCC=O 2230a_100000763158_200015260668 [1,1,0,0,0,0|2,0,0]=4 425 B10R0.122 CC(C)(CC(=O)O)NCC=O 269956a_100000755897_200015260668 [1,1,0,0,0,0|1,0,0]=3 426 B10R0.122 CC(C)(CC(=O)O)NCCO 269956a_100000755897_100000211926 [1,1,0,0,0,0|1,0,1]=4 427 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [1,1,0,0,0,0|1,0,1]=4 428 B10R0.27 CCN(CC=O)CCC(=O)N 2230a_100020645749_200015260668 [1,1,0,0,0,0|2,0,0]=4 429 B10R0.108 C=CCN(C)CCC(=O)OC 2230a_100000225617_100000204255 [1,1,0,0,0,0|2,0,0]=4 430 B10R0.108 C=CCN(C)CCC(=O)OC 269982a_100000225617_100000204255 [1,1,0,0,0,0|2,0,0]=4 431 B10R0.108 C=CCN(C)CCC(=O)OC 269982a_100025711912_100000210623 [1,1,0,0,0,0|2,0,0]=4 432 B10R0.108 C=CC[C@@H](C)OCC(=O)OC 34a_100000731007_100000747449 [1,1,0,0,0,0|2,0,0]=4 433 B10R0.108 C=CC[C@@H](C)OCC(=O)OC 7a_100000731007_100000747449 [1,1,0,0,0,0|2,0,0]=4 434 B10R0.108 CNC(=O)CCN(C)CC=O 2230a_100000750875_200015260668 [1,1,0,0,0,0|2,0,0]=4 435 B10R0.108 CNC(=O)CCN(C)CC=O 269982a_100000750875_200015260668 [1,1,0,0,0,0|2,0,0]=4 436 B10R0.108 COC(=O)CCN(C)CC=O 269982a_100025711912_200015260668 [1,1,0,0,0,0|1,0,0]=3 437 B10R0.108 COC(=O)CCN(C)CCO 2230a_100000210263_100000204255 [1,1,0,0,0,0|1,0,1]=4 438 B10R0.108 COC(=O)CCN(C)CCO 269982a_100000210263_100000204255 [1,1,0,0,0,0|1,0,1]=4 439 B10R0.108 COC(=O)CCN(C)CCO 269982a_100025711912_100000211926 [1,1,0,0,0,0|1,0,1]=4 440 B10R0.108 COC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747449 [1,1,0,0,0,0|1,0,1]=4 441 B10R0.108 COC(=O)CN[C@H](C)CCO 34a_100000706166_100000747449 [1,1,0,0,0,0|1,0,1]=4 442 B10R0.108 COC(=O)CSC(C)CCO 62a_100000747449_100009893172 [1,1,0,0,0,0|1,0,1]=4 443 B10R0.108 COC(=O)CSC(C)CCO 62a_100009893172_100000747449 [1,1,0,0,0,0|1,0,1]=4 444 B10R0.55 C#CC(=O)CCCCC(=O)C 1458a_100000211873_100000735457 [1,1,0,0,0,0|2,0,0]=4 445 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [1,1,0,0,0,0|2,0,0]=4 446 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [1,1,0,0,0,0|1,0,0]=3 447 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [1,1,0,0,0,0|2,0,0]=4 448 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [1,1,0,0,0,0|2,0,0]=4 449 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [1,1,0,0,0,0|2,0,0]=4 450 B10R0.55 CNC(=O)CCNCC(=O)O 269956a_100016091260_100000737683 [1,1,0,0,0,0|2,0,0]=4 451 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [1,1,0,0,0,0|1,0,0]=3 452 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [1,1,0,0,0,0|1,0,0]=3 453 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [1,1,0,0,0,0|1,0,0]=3 454 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [1,1,0,0,0,0|2,0,0]=4 455 B10R0.55 COC(=O)CCNCC(=O)N 2230a_100000711301_100000204255 [1,1,0,0,0,0|2,0,0]=4 456 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [1,1,0,0,0,0|1,0,0]=3 457 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [1,1,0,0,0,0|2,0,0]=4 458 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000204255_100000747473 [1,1,0,0,0,0|2,0,0]=4 459 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000747473_100000204255 [1,1,0,0,0,0|2,0,0]=4 460 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100000204255_100020667443 [1,1,0,0,0,0|1,0,1]=4 461 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100020667443_100000204255 [1,1,0,0,0,0|1,0,1]=4 462 B10R0.55 COC(=O)CNOCC(=O)O 269956a_100000106656_100000747449 [1,1,0,0,0,0|2,0,0]=4 463 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [1,1,0,0,0,0|2,0,0]=4 464 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [1,1,0,0,0,0|2,0,0]=4 465 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [1,1,0,0,0,0|2,0,0]=4 466 B10R0.55 COC(=O)COCCC(=O)N 34a_100000757172_100000747449 [1,1,0,0,0,0|2,0,0]=4 467 B10R0.55 COC(=O)COCCC(=O)N 7a_100000757172_100000747449 [1,1,0,0,0,0|2,0,0]=4 468 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [1,1,0,0,0,0|2,0,0]=4 469 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [1,1,0,0,0,0|2,0,0]=4 470 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000744528_100000747449 [1,1,0,0,0,0|2,0,0]=4 471 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000747449_100000744528 [1,1,0,0,0,0|2,0,0]=4 472 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [1,1,0,0,0,0|2,0,0]=4 473 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [1,1,0,0,0,0|2,0,0]=4 474 B10R0.55 NC(=O)CCCNC(=O)CO 240690a_100000739312_100000210174 [1,1,0,0,0,0|2,0,0]=4 475 B10R0.55 NC(=O)CCCNC(=O)CO 527a_100000739312_100000210174 [1,1,0,0,0,0|2,0,0]=4 476 B10R0.55 NC(=O)COCCC(=O)CO 1458a_100000210174_100000076697 [1,1,0,0,0,0|2,0,0]=4 477 B10R0.55 O=C(CO)CCCCB(O)O 1458a_100000210174_200009817182 [1,1,0,0,0,0|1,0,1]=4 478 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [1,1,0,0,0,0|2,0,0]=4 479 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [1,1,0,0,0,0|2,0,0]=4 480 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [1,1,0,0,0,0|1,0,1]=4 481 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [1,1,0,0,0,0|2,0,0]=4 482 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [1,1,0,0,0,0|2,0,0]=4 483 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [1,1,0,0,0,0|1,0,1]=4 484 B10R0.13 CC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100009814033 [0,1,0,0,1,0|2,0,0]=4 485 B10R0.13 CC(C(=O)O)N(C)CC(=O)N 269956a_100000749554_100000187820 [0,1,0,0,1,0|2,0,0]=4 486 B10R0.13 CC(C(=O)O)N(C)CC(=O)[O-] 