0 B12R0.264 CC(=O)C(=O)CSCC[N+](C)(C)C 62a_100000085578_100011261029 [0,0,0,0,0,0|3,0,1]=4 1 B12R0.264 CC(=O)C(=O)CSCC[N+](C)(C)C 62a_100011261029_100000085578 [0,0,0,0,0,0|3,0,1]=4 2 B12R0.264 CC(=O)C(C)COCCC(C)(C)C 34a_100000032740_100000755188 [0,0,0,0,0,0|4,0,0]=4 3 B12R0.264 CC(=O)C(C)COCCC(C)(C)C 7a_100000032740_100000755188 [0,0,0,0,0,0|4,0,0]=4 4 B12R0.264 CC(=O)C(C)COCC[N+](C)(C)C 34a_100000032740_100000085578 [0,0,0,0,0,0|3,0,0]=3 5 B12R0.264 CC(=O)C(C)COCC[N+](C)(C)C 7a_100000032740_100000085578 [0,0,0,0,0,0|3,0,0]=3 6 B12R0.264 CC(=O)C(C)COCC[Si](C)(C)C 34a_100000032740_200000733723 [0,0,0,0,0,0|4,0,0]=4 7 B12R0.264 CC(=O)C(C)COCC[Si](C)(C)C 7a_100000032740_200000733723 [0,0,0,0,0,0|4,0,0]=4 8 B12R0.264 CC(=O)C(C)OCCC[N+](C)(C)C 34a_100000212229_100016990835 [0,0,0,0,0,0|3,0,0]=3 9 B12R0.264 CC(=O)C(C)OCCC[Si](C)(C)C 34a_100000212229_100011219597 [0,0,0,0,0,0|4,0,0]=4 10 B12R0.264 CC(=O)C(C)OCCC[Si](C)(C)C 7a_200011215415_100000179758 [0,0,0,0,0,0|4,0,0]=4 11 B12R0.264 CC(=O)C(C)SCCC[N+](C)(C)C 62a_100009814033_100016990835 [0,0,0,0,0,0|3,0,0]=3 12 B12R0.264 CC(=O)C(C)SCCC[N+](C)(C)C 62a_100016990835_100009814033 [0,0,0,0,0,0|3,0,0]=3 13 B12R0.264 CC(=O)C(C)SCCC[Si](C)(C)C 62a_100009814033_100011219597 [0,0,0,0,0,0|4,0,0]=4 14 B12R0.264 CC(=O)C(C)SCCC[Si](C)(C)C 62a_100011219597_100009814033 [0,0,0,0,0,0|4,0,0]=4 15 B12R0.264 CC(C)(C)CCNCC(F)C(=O)O 269956a_100000084737_100000755188 [0,0,0,0,0,0|3,0,0]=3 16 B12R0.264 CC(C)(C)CCOC[C@H](N)C(=O)N 34a_100000729942_100000755188 [0,0,0,0,0,0|3,0,0]=3 17 B12R0.264 CC(C)(O)CCNCC(F)C(=O)O 269956a_100000084737_100000702414 [0,0,0,0,0,0|4,0,0]=4 18 B12R0.264 CC(C)(O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000702414 [0,0,0,0,0,0|4,0,0]=4 19 B12R0.264 CC(C)[C@@H](N)COCC[N+](C)(C)C 34a_100011830312_100000085578 [0,0,0,0,0,0|3,0,1]=4 20 B12R0.264 CC(CNCCC(C)(C)C)C(=O)O 269956a_100000749485_100000755188 [0,0,0,0,0,0|3,0,0]=3 21 B12R0.264 CC(CNCCC(C)(C)O)C(=O)O 269956a_100000749485_100000702414 [0,0,0,0,0,0|4,0,0]=4 22 B12R0.264 CC(CNCC[N+](C)(C)C)C(=O)O 269956a_100000749485_100000085578 [0,0,0,0,0,0|2,0,0]=2 23 B12R0.264 CC(CNCC[Si](C)(C)C)C(=O)O 269956a_100000749485_200000733723 [0,0,0,0,0,0|3,0,0]=3 24 B12R0.264 CC(COCC[N+](C)(C)C)[N+](=O)[O-] 34a_100000039676_100000085578 [0,0,0,0,0,0|3,0,1]=4 25 B12R0.264 CC(COCC[N+](C)(C)C)[N+](=O)[O-] 7a_100000039676_100000085578 [0,0,0,0,0,0|3,0,1]=4 26 B12R0.264 CC(OCCC[Si](C)(C)C)C(=O)N 7a_200011215415_100000702099 [0,0,0,0,0,0|4,0,0]=4 27 B12R0.264 CC(SCCC[N+](C)(C)C)C(=O)N 62a_100000702099_100016990835 [0,0,0,0,0,0|3,0,0]=3 28 B12R0.264 CC(SCCC[N+](C)(C)C)C(=O)N 62a_100016990835_100000702099 [0,0,0,0,0,0|3,0,0]=3 29 B12R0.264 CC(SCCC[Si](C)(C)C)C(=O)N 62a_100000702099_100011219597 [0,0,0,0,0,0|4,0,0]=4 30 B12R0.264 CC(SCCC[Si](C)(C)C)C(=O)N 62a_100011219597_100000702099 [0,0,0,0,0,0|4,0,0]=4 31 B12R0.264 C[C@@H](NCCC[N+](C)(C)C)C(=O)N 2230a_100000119354_100016990835 [0,0,0,0,0,0|3,0,0]=3 32 B12R0.264 C[C@@H](NCCC[N+](C)(C)C)C(=O)N 34a_100000119354_100016990835 [0,0,0,0,0,0|3,0,0]=3 33 B12R0.264 C[C@@H](NCCC[Si](C)(C)C)C(=O)N 2230a_100000119354_100011219597 [0,0,0,0,0,0|4,0,0]=4 34 B12R0.264 C[C@@H](NCCC[Si](C)(C)C)C(=O)N 34a_100000119354_100011219597 [0,0,0,0,0,0|4,0,0]=4 35 B12R0.264 C[C@@H](OCCC[N+](C)(C)C)C(=O)N 34a_100000731257_100016990835 [0,0,0,0,0,0|3,0,0]=3 36 B12R0.264 C[C@@H](OCCC[N+](C)(C)C)C(=O)N 7a_100000731257_100016990835 [0,0,0,0,0,0|3,0,0]=3 37 B12R0.264 C[C@@H](OCCC[Si](C)(C)C)C(=O)N 34a_100000731257_100011219597 [0,0,0,0,0,0|4,0,0]=4 38 B12R0.264 C[C@@H](OCCC[Si](C)(C)C)C(=O)N 7a_100000731257_100011219597 [0,0,0,0,0,0|4,0,0]=4 39 B12R0.264 C[C@H](NCCCC(C)(C)O)C(=O)O 269956a_100000743915_100009888830 [0,0,0,0,0,0|4,0,0]=4 40 B12R0.264 C[C@H](NCCC[N+](C)(C)C)C(=O)O 269956a_100000743915_100016990835 [0,0,0,0,0,0|2,0,0]=2 41 B12R0.264 C[C@H](NCCC[Si](C)(C)C)C(=O)O 269956a_100000743915_100011219597 [0,0,0,0,0,0|3,0,0]=3 42 B12R0.264 C[C@H](NCCO[Si](C)(C)C)C(=O)O 269956a_100000743915_200000032530 [0,0,0,0,0,0|4,0,0]=4 43 B12R0.264 C[C@H](OCCC[N+](C)(C)C)C(=O)[O-] 7a_217856618621_100016990835 [0,0,0,0,0,0|2,0,1]=3 44 B12R0.264 C[C@H](OCCC[Si](C)(C)C)C(=O)[O-] 7a_217856618621_100011219597 [0,0,0,0,0,0|3,0,1]=4 45 B12R0.264 C[N+](C)(C)CCCSC(F)C(=O)N 62a_100009813875_100016990835 [0,0,0,0,0,0|3,0,0]=3 46 B12R0.264 C[N+](C)(C)CCCSC(F)C(=O)N 62a_100016990835_100009813875 [0,0,0,0,0,0|3,0,0]=3 47 B12R0.264 C[N+](C)(C)CCCSC(F)C(=O)[O-] 62a_100016990835_100020610796 [0,0,0,0,0,0|2,0,1]=3 48 B12R0.264 C[N+](C)(C)CCCSC(F)C(=O)[O-] 62a_100020610796_100016990835 [0,0,0,0,0,0|2,0,1]=3 49 B12R0.264 C[N+](C)(C)CCNCC(F)C(=O)O 269956a_100000084737_100000085578 [0,0,0,0,0,0|2,0,0]=2 50 B12R0.264 C[N+](C)(C)CCOC[C@H](N)C(=O)N 34a_100000729942_100000085578 [0,0,0,0,0,0|2,0,0]=2 51 B12R0.264 C[Si](C)(C)CCCOC(F)C(=O)N 7a_200011215415_100009813875 [0,0,0,0,0,0|4,0,0]=4 52 B12R0.264 C[Si](C)(C)CCCSC(F)C(=O)N 62a_100009813875_100011219597 [0,0,0,0,0,0|4,0,0]=4 53 B12R0.264 C[Si](C)(C)CCCSC(F)C(=O)N 62a_100011219597_100009813875 [0,0,0,0,0,0|4,0,0]=4 54 B12R0.264 C[Si](C)(C)CCCSC(F)C(=O)[O-] 62a_100011219597_100020610796 [0,0,0,0,0,0|3,0,1]=4 55 B12R0.264 C[Si](C)(C)CCCSC(F)C(=O)[O-] 62a_100020610796_100011219597 [0,0,0,0,0,0|3,0,1]=4 56 B12R0.264 C[Si](C)(C)CCNCC(F)C(=O)O 269956a_100000084737_200000733723 [0,0,0,0,0,0|3,0,0]=3 57 B12R0.264 C[Si](C)(C)CCOC[C@H](N)C(=O)N 34a_100000729942_200000733723 [0,0,0,0,0,0|3,0,0]=3 58 B11R0.29 CC(C)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011214892 [1,0,0,0,0,0|3,0,0]=4 59 B11R0.29 CC(C)CCNCC(C)C(=O)O 269956a_100000749485_100000210312 [1,0,0,0,0,0|3,0,0]=4 60 B11R0.29 CC(C)CCNCC(F)C(=O)O 269956a_100000084737_100000210312 [1,0,0,0,0,0|3,0,0]=4 61 B11R0.29 CC(C)CCOC[C@H](N)C(=O)N 34a_100000729942_100000210312 [1,0,0,0,0,0|3,0,0]=4 62 B11R0.29 CC(CNCCN(C)C)C(=O)O 269956a_100000749485_100000755713 [1,0,0,0,0,0|2,0,1]=4 63 B11R0.29 CN(C)CCNCC(F)C(=O)O 269956a_100000084737_100000755713 [1,0,0,0,0,0|2,0,1]=4 64 B11R0.29 C[C@H](NCCCN(C)C)C(=O)O 269956a_100000743915_100000757444 [1,0,0,0,0,0|2,0,1]=4 65 B11R0.31 C=C(Br)CCOCC[N+](C)(C)C 34a_100009813270_100000085578 [1,0,0,0,0,0|3,0,0]=4 66 B11R0.31 C=C(C)CCOCC[N+](C)(C)C 34a_100000764851_100000085578 [1,0,0,0,0,0|3,0,0]=4 67 B11R0.31 C=C(C)CCOCC[N+](C)(C)C 7a_200020618287_100000730704 [1,0,0,0,0,0|3,0,0]=4 68 B11R0.31 C=C(C)CCSCC[N+](C)(C)C 62a_100000085578_100000730704 [1,0,0,0,0,0|3,0,0]=4 69 B11R0.31 C=C(C)CCSCC[N+](C)(C)C 62a_100000730704_100000085578 [1,0,0,0,0,0|3,0,0]=4 70 B11R0.31 C=C(C)COCCC[N+](C)(C)C 34a_100000210245_100016990835 [1,0,0,0,0,0|3,0,0]=4 71 B11R0.31 C=C(C)CSCCC[N+](C)(C)C 62a_100000748629_100016990835 [1,0,0,0,0,0|3,0,0]=4 72 B11R0.31 C=C(C)CSCCC[N+](C)(C)C 62a_100016990835_100000211660 [1,0,0,0,0,0|3,0,0]=4 73 B11R0.31 C=C(F)COCCC[N+](C)(C)C 34a_200010262243_100016990835 [1,0,0,0,0,0|3,0,0]=4 74 B11R0.31 C=C(F)CSCCC[N+](C)(C)C 62a_100000042424_100016990835 [1,0,0,0,0,0|3,0,0]=4 75 B11R0.31 C=C(F)CSCCC[N+](C)(C)C 62a_100016990835_100000042424 [1,0,0,0,0,0|3,0,0]=4 76 B11R0.31 CC(=O)CCCCCC(C)(C)C 1458a_100012017116_200000210301 [1,0,0,0,0,0|2,0,0]=3 77 B11R0.31 CC(=O)CCCCC[N+](C)(C)C 1458a_100000070787_100009813293 [1,0,0,0,0,0|1,0,0]=2 78 B11R0.31 CC(=O)CCCCOC(C)(C)C 34a_100015890283_100009817362 [1,0,0,0,0,0|3,0,0]=4 79 B11R0.31 CC(=O)CCCCOC(C)(C)C 7a_100015890283_100000735457 [1,0,0,0,0,0|3,0,0]=4 80 B11R0.31 CC(=O)CCCCSC(C)(C)C 62a_100000211941_100000735457 [1,0,0,0,0,0|3,0,0]=4 81 B11R0.31 CC(=O)CCCCSC(C)(C)C 62a_100000735457_100000211941 [1,0,0,0,0,0|3,0,0]=4 82 B11R0.31 CC(=O)CCCOCC(C)(C)C 34a_100000759063_100011219605 [1,0,0,0,0,0|3,0,0]=4 83 B11R0.31 CC(=O)CCCOC[Si](C)(C)C 7a_100000759063_100000233785 [1,0,0,0,0,0|3,0,0]=4 84 B11R0.31 CC(=O)CCCSCC(C)(C)C 62a_100011215641_100011219605 [1,0,0,0,0,0|3,0,0]=4 85 B11R0.31 CC(=O)CCCSCC(C)(C)C 62a_100011219605_100011215641 [1,0,0,0,0,0|3,0,0]=4 86 B11R0.31 CC(=O)CCCSC[N+](C)(C)C 62a_100011215641_200000036245 [1,0,0,0,0,0|2,0,0]=3 87 B11R0.31 CC(=O)CCCSC[N+](C)(C)C 62a_200000036245_100011215641 [1,0,0,0,0,0|2,0,0]=3 88 B11R0.31 CC(=O)CCCSC[Si](C)(C)C 62a_100000037933_100011215641 [1,0,0,0,0,0|3,0,0]=4 89 B11R0.31 CC(=O)CCCSC[Si](C)(C)C 62a_100011215641_100000037933 [1,0,0,0,0,0|3,0,0]=4 90 B11R0.31 CC(=O)CCOCCC(C)(C)C 34a_100000759926_100000755188 [1,0,0,0,0,0|3,0,0]=4 91 B11R0.31 CC(=O)CCOCCC(C)(C)C 7a_100000759926_100000755188 [1,0,0,0,0,0|3,0,0]=4 92 B11R0.31 CC(=O)CCOCCC(C)(C)C 7a_100000765024_100000053229 [1,0,0,0,0,0|3,0,0]=4 93 B11R0.31 CC(=O)CCOCC[N+](C)(C)C 34a_100000759926_100000085578 [1,0,0,0,0,0|2,0,0]=3 94 B11R0.31 CC(=O)CCOCC[N+](C)(C)C 7a_100000759926_100000085578 [1,0,0,0,0,0|2,0,0]=3 95 B11R0.31 CC(=O)CCOCC[N+](C)(C)C 7a_200020618287_100000053229 [1,0,0,0,0,0|2,0,0]=3 96 B11R0.31 CC(=O)CCOCC[Si](C)(C)C 34a_100000759926_200000733723 [1,0,0,0,0,0|3,0,0]=4 97 B11R0.31 CC(=O)CCOCC[Si](C)(C)C 7a_100000039746_100000053229 [1,0,0,0,0,0|3,0,0]=4 98 B11R0.31 CC(=O)CCOCC[Si](C)(C)C 7a_100000759926_200000733723 [1,0,0,0,0,0|3,0,0]=4 99 B11R0.31 CC(=O)CCSCCC(C)(C)C 62a_100000053229_100000755188 [1,0,0,0,0,0|3,0,0]=4 100 B11R0.31 CC(=O)CCSCCC(C)(C)C 62a_100000755188_100000053229 [1,0,0,0,0,0|3,0,0]=4 101 B11R0.31 CC(=O)CCSCC[N+](C)(C)C 62a_100000053229_100000085578 [1,0,0,0,0,0|2,0,0]=3 102 B11R0.31 CC(=O)CCSCC[N+](C)(C)C 62a_100000085578_100000053229 [1,0,0,0,0,0|2,0,0]=3 103 B11R0.31 CC(=O)CCSCC[Si](C)(C)C 62a_100000053229_200000733723 [1,0,0,0,0,0|3,0,0]=4 104 B11R0.31 CC(=O)CCSCC[Si](C)(C)C 62a_200000733723_100000053229 [1,0,0,0,0,0|3,0,0]=4 105 B11R0.31 CC(=O)COCCC[N+](C)(C)C 34a_100000211253_100016990835 [1,0,0,0,0,0|2,0,0]=3 106 B11R0.31 CC(=O)COCCC[Si](C)(C)C 34a_100000211253_100011219597 [1,0,0,0,0,0|3,0,0]=4 107 B11R0.31 CC(=O)NCCSC[N+](C)(C)C 62a_100000189650_200000036245 [1,0,0,0,0,0|3,0,0]=4 108 B11R0.31 CC(=O)NCCSC[N+](C)(C)C 62a_200000036245_100000189650 [1,0,0,0,0,0|3,0,0]=4 109 B11R0.31 CC(=O)OCCSC[N+](C)(C)C 62a_100009814007_200000036245 [1,0,0,0,0,0|3,0,0]=4 110 B11R0.31 CC(=O)OCCSC[N+](C)(C)C 62a_200000036245_100009814007 [1,0,0,0,0,0|3,0,0]=4 111 B11R0.31 CC(=O)OCSCC[N+](C)(C)C 62a_100000076356_100000085578 [1,0,0,0,0,0|3,0,0]=4 112 B11R0.31 CC(=O)OCSCC[N+](C)(C)C 62a_100000085578_100000076356 [1,0,0,0,0,0|3,0,0]=4 113 B11R0.31 CC(C)(C)CCCCCC(=O)[13CH3] 1458a_100012017116_200025704644 [1,0,0,0,0,0|2,0,0]=3 114 B11R0.31 CC(C)(C)CCNCCC(=O)N 2230a_100000738805_100000744528 [1,0,0,0,0,0|3,0,0]=4 115 B11R0.31 CC(C)(C)CCNOCC(=O)O 269956a_100000106656_100000755188 [1,0,0,0,0,0|3,0,0]=4 116 B11R0.31 CC(C)(C)CCOCCC(=O)N 34a_100000757172_100000755188 [1,0,0,0,0,0|3,0,0]=4 117 B11R0.31 CC(C)(C)CCOCCC(=O)N 7a_100000757172_100000755188 [1,0,0,0,0,0|3,0,0]=4 118 B11R0.31 CC(C)(C)CCOCCC(=O)N 7a_100000765024_100000744528 [1,0,0,0,0,0|3,0,0]=4 119 B11R0.31 CC(C)(C)CCSCCC(=O)N 62a_100000744528_100000755188 [1,0,0,0,0,0|3,0,0]=4 120 B11R0.31 CC(C)(C)CCSCCC(=O)N 62a_100000755188_100000744528 [1,0,0,0,0,0|3,0,0]=4 121 B11R0.31 CC(C)(C)CNCCCC(=O)N 34a_100000739312_100011219605 [1,0,0,0,0,0|3,0,0]=4 122 B11R0.31 CC(C)(C)CSCCCC(=O)N 62a_100011219605_100102525003 [1,0,0,0,0,0|3,0,0]=4 123 B11R0.31 CC(C)(C)CSCCCC(=O)N 62a_100102525003_100011219605 [1,0,0,0,0,0|3,0,0]=4 124 B11R0.31 CC(C)(C)NCCCCC(=O)N 34a_100000696515_100000210625 [1,0,0,0,0,0|3,0,0]=4 125 B11R0.31 CC(C)(C)NCCOCC(=O)O 269956a_100000700818_100000211941 [1,0,0,0,0,0|3,0,0]=4 126 B11R0.31 CC(C)(C)OCCCCC(=O)N 34a_100012022536_100000210625 [1,0,0,0,0,0|3,0,0]=4 127 B11R0.31 CC(C)(O)CCCNCC(=O)O 269956a_100016091260_100009888830 [1,0,0,0,0,0|3,0,0]=4 128 B11R0.31 CC(O)CCCSC[N+](C)(C)C 62a_200000036245_200000718107 [1,0,0,0,0,0|2,0,1]=4 129 B11R0.31 CC(O)CCCSC[N+](C)(C)C 62a_200000718107_200000036245 [1,0,0,0,0,0|2,0,1]=4 130 B11R0.31 CC(O)CCOCC[N+](C)(C)C 7a_200020618287_100012276601 [1,0,0,0,0,0|2,0,1]=4 131 B11R0.31 CC(O)CCSCC[N+](C)(C)C 62a_100000085578_100012276601 [1,0,0,0,0,0|2,0,1]=4 132 B11R0.31 CC(O)CCSCC[N+](C)(C)C 62a_100012276601_100000085578 [1,0,0,0,0,0|2,0,1]=4 133 B11R0.31 CC(O)CNCCC[N+](C)(C)C 2230a_100000210904_100016990835 [1,0,0,0,0,0|2,0,1]=4 134 B11R0.31 CC(O)CNCCC[N+](C)(C)C 34a_100000210904_100016990835 [1,0,0,0,0,0|2,0,1]=4 135 B11R0.31 CC(O)CSCCC[N+](C)(C)C 62a_100011218427_100016990835 [1,0,0,0,0,0|2,0,1]=4 136 B11R0.31 CC(O)CSCCC[N+](C)(C)C 62a_100016990835_100011218427 [1,0,0,0,0,0|2,0,1]=4 137 B11R0.31 CN(C)CCCCC[N+](C)(C)C 2230a_100102631434_100009813293 [1,0,0,0,0,0|3,0,0]=4 138 B11R0.31 CN(C)CCCCC[N+](C)(C)C 269982a_100102631434_100009813293 [1,0,0,0,0,0|3,0,0]=4 139 B11R0.31 C[C@@H](O)CSCCC[N+](C)(C)C 62a_100009817552_100016990835 [1,0,0,0,0,0|2,0,1]=4 140 B11R0.31 C[C@@H](O)CSCCC[N+](C)(C)C 62a_100016990835_100009817552 [1,0,0,0,0,0|2,0,1]=4 141 B11R0.31 C[N+](C)(C)CCCNCC(=O)N 2230a_100000711301_100016990835 [1,0,0,0,0,0|2,0,0]=3 142 B11R0.31 C[N+](C)(C)CCCNCC(=O)O 269956a_100016091260_100016990835 [1,0,0,0,0,0|1,0,0]=2 143 B11R0.31 C[N+](C)(C)CCCSCC(=O)N 62a_100000747473_100016990835 [1,0,0,0,0,0|2,0,0]=3 144 B11R0.31 C[N+](C)(C)CCCSCC(=O)N 62a_100016990835_100000747473 [1,0,0,0,0,0|2,0,0]=3 145 B11R0.31 C[N+](C)(C)CCCSCC(=O)[O-] 62a_100016990835_100020667443 [1,0,0,0,0,0|1,0,1]=3 146 B11R0.31 C[N+](C)(C)CCCSCC(=O)[O-] 62a_100020667443_100016990835 [1,0,0,0,0,0|1,0,1]=3 147 B11R0.31 C[N+](C)(C)CCCSC[N+](=O)[O-] 62a_100016990835_100000761209 [1,0,0,0,0,0|2,0,1]=4 148 B11R0.31 C[N+](C)(C)CCNOCC(=O)O 269956a_100000106656_100000085578 [1,0,0,0,0,0|2,0,0]=3 149 B11R0.31 C[N+](C)(C)CCOCCC(=O)N 34a_100000757172_100000085578 [1,0,0,0,0,0|2,0,0]=3 150 B11R0.31 C[N+](C)(C)CCOCCC(=O)N 7a_100000757172_100000085578 [1,0,0,0,0,0|2,0,0]=3 151 B11R0.31 C[N+](C)(C)CCOCCC(=O)N 7a_200020618287_100000744528 [1,0,0,0,0,0|2,0,0]=3 152 B11R0.31 C[N+](C)(C)CCSCCC(=O)N 62a_100000085578_100000744528 [1,0,0,0,0,0|2,0,0]=3 153 B11R0.31 C[N+](C)(C)CCSCCC(=O)N 62a_100000744528_100000085578 [1,0,0,0,0,0|2,0,0]=3 154 B11R0.31 C[N+](C)(C)CSCCCC(=O)N 62a_100102525003_200000036245 [1,0,0,0,0,0|2,0,0]=3 155 B11R0.31 C[N+](C)(C)CSCCCC(=O)N 62a_200000036245_100102525003 [1,0,0,0,0,0|2,0,0]=3 156 B11R0.31 C[N+](C)(C)CSCCNC(=O)N 62a_200000034859_200000036245 [1,0,0,0,0,0|3,0,0]=4 157 B11R0.31 C[N+](C)(C)CSCCNC(=O)N 62a_200000036245_200000034859 [1,0,0,0,0,0|3,0,0]=4 158 B11R0.31 C[N+](C)(C)CSCCOC(=O)N 62a_200000036245_200011214921 [1,0,0,0,0,0|3,0,0]=4 159 B11R0.31 C[N+](C)(C)CSCCOC(=O)N 62a_200011214921_200000036245 [1,0,0,0,0,0|3,0,0]=4 160 B11R0.31 C[Si](C)(C)CCCNCC(=O)N 2230a_100000711301_100011219597 [1,0,0,0,0,0|3,0,0]=4 161 B11R0.31 C[Si](C)(C)CCCNCC(=O)O 269956a_100016091260_100011219597 [1,0,0,0,0,0|2,0,0]=3 162 B11R0.31 C[Si](C)(C)CCCOCC(=O)N 7a_200011215415_100000187820 [1,0,0,0,0,0|3,0,0]=4 163 B11R0.31 C[Si](C)(C)CCCSCC(=O)N 62a_100000747473_100011219597 [1,0,0,0,0,0|3,0,0]=4 164 B11R0.31 C[Si](C)(C)CCCSCC(=O)N 62a_100011219597_100000747473 [1,0,0,0,0,0|3,0,0]=4 165 B11R0.31 C[Si](C)(C)CCCSCC(=O)[O-] 62a_100011219597_100020667443 [1,0,0,0,0,0|2,0,1]=4 166 B11R0.31 C[Si](C)(C)CCCSCC(=O)[O-] 62a_100020667443_100011219597 [1,0,0,0,0,0|2,0,1]=4 167 B11R0.31 C[Si](C)(C)CCNOCC(=O)O 269956a_100000106656_200000733723 [1,0,0,0,0,0|3,0,0]=4 168 B11R0.31 C[Si](C)(C)CCOCCC(=O)N 34a_100000757172_200000733723 [1,0,0,0,0,0|3,0,0]=4 169 B11R0.31 C[Si](C)(C)CCOCCC(=O)N 7a_100000039746_100000744528 [1,0,0,0,0,0|3,0,0]=4 170 B11R0.31 C[Si](C)(C)CCOCCC(=O)N 7a_100000757172_200000733723 [1,0,0,0,0,0|3,0,0]=4 171 B11R0.31 C[Si](C)(C)CCSCCC(=O)N 62a_100000744528_200000733723 [1,0,0,0,0,0|3,0,0]=4 172 B11R0.31 C[Si](C)(C)CCSCCC(=O)N 62a_200000733723_100000744528 [1,0,0,0,0,0|3,0,0]=4 173 B11R0.31 C[Si](C)(C)CSCCCC(=O)N 62a_100000037933_100102525003 [1,0,0,0,0,0|3,0,0]=4 174 B11R0.31 C[Si](C)(C)CSCCCC(=O)N 62a_100102525003_100000037933 [1,0,0,0,0,0|3,0,0]=4 175 B11R0.31 C[Si](C)(C)OCCNCC(=O)O 269956a_100016091260_200000032530 [1,0,0,0,0,0|3,0,0]=4 176 B11R0.114 C=CC(C)COCC[N+](C)(C)C 34a_100011215527_100000085578 [1,0,0,0,0,0|3,0,0]=4 177 B11R0.114 C=CC(C)COCC[N+](C)(C)C 7a_100011215527_100000085578 [1,0,0,0,0,0|3,0,0]=4 178 B11R0.114 C=CC(C)OCCC[N+](C)(C)C 34a_100000695699_100016990835 [1,0,0,0,0,0|3,0,0]=4 179 B11R0.114 C=CC(C)SCCC[N+](C)(C)C 62a_100011215867_100016990835 [1,0,0,0,0,0|3,0,0]=4 180 B11R0.114 C=CC(O)COCC[N+](C)(C)C 7a_200020618287_100000730141 [1,0,0,0,0,0|3,0,0]=4 181 B11R0.114 C=CC(O)CSCC[N+](C)(C)C 62a_100000085578_100000730141 [1,0,0,0,0,0|3,0,0]=4 182 B11R0.114 C=CC(O)CSCC[N+](C)(C)C 62a_100000730141_100000085578 [1,0,0,0,0,0|3,0,0]=4 183 B11R0.114 C=C[C@H](N)COCCC(C)(C)C 34a_100016989147_100000755188 [1,0,0,0,0,0|3,0,0]=4 184 B11R0.114 C=C[C@H](N)COCC[N+](C)(C)C 34a_100016989147_100000085578 [1,0,0,0,0,0|2,0,0]=3 185 B11R0.114 C=C[C@H](N)COCC[Si](C)(C)C 34a_100016989147_200000733723 [1,0,0,0,0,0|3,0,0]=4 186 B11R0.114 CC(CO)CNCC[N+](C)(C)C 34a_100000744482_100000085578 [1,0,0,0,0,0|2,0,1]=4 187 B11R0.114 CC(CO)SCCC[N+](C)(C)C 62a_100012180447_100016990835 [1,0,0,0,0,0|2,0,1]=4 188 B11R0.114 C[C@@H](CO)COCC[N+](C)(C)C 7a_200020618287_100000059175 [1,0,0,0,0,0|2,0,1]=4 189 B11R0.114 C[C@@H](CO)CSCC[N+](C)(C)C 62a_100000059175_100000085578 [1,0,0,0,0,0|2,0,1]=4 190 B11R0.114 C[C@@H](CO)CSCC[N+](C)(C)C 62a_100000085578_100000059175 [1,0,0,0,0,0|2,0,1]=4 191 B11R0.114 C[C@H](CO)NCCC[N+](C)(C)C 2230a_100000737577_100016990835 [1,0,0,0,0,0|2,0,1]=4 192 B11R0.114 C[C@H](CO)SCCC[N+](C)(C)C 62a_100016084084_100016990835 [1,0,0,0,0,0|2,0,1]=4 193 B11R0.114 C[C@H](CO)SCCC[N+](C)(C)C 62a_100016990835_100016084084 [1,0,0,0,0,0|2,0,1]=4 194 B11R0.114 C[N+](C)(C)CCNC[C@@H](F)CO 34a_100015665980_100000085578 [1,0,0,0,0,0|2,0,1]=4 195 B11R0.114 C[N+](C)(C)CCOCC(O)CO 7a_200020618287_100011219619 [1,0,0,0,0,0|2,0,1]=4 196 B11R0.114 C[N+](C)(C)CCOC[C@@H](O)CO 7a_200020618287_100009815848 [1,0,0,0,0,0|2,0,1]=4 197 B11R0.114 C[N+](C)(C)CCSCC(O)CO 62a_100000085578_100011219619 [1,0,0,0,0,0|2,0,1]=4 198 B11R0.114 C[N+](C)(C)CCSCC(O)CO 62a_100011219619_100000085578 [1,0,0,0,0,0|2,0,1]=4 199 B11R0.114 C[N+](C)(C)CCSC[C@@H](O)CO 62a_100000085578_100009815848 [1,0,0,0,0,0|2,0,1]=4 200 B11R0.114 C[N+](C)(C)CCSC[C@@H](O)CO 62a_100009815848_100000085578 [1,0,0,0,0,0|2,0,1]=4 201 B13R0.104 C=C(CSCC[N+](C)(C)C)C(=O)OC 62a_100000085578_100009813391 [0,1,0,0,0,0|2,0,1]=4 202 B13R0.104 C=C(CSCC[N+](C)(C)C)C(=O)OC 62a_100009813391_100000085578 [0,1,0,0,0,0|2,0,1]=4 203 B13R0.104 CC(C)(C)CCOCC(N)C(=O)NN 34a_100016989258_100000755188 [0,1,0,0,0,0|3,0,0]=4 204 B13R0.104 CC(OCCC[N+](C)(C)C)C(=O)NN 34a_100000725659_100016990835 [0,1,0,0,0,0|3,0,0]=4 205 B13R0.104 CCC(=O)C(C)SCCC[N+](C)(C)C 62a_100000742827_100016990835 [0,1,0,0,0,0|3,0,0]=4 206 B13R0.104 CCC(=O)C(C)SCCC[N+](C)(C)C 62a_100016990835_100000742827 [0,1,0,0,0,0|3,0,0]=4 207 