269956a_100000749554_100020667443 [0,1,0,0,1,0|1,0,1]=4 487 B10R0.43 CC(=O)C(C)(C)NCC(=O)O 269956a_100016091260_100000075568 [0,1,0,0,1,0|2,0,0]=4 488 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,1,0,0,1,0|2,0,0]=4 489 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183359 [0,1,0,0,1,0|2,0,0]=4 490 B10R0.82 COC(=O)CCN(C)C(=O)C 11a_100025711912_100015343762 [0,1,0,0,1,0|2,0,0]=4 491 B10R0.82 COC(=O)CCN(C)C(=O)C 1626a_100025711912_100015343762 [0,1,0,0,1,0|2,0,0]=4 492 B10R0.82 COC(=O)CCN(C)C(=O)C 240690a_100025711912_100015343762 [0,1,0,0,1,0|2,0,0]=4 493 B10R0.82 COC(=O)CCN(C)C(=O)C 527a_100025711912_100103153847 [0,1,0,0,1,0|2,0,0]=4 494 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,1,0,0,1,0|1,0,0]=3 495 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000747449 [0,1,0,0,1,0|2,0,0]=4 496 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000747449 [0,1,0,0,1,0|2,0,0]=4 497 B10R0.82 COC(=O)COC(C)C(=O)C 34a_100000212229_100000747449 [0,1,0,0,1,0|2,0,0]=4 498 B10R0.82 COC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747449 [0,1,0,0,1,0|1,0,1]=4 499 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000747449 [0,1,0,0,1,0|2,0,0]=4 500 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747449 [0,1,0,0,1,0|2,0,0]=4 501 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100000747449_100009814033 [0,1,0,0,1,0|2,0,0]=4 502 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100009814033_100000747449 [0,1,0,0,1,0|2,0,0]=4 503 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000702099_100000747449 [0,1,0,0,1,0|2,0,0]=4 504 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000747449_100000702099 [0,1,0,0,1,0|2,0,0]=4 505 B10R0.84 CCC(NCC(=O)O)C(=O)N 269956a_100016091260_200011216081 [0,1,0,0,1,0|2,0,0]=4 506 B10R0.84 CC[C@@H](NCC(=O)N)C(=O)O 269956a_100000747097_100000187820 [0,1,0,0,1,0|2,0,0]=4 507 B10R0.84 CC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100000747097_100020667443 [0,1,0,0,1,0|1,0,1]=4 508 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200000210301 [0,1,0,0,1,0|2,0,0]=4 509 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200000210301 [0,1,0,0,1,0|2,0,0]=4 510 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [0,1,0,0,1,0|2,0,0]=4 511 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [0,1,0,0,1,0|2,0,0]=4 512 B10R0.84 NC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000187820 [0,1,0,0,1,0|2,0,0]=4 513 B10R0.84 O=C([O-])CNC(CO)C(=O)O 269956a_100000187304_100020667443 [0,1,0,0,1,0|1,0,1]=4 514 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200025704644 [0,1,0,0,1,0|2,0,0]=4 515 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200025704644 [0,1,0,0,1,0|2,0,0]=4 516 B10R0.93 CC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009814033 [0,1,0,0,1,0|2,0,0]=4 517 B10R0.70 CCN(CC(=O)N)CC(=O)O 269956a_100000746405_100000187820 [0,1,0,0,1,0|2,0,0]=4 518 B10R0.70 CCN(CC(=O)[O-])CC(=O)O 269956a_100000746405_100020667443 [0,1,0,0,1,0|1,0,1]=4 519 B12R0.240 C=C(Br)CCOC(C)CC(=O)OC 34a_100009813270_100009817358 [0,1,0,0,0,1|2,0,0]=4 520 B12R0.240 C=C(C)CCOC(C)CC(=O)OC 34a_100000764851_100009817358 [0,1,0,0,0,1|2,0,0]=4 521 B12R0.240 C=C(C)CCSC(C)CC(=O)OC 62a_100000730704_100009817358 [0,1,0,0,0,1|2,0,0]=4 522 B12R0.240 C=C(C)CCSC(C)CC(=O)OC 62a_100009817358_100000730704 [0,1,0,0,0,1|2,0,0]=4 523 B12R0.240 CCC(=O)CN(C)CCCC(=O)O 269956a_100000719178_100000747405 [0,1,0,0,0,1|2,0,0]=4 524 B12R0.240 CNC(=O)CN(C)CCCC(=O)O 269956a_100000719178_100000183359 [0,1,0,0,0,1|2,0,0]=4 525 B12R0.240 COC(=O)CC(=O)CNCC(=O)O 269956a_100016091260_100000210525 [0,1,0,0,0,1|1,0,1]=4 526 B12R0.240 COC(=O)CC(C)NCCC(C)O 2230a_200000755665_100009817358 [0,1,0,0,0,1|1,0,1]=4 527 B12R0.240 COC(=O)CC(C)NOCC(=O)O 269956a_100000106656_100009817358 [0,1,0,0,0,1|1,0,0]=3 528 B12R0.240 COC(=O)CC(C)OCCC(=O)C 34a_100000759926_100009817358 [0,1,0,0,0,1|1,0,0]=3 529 B12R0.240 COC(=O)CC(C)OCCC(=O)C 7a_100000759926_100009817358 [0,1,0,0,0,1|1,0,0]=3 530 B12R0.240 COC(=O)CC(C)OCCC(=O)N 34a_100000757172_100009817358 [0,1,0,0,0,1|1,0,0]=3 531 B12R0.240 COC(=O)CC(C)OCCC(=O)N 7a_100000757172_100009817358 [0,1,0,0,0,1|1,0,0]=3 532 B12R0.240 COC(=O)CC(C)SCCC(=O)C 62a_100000053229_100009817358 [0,1,0,0,0,1|1,0,0]=3 533 B12R0.240 COC(=O)CC(C)SCCC(=O)C 62a_100009817358_100000053229 [0,1,0,0,0,1|1,0,0]=3 534 B12R0.240 COC(=O)CC(C)SCCC(=O)N 62a_100000744528_100009817358 [0,1,0,0,0,1|1,0,0]=3 535 B12R0.240 COC(=O)CC(C)SCCC(=O)N 62a_100009817358_100000744528 [0,1,0,0,0,1|1,0,0]=3 536 B12R0.240 COC(=O)CC(C)SCCC(C)O 62a_100009817358_100012276601 [0,1,0,0,0,1|1,0,1]=4 537 B12R0.240 COC(=O)CC(C)SCCC(C)O 62a_100012276601_100009817358 [0,1,0,0,0,1|1,0,1]=4 538 B12R0.240 COC(=O)CC(C)SCOC(=O)C 62a_100000076356_100009817358 [0,1,0,0,0,1|2,0,0]=4 539 B12R0.240 COC(=O)CC(C)SCOC(=O)C 62a_100009817358_100000076356 [0,1,0,0,0,1|2,0,0]=4 540 B12R0.240 COC(=O)CN(C)CCCC(=O)O 269956a_100000719178_100000747449 [0,1,0,0,0,1|1,0,0]=3 541 B12R0.240 COC(=O)CN(C)CCNC(=O)C 2230a_100000198492_100000189650 [0,1,0,0,0,1|2,0,0]=4 542 B12R0.240 COC(=O)CN(C)CCNC(=O)N 2230a_100000198492_200000034859 [0,1,0,0,0,1|2,0,0]=4 543 B12R0.240 COC(=O)C[C@@H](O)CNCC(=O)O 269956a_100016091260_100000754131 [0,1,0,0,0,1|1,0,0]=3 544 B12R0.240 COC(=O)C[C@@H](O)COCC(=O)C 34a_100000211253_100000754131 [0,1,0,0,0,1|2,0,0]=4 545 B12R0.240 COC(=O)C[C@@H](O)CSCC(=O)N 62a_100000747473_100000754131 [0,1,0,0,0,1|2,0,0]=4 546 B12R0.240 COC(=O)C[C@@H](O)CSCC(=O)N 62a_100000754131_100000747473 [0,1,0,0,0,1|2,0,0]=4 547 B12R0.240 COC(=O)C[C@@H](O)CSCC(=O)[O-] 62a_100000754131_100020667443 [0,1,0,0,0,1|1,0,1]=4 548 B12R0.240 COC(=O)C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100000754131 [0,1,0,0,0,1|1,0,1]=4 549 B12R0.241 CCC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000747405 [0,1,0,0,0,1|2,0,0]=4 550 B12R0.241 CNC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100000741757 [0,1,0,0,0,1|2,0,0]=4 551 B12R0.241 CNC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000183359 [0,1,0,0,0,1|2,0,0]=4 552 B12R0.241 COC(=O)CCCN(C)CC(=O)N 2230a_100000739694_100011218270 [0,1,0,0,0,1|2,0,0]=4 553 B12R0.241 COC(=O)CCCN(C)CC(=O)N 269982a_100000739225_100000187820 [0,1,0,0,0,1|2,0,0]=4 554 B12R0.241 COC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011218270 [0,1,0,0,0,1|1,0,0]=3 555 B12R0.241 COC(=O)CCCN(C)CC(=O)[O-] 269982a_100000739225_100020667443 [0,1,0,0,0,1|1,0,1]=4 556 B12R0.241 COC(=O)CCSC(C)OC(=O)C 62a_100000204255_100009818208 [0,1,0,0,0,1|2,0,0]=4 557 B12R0.241 COC(=O)CCSC(C)OC(=O)C 62a_100009818208_100000204255 [0,1,0,0,0,1|2,0,0]=4 558 B12R0.241 COC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000747449 [0,1,0,0,0,1|1,0,0]=3 559 B12R0.535 C=C(C)CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000730704 [0,1,0,0,0,1|2,0,0]=4 560 B12R0.535 C=C(C)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000730704 [0,1,0,0,0,1|2,0,0]=4 561 B12R0.535 CC(=O)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000053229 [0,1,0,0,0,1|1,0,0]=3 562 B12R0.535 CC(=O)OCN[C@H](CO)CC(=O)O 269956a_100009816507_100000076356 [0,1,0,0,0,1|2,0,0]=4 563 B12R0.535 CC(O)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100012276601 [0,1,0,0,0,1|1,0,1]=4 564 B12R0.535 CCN(CCCC(=O)C)CC(=O)O 269956a_100000746405_100011215641 [0,1,0,0,0,1|2,0,0]=4 565 B12R0.535 CCN(CCCC(=O)N)CC(=O)O 269956a_100000746405_100102525003 [0,1,0,0,0,1|2,0,0]=4 566 B12R0.535 CCN(CCNC(=O)C)CC(=O)O 269956a_100000746405_100000189650 [0,1,0,0,0,1|2,0,0]=4 567 B12R0.535 CCN(CCNC(=O)N)CC(=O)O 269956a_100000746405_200000034859 [0,1,0,0,0,1|2,0,0]=4 568 B12R0.535 CCN(CCOC(=O)C)CC(=O)O 269956a_100000746405_100009814007 [0,1,0,0,0,1|2,0,0]=4 569 B12R0.535 CC[C@H](CC(=O)O)NCCC(=O)C 269956a_100016995926_100000053229 [0,1,0,0,0,1|1,0,0]=3 570 B12R0.535 CC[C@H](CC(=O)O)NCCC(=O)N 269956a_100016995926_100000744528 [0,1,0,0,0,1|1,0,0]=3 571 B12R0.535 CC[C@H](CC(=O)O)NCCC(C)O 269956a_100016995926_100012276601 [0,1,0,0,0,1|1,0,1]=4 572 B12R0.535 CC[C@H](CC(=O)O)NCOC(=O)C 269956a_100016995926_100000076356 [0,1,0,0,0,1|2,0,0]=4 573 B12R0.535 NC(=O)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000744528 [0,1,0,0,0,1|1,0,0]=3 574 B12R0.686 CC(=O)C(C)N(C)CCCC(=O)O 269956a_100000719178_100009814033 [0,1,0,0,0,1|2,0,0]=4 575 B12R0.686 CC(=O)CCCN(C)C(C)C(=O)O 269956a_100000749554_100011215641 [0,1,0,0,0,1|2,0,0]=4 576 B12R0.686 CC(=O)NCCN(C)C(C)C(=O)O 269956a_100000749554_100000189650 [0,1,0,0,0,1|2,0,0]=4 577 B12R0.686 CC(=O)OCCN(C)C(C)C(=O)O 269956a_100000749554_100009814007 [0,1,0,0,0,1|2,0,0]=4 578 B12R0.686 CC(C(=O)O)N(C)CCCC(=O)N 269956a_100000749554_100102525003 [0,1,0,0,0,1|2,0,0]=4 579 B12R0.686 CC(C(=O)O)N(C)CCNC(=O)N 269956a_100000749554_200000034859 [0,1,0,0,0,1|2,0,0]=4 580 B12R0.686 C[C@@H](OCCC(=O)N)[C@H](N)C(=O)N 34a_100000003557_100000731001 [0,1,0,0,0,1|2,0,0]=4 581 B12R0.687 CC(=O)C(C)NCC(O)CC(=O)O 269956a_100011218706_100009814033 [0,1,0,0,0,1|2,0,0]=4 582 B12R0.687 CC(=O)OC(C)NCC(C)C(=O)O 269956a_100000749485_100009818208 [0,1,0,0,0,1|2,0,0]=4 583 B12R0.687 CC(=O)OC(C)NCC(F)C(=O)O 269956a_100000084737_100009818208 [0,1,0,0,0,1|2,0,0]=4 584 B12R0.697 C=C(C)CCNC(C)(C)CC(=O)O 269956a_100000755897_100000730704 [0,1,0,0,0,1|2,0,0]=4 585 B12R0.697 CC(=O)CC(C)(C)OCCC(=O)N 7a_100000210262_100000744528 [0,1,0,0,0,1|2,0,0]=4 586 B12R0.697 CC(=O)CCNC(C)(C)CC(=O)O 269956a_100000755897_100000053229 [0,1,0,0,0,1|1,0,0]=3 587 B12R0.697 CC(=O)CCOC(C)(C)CC(=O)C 7a_100000210262_100000053229 [0,1,0,0,0,1|2,0,0]=4 588 B12R0.697 CC(=O)OCNC(C)(C)CC(=O)O 269956a_100000755897_100000076356 [0,1,0,0,0,1|2,0,0]=4 589 B12R0.697 CC(C)(CC(=O)N)NCCC(=O)N 2230a_100000763158_100000744528 [0,1,0,0,0,1|2,0,0]=4 590 B12R0.697 CC(C)(CC(=O)O)NCCC(=O)N 269956a_100000755897_100000744528 [0,1,0,0,0,1|1,0,0]=3 591 B12R0.697 CC(O)CCNC(C)(C)CC(=O)O 269956a_100000755897_100012276601 [0,1,0,0,0,1|1,0,1]=4 592 B12R0.189 COC(=O)CCN(C)CCC(=O)C 269982a_100025711912_100000053229 [0,1,0,0,0,1|2,0,0]=4 593 B12R0.189 COC(=O)CCN(C)CCC(=O)N 2230a_100000730477_100000204255 [0,1,0,0,0,1|2,0,0]=4 594 B12R0.189 COC(=O)CCN(C)CCC(=O)N 269982a_100025711912_100000744528 [0,1,0,0,0,1|2,0,0]=4 595 B12R0.189 COC(=O)CCN(C)COC(=O)C 269982a_100025711912_100000076356 [0,1,0,0,0,1|2,0,0]=4 596 B12R0.153 COC(=O)CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009817358 [0,2,0,0,0,0|1,0,0]=3 597 B12R0.153 COC(=O)CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100009817358 [0,2,0,0,0,0|2,0,0]=4 598 B12R0.153 COC(=O)CC(C)N[C@H](C)C(=O)N 34a_100000119354_100009817358 [0,2,0,0,0,0|2,0,0]=4 599 B12R0.153 COC(=O)CC(C)OC(C)C(=O)C 34a_100000212229_100009817358 [0,2,0,0,0,0|2,0,0]=4 600 B12R0.153 