B13R0.104 CNC(=O)C(C)CNCC[N+](C)(C)C 34a_100015187722_100000085578 [0,1,0,0,0,0|3,0,0]=4 208 B13R0.104 CNC(=O)C(C)SCCC[N+](C)(C)C 62a_100000209862_100016990835 [0,1,0,0,0,0|3,0,0]=4 209 B13R0.104 CNC(=O)C(C)SCCC[N+](C)(C)C 62a_100016990835_100000731044 [0,1,0,0,0,0|3,0,0]=4 210 B13R0.104 CNC(=O)C(F)SCCC[N+](C)(C)C 62a_100009813575_100016990835 [0,1,0,0,0,0|3,0,0]=4 211 B13R0.104 CNC(=O)C(F)SCCC[N+](C)(C)C 62a_100016990835_100009813575 [0,1,0,0,0,0|3,0,0]=4 212 B13R0.104 CNC(=O)[C@@H](C)NCCC[N+](C)(C)C 2230a_100000684985_100016990835 [0,1,0,0,0,0|3,0,0]=4 213 B13R0.104 CNC(=O)[C@@H](C)NCCC[N+](C)(C)C 34a_100000684985_100016990835 [0,1,0,0,0,0|3,0,0]=4 214 B13R0.104 COC(=O)C(=O)CSCC[N+](C)(C)C 62a_100000085578_100011610305 [0,1,0,0,0,0|2,0,1]=4 215 B13R0.104 COC(=O)C(=O)CSCC[N+](C)(C)C 62a_100011610305_100000085578 [0,1,0,0,0,0|2,0,1]=4 216 B13R0.104 COC(=O)C(C)CCNCC(C)(C)C 2230a_100000743828_100000034942 [0,1,0,0,0,0|3,0,0]=4 217 B13R0.104 COC(=O)C(C)CCSCC(C)(C)C 62a_100000034942_100011219605 [0,1,0,0,0,0|3,0,0]=4 218 B13R0.104 COC(=O)C(C)CCSCC(C)(C)C 62a_100011219605_100000034942 [0,1,0,0,0,0|3,0,0]=4 219 B13R0.104 COC(=O)C(C)CCSC[N+](C)(C)C 62a_100000034942_200000036245 [0,1,0,0,0,0|2,0,0]=3 220 B13R0.104 COC(=O)C(C)CCSC[N+](C)(C)C 62a_200000036245_100000034942 [0,1,0,0,0,0|2,0,0]=3 221 B13R0.104 COC(=O)C(C)CCSC[Si](C)(C)C 62a_100000034942_100000037933 [0,1,0,0,0,0|3,0,0]=4 222 B13R0.104 COC(=O)C(C)CCSC[Si](C)(C)C 62a_100000037933_100000034942 [0,1,0,0,0,0|3,0,0]=4 223 B13R0.104 COC(=O)C(C)COCCC(C)(C)C 34a_100000749362_100000755188 [0,1,0,0,0,0|3,0,0]=4 224 B13R0.104 COC(=O)C(C)COCCC(C)(C)C 7a_100000749362_100000755188 [0,1,0,0,0,0|3,0,0]=4 225 B13R0.104 COC(=O)C(C)COCC[N+](C)(C)C 34a_100000749362_100000085578 [0,1,0,0,0,0|2,0,0]=3 226 B13R0.104 COC(=O)C(C)COCC[N+](C)(C)C 7a_100000749362_100000085578 [0,1,0,0,0,0|2,0,0]=3 227 B13R0.104 COC(=O)C(C)COCC[Si](C)(C)C 34a_100000749362_200000733723 [0,1,0,0,0,0|3,0,0]=4 228 B13R0.104 COC(=O)C(C)COCC[Si](C)(C)C 7a_100000749362_200000733723 [0,1,0,0,0,0|3,0,0]=4 229 B13R0.104 COC(=O)C(C)CSCCC(C)(C)C 62a_100000698445_100000755188 [0,1,0,0,0,0|3,0,0]=4 230 B13R0.104 COC(=O)C(C)CSCCC(C)(C)C 62a_100000755188_100000698445 [0,1,0,0,0,0|3,0,0]=4 231 B13R0.104 COC(=O)C(C)CSCC[N+](C)(C)C 62a_100000085578_100000698445 [0,1,0,0,0,0|2,0,0]=3 232 B13R0.104 COC(=O)C(C)CSCC[N+](C)(C)C 62a_100000698445_100000085578 [0,1,0,0,0,0|2,0,0]=3 233 B13R0.104 COC(=O)C(C)CSCC[Si](C)(C)C 62a_100000698445_200000733723 [0,1,0,0,0,0|3,0,0]=4 234 B13R0.104 COC(=O)C(C)CSCC[Si](C)(C)C 62a_200000733723_100000698445 [0,1,0,0,0,0|3,0,0]=4 235 B13R0.104 COC(=O)C(C)OCCC[N+](C)(C)C 34a_100011215400_100016990835 [0,1,0,0,0,0|2,0,0]=3 236 B13R0.104 COC(=O)C(C)OCCC[Si](C)(C)C 34a_100011215400_100011219597 [0,1,0,0,0,0|3,0,0]=4 237 B13R0.104 COC(=O)C(C)OCCC[Si](C)(C)C 7a_200011215415_100000211248 [0,1,0,0,0,0|3,0,0]=4 238 B13R0.104 COC(=O)C(C)SCCC[N+](C)(C)C 62a_100000211248_100016990835 [0,1,0,0,0,0|2,0,0]=3 239 B13R0.104 COC(=O)C(C)SCCC[N+](C)(C)C 62a_100016990835_100000211248 [0,1,0,0,0,0|2,0,0]=3 240 B13R0.104 COC(=O)C(C)SCCC[Si](C)(C)C 62a_100000211248_100011219597 [0,1,0,0,0,0|3,0,0]=4 241 B13R0.104 COC(=O)C(C)SCCC[Si](C)(C)C 62a_100011219597_100000211248 [0,1,0,0,0,0|3,0,0]=4 242 B13R0.104 COC(=O)C(F)COCCC(C)(C)C 34a_200009849844_100000755188 [0,1,0,0,0,0|3,0,0]=4 243 B13R0.104 COC(=O)C(F)COCC[N+](C)(C)C 34a_200009849844_100000085578 [0,1,0,0,0,0|2,0,0]=3 244 B13R0.104 COC(=O)C(F)COCC[Si](C)(C)C 34a_200009849844_200000733723 [0,1,0,0,0,0|3,0,0]=4 245 B13R0.104 COC(=O)[C@H](N)COCCC(C)(C)C 34a_100000003586_100000755188 [0,1,0,0,0,0|2,0,0]=3 246 B13R0.104 COC(=O)[C@H](N)COCCC(C)(C)O 34a_100000003586_100000702414 [0,1,0,0,0,0|3,0,0]=4 247 B13R0.104 COC(=O)[C@H](N)COCC[N+](C)(C)C 34a_100000003586_100000085578 [0,1,0,0,0,0|1,0,0]=2 248 B13R0.104 COC(=O)[C@H](N)COCC[Si](C)(C)C 34a_100000003586_200000733723 [0,1,0,0,0,0|2,0,0]=3 249 B13R0.104 C[N+](C)(C)CCOCC(N)C(=O)NN 34a_100016989258_100000085578 [0,1,0,0,0,0|2,0,0]=3 250 B13R0.104 C[Si](C)(C)CCOCC(N)C(=O)NN 34a_100016989258_200000733723 [0,1,0,0,0,0|3,0,0]=4 251 B13R0.356 CC(=O)C(C)OCC(O)C[N+](C)(C)C 34a_100000212229_100000032816 [0,1,0,0,0,0|3,0,0]=4 252 B13R0.356 CC(=O)C(C)SCC(O)C[N+](C)(C)C 62a_100000032816_100009814033 [0,1,0,0,0,0|3,0,0]=4 253 B13R0.356 CC(=O)C(C)SCC(O)C[N+](C)(C)C 62a_100009814033_100000032816 [0,1,0,0,0,0|3,0,0]=4 254 B13R0.356 CC(SCC(O)C[N+](C)(C)C)C(=O)N 62a_100000032816_100000702099 [0,1,0,0,0,0|3,0,0]=4 255 B13R0.356 CC(SCC(O)C[N+](C)(C)C)C(=O)N 62a_100000702099_100000032816 [0,1,0,0,0,0|3,0,0]=4 256 B13R0.356 C[C@@H](NCC(O)C[N+](C)(C)C)C(=O)N 2230a_100000119354_100000032816 [0,1,0,0,0,0|3,0,0]=4 257 B13R0.356 C[C@@H](NCC(O)C[N+](C)(C)C)C(=O)N 34a_100000119354_100000032816 [0,1,0,0,0,0|3,0,0]=4 258 B13R0.356 C[C@@H](OCC(O)C[N+](C)(C)C)C(=O)N 34a_100000731257_100000032816 [0,1,0,0,0,0|3,0,0]=4 259 B13R0.356 C[C@@H](OCC(O)C[N+](C)(C)C)C(=O)N 7a_100000731257_100000032816 [0,1,0,0,0,0|3,0,0]=4 260 B13R0.356 C[C@H](NCC(O)C[N+](C)(C)C)C(=O)O 269956a_100000743915_100000032816 [0,1,0,0,0,0|2,0,0]=3 261 B13R0.356 C[C@H](OCC(O)C[N+](C)(C)C)C(=O)[O-] 7a_217856618621_100000032816 [0,1,0,0,0,0|2,0,1]=4 262 B13R0.356 C[N+](C)(C)CC(O)CSC(F)C(=O)N 62a_100000032816_100009813875 [0,1,0,0,0,0|3,0,0]=4 263 B13R0.356 C[N+](C)(C)CC(O)CSC(F)C(=O)N 62a_100009813875_100000032816 [0,1,0,0,0,0|3,0,0]=4 264 B13R0.356 C[N+](C)(C)CC(O)CSC(F)C(=O)[O-] 62a_100000032816_100020610796 [0,1,0,0,0,0|2,0,1]=4 265 B13R0.356 C[N+](C)(C)CC(O)CSC(F)C(=O)[O-] 62a_100020610796_100000032816 [0,1,0,0,0,0|2,0,1]=4 266 B13R0.409 CC(=O)C(C)(C)OCCC[N+](C)(C)C 34a_100000747739_100016990835 [0,1,0,0,0,0|3,0,0]=4 267 B13R0.409 CC(=O)C(C)(C)OCCC[N+](C)(C)C 7a_100000747739_100016990835 [0,1,0,0,0,0|3,0,0]=4 268 B13R0.409 CC(=O)C(C)(C)SCCC[N+](C)(C)C 62a_100000075568_100016990835 [0,1,0,0,0,0|3,0,0]=4 269 B13R0.409 CC(=O)C(C)(C)SCCC[N+](C)(C)C 62a_100016990835_100000075568 [0,1,0,0,0,0|3,0,0]=4 270 B13R0.409 CC(C)(C)CCNCC(C)(C)C(=O)O 269956a_100000693527_100000755188 [0,1,0,0,0,0|3,0,0]=4 271 B13R0.409 CC(C)(C)CCNCC(F)(F)C(=O)O 269956a_100000734215_100000755188 [0,1,0,0,0,0|3,0,0]=4 272 B13R0.409 CC(C)(CNCC[N+](C)(C)C)C(=O)N 34a_100000740840_100000085578 [0,1,0,0,0,0|3,0,0]=4 273 B13R0.409 CC(C)(CNCC[N+](C)(C)C)C(=O)O 269956a_100000693527_100000085578 [0,1,0,0,0,0|2,0,0]=3 274 B13R0.409 CC(C)(CNCC[Si](C)(C)C)C(=O)O 269956a_100000693527_200000733723 [0,1,0,0,0,0|3,0,0]=4 275 B13R0.409 CC(C)(CSCC[N+](C)(C)C)C(=O)N 62a_100000085578_200009895572 [0,1,0,0,0,0|3,0,0]=4 276 B13R0.409 CC(C)(CSCC[N+](C)(C)C)C(=O)N 62a_200009895572_100000085578 [0,1,0,0,0,0|3,0,0]=4 277 B13R0.409 CC(C)(NCCC[N+](C)(C)C)C(=O)N 2230a_100000743658_100016990835 [0,1,0,0,0,0|3,0,0]=4 278 B13R0.409 CC(C)(NCCC[N+](C)(C)C)C(=O)N 34a_100000743658_100016990835 [0,1,0,0,0,0|3,0,0]=4 279 B13R0.409 CC(C)(OCCC[N+](C)(C)C)C(=O)N 34a_100011626353_100016990835 [0,1,0,0,0,0|3,0,0]=4 280 B13R0.409 CC(C)(OCCC[N+](C)(C)C)C(=O)N 7a_100011626353_100016990835 [0,1,0,0,0,0|3,0,0]=4 281 B13R0.409 CC(C)(ONCC[N+](C)(C)C)C(=O)O 269956a_100016989451_100000085578 [0,1,0,0,0,0|3,0,0]=4 282 B13R0.409 CC(C)(SCCC[N+](C)(C)C)C(=O)N 62a_100000702505_100016990835 [0,1,0,0,0,0|3,0,0]=4 283 B13R0.409 CC(C)(SCCC[N+](C)(C)C)C(=O)N 62a_100016990835_100000702505 [0,1,0,0,0,0|3,0,0]=4 284 B13R0.409 C[N+](C)(C)CCCSC(F)(F)C(=O)N 62a_100009811971_100016990835 [0,1,0,0,0,0|3,0,0]=4 285 B13R0.409 C[N+](C)(C)CCCSC(F)(F)C(=O)N 62a_100016990835_100009811971 [0,1,0,0,0,0|3,0,0]=4 286 B13R0.409 C[N+](C)(C)CCCSC(F)(F)C(=O)[O-] 62a_100000745680_100016990835 [0,1,0,0,0,0|2,0,1]=4 287 B13R0.409 C[N+](C)(C)CCCSC(F)(F)C(=O)[O-] 62a_100016990835_100000745680 [0,1,0,0,0,0|2,0,1]=4 288 B13R0.409 C[N+](C)(C)CCNCC(F)(F)C(=O)O 269956a_100000734215_100000085578 [0,1,0,0,0,0|2,0,0]=3 289 B13R0.409 C[Si](C)(C)CCNCC(F)(F)C(=O)O 269956a_100000734215_200000733723 [0,1,0,0,0,0|3,0,0]=4 290 B13R0.1235 CC(=O)C(C)C(=O)CCC[N+](C)(C)C 1458a_100000085584_100000179758 [0,1,0,0,0,0|2,0,1]=4 291 B13R0.1235 CC(C(=O)N)C(=O)CCC[N+](C)(C)C 1458a_100000085584_100000702099 [0,1,0,0,0,0|2,0,1]=4 292 B13R0.1235 CC(C(=O)O)N(C)CCC[N+](C)(C)C 269956a_100000749554_100016990835 [0,1,0,0,0,0|2,0,0]=3 293 B13R0.1235 CC(C(=O)O)N(C)CCC[Si](C)(C)C 269956a_100000749554_100011219597 [0,1,0,0,0,0|3,0,0]=4 294 B13R0.1235 C[C@@H](OCCC(C)(C)C)[C@H](N)C(=O)N 34a_100000003557_100000755188 [0,1,0,0,0,0|3,0,0]=4 295 B13R0.1235 C[C@@H](OCC[N+](C)(C)C)[C@H](N)C(=O)N 34a_100000003557_100000085578 [0,1,0,0,0,0|2,0,0]=3 296 B13R0.1235 C[C@@H](OCC[Si](C)(C)C)[C@H](N)C(=O)N 34a_100000003557_200000733723 [0,1,0,0,0,0|3,0,0]=4 297 B13R0.1235 C[N+](C)(C)CCCC(=O)C(F)C(=O)N 1458a_100000085584_100009813875 [0,1,0,0,0,0|2,0,1]=4 298 B13R0.1235 C[N+](C)(C)CCCC(=O)C(F)C(=O)[O-] 1458a_100000085584_100020610796 [0,1,0,0,0,0|1,0,2]=4 299 B13R0.1296 C=C[C@H](NCCC[N+](C)(C)C)C(=O)O 269956a_100016992060_100016990835 [0,1,0,0,0,0|2,0,0]=3 300 B13R0.1296 C=C[C@H](NCCC[Si](C)(C)C)C(=O)O 269956a_100016992060_100011219597 [0,1,0,0,0,0|3,0,0]=4 301 B13R0.1296 CCC(NCCC[N+](C)(C)C)C(=O)N 2230a_100000733705_100016990835 [0,1,0,0,0,0|3,0,0]=4 302 B13R0.1296 CCC(NCCC[N+](C)(C)C)C(=O)N 34a_100000733705_100016990835 [0,1,0,0,0,0|3,0,0]=4 303 B13R0.1296 CCC(SCCC[N+](C)(C)C)C(=O)N 62a_100000750255_100016990835 [0,1,0,0,0,0|3,0,0]=4 304 B13R0.1296 