COC(=O)CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100009817358 [0,2,0,0,0,0|1,0,1]=4 601 B12R0.153 COC(=O)CC(C)O[C@H](C)C(=O)N 34a_100000731257_100009817358 [0,2,0,0,0,0|2,0,0]=4 602 B12R0.153 COC(=O)CC(C)O[C@H](C)C(=O)N 7a_100000731257_100009817358 [0,2,0,0,0,0|2,0,0]=4 603 B12R0.153 COC(=O)CC(C)SC(C)C(=O)C 62a_100009814033_100009817358 [0,2,0,0,0,0|2,0,0]=4 604 B12R0.153 COC(=O)CC(C)SC(C)C(=O)C 62a_100009817358_100009814033 [0,2,0,0,0,0|2,0,0]=4 605 B12R0.153 COC(=O)CC(C)SC(C)C(=O)N 62a_100000702099_100009817358 [0,2,0,0,0,0|2,0,0]=4 606 B12R0.153 COC(=O)CC(C)SC(C)C(=O)N 62a_100009817358_100000702099 [0,2,0,0,0,0|2,0,0]=4 607 B12R0.153 COC(=O)CC(C)SC(F)C(=O)N 62a_100009813875_100009817358 [0,2,0,0,0,0|2,0,0]=4 608 B12R0.153 COC(=O)CC(C)SC(F)C(=O)N 62a_100009817358_100009813875 [0,2,0,0,0,0|2,0,0]=4 609 B12R0.153 COC(=O)CC(C)SC(F)C(=O)[O-] 62a_100009817358_100020610796 [0,2,0,0,0,0|1,0,1]=4 610 B12R0.153 COC(=O)CC(C)SC(F)C(=O)[O-] 62a_100020610796_100009817358 [0,2,0,0,0,0|1,0,1]=4 611 B12R0.631 CC(=O)C(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100009814033 [0,2,0,0,0,0|2,0,0]=4 612 B12R0.631 CC[C@H](CC(=O)O)NC(C)C(=O)C 269956a_100016995926_100009814033 [0,2,0,0,0,0|2,0,0]=4 613 B12R0.695 CC(=O)C(C)NC(C)(C)CC(=O)O 269956a_100000755897_100009814033 [0,2,0,0,0,0|2,0,0]=4 614 B12R0.88 COC(=O)C(C)N(C)CCC(=O)C 269982a_100000725243_100000053229 [0,2,0,0,0,0|2,0,0]=4 615 B12R0.88 COC(=O)C(C)N(C)CCC(=O)N 2230a_100000725243_100000744528 [0,2,0,0,0,0|2,0,0]=4 616 B12R0.88 COC(=O)C(C)N(C)CCC(=O)N 2230a_100000730477_100000211248 [0,2,0,0,0,0|2,0,0]=4 617 B12R0.88 COC(=O)C(C)N(C)CCC(=O)N 269982a_100000725243_100000744528 [0,2,0,0,0,0|2,0,0]=4 618 B12R0.88 COC(=O)[C@@H](N)[C@@H](C)OCC(=O)N 34a_100000004424_100000187820 [0,2,0,0,0,0|2,0,0]=4 619 B12R0.88 COC(=O)[C@@H](N)[C@@H](C)OCC(=O)[O-] 34a_100000004424_100020667443 [0,2,0,0,0,0|1,0,1]=4 620 B12R0.147 CCC(=O)CN(C)CCC(=O)OC 269982a_100025711912_100000747405 [0,2,0,0,0,0|2,0,0]=4 621 B12R0.147 CCC(=O)COC(C)CC(=O)OC 34a_100000725409_100009817358 [0,2,0,0,0,0|2,0,0]=4 622 B12R0.147 CCC(=O)CSC(C)CC(=O)OC 62a_100000747405_100009817358 [0,2,0,0,0,0|2,0,0]=4 623 B12R0.147 CCC(=O)CSC(C)CC(=O)OC 62a_100009817358_100000747405 [0,2,0,0,0,0|2,0,0]=4 624 B12R0.147 CNC(=O)CCN(C)CC(=O)OC 2230a_100000198492_100000737683 [0,2,0,0,0,0|2,0,0]=4 625 B12R0.147 CNC(=O)CCN(C)CC(=O)OC 2230a_100000750875_100000747449 [0,2,0,0,0,0|2,0,0]=4 626 B12R0.147 CNC(=O)CCN(C)CC(=O)OC 269982a_100000750875_100000747449 [0,2,0,0,0,0|2,0,0]=4 627 B12R0.147 CNC(=O)CN(C)CCC(=O)OC 2230a_100000189611_100000204255 [0,2,0,0,0,0|2,0,0]=4 628 B12R0.147 CNC(=O)CN(C)CCC(=O)OC 269982a_100025711912_100000183359 [0,2,0,0,0,0|2,0,0]=4 629 B12R0.147 CNC(=O)CNC(C)CC(=O)OC 2230a_100000693194_100009817358 [0,2,0,0,0,0|2,0,0]=4 630 B12R0.147 CNC(=O)COC(C)CC(=O)OC 34a_100000750040_100009817358 [0,2,0,0,0,0|2,0,0]=4 631 B12R0.147 CNC(=O)CSC(C)CC(=O)OC 62a_100000183359_100009817358 [0,2,0,0,0,0|2,0,0]=4 632 B12R0.147 CNC(=O)CSC(C)CC(=O)OC 62a_100009817358_100000183359 [0,2,0,0,0,0|2,0,0]=4 633 B12R0.147 COC(=O)CC(O)CNC(=O)CO 188690a_100025770978_100000210174 [0,2,0,0,0,0|2,0,0]=4 634 B12R0.147 COC(=O)CCC(=O)CC(=O)CO 1458a_100000210174_100000691467 [0,2,0,0,0,0|1,0,1]=4 635 B12R0.147 COC(=O)CCC(=O)CC(=O)OC 1458a_100000187943_100000747449 [0,2,0,0,0,0|1,0,1]=4 636 B12R0.147 COC(=O)CCN(C)CC(=O)OC 2230a_100000198492_100000204255 [0,2,0,0,0,0|1,0,0]=3 637 B12R0.147 COC(=O)CCN(C)CC(=O)OC 269982a_100025711912_100000747449 [0,2,0,0,0,0|1,0,0]=3 638 B12R0.147 COC(=O)CSC(C)CC(=O)OC 62a_100000747449_100009817358 [0,2,0,0,0,0|1,0,0]=3 639 B12R0.147 COC(=O)CSC(C)CC(=O)OC 62a_100009817358_100000747449 [0,2,0,0,0,0|1,0,0]=3 640 B12R0.154 CCN(CCC(=O)N)CC(=O)OC 2230a_100020645749_100000747449 [0,2,0,0,0,0|2,0,0]=4 641 B12R0.154 CC[C@@H](CC(=O)OC)OCC(=O)N 7a_200015357724_100000187820 [0,2,0,0,0,0|2,0,0]=4 642 B12R0.154 COC(=O)C[C@H](CCl)OCC(=O)N 7a_100000754131_100000187820 [0,2,0,0,0,0|2,0,0]=4 643 B12R0.235 COC(=O)CC(C)C(=O)CC(=O)N 1458a_100000037256_100000187820 [0,2,0,0,0,0|1,0,1]=4 644 B12R0.235 COC(=O)CC(C)C(=O)CC(=O)[O-] 1458a_100000037256_100020667443 [0,2,0,0,0,0|0,0,2]=4 645 B12R0.235 COC(=O)CC(C)N(C)CC(=O)N 2230a_100000739694_100009817358 [0,2,0,0,0,0|2,0,0]=4 646 B12R0.235 COC(=O)CC(C)N(C)CC(=O)O 269956a_100000746989_100009817358 [0,2,0,0,0,0|1,0,0]=3 647 B12R0.283 C=COC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000036128 [0,2,0,0,0,0|2,0,0]=4 648 B12R0.283 CC(=O)SCC(C)CC(=O)CCO 1458a_100011216618_200000116872 [0,2,0,0,0,0|2,0,0]=4 649 B12R0.283 CCOC(=O)CC(C)NCC(=O)N 2230a_100000711301_100009817359 [0,2,0,0,0,0|2,0,0]=4 650 B12R0.283 CCOC(=O)CC(C)NCC(=O)O 269956a_100016091260_100009817359 [0,2,0,0,0,0|1,0,0]=3 651 B12R0.283 CCOC(=O)CC(C)SCC(=O)N 62a_100000747473_100009817359 [0,2,0,0,0,0|2,0,0]=4 652 B12R0.283 CCOC(=O)CC(C)SCC(=O)N 62a_100009817359_100000747473 [0,2,0,0,0,0|2,0,0]=4 653 B12R0.283 CCOC(=O)CC(C)SCC(=O)[O-] 62a_100009817359_100020667443 [0,2,0,0,0,0|1,0,1]=4 654 B12R0.283 CCOC(=O)CC(C)SCC(=O)[O-] 62a_100020667443_100009817359 [0,2,0,0,0,0|1,0,1]=4 655 B12R0.283 CCOC(=O)CN(C)CCC(=O)N 2230a_100000220588_100000744528 [0,2,0,0,0,0|2,0,0]=4 656 B12R0.283 CCOC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000188475 [0,2,0,0,0,0|2,0,0]=4 657 B12R0.283 CCOC(=O)C[C@@H](C)OCC(=O)N 7a_100009816390_100000187820 [0,2,0,0,0,0|2,0,0]=4 658 B12R0.283 CN(CCC(=O)N)CC(=O)NCO 2230a_100000730477_100000185155 [0,2,0,0,0,0|2,0,0]=4 659 B12R0.283 COCC(=O)CC(C)CSC(=O)C 1458a_100000210968_200000116872 [0,2,0,0,0,0|2,0,0]=4 660 B12R0.482 COC(=O)CC(C)(C)OCC(=O)N 7a_100015205050_100000187820 [0,2,0,0,0,0|2,0,0]=4 661 B12R0.272 CCNC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000737597 [0,2,0,0,0,0|2,0,0]=4 662 B12R0.272 CCOC(=O)CCN(C)CC(=O)N 2230a_100000739694_100011206558 [0,2,0,0,0,0|2,0,0]=4 663 B12R0.272 CCOC(=O)CCN(C)CC(=O)N 2230a_100000745921_100000747473 [0,2,0,0,0,0|2,0,0]=4 664 B12R0.272 CCOC(=O)CCN(C)CC(=O)N 269982a_100000745921_100000187820 [0,2,0,0,0,0|2,0,0]=4 665 B12R0.272 CCOC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000765890 [0,2,0,0,0,0|1,0,0]=3 666 B12R0.272 CCOC(=O)CCN(C)CC(=O)[O-] 269982a_100000745921_100020667443 [0,2,0,0,0,0|1,0,1]=4 667 B12R0.322 CCC(=O)CN[C@H](CC)CC(=O)O 269956a_100016995926_100000747405 [0,2,0,0,0,0|2,0,0]=4 668 B12R0.322 CCC(=O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000747405 [0,2,0,0,0,0|2,0,0]=4 669 B12R0.322 CCN(CCC(=O)NC)CC(=O)O 269956a_100000746405_100000737683 [0,2,0,0,0,0|2,0,0]=4 670 B12R0.322 CCN(CCC(=O)OC)CC(=O)N 2230a_100000229097_100000747473 [0,2,0,0,0,0|2,0,0]=4 671 B12R0.322 CCN(CCC(=O)OC)CC(=O)N 269982a_100000229097_100000187820 [0,2,0,0,0,0|2,0,0]=4 672 B12R0.322 CCN(CCC(=O)OC)CC(=O)O 269956a_100000746405_100000204255 [0,2,0,0,0,0|1,0,0]=3 673 B12R0.322 CCN(CCC(=O)OC)CC(=O)[O-] 269982a_100000229097_100020667443 [0,2,0,0,0,0|1,0,1]=4 674 B12R0.322 CC[C@H](CC(=O)O)NCC(=O)NC 269956a_100016995926_100000183359 [0,2,0,0,0,0|2,0,0]=4 675 B12R0.322 CC[C@H](CC(=O)O)NCC(=O)OC 269956a_100016995926_100000747449 [0,2,0,0,0,0|1,0,0]=3 676 B12R0.322 CNC(=O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000183359 [0,2,0,0,0,0|2,0,0]=4 677 B12R0.322 COC(=O)CCN(CO)CC(=O)[O-] 269956a_100016989150_100000204255 [0,2,0,0,0,0|1,0,1]=4 678 B12R0.322 COC(=O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000747449 [0,2,0,0,0,0|1,0,0]=3 679 B12R0.346 CNC(=O)CCN(C)C(C)C(=O)O 269956a_100000749554_100000737683 [0,2,0,0,0,0|2,0,0]=4 680 B12R0.346 COC(=O)CCN(C)C(C)C(=O)C 269982a_100025711912_100009814033 [0,2,0,0,0,0|2,0,0]=4 681 B12R0.346 COC(=O)CCN(C)C(C)C(=O)N 269982a_100025711912_100000184083 [0,2,0,0,0,0|2,0,0]=4 682 B12R0.346 COC(=O)CCN(C)C(C)C(=O)O 269956a_100000749554_100000204255 [0,2,0,0,0,0|1,0,0]=3 683 B12R0.346 COC(=O)CCN(C)C(F)C(=O)N 269982a_100025711912_100009813875 [0,2,0,0,0,0|2,0,0]=4 684 B12R0.346 COC(=O)CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000747449 [0,2,0,0,0,0|2,0,0]=4 685 B12R0.505 CCC(=O)CNC(C)(C)CC(=O)O 269956a_100000755897_100000747405 [0,2,0,0,0,0|2,0,0]=4 686 B12R0.505 CNC(=O)CNC(C)(C)CC(=O)O 269956a_100000755897_100000183359 [0,2,0,0,0,0|2,0,0]=4 687 B12R0.505 COC(=O)CNC(C)(C)CC(=O)N 2230a_100000763158_100000747449 [0,2,0,0,0,0|2,0,0]=4 688 B12R0.505 COC(=O)CNC(C)(C)CC(=O)O 269956a_100000755897_100000747449 [0,2,0,0,0,0|1,0,0]=3 689 B12R0.505 COC(=O)COC(C)(C)CC(=O)C 7a_100000210262_100000747449 [0,2,0,0,0,0|2,0,0]=4 690 B12R0.52 C#CCN(CCC(=O)C)CC(=O)O 269956a_100011236498_100000053229 [0,2,0,0,0,0|2,0,0]=4 691 B12R0.52 C#CCN(CCC(=O)N)CC(=O)O 269956a_100011236498_100000744528 [0,2,0,0,0,0|2,0,0]=4 692 B12R0.52 C=CCN(CCC(=O)C)CC(=O)O 269956a_100000744315_100000053229 [0,2,0,0,0,0|2,0,0]=4 693 B12R0.52 C=CCN(CCC(=O)N)CC(=O)O 269956a_100000744315_100000744528 [0,2,0,0,0,0|2,0,0]=4 694 B12R0.52 CC(=O)CCN(CCO)CC(=O)O 269956a_100000747938_100000053229 [0,2,0,0,0,0|2,0,0]=4 695 B12R0.52 NC(=O)CCN(CCO)CC(=O)O 269956a_100000747938_100000744528 [0,2,0,0,0,0|2,0,0]=4 696 B12R0.138 CC(C)C(CC(=O)O)NCC(=O)N 269956a_100000695669_100000187820 [0,2,0,0,0,0|2,0,0]=4 697 B12R0.138 CC(C)C(CC(=O)O)NCC(=O)[O-] 269956a_100000695669_100020667443 [0,2,0,0,0,0|1,0,1]=4 698 B12R0.583 CC(=O)CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000053229 [0,2,0,0,0,0|2,0,0]=4 699 B12R0.583 CN(CCC(=O)N)[C@@H](CO)C(=O)O 269956a_100015362447_100000744528 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.16 O=CCNC1CNC(=O)C1 2230a_100000697751_200015260668 [1,0,0,1,0,0|2,0,0]=4 701 B10R1.16 O=CCOC1CCC(=O)C1 34a_100012614533_200009817547 [1,0,0,1,0,0|2,0,0]=4 702 B10R1.16 O=CCOC1CNC(=O)C1 34a_100000690082_200009817547 [1,0,0,1,0,0|2,0,0]=4 703 B10R1.16 O=CCSC1COC(=O)O1 62a_200015260668_100000032252 [1,0,0,1,0,0|2,0,0]=4 704 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [1,0,0,1,0,0|1,0,1]=4 705 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [1,0,0,1,0,0|1,0,1]=4 706 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [1,0,0,1,0,0|1,0,1]=4 707 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [1,0,0,1,0,0|2,0,0]=4 708 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [1,0,0,1,0,0|2,0,0]=4 709 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [1,0,0,1,0,0|2,0,0]=4 710 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [1,0,0,1,0,0|2,0,0]=4 711 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [1,0,0,1,0,0|2,0,0]=4 712 B10R1.268 CN(CC(=O)O)CC1CO1 269956a_100000746989_102125554688 [1,0,0,1,0,0|1,0,1]=4 713 B10R1.268 CN(CC(=O)O)C[C@@H]1CO1 269956a_100000746989_100000745022 [1,0,0,1,0,0|1,0,1]=4 714 B10R1.59 CC(=O)C1CC(OC1=O)C 1458a_100000070787_200000216747 [1,0,0,1,0,0|2,0,0]=4 715 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [1,0,0,1,0,0|1,0,1]=4 