CCC(SCCC[N+](C)(C)C)C(=O)N 62a_100016990835_100000750255 [0,1,0,0,0,0|3,0,0]=4 305 B13R0.1296 CC[C@@H](NCCC[N+](C)(C)C)C(=O)O 269956a_100000747097_100016990835 [0,1,0,0,0,0|2,0,0]=3 306 B13R0.1296 CC[C@@H](NCCC[Si](C)(C)C)C(=O)O 269956a_100000747097_100011219597 [0,1,0,0,0,0|3,0,0]=4 307 B13R0.1296 C[N+](C)(C)CCCNC(C#N)C(=O)N 2230a_100000039599_100016990835 [0,1,0,0,0,0|2,0,1]=4 308 B13R0.1296 C[N+](C)(C)CCCNC(CO)C(=O)O 269956a_100000187304_100016990835 [0,1,0,0,0,0|2,0,0]=3 309 B13R0.1296 C[N+](C)(C)CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100016990835 [0,1,0,0,0,0|3,0,0]=4 310 B13R0.1296 C[N+](C)(C)CCCN[C@@H](CO)C(=O)N 34a_100000729942_100016990835 [0,1,0,0,0,0|3,0,0]=4 311 B13R0.1296 C[Si](C)(C)CCCNC(CO)C(=O)O 269956a_100000187304_100011219597 [0,1,0,0,0,0|3,0,0]=4 312 B13R1.204 C[N+](C)(C)CCCSC1CCC1=O 62a_100009892977_100016990835 [0,0,0,1,0,0|3,0,0]=4 313 B13R1.204 C[N+](C)(C)CCCSC1CCC1=O 62a_100016990835_100009892977 [0,0,0,1,0,0|3,0,0]=4 314 B13R1.204 C[N+](C)(C)CSCCC1CCC1=O 62a_200000036245_200016118888 [0,0,0,1,0,0|3,0,0]=4 315 B13R1.204 C[N+](C)(C)CSCCC1CCC1=O 62a_200016118888_200000036245 [0,0,0,1,0,0|3,0,0]=4 316 B13R1.336 CC(C)(C)N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000211941 [0,0,0,1,0,0|3,0,0]=4 317 B13R1.336 C[N+](C)(C)CN1CCC(C1)C(=O)N 269982a_100000752358_200000036245 [0,0,0,1,0,0|3,0,0]=4 318 B13R1.1093 CC(C)(C)N1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000211941 [0,0,0,1,0,0|3,0,0]=4 319 B13R1.8662 CC(C)(C)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011219605 [0,0,0,1,0,0|3,0,0]=4 320 B13R1.8662 C[N+](C)(C)CCN1CC(C1)C(=O)N 34a_100025753142_100000085578 [0,0,0,1,0,0|3,0,0]=4 321 B13R1.8662 C[N+](C)(C)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000036245 [0,0,0,1,0,0|2,0,0]=3 322 B13R1.8662 C[Si](C)(C)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000037933 [0,0,0,1,0,0|3,0,0]=4 323 B11R0.318 CC(=O)C(C)OCC[N+](C)(C)C 34a_100000212229_100000085578 [0,0,0,0,1,0|3,0,0]=4 324 B11R0.318 CC(=O)C(C)OCC[N+](C)(C)C 7a_200020618287_100000179758 [0,0,0,0,1,0|3,0,0]=4 325 B11R0.318 CC(=O)C(C)SCC[N+](C)(C)C 62a_100000085578_100009814033 [0,0,0,0,1,0|3,0,0]=4 326 B11R0.318 CC(=O)C(C)SCC[N+](C)(C)C 62a_100009814033_100000085578 [0,0,0,0,1,0|3,0,0]=4 327 B11R0.318 CC(C)(C)CNCC(F)C(=O)O 269956a_100000084737_100011219605 [0,0,0,0,1,0|3,0,0]=4 328 B11R0.318 CC(C)(C)COC[C@H](N)C(=O)N 34a_100000729942_100011219605 [0,0,0,0,1,0|3,0,0]=4 329 B11R0.318 CC(CNCC(C)(C)C)C(=O)O 269956a_100000749485_100011219605 [0,0,0,0,1,0|3,0,0]=4 330 B11R0.318 CC(CNC[N+](C)(C)C)C(=O)O 269956a_100000749485_200000036245 [0,0,0,0,1,0|2,0,0]=3 331 B11R0.318 CC(CNC[Si](C)(C)C)C(=O)O 269956a_100000749485_100000037933 [0,0,0,0,1,0|3,0,0]=4 332 B11R0.318 CC(OCC[N+](C)(C)C)C(=O)N 7a_200020618287_100000702099 [0,0,0,0,1,0|3,0,0]=4 333 B11R0.318 CC(SCC[N+](C)(C)C)C(=O)N 62a_100000085578_100000702099 [0,0,0,0,1,0|3,0,0]=4 334 B11R0.318 CC(SCC[N+](C)(C)C)C(=O)N 62a_100000702099_100000085578 [0,0,0,0,1,0|3,0,0]=4 335 B11R0.318 C[C@@H](NCC[N+](C)(C)C)C(=O)N 34a_100000119354_100000085578 [0,0,0,0,1,0|3,0,0]=4 336 B11R0.318 C[C@@H](OCC[N+](C)(C)C)C(=O)N 34a_100000731257_100000085578 [0,0,0,0,1,0|3,0,0]=4 337 B11R0.318 C[C@@H](OCC[N+](C)(C)C)C(=O)N 7a_100000731257_100000085578 [0,0,0,0,1,0|3,0,0]=4 338 B11R0.318 C[C@H](NCCC(C)(C)C)C(=O)O 269956a_100000743915_100000755188 [0,0,0,0,1,0|3,0,0]=4 339 B11R0.318 C[C@H](NCC[N+](C)(C)C)C(=O)O 269956a_100000743915_100000085578 [0,0,0,0,1,0|2,0,0]=3 340 B11R0.318 C[C@H](NCC[Si](C)(C)C)C(=O)O 269956a_100000743915_200000733723 [0,0,0,0,1,0|3,0,0]=4 341 B11R0.318 C[C@H](OCC[N+](C)(C)C)C(=O)[O-] 7a_217856618621_100000085578 [0,0,0,0,1,0|2,0,1]=4 342 B11R0.318 C[N+](C)(C)CCOC(F)C(=O)N 7a_200020618287_100009813875 [0,0,0,0,1,0|3,0,0]=4 343 B11R0.318 C[N+](C)(C)CCSC(F)C(=O)N 62a_100000085578_100009813875 [0,0,0,0,1,0|3,0,0]=4 344 B11R0.318 C[N+](C)(C)CCSC(F)C(=O)N 62a_100009813875_100000085578 [0,0,0,0,1,0|3,0,0]=4 345 B11R0.318 C[N+](C)(C)CCSC(F)C(=O)[O-] 62a_100000085578_100020610796 [0,0,0,0,1,0|2,0,1]=4 346 B11R0.318 C[N+](C)(C)CCSC(F)C(=O)[O-] 62a_100020610796_100000085578 [0,0,0,0,1,0|2,0,1]=4 347 B11R0.318 C[N+](C)(C)CNCC(F)C(=O)O 269956a_100000084737_200000036245 [0,0,0,0,1,0|2,0,0]=3 348 B11R0.318 C[Si](C)(C)CNCC(F)C(=O)O 269956a_100000084737_100000037933 [0,0,0,0,1,0|3,0,0]=4 349 B13R0.79 CC(=O)OC(C)SCCC[N+](C)(C)C 62a_100009818208_100016990835 [0,0,0,0,0,1|3,0,0]=4 350 B13R0.79 CC(=O)OC(C)SCCC[N+](C)(C)C 62a_100016990835_100009818208 [0,0,0,0,0,1|3,0,0]=4 351 B13R0.79 CC(C)(C)CCNCC(O)CC(=O)O 269956a_100011218706_100000755188 [0,0,0,0,0,1|3,0,0]=4 352 B13R0.79 C[N+](C)(C)CCNCC(O)CC(=O)O 269956a_100011218706_100000085578 [0,0,0,0,0,1|2,0,0]=3 353 B13R0.79 C[Si](C)(C)CCNCC(O)CC(=O)O 269956a_100011218706_200000733723 [0,0,0,0,0,1|3,0,0]=4 354 B13R0.354 CC(=O)C(=O)CSCCC[N+](C)(C)C 62a_100011261029_100016990835 [0,0,0,0,0,1|2,0,1]=4 355 B13R0.354 CC(=O)C(=O)CSCCC[N+](C)(C)C 62a_100016990835_100011261029 [0,0,0,0,0,1|2,0,1]=4 356 B13R0.354 CC(=O)C(C)COCCC[N+](C)(C)C 34a_100000032740_100016990835 [0,0,0,0,0,1|2,0,0]=3 357 B13R0.354 CC(=O)C(C)COCCC[N+](C)(C)C 7a_100000032740_100016990835 [0,0,0,0,0,1|2,0,0]=3 358 B13R0.354 CC(=O)C(C)COCCC[Si](C)(C)C 34a_100000032740_100011219597 [0,0,0,0,0,1|3,0,0]=4 359 B13R0.354 CC(=O)C(C)COCCC[Si](C)(C)C 7a_100000032740_100011219597 [0,0,0,0,0,1|3,0,0]=4 360 B13R0.354 CC(=O)C(C)OCCCC[Si](C)(C)C 7a_200009881916_100000179758 [0,0,0,0,0,1|3,0,0]=4 361 B13R0.354 CC(C)(O)CCCNCC(F)C(=O)O 269956a_100000084737_100009888830 [0,0,0,0,0,1|3,0,0]=4 362 B13R0.354 CC(C)(O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100009888830 [0,0,0,0,0,1|3,0,0]=4 363 B13R0.354 CC(C)C(N)CCOCC[N+](C)(C)C 34a_100161115045_100000085578 [0,0,0,0,0,1|2,0,1]=4 364 B13R0.354 CC(C)[C@@H](N)COCCC[N+](C)(C)C 34a_100011830312_100016990835 [0,0,0,0,0,1|2,0,1]=4 365 B13R0.354 CC(CNCCCC(C)(C)O)C(=O)O 269956a_100000749485_100009888830 [0,0,0,0,0,1|3,0,0]=4 366 B13R0.354 CC(CNCCC[N+](C)(C)C)C(=O)O 269956a_100000749485_100016990835 [0,0,0,0,0,1|1,0,0]=2 367 B13R0.354 CC(CNCCC[Si](C)(C)C)C(=O)O 269956a_100000749485_100011219597 [0,0,0,0,0,1|2,0,0]=3 368 B13R0.354 CC(CNCCO[Si](C)(C)C)C(=O)O 269956a_100000749485_200000032530 [0,0,0,0,0,1|3,0,0]=4 369 B13R0.354 CC(COCCC[N+](C)(C)C)[N+](=O)[O-] 34a_100000039676_100016990835 [0,0,0,0,0,1|2,0,1]=4 370 B13R0.354 CC(COCCC[N+](C)(C)C)[N+](=O)[O-] 7a_100000039676_100016990835 [0,0,0,0,0,1|2,0,1]=4 371 B13R0.354 CC(OCCCC[Si](C)(C)C)C(=O)N 7a_200009881916_100000702099 [0,0,0,0,0,1|3,0,0]=4 372 B13R0.354 C[C@H](NCOCC[Si](C)(C)C)C(=O)O 269956a_100000743915_100000032501 [0,0,0,0,0,1|3,0,0]=4 373 B13R0.354 C[N+](C)(C)CCCNCC(F)C(=O)O 269956a_100000084737_100016990835 [0,0,0,0,0,1|1,0,0]=2 374 B13R0.354 C[N+](C)(C)CCCOC[C@H](N)C(=O)N 34a_100000729942_100016990835 [0,0,0,0,0,1|1,0,0]=2 375 B13R0.354 C[Si](C)(C)CCCCOC(F)C(=O)N 7a_200009881916_100009813875 [0,0,0,0,0,1|3,0,0]=4 376 B13R0.354 C[Si](C)(C)CCCNCC(F)C(=O)O 269956a_100000084737_100011219597 [0,0,0,0,0,1|2,0,0]=3 377 B13R0.354 C[Si](C)(C)CCCOC[C@H](N)C(=O)N 34a_100000729942_100011219597 [0,0,0,0,0,1|2,0,0]=3 378 B13R0.354 C[Si](C)(C)OCCNCC(F)C(=O)O 269956a_100000084737_200000032530 [0,0,0,0,0,1|3,0,0]=4 379 B13R0.354 C[Si](C)(C)OCCOC[C@H](N)C(=O)N 34a_100000729942_200000032530 [0,0,0,0,0,1|3,0,0]=4 380 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [2,0,0,0,0,0|2,0,0]=4 381 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [2,0,0,0,0,0|2,0,0]=4 382 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [2,0,0,0,0,0|2,0,0]=4 383 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [2,0,0,0,0,0|2,0,0]=4 384 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [2,0,0,0,0,0|1,0,1]=4 385 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [2,0,0,0,0,0|1,0,1]=4 386 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [2,0,0,0,0,0|1,0,1]=4 387 B10R0.22 C=CCCCSC[N+](C)(C)C 62a_100011713584_200000036245 [2,0,0,0,0,0|2,0,0]=4 388 B10R0.22 C=CCCCSC[N+](C)(C)C 62a_200000036245_100000757094 [2,0,0,0,0,0|2,0,0]=4 389 B10R0.22 C=CCCOCC[N+](C)(C)C 34a_100011205117_100000085578 [2,0,0,0,0,0|2,0,0]=4 390 B10R0.22 C=CCCOCC[N+](C)(C)C 7a_200020618287_100000754431 [2,0,0,0,0,0|2,0,0]=4 391 B10R0.22 C=CCCSCC[N+](C)(C)C 62a_100000085578_100000754431 [2,0,0,0,0,0|2,0,0]=4 392 B10R0.22 C=CCCSCC[N+](C)(C)C 62a_100000754431_100000085578 [2,0,0,0,0,0|2,0,0]=4 393 B10R0.22 C=CCNCCC[N+](C)(C)C 2230a_100020586998_100016990835 [2,0,0,0,0,0|2,0,0]=4 394 B10R0.22 C=CCOCCC[N+](C)(C)C 34a_200000210373_100016990835 [2,0,0,0,0,0|2,0,0]=4 395 B10R0.22 C=CCSCCC[N+](C)(C)C 62a_100000210623_100016990835 [2,0,0,0,0,0|2,0,0]=4 396 B10R0.22 C=CCSCCC[N+](C)(C)C 62a_100016990835_100000210623 [2,0,0,0,0,0|2,0,0]=4 397 B10R0.22 CC(C)(C)CNCCCC=O 2230a_100000743828_200011292268 [2,0,0,0,0,0|2,0,0]=4 398 B10R0.22 CC(C)(C)CSCCCC=O 62a_100011219605_200011292268 [2,0,0,0,0,0|2,0,0]=4 399 B10R0.22 CC(C)(C)CSCCCC=O 62a_200011292268_100011219605 [2,0,0,0,0,0|2,0,0]=4 400 B10R0.22 CC(C)(C)NCCCCC=O 2230a_100000715429_100000139335 [2,0,0,0,0,0|2,0,0]=4 401 B10R0.22 CC(C)(C)OCCCCC=O 7a_100015890283_100000139335 [2,0,0,0,0,0|2,0,0]=4 402 B10R0.22 CC(C)(C)SCCCCC=O 62a_100000139335_100000211941 [2,0,0,0,0,0|2,0,0]=4 403 B10R0.22 CC(C)(C)SCCCCC=O 62a_100000211941_100000139335 [2,0,0,0,0,0|2,0,0]=4 404 B10R0.22 CNCCCCC[N+](C)(C)C 2230a_106832991635_100009813293 [2,0,0,0,0,0|2,0,0]=4 405 B10R0.22 CNCCCCC[N+](C)(C)C 34a_100102657272_100009813293 [2,0,0,0,0,0|2,0,0]=4 406 B10R0.22 CNCCCCC[N+](C)(C)C 7a_106832991635_100009813293 [2,0,0,0,0,0|2,0,0]=4 407 B10R0.22 COCCCCC[N+](C)(C)C 34a_100138415774_100009813293 [2,0,0,0,0,0|2,0,0]=4 408 B10R0.22 CSCCCCC[N+](C)(C)C 62a_100009813293_200000210301 [2,0,0,0,0,0|2,0,0]=4 409 B10R0.22 CSCCCCC[N+](C)(C)C 62a_200000210301_100009813293 [2,0,0,0,0,0|2,0,0]=4 410 B10R0.22 C[N+](C)(C)CCCCCS[13CH3] 62a_100009813293_200025704644 [2,0,0,0,0,0|2,0,0]=4 411 B10R0.22 C[N+](C)(C)CCCCCS[13CH3] 62a_200025704644_100009813293 [2,0,0,0,0,0|2,0,0]=4 412 B10R0.22 C[N+](C)(C)CCCNCCO 2230a_100016997473_100016990835 [2,0,0,0,0,0|1,0,1]=4 413 B10R0.22 C[N+](C)(C)CCCNCCO 34a_100016990907_100016990835 [2,0,0,0,0,0|1,0,1]=4 414 B10R0.22 C[N+](C)(C)CCCSCC=O 62a_100016990835_200015260668 [2,0,0,0,0,0|1,0,0]=3 415 B10R0.22 C[N+](C)(C)CCCSCC=O 62a_200015260668_100016990835 [2,0,0,0,0,0|1,0,0]=3 416 B10R0.22 C[N+](C)(C)CCCSCCO 62a_100000211926_100016990835 [2,0,0,0,0,0|1,0,1]=4 417 B10R0.22 C[N+](C)(C)CCCSCCO 62a_100016990835_100000211926 [2,0,0,0,0,0|1,0,1]=4 418 B10R0.22 C[N+](C)(C)CCOCCCO 7a_200020618287_100011215043 [2,0,0,0,0,0|1,0,1]=4 419 B10R0.22 C[N+](C)(C)CCSCCCO 62a_100000085578_100011215043 [2,0,0,0,0,0|1,0,1]=4 420 B10R0.22 C[N+](C)(C)CCSCCCO 62a_100011215043_100000085578 [2,0,0,0,0,0|1,0,1]=4 421 B10R0.22 C[N+](C)(C)CSCCCC=O 62a_200000036245_200011292268 [2,0,0,0,0,0|1,0,0]=3 422 B10R0.22 C[N+](C)(C)CSCCCC=O 62a_200011292268_200000036245 [2,0,0,0,0,0|1,0,0]=3 423 B10R0.22 C[N+](C)(C)CSCCCCO 62a_100000210776_200000036245 [2,0,0,0,0,0|1,0,1]=4 424 B10R0.22 C[N+](C)(C)CSCCCCO 62a_200000036245_100000210776 [2,0,0,0,0,0|1,0,1]=4 425 B10R0.22 C[Si](C)(C)CCCOCC=O 7a_200011215415_200015260668 [2,0,0,0,0,0|2,0,0]=4 426 B10R0.22 C[Si](C)(C)CCCSCC=O 62a_100011219597_200015260668 [2,0,0,0,0,0|2,0,0]=4 427 B10R0.22 C[Si](C)(C)CCCSCC=O 62a_200015260668_100011219597 [2,0,0,0,0,0|2,0,0]=4 428 B10R0.22 C[Si](C)(C)CSCCCC=O 62a_100000037933_200011292268 [2,0,0,0,0,0|2,0,0]=4 429 B10R0.22 C[Si](C)(C)CSCCCC=O 62a_200011292268_100000037933 [2,0,0,0,0,0|2,0,0]=4 430 B10R0.15 CC(O)CCSC[N+](C)(C)C 62a_100012276601_200000036245 [2,0,0,0,0,0|2,0,0]=4 431 B10R0.15 CC(O)CCSC[N+](C)(C)C 62a_200000036245_100012276601 [2,0,0,0,0,0|2,0,0]=4 432 B10R0.15 CC(O)CNCC[N+](C)(C)C 34a_100000210904_100000085578 [2,0,0,0,0,0|2,0,0]=4 433 B10R0.15 CC(O)COCC[N+](C)(C)C 7a_200020618287_100011218427 [2,0,0,0,0,0|2,0,0]=4 434 B10R0.15 CC(O)CSCC[N+](C)(C)C 62a_100000085578_100011218427 [2,0,0,0,0,0|2,0,0]=4 435 B10R0.15 CC(O)CSCC[N+](C)(C)C 62a_100011218427_100000085578 [2,0,0,0,0,0|2,0,0]=4 436 B10R0.15 C[C@@H](N)COCC[N+](C)(C)C 34a_100000737577_100000085578 [2,0,0,0,0,0|1,0,1]=4 437 B10R0.15 C[C@@H](O)COCC[N+](C)(C)C 7a_200020618287_100009817552 [2,0,0,0,0,0|2,0,0]=4 438 B10R0.15 C[C@@H](O)CSCC[N+](C)(C)C 62a_100000085578_100009817552 [2,0,0,0,0,0|2,0,0]=4 439 B10R0.15 C[C@@H](O)CSCC[N+](C)(C)C 62a_100009817552_100000085578 [2,0,0,0,0,0|2,0,0]=4 440 B10R0.15 C[N+](C)(C)CCOCC(=O)N 7a_200020618287_100000187820 [2,0,0,0,0,0|1,0,1]=4 441 B10R0.15 C[N+](C)(C)CCSCC(=O)N 62a_100000085578_100000747473 [2,0,0,0,0,0|1,0,1]=4 442 B10R0.15 C[N+](C)(C)CCSCC(=O)N 62a_100000747473_100000085578 [2,0,0,0,0,0|1,0,1]=4 443 B10R0.15 C[N+](C)(C)CSCCC(=O)N 62a_100000744528_200000036245 [2,0,0,0,0,0|1,0,1]=4 444 B10R0.15 C[N+](C)(C)CSCCC(=O)N 62a_200000036245_100000744528 [2,0,0,0,0,0|1,0,1]=4 445 B12R0.86 COC(=O)[C@H](N)COCCC(C)C 34a_100000003586_100000210312 [1,1,0,0,0,0|2,0,0]=4 446 B12R0.238 CN(C)CCCC[C@H](N[13CH3])C(=O)O 269956a_200015235947_200025704644 [1,1,0,0,0,0|0,0,1]=3 447 B12R0.238 CN[C@@H](CCCCN(C)C)C(=O)O 269956a_200015235947_200000210301 [1,1,0,0,0,0|0,0,1]=3 448 B12R0.66 CC(C)(C)CNCC(O)CC(=O)O 269956a_100011218706_100011219605 [1,1,0,0,0,0|2,0,0]=4 449 B12R0.66 CN(CCC[N+](C)(C)C)CC(=O)N 2230a_100000739694_100016990835 [1,1,0,0,0,0|2,0,0]=4 450 B12R0.66 CN(CCC[N+](C)(C)C)CC(=O)O 269956a_100000746989_100016990835 [1,1,0,0,0,0|1,0,0]=3 451 B12R0.66 CN(CCC[Si](C)(C)C)CC(=O)O 269956a_100000746989_100011219597 [1,1,0,0,0,0|2,0,0]=4 452 B12R0.66 C[N+](C)(C)CCCC(=O)CC(=O)N 1458a_100000085584_100000187820 [1,1,0,0,0,0|1,0,1]=4 453 B12R0.66 C[N+](C)(C)CCCC(=O)CC(=O)N 1458a_100134613110_100016990835 [1,1,0,0,0,0|1,0,1]=4 454 B12R0.66 C[N+](C)(C)CCCC(=O)CC(=O)[O-] 1458a_100000085584_100020667443 [1,1,0,0,0,0|0,0,2]=4 455 B12R0.66 C[N+](C)(C)CNCC(O)CC(=O)O 269956a_100011218706_200000036245 [1,1,0,0,0,0|1,0,0]=3 456 B12R0.66 C[Si](C)(C)CNCC(O)CC(=O)O 269956a_100011218706_100000037933 [1,1,0,0,0,0|2,0,0]=4 457 B12R0.140 CC(=O)CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100011215641 [1,1,0,0,0,0|1,0,1]=4 458 B12R0.140 CC(=O)COCC(O)C[N+](C)(C)C 34a_100000211253_100000032816 [1,1,0,0,0,0|2,0,0]=4 459 B12R0.140 CN(CCCC(=O)O)CC(C)(C)C 269956a_100000719178_100011219605 [1,1,0,0,0,0|2,0,0]=4 460 B12R0.140 CN(CCCC(=O)O)C[N+](C)(C)C 269956a_100000719178_200000036245 [1,1,0,0,0,0|1,0,0]=3 461 B12R0.140 CN(CCCC(=O)O)C[Si](C)(C)C 269956a_100000719178_100000037933 [1,1,0,0,0,0|2,0,0]=4 462 B12R0.140 C[N+](C)(C)CC(=O)CCCC(=O)N 1458a_100000033712_100102525003 [1,1,0,0,0,0|1,0,1]=4 463 B12R0.140 C[N+](C)(C)CC(O)CNCC(=O)N 2230a_100000711301_100000032816 [1,1,0,0,0,0|2,0,0]=4 464 B12R0.140 C[N+](C)(C)CC(O)CNCC(=O)O 269956a_100016091260_100000032816 [1,1,0,0,0,0|1,0,0]=3 465 B12R0.140 C[N+](C)(C)CC(O)CSCC(=O)N 62a_100000032816_100000747473 [1,1,0,0,0,0|2,0,0]=4 466 B12R0.140 C[N+](C)(C)CC(O)CSCC(=O)N 62a_100000747473_100000032816 [1,1,0,0,0,0|2,0,0]=4 467 B12R0.140 C[N+](C)(C)CC(O)CSCC(=O)[O-] 62a_100000032816_100020667443 [1,1,0,0,0,0|1,0,1]=4 468 B12R0.140 C[N+](C)(C)CC(O)CSCC(=O)[O-] 62a_100020667443_100000032816 [1,1,0,0,0,0|1,0,1]=4 469 B12R0.150 C#CC(=O)CCCCC[N+](C)(C)C 1458a_100000211873_100009813293 [1,1,0,0,0,0|1,0,0]=3 470 B12R0.150 C=CC(=O)CCCCC[N+](C)(C)C 1458a_100000185746_100009813293 [1,1,0,0,0,0|1,0,0]=3 471 B12R0.150 CC(C)(C)CCCCCC(=O)CF 1458a_100012017116_100015361967 [1,1,0,0,0,0|2,0,0]=4 472 B12R0.150 CCC(=O)CCCCCC(C)(C)C 1458a_100012017116_100000210202 [1,1,0,0,0,0|2,0,0]=4 473 B12R0.150 CCC(=O)CCCCC[N+](C)(C)C 1458a_100000210414_100009813293 [1,1,0,0,0,0|1,0,0]=3 474 B12R0.150 CCC(=O)COCCC[N+](C)(C)C 34a_100000725409_100016990835 [1,1,0,0,0,0|2,0,0]=4 475 B12R0.150 CCC(=O)CSCCC[N+](C)(C)C 62a_100000747405_100016990835 [1,1,0,0,0,0|2,0,0]=4 476 B12R0.150 CCC(=O)CSCCC[N+](C)(C)C 62a_100016990835_100000747405 [1,1,0,0,0,0|2,0,0]=4 477 B12R0.150 CNC(=O)CCCCCC(C)(C)C 11a_106832991635_100012017116 [1,1,0,0,0,0|2,0,0]=4 478 B12R0.150 CNC(=O)CCCCCC(C)(C)C 1626a_100102657272_100012017116 [1,1,0,0,0,0|2,0,0]=4 479 B12R0.150 CNC(=O)CCCCCC(C)(C)C 240690a_100102657272_100012017116 [1,1,0,0,0,0|2,0,0]=4 480 B12R0.150 CNC(=O)CCCCCC(C)(C)C 527a_100102657272_100012017116 [1,1,0,0,0,0|2,0,0]=4 481 B12R0.150 CNC(=O)CCCSC[N+](C)(C)C 62a_100000741757_200000036245 [1,1,0,0,0,0|2,0,0]=4 482 B12R0.150 CNC(=O)CCCSC[N+](C)(C)C 62a_200000036245_100000741757 [1,1,0,0,0,0|2,0,0]=4 483 B12R0.150 CNC(=O)CCNCC[N+](C)(C)C 34a_100000738227_100000085578 [1,1,0,0,0,0|2,0,0]=4 484 B12R0.150 CNC(=O)CCOCC[N+](C)(C)C 34a_100000754576_100000085578 [1,1,0,0,0,0|2,0,0]=4 485 B12R0.150 CNC(=O)CCOCC[N+](C)(C)C 7a_200020618287_100000737683 [1,1,0,0,0,0|2,0,0]=4 486 B12R0.150 CNC(=O)CCSCC[N+](C)(C)C 62a_100000085578_100000737683 [1,1,0,0,0,0|2,0,0]=4 487 B12R0.150 CNC(=O)CCSCC[N+](C)(C)C 62a_100000737683_100000085578 [1,1,0,0,0,0|2,0,0]=4 488 B12R0.150 CNC(=O)CNCCC[N+](C)(C)C 2230a_100000693194_100016990835 [1,1,0,0,0,0|2,0,0]=4 489 B12R0.150 CNC(=O)COCCC[N+](C)(C)C 34a_100000750040_100016990835 [1,1,0,0,0,0|2,0,0]=4 490 B12R0.150 CNC(=O)CSCCC[N+](C)(C)C 62a_100000183359_100016990835 [1,1,0,0,0,0|2,0,0]=4 491 B12R0.150 CNC(=O)CSCCC[N+](C)(C)C 62a_100016990835_100000183359 [1,1,0,0,0,0|2,0,0]=4 492 B12R0.150 COC(=O)CCCCNC(C)(C)C 2230a_100000715429_100000204269 [1,1,0,0,0,0|2,0,0]=4 493 B12R0.150 COC(=O)CCCCOC(C)(C)C 34a_100000059025_100000210625 [1,1,0,0,0,0|2,0,0]=4 494 B12R0.150 COC(=O)CCCCOC(C)(C)C 34a_100015890283_100000204269 [1,1,0,0,0,0|2,0,0]=4 495 B12R0.150 COC(=O)CCCCOC(C)(C)C 7a_100015890283_100000204269 [1,1,0,0,0,0|2,0,0]=4 496 B12R0.150 COC(=O)CCCCSC(C)(C)C 62a_100000204269_100000211941 [1,1,0,0,0,0|2,0,0]=4 497 B12R0.150 COC(=O)CCCCSC(C)(C)C 62a_100000211941_100000204269 [1,1,0,0,0,0|2,0,0]=4 498 B12R0.150 COC(=O)CCCNCC(C)(C)C 2230a_100000743828_100011218270 [1,1,0,0,0,0|2,0,0]=4 499 B12R0.150 COC(=O)CCCSCC(C)(C)C 62a_100011218270_100011219605 [1,1,0,0,0,0|2,0,0]=4 500 B12R0.150 COC(=O)CCCSCC(C)(C)C 62a_100011219605_100011218270 [1,1,0,0,0,0|2,0,0]=4 501 B12R0.150 COC(=O)CCCSC[N+](C)(C)C 62a_100011218270_200000036245 [1,1,0,0,0,0|1,0,0]=3 502 B12R0.150 COC(=O)CCCSC[N+](C)(C)C 62a_200000036245_100011218270 [1,1,0,0,0,0|1,0,0]=3 503 B12R0.150 COC(=O)CCCSC[Si](C)(C)C 62a_100000037933_100011218270 [1,1,0,0,0,0|2,0,0]=4 504 B12R0.150 COC(=O)CCCSC[Si](C)(C)C 62a_100011218270_100000037933 [1,1,0,0,0,0|2,0,0]=4 505 B12R0.150 COC(=O)CCNCCC(C)(C)C 2230a_100000738805_100000204255 [1,1,0,0,0,0|2,0,0]=4 506 B12R0.150 COC(=O)CCOCCC(C)(C)C 7a_100000765024_100000204255 [1,1,0,0,0,0|2,0,0]=4 507 B12R0.150 COC(=O)CCOCC[N+](C)(C)C 7a_200020618287_100000204255 [1,1,0,0,0,0|1,0,0]=3 508 B12R0.150 COC(=O)CCOCC[Si](C)(C)C 