716 B10R1.82 NC(=O)CSC1CC(=O)C1 62a_100009894365_100000747473 [1,0,0,1,0,0|2,0,0]=4 717 B10R1.82 O=C(O)CNC1CC(=O)C1 269956a_100016091260_100009894365 [1,0,0,1,0,0|1,0,0]=3 718 B10R1.82 O=C([O-])CSC1CC(=O)C1 62a_100009894365_100020667443 [1,0,0,1,0,0|1,0,1]=4 719 B10R1.93 NC(=O)C1CN(C1)CC=O 34a_100025753142_200009817547 [1,0,0,1,0,0|2,0,0]=4 720 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,0,0,1,1,0|2,0,0]=4 721 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,0,0,1,1,0|2,0,0]=4 722 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,0,0,1,1,0|2,0,0]=4 723 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [0,0,0,1,1,0|2,0,0]=4 724 B12R1.105 CC(=O)CCOC1COC(=O)O1 34a_100000759926_100000032252 [0,0,0,1,0,1|2,0,0]=4 725 B12R1.105 CC(=O)CCSC1COC(=O)O1 62a_100000053229_100000032252 [0,0,0,1,0,1|2,0,0]=4 726 B12R1.105 CC(=O)COCC1COC(=O)O1 34a_100000211253_100000073702 [0,0,0,1,0,1|2,0,0]=4 727 B12R1.105 CC(=O)COC[C@H]1COC(=O)N1 34a_100000211253_100015307671 [0,0,0,1,0,1|2,0,0]=4 728 B12R1.105 NC(=O)CCNC1CNC(=O)C1 2230a_100000697751_100000744528 [0,0,0,1,0,1|2,0,0]=4 729 B12R1.105 NC(=O)CCOC1CCC(=O)C1 34a_100012614533_100000731001 [0,0,0,1,0,1|2,0,0]=4 730 B12R1.105 NC(=O)CCOC1CNC(=O)C1 34a_100000690082_100000731001 [0,0,0,1,0,1|2,0,0]=4 731 B12R1.105 NC(=O)CCOC1COC(=O)O1 34a_100000757172_100000032252 [0,0,0,1,0,1|2,0,0]=4 732 B12R1.105 NC(=O)CCSC1COC(=O)O1 62a_100000744528_100000032252 [0,0,0,1,0,1|2,0,0]=4 733 B12R1.105 NC(=O)CNCC1CNC(=O)C1 2230a_100016993742_100000747473 [0,0,0,1,0,1|2,0,0]=4 734 B12R1.105 NC(=O)CNCC1CNC(=O)C1 34a_100016993742_100000187820 [0,0,0,1,0,1|2,0,0]=4 735 B12R1.105 NC(=O)CNC[C@H]1COC(=O)N1 2230a_100000711301_100015307671 [0,0,0,1,0,1|2,0,0]=4 736 B12R1.105 NC(=O)COCC1CNC(=O)C1 34a_100016041077_100000187820 [0,0,0,1,0,1|2,0,0]=4 737 B12R1.105 NC(=O)CSCC1COC(=O)O1 62a_100000073702_100000747473 [0,0,0,1,0,1|2,0,0]=4 738 B12R1.105 NC(=O)CSCC1COC(=O)O1 62a_100000747473_100000073702 [0,0,0,1,0,1|2,0,0]=4 739 B12R1.105 NC(=O)CSC[C@H]1COC(=O)N1 62a_100000747473_100015307671 [0,0,0,1,0,1|2,0,0]=4 740 B12R1.105 NC(=O)CSC[C@H]1COC(=O)N1 62a_100015307671_100000747473 [0,0,0,1,0,1|2,0,0]=4 741 B12R1.105 O=C(O)CNCC1=CC(=O)OC1 269956a_100016091260_100000716558 [0,0,0,1,0,1|0,0,2]=4 742 B12R1.105 O=C(O)CNCC1CNC(=O)O1 269956a_100016091260_100000181169 [0,0,0,1,0,1|2,0,0]=4 743 B12R1.105 O=C(O)CNC[C@@H]1CCC(=O)N1 269956a_100016091260_100015189358 [0,0,0,1,0,1|2,0,0]=4 744 B12R1.105 O=C(O)CNC[C@H]1COC(=O)N1 269956a_100016091260_100015307671 [0,0,0,1,0,1|1,0,0]=3 745 B12R1.105 O=C([O-])CNCC1CNC(=O)C1 34a_100016993742_100020667443 [0,0,0,1,0,1|1,0,1]=4 746 B12R1.105 O=C([O-])COCC1CNC(=O)C1 34a_100016041077_100020667443 [0,0,0,1,0,1|1,0,1]=4 747 B12R1.105 O=C([O-])CSCC1COC(=O)O1 62a_100000073702_100020667443 [0,0,0,1,0,1|1,0,1]=4 748 B12R1.105 O=C([O-])CSCC1COC(=O)O1 62a_100020667443_100000073702 [0,0,0,1,0,1|1,0,1]=4 749 B12R1.105 O=C([O-])CSC[C@H]1COC(=O)N1 62a_100015307671_100020667443 [0,0,0,1,0,1|1,0,1]=4 750 B12R1.105 O=C([O-])CSC[C@H]1COC(=O)N1 62a_100020667443_100015307671 [0,0,0,1,0,1|1,0,1]=4 751 B12R1.1061 CN(CC(=O)O)CC1CC(=O)C1 269956a_100000746989_100009874392 [0,0,0,1,0,1|2,0,0]=4 752 B12R1.1394 C=C(C)CN1CC(C1)CC(=O)O 269956a_100016993960_100000748629 [0,0,0,1,0,1|2,0,0]=4 753 B12R1.1394 C=C(F)CN1CC(C1)CC(=O)O 269956a_100016993960_100000042424 [0,0,0,1,0,1|2,0,0]=4 754 B12R1.1394 CC(O)CN1CC(C1)CC(=O)O 269956a_100016993960_100011218427 [0,0,0,1,0,1|1,0,1]=4 755 B12R1.1394 C[C@@H](O)CN1CC(C1)CC(=O)O 269956a_100016993960_100009817552 [0,0,0,1,0,1|1,0,1]=4 756 B12R1.1394 NC(=O)CN1CC(C1)CC(=O)O 269956a_100016993960_100000187820 [0,0,0,1,0,1|1,0,0]=3 757 B12R1.1394 O=C(O)CC1CN(C1)C[N+](=O)[O-] 269956a_100016993960_100000761209 [0,0,0,1,0,1|1,0,1]=4 758 B12R1.1394 O=C([O-])CN1CC(C1)CC(=O)O 269956a_100016993960_100020667443 [0,0,0,1,0,1|0,0,1]=3 759 B12R1.21 NC(=O)CNC1CCC(=O)NC1 2230a_100000748762_100000747473 [0,0,0,1,0,1|2,0,0]=4 760 B12R1.21 NC(=O)CNC1CCC(=O)NC1 34a_100000748762_100000187820 [0,0,0,1,0,1|2,0,0]=4 761 B12R1.21 NC(=O)COC1CCC(=O)CC1 34a_100000764474_100000187820 [0,0,0,1,0,1|2,0,0]=4 762 B12R1.21 NC(=O)COC1CCC(=O)CC1 7a_100000764474_100000187820 [0,0,0,1,0,1|2,0,0]=4 763 B12R1.21 NC(=O)COC1CCC(=O)NC1 34a_100000079199_100000187820 [0,0,0,1,0,1|2,0,0]=4 764 B12R1.21 O=C([O-])CNC1CCC(=O)NC1 34a_100000748762_100020667443 [0,0,0,1,0,1|1,0,1]=4 765 B12R1.21 O=C([O-])COC1CCC(=O)CC1 34a_100000764474_100020667443 [0,0,0,1,0,1|1,0,1]=4 766 B12R1.21 O=C([O-])COC1CCC(=O)NC1 34a_100000079199_100020667443 [0,0,0,1,0,1|1,0,1]=4 767 B12R1.1344 C=C(C)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000748629 [0,0,0,1,0,1|2,0,0]=4 768 B12R1.1344 C=C(F)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000042424 [0,0,0,1,0,1|2,0,0]=4 769 B12R1.1344 CC(O)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011218427 [0,0,0,1,0,1|1,0,1]=4 770 B12R1.1344 C[C@@H](O)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100009817552 [0,0,0,1,0,1|1,0,1]=4 771 B12R1.1344 NC(=O)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000187820 [0,0,0,1,0,1|1,0,0]=3 772 B12R1.1344 O=C(O)[C@H]1C[C@H](C1)NC[N+](=O)[O-] 269956a_100000738708_100000761209 [0,0,0,1,0,1|1,0,1]=4 773 B12R1.1344 O=C([O-])CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100020667443 [0,0,0,1,0,1|0,0,1]=3 774 B12R1.49 O=C1CCC(CN1)NC(=O)CO 240690a_100000748762_100000210174 [0,1,0,1,0,0|2,0,0]=4 775 B12R1.49 O=C1CCC(CN1)NC(=O)CO 527a_100000748762_100000210174 [0,1,0,1,0,0|2,0,0]=4 776 B12R1.226 NC(=O)CCN1CCOC(=O)C1 2230a_100000131268_100000744528 [0,1,0,1,0,0|2,0,0]=4 777 B12R1.1651 COC(=O)C1CN1CCC(=O)N 2230a_200009830135_100000744528 [0,1,0,1,0,0|2,0,0]=4 778 B12R1.1749 COC(=O)CC1CN(C1)C(=O)C 11a_100016993681_100015343762 [0,1,0,1,0,0|2,0,0]=4 779 B12R1.1749 COC(=O)CC1CN(C1)C(=O)C 1626a_100016993681_100015343762 [0,1,0,1,0,0|2,0,0]=4 780 B12R1.1749 COC(=O)CC1CN(C1)C(=O)C 240690a_100016993681_100015343762 [0,1,0,1,0,0|2,0,0]=4 781 B12R1.1749 COC(=O)CC1CN(C1)C(=O)C 527a_100016993681_100103153847 [0,1,0,1,0,0|2,0,0]=4 782 B12R1.1749 COC(=O)CN1CC(C1)C(=O)N 34a_100025753142_100000747449 [0,1,0,1,0,0|2,0,0]=4 783 B12R1.26 COC(=O)CCN1CNC(=O)C1 2230a_200000708111_100000204255 [0,1,0,1,0,0|2,0,0]=4 784 B12R1.26 COC(=O)CNC1CNC(=O)C1 2230a_100000697751_100000747449 [0,1,0,1,0,0|2,0,0]=4 785 B12R1.26 COC(=O)COC1CCC(=O)C1 34a_100012614533_100000747449 [0,1,0,1,0,0|2,0,0]=4 786 B12R1.26 COC(=O)COC1CNC(=O)C1 34a_100000690082_100000747449 [0,1,0,1,0,0|2,0,0]=4 787 B12R1.26 COC(=O)CSC1COC(=O)O1 62a_100000747449_100000032252 [0,1,0,1,0,0|2,0,0]=4 788 B12R1.26 O=C(CO)CCC1COS(=O)O1 1458a_100000210174_100009840081 [0,1,0,1,0,0|2,0,0]=4 789 B12R1.26 O=C(CO)NCC1CNC(=O)C1 240690a_100016993742_100000210174 [0,1,0,1,0,0|2,0,0]=4 790 B12R1.26 O=C(CO)NCC1CNC(=O)C1 527a_100016993742_100000210174 [0,1,0,1,0,0|2,0,0]=4 791 B12R1.1663 COC(=O)C1CN(C1)CC(=O)N 269982a_100015188540_100000187820 [0,1,0,1,0,0|2,0,0]=4 792 B12R1.1663 COC(=O)C1CN(C1)CC(=O)[O-] 269982a_100015188540_100020667443 [0,1,0,1,0,0|1,0,1]=4 793 B12R1.1663 COC(=O)[C@H]1C[C@@H](C1)NC(=O)C 188690a_100121571207_100015343762 [0,1,0,1,0,0|2,0,0]=4 794 B12R1.1402 CCN(CC(=O)O)C1CC(=O)C1 269956a_100000746405_100009894365 [0,1,0,1,0,0|2,0,0]=4 795 B12R1.1804 CC(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000053229 [0,1,0,1,0,0|2,0,0]=4 796 B12R1.1804 NC(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000744528 [0,1,0,1,0,0|2,0,0]=4 797 B12R1.222 CC(C(=O)O)N(C)C1CC(=O)C1 269956a_100000749554_100009894365 [0,1,0,1,0,0|2,0,0]=4 798 B12R2.2861 CC(=O)C12CC(C1)NC(=O)O2 1458a_202125939049_200000210301 [0,0,0,2,0,0|2,0,0]=4 799 B12R2.2861 [13CH3]C(=O)C12CC(C1)NC(=O)O2 1458a_202125939049_200025704644 [0,0,0,2,0,0|2,0,0]=4 800 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [1,0,0,0,1,0|2,0,0]=4 801 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [1,0,0,0,1,0|2,0,0]=4 802 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [1,0,0,0,1,0|2,0,0]=4 803 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [1,0,0,0,1,0|2,0,0]=4 804 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [1,0,0,0,1,0|2,0,0]=4 805 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [1,0,0,0,1,0|2,0,0]=4 806 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [1,0,0,0,1,0|2,0,0]=4 807 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [1,0,0,0,1,0|2,0,0]=4 808 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [1,0,0,0,1,0|2,0,0]=4 809 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [1,0,0,0,1,0|2,0,0]=4 810 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [1,0,0,0,1,0|1,0,0]=3 811 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,0,0,0,1,0|1,0,1]=4 812 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [1,0,0,0,1,0|1,0,1]=4 813 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,0,0,0,1,0|2,0,0]=4 814 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,0,0,0,1,0|2,0,0]=4 815 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [1,0,0,0,1,0|2,0,0]=4 816 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [1,0,0,0,1,0|1,0,1]=4 817 B10R0.3 C=CCC(C)COCC(=O)N 34a_100009832082_100000187820 [1,0,0,0,0,1|2,0,0]=4 818 B10R0.3 C=CCC(C)COCC(=O)N 7a_100009832082_100000187820 [1,0,0,0,0,1|2,0,0]=4 819 B10R0.3 C=CCC(C)COCC(=O)[O-] 34a_100009832082_100020667443 [1,0,0,0,0,1|1,0,1]=4 820 B10R0.3 C=CCN(C)CCCC(=O)O 269956a_100000719178_100000210623 [1,0,0,0,0,1|2,0,0]=4 821 B10R0.3 C=CC[C@@H](C)OCCC(=O)C 7a_100000731007_100000053229 [1,0,0,0,0,1|2,0,0]=4 822 B10R0.3 C=CC[C@@H](C)OCCC(=O)N 34a_100000731007_100000731001 [1,0,0,0,0,1|2,0,0]=4 823 B10R0.3 C=CC[C@@H](C)OCCC(=O)N 7a_100000731007_100000744528 [1,0,0,0,0,1|2,0,0]=4 824 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [1,0,0,0,0,1|1,0,1]=4 825 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [1,0,0,0,0,1|1,0,1]=4 826 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [1,0,0,0,0,1|1,0,1]=4 827 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [1,0,0,0,0,1|1,0,1]=4 828 B10R0.3 CC(CCO)NOCC(=O)O 269956a_100000106656_100009893172 [1,0,0,0,0,1|1,0,1]=4 829 B10R0.3 CC(CCO)OCCC(=O)N 34a_100000757172_100009893172 [1,0,0,0,0,1|1,0,1]=4 830 B10R0.3 CC(CCO)OCCC(=O)N 7a_100000757172_100009893172 [1,0,0,0,0,1|1,0,1]=4 831 B10R0.3 CC(CCO)SCCC(=O)N 62a_100000744528_100009893172 [1,0,0,0,0,1|1,0,1]=4 832 B10R0.3 CC(CCO)SCCC(=O)N 62a_100009893172_100000744528 [1,0,0,0,0,1|1,0,1]=4 833 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [1,0,0,0,0,1|1,0,1]=4 834 B10R0.3 CN(CC=O)CCCC(=O)O 269956a_100000719178_200015260668 [1,0,0,0,0,1|1,0,0]=3 835 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [1,0,0,0,0,1|1,0,1]=4 836 