7a_100000039746_100000204255 [1,1,0,0,0,0|2,0,0]=4 509 B12R0.150 COC(=O)CCSCCC(C)(C)C 62a_100000204255_100000755188 [1,1,0,0,0,0|2,0,0]=4 510 B12R0.150 COC(=O)CCSCCC(C)(C)C 62a_100000755188_100000204255 [1,1,0,0,0,0|2,0,0]=4 511 B12R0.150 COC(=O)CCSCC[N+](C)(C)C 62a_100000085578_100000204255 [1,1,0,0,0,0|1,0,0]=3 512 B12R0.150 COC(=O)CCSCC[N+](C)(C)C 62a_100000204255_100000085578 [1,1,0,0,0,0|1,0,0]=3 513 B12R0.150 COC(=O)CCSCC[Si](C)(C)C 62a_100000204255_200000733723 [1,1,0,0,0,0|2,0,0]=4 514 B12R0.150 COC(=O)CCSCC[Si](C)(C)C 62a_200000733723_100000204255 [1,1,0,0,0,0|2,0,0]=4 515 B12R0.150 COC(=O)COCCC[Si](C)(C)C 7a_200011215415_100000747449 [1,1,0,0,0,0|2,0,0]=4 516 B12R0.150 COC(=O)CSCCC[N+](C)(C)C 62a_100000747449_100016990835 [1,1,0,0,0,0|1,0,0]=3 517 B12R0.150 COC(=O)CSCCC[N+](C)(C)C 62a_100016990835_100000747449 [1,1,0,0,0,0|1,0,0]=3 518 B12R0.150 COC(=O)CSCCC[Si](C)(C)C 62a_100000747449_100011219597 [1,1,0,0,0,0|2,0,0]=4 519 B12R0.150 COC(=O)CSCCC[Si](C)(C)C 62a_100011219597_100000747449 [1,1,0,0,0,0|2,0,0]=4 520 B12R0.150 COC(=O)OCSCC[N+](C)(C)C 62a_100000085578_100000139417 [1,1,0,0,0,0|2,0,0]=4 521 B12R0.150 C[N+](C)(C)CCCCCC(=O)CO 1458a_100000210174_100009813293 [1,1,0,0,0,0|0,0,0]=2 522 B12R0.150 C[N+](C)(C)CCOCCC(=NO)N 34a_100000749954_100000085578 [1,1,0,0,0,0|2,0,0]=4 523 B12R0.390 C[N+](C)(C)CCC(=O)CCC(=O)N 1458a_100011215257_100000085578 [1,1,0,0,0,0|1,0,1]=4 524 B12R0.72 C=CC[C@@H](N)COCC[N+](C)(C)C 34a_100020615467_100000085578 [1,1,0,0,0,0|2,0,0]=4 525 B12R0.72 COCC(N)COCC[N+](C)(C)C 34a_100000724102_100000085578 [1,1,0,0,0,0|1,0,1]=4 526 B12R0.577 C[N+](C)(C)CCCSC(C=O)C=O 62a_100000736813_100016990835 [1,1,0,0,0,0|2,0,0]=4 527 B12R0.577 C[N+](C)(C)CCCSC(C=O)C=O 62a_100016990835_100000736813 [1,1,0,0,0,0|2,0,0]=4 528 B12R0.311 CC(C)(CNC[N+](C)(C)C)C(=O)O 269956a_100000693527_200000036245 [0,1,0,0,1,0|2,0,0]=4 529 B12R0.311 C[N+](C)(C)CNCC(F)(F)C(=O)O 269956a_100000734215_200000036245 [0,1,0,0,1,0|2,0,0]=4 530 B12R0.586 C=C[C@H](NCC[N+](C)(C)C)C(=O)O 269956a_100016992060_100000085578 [0,1,0,0,1,0|2,0,0]=4 531 B12R0.586 CC[C@@H](NCC[N+](C)(C)C)C(=O)O 269956a_100000747097_100000085578 [0,1,0,0,1,0|2,0,0]=4 532 B12R0.586 C[N+](C)(C)CCNC(CO)C(=O)O 269956a_100000187304_100000085578 [0,1,0,0,1,0|2,0,0]=4 533 B12R0.947 CC(C(=O)O)N(C)CC[N+](C)(C)C 269956a_100000749554_100000085578 [0,1,0,0,1,0|2,0,0]=4 534 B14R0.104 COC(=O)CC(C)SCCC[N+](C)(C)C 62a_100009817358_100016990835 [0,1,0,0,0,1|2,0,0]=4 535 B14R0.104 COC(=O)CC(C)SCCC[N+](C)(C)C 62a_100016990835_100009817358 [0,1,0,0,0,1|2,0,0]=4 536 B14R0.104 COC(=O)C[C@@H](O)COCC[N+](C)(C)C 7a_200020618287_100000754131 [0,1,0,0,0,1|2,0,0]=4 537 B14R0.104 COC(=O)C[C@@H](O)CSCC[N+](C)(C)C 62a_100000085578_100000754131 [0,1,0,0,0,1|2,0,0]=4 538 B14R0.104 COC(=O)C[C@@H](O)CSCC[N+](C)(C)C 62a_100000754131_100000085578 [0,1,0,0,0,1|2,0,0]=4 539 B14R0.629 CC(C)(CC(=O)O)NCCC[N+](C)(C)C 269956a_100000755897_100016990835 [0,1,0,0,0,1|2,0,0]=4 540 B14R0.2622 CC[C@H](CC(=O)O)NCCC[N+](C)(C)C 269956a_100016995926_100016990835 [0,1,0,0,0,1|2,0,0]=4 541 B14R0.2622 C[N+](C)(C)CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100016990835 [0,1,0,0,0,1|2,0,0]=4 542 B14R0.520 CC(=O)C(C)COCC(O)C[N+](C)(C)C 34a_100000032740_100000032816 [0,1,0,0,0,1|2,0,0]=4 543 B14R0.520 CC(=O)C(C)COCC(O)C[N+](C)(C)C 7a_100000032740_100000032816 [0,1,0,0,0,1|2,0,0]=4 544 B14R0.520 CC(CNCC(O)C[N+](C)(C)C)C(=O)O 269956a_100000749485_100000032816 [0,1,0,0,0,1|1,0,0]=3 545 B14R0.520 C[N+](C)(C)CC(O)CNCC(F)C(=O)O 269956a_100000084737_100000032816 [0,1,0,0,0,1|1,0,0]=3 546 B14R0.520 C[N+](C)(C)CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100000032816 [0,1,0,0,0,1|1,0,0]=3 547 B14R0.635 C=C(CSCCC[N+](C)(C)C)C(=O)OC 62a_100009813391_100016990835 [0,1,0,0,0,1|1,0,1]=4 548 B14R0.635 C=C(CSCCC[N+](C)(C)C)C(=O)OC 62a_100016990835_100009813391 [0,1,0,0,0,1|1,0,1]=4 549 B14R0.635 CNC(=O)C(C)CNCCC[N+](C)(C)C 2230a_100015187722_100016990835 [0,1,0,0,0,1|2,0,0]=4 550 B14R0.635 CNC(=O)C(C)CNCCC[N+](C)(C)C 34a_100015187722_100016990835 [0,1,0,0,0,1|2,0,0]=4 551 B14R0.635 COC(=O)C(=O)CSCCC[N+](C)(C)C 62a_100011610305_100016990835 [0,1,0,0,0,1|1,0,1]=4 552 B14R0.635 COC(=O)C(=O)CSCCC[N+](C)(C)C 62a_100016990835_100011610305 [0,1,0,0,0,1|1,0,1]=4 553 B14R0.635 COC(=O)C(C)CCNCCC(C)(C)C 2230a_100000738805_100000034942 [0,1,0,0,0,1|2,0,0]=4 554 B14R0.635 COC(=O)C(C)CCOCCC(C)(C)C 7a_100000765024_100000034942 [0,1,0,0,0,1|2,0,0]=4 555 B14R0.635 COC(=O)C(C)CCOCC[N+](C)(C)C 7a_200020618287_100000034942 [0,1,0,0,0,1|1,0,0]=3 556 B14R0.635 COC(=O)C(C)CCOCC[Si](C)(C)C 7a_100000039746_100000034942 [0,1,0,0,0,1|2,0,0]=4 557 B14R0.635 COC(=O)C(C)CCSCCC(C)(C)C 62a_100000034942_100000755188 [0,1,0,0,0,1|2,0,0]=4 558 B14R0.635 COC(=O)C(C)CCSCCC(C)(C)C 62a_100000755188_100000034942 [0,1,0,0,0,1|2,0,0]=4 559 B14R0.635 COC(=O)C(C)CCSCC[N+](C)(C)C 62a_100000034942_100000085578 [0,1,0,0,0,1|1,0,0]=3 560 B14R0.635 COC(=O)C(C)CCSCC[N+](C)(C)C 62a_100000085578_100000034942 [0,1,0,0,0,1|1,0,0]=3 561 B14R0.635 COC(=O)C(C)CCSCC[Si](C)(C)C 62a_100000034942_200000733723 [0,1,0,0,0,1|2,0,0]=4 562 B14R0.635 COC(=O)C(C)CCSCC[Si](C)(C)C 62a_200000733723_100000034942 [0,1,0,0,0,1|2,0,0]=4 563 B14R0.635 COC(=O)C(C)COCCC[N+](C)(C)C 34a_100000749362_100016990835 [0,1,0,0,0,1|1,0,0]=3 564 B14R0.635 COC(=O)C(C)COCCC[N+](C)(C)C 7a_100000749362_100016990835 [0,1,0,0,0,1|1,0,0]=3 565 B14R0.635 COC(=O)C(C)COCCC[Si](C)(C)C 34a_100000749362_100011219597 [0,1,0,0,0,1|2,0,0]=4 566 B14R0.635 COC(=O)C(C)COCCC[Si](C)(C)C 7a_100000749362_100011219597 [0,1,0,0,0,1|2,0,0]=4 567 B14R0.635 COC(=O)C(C)CSCCC[N+](C)(C)C 62a_100000698445_100016990835 [0,1,0,0,0,1|1,0,0]=3 568 B14R0.635 COC(=O)C(C)CSCCC[N+](C)(C)C 62a_100016990835_100000698445 [0,1,0,0,0,1|1,0,0]=3 569 B14R0.635 COC(=O)C(C)CSCCC[Si](C)(C)C 62a_100000698445_100011219597 [0,1,0,0,0,1|2,0,0]=4 570 B14R0.635 COC(=O)C(C)CSCCC[Si](C)(C)C 62a_100011219597_100000698445 [0,1,0,0,0,1|2,0,0]=4 571 B14R0.635 COC(=O)C(C)OCCCC[Si](C)(C)C 7a_200009881916_100000211248 [0,1,0,0,0,1|2,0,0]=4 572 B14R0.635 COC(=O)C(F)COCCC[N+](C)(C)C 34a_200009849844_100016990835 [0,1,0,0,0,1|1,0,0]=3 573 B14R0.635 COC(=O)C(F)COCCC[Si](C)(C)C 34a_200009849844_100011219597 [0,1,0,0,0,1|2,0,0]=4 574 B14R0.635 COC(=O)[C@H](N)COCCCC(C)(C)O 34a_100000003586_100009888830 [0,1,0,0,0,1|2,0,0]=4 575 B14R0.635 COC(=O)[C@H](N)COCCC[N+](C)(C)C 34a_100000003586_100016990835 [0,1,0,0,0,1|0,0,0]=2 576 B14R0.635 COC(=O)[C@H](N)COCCC[Si](C)(C)C 34a_100000003586_100011219597 [0,1,0,0,0,1|1,0,0]=3 577 B14R0.635 COC(=O)[C@H](N)COCCO[Si](C)(C)C 34a_100000003586_200000032530 [0,1,0,0,0,1|2,0,0]=4 578 B14R0.635 C[N+](C)(C)CCCOCC(N)C(=O)NN 34a_100016989258_100016990835 [0,1,0,0,0,1|1,0,0]=3 579 B14R0.635 C[Si](C)(C)CCCOCC(N)C(=O)NN 34a_100016989258_100011219597 [0,1,0,0,0,1|2,0,0]=4 580 B14R0.4671 CC(C)(CNCCC[N+](C)(C)C)C(=O)N 2230a_100000740840_100016990835 [0,1,0,0,0,1|2,0,0]=4 581 B14R0.4671 CC(C)(CNCCC[N+](C)(C)C)C(=O)N 34a_100000740840_100016990835 [0,1,0,0,0,1|2,0,0]=4 582 B14R0.4671 CC(C)(CNCCC[N+](C)(C)C)C(=O)O 269956a_100000693527_100016990835 [0,1,0,0,0,1|1,0,0]=3 583 B14R0.4671 CC(C)(CNCCC[Si](C)(C)C)C(=O)O 269956a_100000693527_100011219597 [0,1,0,0,0,1|2,0,0]=4 584 B14R0.4671 CC(C)(CSCCC[N+](C)(C)C)C(=O)N 62a_100016990835_200009895572 [0,1,0,0,0,1|2,0,0]=4 585 B14R0.4671 CC(C)(CSCCC[N+](C)(C)C)C(=O)N 62a_200009895572_100016990835 [0,1,0,0,0,1|2,0,0]=4 586 B14R0.4671 CC(C)(ONCCC[N+](C)(C)C)C(=O)O 269956a_100016989451_100016990835 [0,1,0,0,0,1|2,0,0]=4 587 B14R0.4671 C[N+](C)(C)CCCNCC(F)(F)C(=O)O 269956a_100000734215_100016990835 [0,1,0,0,0,1|1,0,0]=3 588 B14R0.4671 C[Si](C)(C)CCCNCC(F)(F)C(=O)O 269956a_100000734215_100011219597 [0,1,0,0,0,1|2,0,0]=4 589 B14R0.173 CNC(=O)[C@@H](N)[C@@H](C)OCC[N+](C)(C)C 34a_100102634413_100000085578 [0,2,0,0,0,0|2,0,0]=4 590 B14R0.173 COC(=O)C(C)C(=O)CCC[N+](C)(C)C 1458a_100000085584_100000211248 [0,2,0,0,0,0|1,0,1]=4 591 B14R0.173 COC(=O)C(C)C(=O)CCC[N+](C)(C)C 1458a_100012027023_100016990835 [0,2,0,0,0,0|1,0,1]=4 592 B14R0.173 COC(=O)C(C)N(C)CCC[N+](C)(C)C 2230a_100000725243_100016990835 [0,2,0,0,0,0|2,0,0]=4 593 B14R0.173 COC(=O)C(C)N(C)CCC[N+](C)(C)C 269982a_100000725243_100016990835 [0,2,0,0,0,0|2,0,0]=4 594 B14R0.173 COC(=O)[C@@H](N)[C@@H](C)OCCC(C)(C)C 34a_100000004424_100000755188 [0,2,0,0,0,0|2,0,0]=4 595 B14R0.173 COC(=O)[C@@H](N)[C@@H](C)OCC[N+](C)(C)C 34a_100000004424_100000085578 [0,2,0,0,0,0|1,0,0]=3 596 B14R0.173 COC(=O)[C@@H](N)[C@@H](C)OCC[Si](C)(C)C 34a_100000004424_200000733723 [0,2,0,0,0,0|2,0,0]=4 597 B14R0.319 CCOC(=O)C(C)SCCC[N+](C)(C)C 62a_100011216346_100016990835 [0,2,0,0,0,0|2,0,0]=4 598 B14R0.319 CCOC(=O)C(C)SCCC[N+](C)(C)C 62a_100016990835_100011216346 [0,2,0,0,0,0|2,0,0]=4 599 B14R0.319 CCOC(=O)C(F)SCCC[N+](C)(C)C 62a_100000760018_100016990835 [0,2,0,0,0,0|2,0,0]=4 600 B14R0.319 CCOC(=O)C(F)SCCC[N+](C)(C)C 62a_100016990835_100000760018 [0,2,0,0,0,0|2,0,0]=4 601 B14R0.319 CCOC(=O)[C@H](C)OCCC[N+](C)(C)C 7a_100000751109_100016990835 [0,2,0,0,0,0|2,0,0]=4 602 B14R0.640 COC(=O)C(C)CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000034942 [0,2,0,0,0,0|1,0,1]=4 603 B14R0.640 COC(=O)C(C)OCC(O)C[N+](C)(C)C 34a_100011215400_100000032816 [0,2,0,0,0,0|2,0,0]=4 604 B14R0.640 COC(=O)C(C)SCC(O)C[N+](C)(C)C 62a_100000032816_100000211248 [0,2,0,0,0,0|2,0,0]=4 605 B14R0.640 COC(=O)C(C)SCC(O)C[N+](C)(C)C 