B10R0.3 C[C@H](CCO)NCCC(=O)N 2230a_100000706166_100000744528 [1,0,0,0,0,1|1,0,1]=4 837 B10R0.3 C[C@H](CCO)NCCC(=O)N 34a_100000706166_100000731001 [1,0,0,0,0,1|1,0,1]=4 838 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [1,0,0,0,0,1|2,0,0]=4 839 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [1,0,0,0,0,1|2,0,0]=4 840 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [1,0,0,0,0,1|2,0,0]=4 841 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [1,0,0,0,0,1|1,0,0]=3 842 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [1,0,0,0,0,1|2,0,0]=4 843 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [1,0,0,0,0,1|2,0,0]=4 844 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [1,0,0,0,0,1|2,0,0]=4 845 B10R0.97 CC(=O)CCCOCC(=O)[O-] 34a_100000759063_100020667443 [1,0,0,0,0,1|1,0,1]=4 846 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100000747473_100011215641 [1,0,0,0,0,1|2,0,0]=4 847 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100011215641_100000747473 [1,0,0,0,0,1|2,0,0]=4 848 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100011215641_100020667443 [1,0,0,0,0,1|1,0,1]=4 849 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011215641 [1,0,0,0,0,1|1,0,1]=4 850 B10R0.97 CC(=O)CCNOCC(=O)O 269956a_100000106656_100000053229 [1,0,0,0,0,1|2,0,0]=4 851 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [1,0,0,0,0,1|2,0,0]=4 852 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [1,0,0,0,0,1|2,0,0]=4 853 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [1,0,0,0,0,1|2,0,0]=4 854 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [1,0,0,0,0,1|2,0,0]=4 855 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [1,0,0,0,0,1|2,0,0]=4 856 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [1,0,0,0,0,1|2,0,0]=4 857 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [1,0,0,0,0,1|2,0,0]=4 858 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [1,0,0,0,0,1|2,0,0]=4 859 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [1,0,0,0,0,1|2,0,0]=4 860 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [1,0,0,0,0,1|2,0,0]=4 861 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [1,0,0,0,0,1|2,0,0]=4 862 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [1,0,0,0,0,1|2,0,0]=4 863 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [1,0,0,0,0,1|2,0,0]=4 864 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [1,0,0,0,0,1|2,0,0]=4 865 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [1,0,0,0,0,1|1,0,1]=4 866 B10R0.97 NC(=O)CCCNCC(=O)N 34a_100000739312_100000187820 [1,0,0,0,0,1|2,0,0]=4 867 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [1,0,0,0,0,1|1,0,0]=3 868 B10R0.97 NC(=O)CCCNCC(=O)[O-] 34a_100000739312_100020667443 [1,0,0,0,0,1|1,0,1]=4 869 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100000747473_100102525003 [1,0,0,0,0,1|2,0,0]=4 870 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100102525003_100000747473 [1,0,0,0,0,1|2,0,0]=4 871 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100020667443_100102525003 [1,0,0,0,0,1|1,0,1]=4 872 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100102525003_100020667443 [1,0,0,0,0,1|1,0,1]=4 873 B10R0.97 NC(=O)CCNOCC(=O)O 269956a_100000106656_100000744528 [1,0,0,0,0,1|2,0,0]=4 874 B10R0.97 NC(=O)CCOCCC(=O)N 34a_100000757172_100000731001 [1,0,0,0,0,1|2,0,0]=4 875 B10R0.97 NC(=O)CCOCCC(=O)N 7a_100000757172_100000744528 [1,0,0,0,0,1|2,0,0]=4 876 B10R0.97 NC(=O)CCSCCC(=O)N 62a_100000744528_100000744528 [1,0,0,0,0,1|2,0,0]=4 877 B10R0.97 NC(=O)NCCNCC(=O)O 269956a_100016091260_200000034859 [1,0,0,0,0,1|2,0,0]=4 878 B12R0.44 CC(=O)CCN(C)CCCC(=O)O 269956a_100000719178_100000053229 [0,0,0,0,0,2|2,0,0]=4 879 B12R0.44 CC(=O)COCC(C)CSC(=O)C 34a_100000211253_200000116872 [0,0,0,0,0,2|2,0,0]=4 880 B12R0.44 CC(=O)OCC(O)CNCC(=O)O 269956a_100016091260_200000139349 [0,0,0,0,0,2|2,0,0]=4 881 B12R0.44 CC(=O)OCN(C)CCCC(=O)O 269956a_100000719178_100000076356 [0,0,0,0,0,2|2,0,0]=4 882 B12R0.44 CC(=O)SCC(C)CNCC(=O)N 2230a_100000711301_200000116872 [0,0,0,0,0,2|2,0,0]=4 883 B12R0.44 CC(=O)SCC(C)CNCC(=O)O 269956a_100016091260_200000116872 [0,0,0,0,0,2|1,0,0]=3 884 B12R0.44 CC(=O)SCC(C)CSCC(=O)N 62a_100000747473_200000116872 [0,0,0,0,0,2|2,0,0]=4 885 B12R0.44 CC(=O)SCC(C)CSCC(=O)N 62a_200000116872_100000747473 [0,0,0,0,0,2|2,0,0]=4 886 B12R0.44 CC(=O)SCC(C)CSCC(=O)[O-] 62a_100020667443_200000116872 [0,0,0,0,0,2|1,0,1]=4 887 B12R0.44 CC(=O)SCC(C)CSCC(=O)[O-] 62a_200000116872_100020667443 [0,0,0,0,0,2|1,0,1]=4 888 B12R0.44 CC(CCCC(=O)[O-])OCC(=O)N 7a_100000761597_100000187820 [0,0,0,0,0,2|1,0,1]=4 889 B12R0.44 CN(CCCC(=O)O)CCC(=O)N 269956a_100000719178_100000744528 [0,0,0,0,0,2|2,0,0]=4 890 B12R0.270 CC(=O)CCCCN(C)CC(=O)O 269956a_100000746989_100000735457 [0,0,0,0,0,2|2,0,0]=4 891 B12R0.270 CC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000053229 [0,0,0,0,0,2|2,0,0]=4 892 B12R0.270 CC(=O)OCCCN(C)CC(=O)O 269956a_100000746989_100000042594 [0,0,0,0,0,2|2,0,0]=4 893 B12R0.270 CC(=O)OCNCC(O)CC(=O)O 269956a_100011218706_100000076356 [0,0,0,0,0,2|2,0,0]=4 894 B12R0.270 CC(=O)SCCCN(C)CC(=O)O 269956a_100000746989_100000038929 [0,0,0,0,0,2|2,0,0]=4 895 B12R0.270 CN(CCOCC(=O)N)CC(=O)O 269956a_100000746989_100000076697 [0,0,0,0,0,2|2,0,0]=4 896 B12R0.270 NC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000744528 [0,0,0,0,0,2|2,0,0]=4