62a_100000211248_100000032816 [0,2,0,0,0,0|2,0,0]=4 606 B14R0.1711 CCC(OCCC[N+](C)(C)C)C(=O)OC 34a_100000695916_100016990835 [0,2,0,0,0,0|2,0,0]=4 607 B14R0.1711 CCC(OCCC[N+](C)(C)C)C(=O)OC 7a_100000695916_100016990835 [0,2,0,0,0,0|2,0,0]=4 608 B14R0.1711 CCC(SCCC[N+](C)(C)C)C(=O)OC 62a_100000235869_100016990835 [0,2,0,0,0,0|2,0,0]=4 609 B14R0.1711 CCC(SCCC[N+](C)(C)C)C(=O)OC 62a_100016990835_100000235869 [0,2,0,0,0,0|2,0,0]=4 610 B14R0.1711 COC(=O)C(C=O)SCCC[N+](C)(C)C 62a_100000046368_100016990835 [0,2,0,0,0,0|2,0,0]=4 611 B14R0.1711 COC(=O)C(C=O)SCCC[N+](C)(C)C 62a_100016990835_100000046368 [0,2,0,0,0,0|2,0,0]=4 612 B14R0.1711 COC(=O)C(CN)OCCC[N+](C)(C)C 34a_100000695228_100016990835 [0,2,0,0,0,0|1,0,0]=3 613 B14R0.1711 COC(=O)C(CN)OCCC[Si](C)(C)C 34a_100000695228_100011219597 [0,2,0,0,0,0|2,0,0]=4 614 B14R0.1711 COC(=O)C(CO)SCCC[N+](C)(C)C 62a_100012276630_100016990835 [0,2,0,0,0,0|2,0,0]=4 615 B14R0.1711 COC(=O)C(CO)SCCC[N+](C)(C)C 62a_100016990835_100012276630 [0,2,0,0,0,0|2,0,0]=4 616 B14R0.1711 COC(=O)C(OC)OCCC[N+](C)(C)C 34a_100000036821_100016990835 [0,2,0,0,0,0|2,0,0]=4 617 B14R0.1711 COC(=O)C(OC)SCCC[N+](C)(C)C 62a_100000101307_100016990835 [0,2,0,0,0,0|2,0,0]=4 618 B14R0.1711 COC(=O)C(OC)SCCC[N+](C)(C)C 62a_100016990835_100000101307 [0,2,0,0,0,0|2,0,0]=4 619 B14R0.2278 COC(=O)C(C)(C)COCC[N+](C)(C)C 34a_100000709632_100000085578 [0,2,0,0,0,0|2,0,0]=4 620 B14R0.2278 COC(=O)C(C)(C)COCC[N+](C)(C)C 7a_100000709632_100000085578 [0,2,0,0,0,0|2,0,0]=4 621 B14R0.2278 COC(=O)C(C)(C)CSCC[N+](C)(C)C 62a_100000085578_100000684552 [0,2,0,0,0,0|2,0,0]=4 622 B14R0.2278 COC(=O)C(C)(C)CSCC[N+](C)(C)C 62a_100000684552_100000085578 [0,2,0,0,0,0|2,0,0]=4 623 B14R0.2278 COC(=O)C(C)(C)OCCC[N+](C)(C)C 34a_100011217581_100016990835 [0,2,0,0,0,0|2,0,0]=4 624 B14R0.2278 COC(=O)C(C)(C)OCCC[N+](C)(C)C 7a_100011217581_100016990835 [0,2,0,0,0,0|2,0,0]=4 625 B14R0.2278 COC(=O)C(C)(C)SCCC[N+](C)(C)C 62a_100000689032_100016990835 [0,2,0,0,0,0|2,0,0]=4 626 B14R0.2278 COC(=O)C(C)(C)SCCC[N+](C)(C)C 62a_100016990835_100000689032 [0,2,0,0,0,0|2,0,0]=4 627 B14R0.2278 COC(=O)C(C)(F)SCCC[N+](C)(C)C 62a_100016990835_200009867631 [0,2,0,0,0,0|2,0,0]=4 628 B14R0.2278 COC(=O)C(C)(F)SCCC[N+](C)(C)C 62a_200009867631_100016990835 [0,2,0,0,0,0|2,0,0]=4 629 B14R0.2278 COC(=O)C(F)(F)CSCC[N+](C)(C)C 62a_100000085578_100010295740 [0,2,0,0,0,0|2,0,0]=4 630 B14R0.2278 COC(=O)C(F)(F)CSCC[N+](C)(C)C 62a_100010295740_100000085578 [0,2,0,0,0,0|2,0,0]=4 631 B14R0.2278 COC(=O)C(F)(F)SCCC[N+](C)(C)C 62a_100000211177_100016990835 [0,2,0,0,0,0|2,0,0]=4 632 B14R0.2278 COC(=O)C(F)(F)SCCC[N+](C)(C)C 62a_100016990835_100000211177 [0,2,0,0,0,0|2,0,0]=4 633 B14R0.2239 C=C[C@H](NCC(O)C[N+](C)(C)C)C(=O)O 269956a_100016992060_100000032816 [0,2,0,0,0,0|2,0,0]=4 634 B14R0.2239 CC[C@@H](NCC(O)C[N+](C)(C)C)C(=O)O 269956a_100000747097_100000032816 [0,2,0,0,0,0|2,0,0]=4 635 B14R0.2239 C[N+](C)(C)CC(O)CNC(CO)C(=O)O 269956a_100000187304_100000032816 [0,2,0,0,0,0|2,0,0]=4 636 B14R0.2322 CC(C(=O)O)N(C)CC(O)C[N+](C)(C)C 269956a_100000749554_100000032816 [0,2,0,0,0,0|2,0,0]=4 637 B14R0.4450 CCC(C)(NCCC[N+](C)(C)C)C(=O)O 269956a_100025756313_100016990835 [0,2,0,0,0,0|2,0,0]=4 638 B14R0.2304 CN(CCC[N+](C)(C)C)[C@@H](CO)C(=O)O 269956a_100015362447_100016990835 [0,2,0,0,0,0|2,0,0]=4 639 B14R0.2238 CCC[C@H](NCCC[N+](C)(C)C)C(=O)O 269956a_100000750406_100016990835 [0,2,0,0,0,0|2,0,0]=4 640 B14R0.2238 COC[C@@H](NCCC[N+](C)(C)C)C(=O)O 269956a_100011998655_100016990835 [0,2,0,0,0,0|2,0,0]=4 641 B14R0.2238 CSC[C@H](NCCC[N+](C)(C)C)C(=O)O 269956a_100011421858_100016990835 [0,2,0,0,0,0|2,0,0]=4 642 B14R0.2238 C[Se]C[C@H](NCCC[N+](C)(C)C)C(=O)O 269956a_100015254316_100016990835 [0,2,0,0,0,0|2,0,0]=4 643 B14R0.2694 CC(C)[C@@H](NCCC[N+](C)(C)C)C(=O)O 269956a_100000745019_100016990835 [0,2,0,0,0,0|2,0,0]=4 644 B14R0.2694 CC(O)C(NCCC[N+](C)(C)C)C(=O)O 269956a_100000185852_100016990835 [0,2,0,0,0,0|2,0,0]=4 645 B14R0.2694 C[N+](C)(C)CCCNC(C(=O)N)C(=O)N 2230a_100000025885_100016990835 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.219 C[N+](C)(C)CCSC1CC(=O)C1 62a_100009894365_100000085578 [1,0,0,1,0,0|2,0,0]=4 647 B12R1.219 C[N+](C)(C)CSCC1CC(=O)C1 62a_100009874392_200000036245 [1,0,0,1,0,0|2,0,0]=4 648 B12R1.219 C[N+](C)(C)CSCC1CC(=O)C1 62a_200000036245_100009874392 [1,0,0,1,0,0|2,0,0]=4 649 B12R1.263 CC(C)(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000211941 [1,0,0,1,0,0|2,0,0]=4 650 B12R1.836 C[N+](C)(C)CSC1COC(=O)O1 62a_200000036245_100000032252 [1,0,0,1,0,0|2,0,0]=4 651 B12R1.1378 CC(C)(C)CN1CCC1C(=O)O 269956a_100000021838_100011219605 [1,0,0,1,0,0|2,0,0]=4 652 B12R1.1378 C[N+](C)(C)CN1CCC1C(=O)O 269956a_100000021838_200000036245 [1,0,0,1,0,0|1,0,0]=3 653 B12R1.1378 C[Si](C)(C)CN1CCC1C(=O)O 269956a_100000021838_100000037933 [1,0,0,1,0,0|2,0,0]=4 654 B14R1.804 C[N+](C)(C)CN1CCC(C1)CC(=O)O 269956a_100000719201_200000036245 [0,0,0,1,0,1|2,0,0]=4 655 B14R1.4258 C[N+](C)(C)CCCSC1COC(=O)O1 62a_100016990835_100000032252 [0,0,0,1,0,1|2,0,0]=4 656 B14R1.4258 C[N+](C)(C)CCOC[C@H]1COC(=O)N1 7a_200020618287_100015307671 [0,0,0,1,0,1|2,0,0]=4 657 B14R1.4258 C[N+](C)(C)CCSCC1COC(=O)O1 62a_100000073702_100000085578 [0,0,0,1,0,1|2,0,0]=4 658 B14R1.4258 C[N+](C)(C)CCSCC1COC(=O)O1 62a_100000085578_100000073702 [0,0,0,1,0,1|2,0,0]=4 659 B14R1.4258 C[N+](C)(C)CCSC[C@H]1COC(=O)N1 62a_100000085578_100015307671 [0,0,0,1,0,1|2,0,0]=4 660 B14R1.4258 C[N+](C)(C)CCSC[C@H]1COC(=O)N1 62a_100015307671_100000085578 [0,0,0,1,0,1|2,0,0]=4 661 B14R1.16776 C[N+](C)(C)CCN1CC(C1)CC(=O)O 269956a_100016993960_100000085578 [0,0,0,1,0,1|2,0,0]=4 662 B14R1.424 CC(C)(C)NC1CCCC(C1)C(=O)O 269956a_100011216634_100000211941 [0,0,0,1,0,1|2,0,0]=4 663 B14R1.424 C[N+](C)(C)CN1CCCC(C1)C(=O)N 269982a_100000195536_200000036245 [0,0,0,1,0,1|2,0,0]=4 664 B14R1.4410 C[N+](C)(C)CCOCCC1CCC1=O 7a_200020618287_200016118888 [0,0,0,1,0,1|2,0,0]=4 665 B14R1.4410 C[N+](C)(C)CCSCCC1CCC1=O 62a_100000085578_200016118888 [0,0,0,1,0,1|2,0,0]=4 666 B14R1.4410 C[N+](C)(C)CCSCCC1CCC1=O 62a_200016118888_100000085578 [0,0,0,1,0,1|2,0,0]=4 667 B14R1.6356 CC(C)(C)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011219605 [0,0,0,1,0,1|2,0,0]=4 668 B14R1.6356 C[N+](C)(C)CCN1CCC(C1)C(=O)N 269982a_100000752358_100000085578 [0,0,0,1,0,1|2,0,0]=4 669 B14R1.6356 C[N+](C)(C)CCN1CCC(C1)C(=O)N 34a_100000752358_100000085578 [0,0,0,1,0,1|2,0,0]=4 670 B14R1.6356 C[N+](C)(C)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000036245 [0,0,0,1,0,1|1,0,0]=3 671 B14R1.6356 C[Si](C)(C)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000037933 [0,0,0,1,0,1|2,0,0]=4 672 B14R1.6417 CC(C)(C)CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000755188 [0,0,0,1,0,1|2,0,0]=4 673 B14R1.6417 C[N+](C)(C)CCCN1CC(C1)C(=O)N 34a_100025753142_100016990835 [0,0,0,1,0,1|2,0,0]=4 674 B14R1.6417 C[N+](C)(C)CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000085578 [0,0,0,1,0,1|1,0,0]=3 675 B14R1.6417 C[Si](C)(C)CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000733723 [0,0,0,1,0,1|2,0,0]=4 676 B14R1.6428 CC(C)(C)N1CCCCC1(C)C(=O)O 269956a_100000698061_100000211941 [0,0,0,1,0,1|2,0,0]=4 677 B14R1.6429 CC(C)(C)CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100011219605 [0,0,0,1,0,1|2,0,0]=4 678 B14R1.6429 C[C@]1(CCCN1C[N+](C)(C)C)C(=O)O 269956a_100009816582_200000036245 [0,0,0,1,0,1|1,0,0]=3 679 B14R1.6429 C[C@]1(CCCN1C[Si](C)(C)C)C(=O)O 269956a_100009816582_100000037933 [0,0,0,1,0,1|2,0,0]=4 680 B14R1.330 C[N+](C)(C)CCCN[C@@H]1CONC1=O 2230a_100000765999_100016990835 [0,1,0,1,0,0|2,0,0]=4 681 B14R1.330 C[N+](C)(C)CCCN[C@@H]1CONC1=O 34a_100000765999_100016990835 [0,1,0,1,0,0|2,0,0]=4 682 B14R1.330 C[N+](C)(C)CCCSC1CCOC1=O 62a_100000211211_100016990835 [0,1,0,1,0,0|2,0,0]=4 683 B14R1.330 C[N+](C)(C)CCCSC1CCOC1=O 62a_100016990835_100000211211 [0,1,0,1,0,0|2,0,0]=4 684 B14R1.714 COC(=O)[C@@H]1CCN(C1)C[N+](C)(C)C 269982a_100016989057_200000036245 [0,1,0,1,0,0|2,0,0]=4 685 B14R1.1140 COC(=O)C1CN1CCC[N+](C)(C)C 2230a_200009830135_100016990835 [0,1,0,1,0,0|2,0,0]=4 686 B14R1.19522 COC(=O)C1CC(C1)SC[N+](C)(C)C 62a_100009897219_200000036245 [0,1,0,1,0,0|2,0,0]=4 687 B14R1.19522 COC(=O)C1CC(C1)SC[N+](C)(C)C 62a_200000036245_100009897219 [0,1,0,1,0,0|2,0,0]=4 688 B14R1.19522 COC(=O)C1CN(C1)CC[N+](C)(C)C 269982a_100015188540_100000085578 [0,1,0,1,0,0|2,0,0]=4 689 B14R1.414 C[N+](C)(C)CN1CCC(CC1)C(=O)O 269956a_100000210459_200000036245 [0,1,0,1,0,0|2,0,0]=4 690 B14R1.16734 C[N+](C)(C)CCCNC1(CC1)C(=O)O 269956a_100000746478_100016990835 [0,1,0,1,0,0|2,0,0]=4 691 B14R1.16734 C[N+](C)(C)CCNCC1(CC1)C(=O)O 269956a_100000703410_100000085578 [0,1,0,1,0,0|2,0,0]=4 692 B14R1.16734 C[N+](C)(C)CNCCC1(CC1)C(=O)O 269956a_100000690630_200000036245 [0,1,0,1,0,0|2,0,0]=4 693 B14R1.6408 C[N+](C)(C)CCCN1CCC1C(=O)O 269956a_100000021838_100016990835 [0,1,0,1,0,0|2,0,0]=4 694 B10R0.92 C[C@H](NC[N+](C)(C)C)C(=O)O 269956a_100000743915_200000036245 [0,0,0,0,2,0|2,0,0]=4 695 B12R0.42 CC(C)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011216152 [1,0,0,0,0,1|2,0,0]=4 696 B12R0.42 CC(C)CCCNCC(C)C(=O)O 269956a_100000749485_100011214892 [1,0,0,0,0,1|2,0,0]=4 697 B12R0.42 CC(C)CCCNCC(F)C(=O)O 269956a_100000084737_100011214892 [1,0,0,0,0,1|2,0,0]=4 698 B12R0.42 CC(C)CCCOC[C@H](N)C(=O)N 34a_100000729942_100011214892 [1,0,0,0,0,1|2,0,0]=4 699 B12R0.42 CC(CNCCCN(C)C)C(=O)O 269956a_100000749485_100000757444 [1,0,0,0,0,1|1,0,1]=4 700 B12R0.42 CN(C)CCCNCC(F)C(=O)O 269956a_100000084737_100000757444 [1,0,0,0,0,1|1,0,1]=4 701 B12R0.42 C[C@H](NCCCCN(C)C)C(=O)O 269956a_100000743915_100000690147 [1,0,0,0,0,1|1,0,1]=4 702 B12R0.137 C=C(Br)CCOCCC[N+](C)(C)C 34a_100009813270_100016990835 [1,0,0,0,0,1|2,0,0]=4 703 B12R0.137 C=C(C)CCOCCC[N+](C)(C)C 34a_100000764851_100016990835 [1,0,0,0,0,1|2,0,0]=4 704 B12R0.137 C=C(C)CCSCCC[N+](C)(C)C 62a_100000730704_100016990835 [1,0,0,0,0,1|2,0,0]=4 705 B12R0.137 C=C(C)CCSCCC[N+](C)(C)C 62a_100016990835_100000730704 [1,0,0,0,0,1|2,0,0]=4 706 B12R0.137 CC(=O)CCCCCC[N+](C)(C)C 1458a_100000070787_100009996864 [1,0,0,0,0,1|1,0,0]=3 707 B12R0.137 CC(=O)CCCCSCC(C)(C)C 62a_100000735457_100011219605 [1,0,0,0,0,1|2,0,0]=4 708 B12R0.137 CC(=O)CCCCSCC(C)(C)C 62a_100011219605_100000735457 [1,0,0,0,0,1|2,0,0]=4 709 B12R0.137 CC(=O)CCCCSC[N+](C)(C)C 62a_100000735457_200000036245 [1,0,0,0,0,1|1,0,0]=3 710 B12R0.137 CC(=O)CCCCSC[N+](C)(C)C 62a_200000036245_100000735457 [1,0,0,0,0,1|1,0,0]=3 711 B12R0.137 CC(=O)CCCCSC[Si](C)(C)C 62a_100000037933_100000735457 [1,0,0,0,0,1|2,0,0]=4 712 B12R0.137 CC(=O)CCCCSC[Si](C)(C)C 62a_100000735457_100000037933 [1,0,0,0,0,1|2,0,0]=4 713 B12R0.137 CC(=O)CCCOCCC(C)(C)C 34a_100000759063_100000755188 [1,0,0,0,0,1|2,0,0]=4 714 B12R0.137 CC(=O)CCCOCCC(C)(C)C 7a_100000759063_100000755188 [1,0,0,0,0,1|2,0,0]=4 715 B12R0.137 CC(=O)CCCOCCC(C)(C)C 7a_100000765024_100011215641 [1,0,0,0,0,1|2,0,0]=4 716 B12R0.137 CC(=O)CCCOCC[N+](C)(C)C 34a_100000759063_100000085578 [1,0,0,0,0,1|1,0,0]=3 717 B12R0.137 CC(=O)CCCOCC[N+](C)(C)C 7a_100000759063_100000085578 [1,0,0,0,0,1|1,0,0]=3 718 B12R0.137 CC(=O)CCCOCC[N+](C)(C)C 7a_200020618287_100011215641 [1,0,0,0,0,1|1,0,0]=3 719 B12R0.137 CC(=O)CCCOCC[Si](C)(C)C 34a_100000759063_200000733723 [1,0,0,0,0,1|2,0,0]=4 720 B12R0.137 CC(=O)CCCOCC[Si](C)(C)C 7a_100000039746_100011215641 [1,0,0,0,0,1|2,0,0]=4 721 B12R0.137 CC(=O)CCCOCC[Si](C)(C)C 7a_100000759063_200000733723 [1,0,0,0,0,1|2,0,0]=4 722 B12R0.137 CC(=O)CCCSCCC(C)(C)C 62a_100000755188_100011215641 [1,0,0,0,0,1|2,0,0]=4 723 B12R0.137 CC(=O)CCCSCCC(C)(C)C 62a_100011215641_100000755188 [1,0,0,0,0,1|2,0,0]=4 724 B12R0.137 CC(=O)CCCSCC[N+](C)(C)C 62a_100000085578_100011215641 [1,0,0,0,0,1|1,0,0]=3 725 B12R0.137 CC(=O)CCCSCC[N+](C)(C)C 62a_100011215641_100000085578 [1,0,0,0,0,1|1,0,0]=3 726 B12R0.137 CC(=O)CCCSCC[Si](C)(C)C 62a_100011215641_200000733723 [1,0,0,0,0,1|2,0,0]=4 727 B12R0.137 CC(=O)CCCSCC[Si](C)(C)C 62a_200000733723_100011215641 [1,0,0,0,0,1|2,0,0]=4 728 B12R0.137 CC(=O)CCOCCC[N+](C)(C)C 34a_100000759926_100016990835 [1,0,0,0,0,1|1,0,0]=3 729 B12R0.137 CC(=O)CCOCCC[N+](C)(C)C 7a_100000759926_100016990835 [1,0,0,0,0,1|1,0,0]=3 730 B12R0.137 CC(=O)CCOCCC[Si](C)(C)C 34a_100000759926_100011219597 [1,0,0,0,0,1|2,0,0]=4 731 B12R0.137 CC(=O)CCOCCC[Si](C)(C)C 7a_100000759926_100011219597 [1,0,0,0,0,1|2,0,0]=4 732 B12R0.137 CC(=O)CCOCCC[Si](C)(C)C 7a_200011215415_100000053229 [1,0,0,0,0,1|2,0,0]=4 733 B12R0.137 CC(=O)CCSCCC[N+](C)(C)C 62a_100000053229_100016990835 [1,0,0,0,0,1|1,0,0]=3 734 B12R0.137 CC(=O)CCSCCC[N+](C)(C)C 62a_100016990835_100000053229 [1,0,0,0,0,1|1,0,0]=3 735 B12R0.137 CC(=O)CCSCCC[Si](C)(C)C 62a_100000053229_100011219597 [1,0,0,0,0,1|2,0,0]=4 736 B12R0.137 CC(=O)CCSCCC[Si](C)(C)C 62a_100011219597_100000053229 [1,0,0,0,0,1|2,0,0]=4 737 B12R0.137 CC(=O)NCCOCC[N+](C)(C)C 34a_100000158858_100000085578 [1,0,0,0,0,1|2,0,0]=4 738 B12R0.137 CC(=O)NCCOCC[N+](C)(C)C 7a_200020618287_100000189650 [1,0,0,0,0,1|2,0,0]=4 739 B12R0.137 CC(=O)NCCSCC[N+](C)(C)C 62a_100000085578_100000189650 [1,0,0,0,0,1|2,0,0]=4 740 B12R0.137 CC(=O)NCCSCC[N+](C)(C)C 62a_100000189650_100000085578 [1,0,0,0,0,1|2,0,0]=4 741 B12R0.137 CC(=O)OCCCSC[N+](C)(C)C 62a_100000042594_200000036245 [1,0,0,0,0,1|2,0,0]=4 742 B12R0.137 CC(=O)OCCCSC[N+](C)(C)C 62a_200000036245_100000042594 [1,0,0,0,0,1|2,0,0]=4 743 B12R0.137 CC(=O)OCCOCC[N+](C)(C)C 7a_200020618287_100009814007 [1,0,0,0,0,1|2,0,0]=4 744 B12R0.137 CC(=O)OCCSCC[N+](C)(C)C 62a_100000085578_100009814007 [1,0,0,0,0,1|2,0,0]=4 745 B12R0.137 CC(=O)OCCSCC[N+](C)(C)C 62a_100009814007_100000085578 [1,0,0,0,0,1|2,0,0]=4 746 B12R0.137 CC(=O)OCSCCC[N+](C)(C)C 62a_100000076356_100016990835 [1,0,0,0,0,1|2,0,0]=4 747 B12R0.137 CC(=O)OCSCCC[N+](C)(C)C 62a_100016990835_100000076356 [1,0,0,0,0,1|2,0,0]=4 748 B12R0.137 CC(=O)SCCCSC[N+](C)(C)C 62a_100000038929_200000036245 [1,0,0,0,0,1|2,0,0]=4 749 B12R0.137 CC(=O)SCCCSC[N+](C)(C)C 62a_200000036245_100000038929 [1,0,0,0,0,1|2,0,0]=4 750 B12R0.137 CC(C)(C)CCNCCCC(=O)N 34a_100000739312_100000755188 [1,0,0,0,0,1|2,0,0]=4 751 B12R0.137 CC(C)(C)CCOCCCC(=O)N 7a_100000765024_100102525003 [1,0,0,0,0,1|2,0,0]=4 752 B12R0.137 CC(C)(C)CCSCCCC(=O)N 62a_100000755188_100102525003 [1,0,0,0,0,1|2,0,0]=4 753 B12R0.137 CC(C)(C)CCSCCCC(=O)N 62a_100102525003_100000755188 [1,0,0,0,0,1|2,0,0]=4 754 B12R0.137 CC(C)(C)CNCCCCC(=O)N 270004a_100000696515_100011204126 [1,0,0,0,0,1|2,0,0]=4 755 B12R0.137 CC(C)(C)CNCCCCC(=O)N 34a_100000696515_100011219605 [1,0,0,0,0,1|2,0,0]=4 756 B12R0.137 CC(C)(C)CNCCOCC(=O)O 269956a_100000700818_100011219605 [1,0,0,0,0,1|2,0,0]=4 757 B12R0.137 CC(C)(C)COCCCCC(=O)N 34a_100012022536_100011219605 [1,0,0,0,0,1|2,0,0]=4 758 B12R0.137 CC(C)(C)NCCCCCC(=O)N 2230a_100000715429_100009817443 [1,0,0,0,0,1|2,0,0]=4 759 B12R0.137 CC(C)(C)OCCCCCC(=O)N 34a_100000123541_100000210625 [1,0,0,0,0,1|2,0,0]=4 760 B12R0.137 CC(C)(C)OCCCCCC(=O)N 34a_100015890283_100009817443 [1,0,0,0,0,1|2,0,0]=4 761 B12R0.137 CC(C)(C)OCCCCCC(=O)N 7a_100015890283_100009817443 [1,0,0,0,0,1|2,0,0]=4 762 B12R0.137 CC(C)(C)SCCCCCC(=O)N 62a_100000211941_100009817443 [1,0,0,0,0,1|2,0,0]=4 763 B12R0.137 CC(C)(C)SCCCCCC(=O)N 62a_100009817443_100000211941 [1,0,0,0,0,1|2,0,0]=4 764 B12R0.137 CC(O)CCCOCC[N+](C)(C)C 7a_200020618287_200000718107 [1,0,0,0,0,1|1,0,1]=4 765 B12R0.137 CC(O)CCCSCC[N+](C)(C)C 62a_100000085578_200000718107 [1,0,0,0,0,1|1,0,1]=4 766 B12R0.137 CC(O)CCCSCC[N+](C)(C)C 62a_200000718107_100000085578 [1,0,0,0,0,1|1,0,1]=4 767 B12R0.137 CC(O)CCNCCC[N+](C)(C)C 2230a_200000755665_100016990835 [1,0,0,0,0,1|1,0,1]=4 768 B12R0.137 CC(O)CCSCCC[N+](C)(C)C 62a_100012276601_100016990835 [1,0,0,0,0,1|1,0,1]=4 769 B12R0.137 CC(O)CCSCCC[N+](C)(C)C 62a_100016990835_100012276601 [1,0,0,0,0,1|1,0,1]=4 770 B12R0.137 C[N+](C)(C)CCCNOCC(=O)O 269956a_100000106656_100016990835 [1,0,0,0,0,1|1,0,0]=3 771 B12R0.137 C[N+](C)(C)CCCOCCC(=O)N 34a_100000757172_100016990835 [1,0,0,0,0,1|1,0,0]=3 772 B12R0.137 C[N+](C)(C)CCCOCCC(=O)N 7a_100000757172_100016990835 [1,0,0,0,0,1|1,0,0]=3 773 B12R0.137 C[N+](C)(C)CCCSCCC(=O)N 62a_100000744528_100016990835 [1,0,0,0,0,1|1,0,0]=3 774 B12R0.137 C[N+](C)(C)CCCSCCC(=O)N 62a_100016990835_100000744528 [1,0,0,0,0,1|1,0,0]=3 775 B12R0.137 C[N+](C)(C)CCNCCCC(=O)N 34a_100000739312_100000085578 [1,0,0,0,0,1|1,0,0]=3 776 B12R0.137 C[N+](C)(C)CCNCCNC(=O)N 34a_100020590234_100000085578 [1,0,0,0,0,1|2,0,0]=4 777 B12R0.137 C[N+](C)(C)CCOCCCC(=O)N 7a_200020618287_100102525003 [1,0,0,0,0,1|1,0,0]=3 778 B12R0.137 C[N+](C)(C)CCOCCC[N+](=O)[O-] 34a_200000037920_100000085578 [1,0,0,0,0,1|1,0,1]=4 779 B12R0.137 C[N+](C)(C)CCOCCNC(=O)N 34a_100000181757_100000085578 [1,0,0,0,0,1|2,0,0]=4 780 B12R0.137 C[N+](C)(C)CCOCCNC(=O)N 7a_200020618287_200000034859 [1,0,0,0,0,1|2,0,0]=4 781 B12R0.137 C[N+](C)(C)CCOCCOC(=O)N 7a_100000766696_100000085578 [1,0,0,0,0,1|2,0,0]=4 782 B12R0.137 C[N+](C)(C)CCOCCOC(=O)N 7a_200020618287_200011214921 [1,0,0,0,0,1|2,0,0]=4 783 B12R0.137 C[N+](C)(C)CCSCCCC(=O)N 62a_100000085578_100102525003 [1,0,0,0,0,1|1,0,0]=3 784 B12R0.137 C[N+](C)(C)CCSCCCC(=O)N 62a_100102525003_100000085578 [1,0,0,0,0,1|1,0,0]=3 785 B12R0.137 C[N+](C)(C)CCSCCNC(=O)N 62a_100000085578_200000034859 [1,0,0,0,0,1|2,0,0]=4 786 B12R0.137 C[N+](C)(C)CCSCCNC(=O)N 62a_200000034859_100000085578 [1,0,0,0,0,1|2,0,0]=4 787 B12R0.137 C[N+](C)(C)CCSCCOC(=O)N 62a_100000085578_200011214921 [1,0,0,0,0,1|2,0,0]=4 788 B12R0.137 C[N+](C)(C)CCSCCOC(=O)N 62a_200011214921_100000085578 [1,0,0,0,0,1|2,0,0]=4 789 B12R0.137 C[N+](C)(C)CNCCOCC(=O)O 269956a_100000700818_200000036245 [1,0,0,0,0,1|1,0,0]=3 790 B12R0.137 C[N+](C)(C)CSCCCCB(O)O 62a_200000036245_200009817182 [1,0,0,0,0,1|1,0,1]=4 791 B12R0.137 C[N+](C)(C)CSCCCCB(O)O 62a_200009817182_200000036245 [1,0,0,0,0,1|1,0,1]=4 792 B12R0.137 C[N+](C)(C)CSCCOCC(=O)N 62a_100000076697_200000036245 [1,0,0,0,0,1|2,0,0]=4 793 B12R0.137 C[N+](C)(C)CSCCOCC(=O)N 62a_200000036245_100000076697 [1,0,0,0,0,1|2,0,0]=4 794 B12R0.137 C[Si](C)(C)CCCCOCC(=O)N 7a_200009881916_100000187820 [1,0,0,0,0,1|2,0,0]=4 795 B12R0.137 C[Si](C)(C)CCCNOCC(=O)O 269956a_100000106656_100011219597 [1,0,0,0,0,1|2,0,0]=4 796 B12R0.137 C[Si](C)(C)CCCOCCC(=O)N 34a_100000757172_100011219597 [1,0,0,0,0,1|2,0,0]=4 797 B12R0.137 C[Si](C)(C)CCCOCCC(=O)N 7a_100000757172_100011219597 [1,0,0,0,0,1|2,0,0]=4 798 B12R0.137 C[Si](C)(C)CCCOCCC(=O)N 7a_200011215415_100000744528 [1,0,0,0,0,1|2,0,0]=4 799 B12R0.137 C[Si](C)(C)CCCSCCC(=O)N 62a_100000744528_100011219597 [1,0,0,0,0,1|2,0,0]=4 800 B12R0.137 C[Si](C)(C)CCCSCCC(=O)N 62a_100011219597_100000744528 [1,0,0,0,0,1|2,0,0]=4 801 B12R0.137 C[Si](C)(C)CCNCCCC(=O)N 34a_100000739312_200000733723 [1,0,0,0,0,1|2,0,0]=4 802 B12R0.137 C[Si](C)(C)CCOCCCC(=O)N 7a_100000039746_100102525003 [1,0,0,0,0,1|2,0,0]=4 803 B12R0.137 C[Si](C)(C)CCOCNCC(=O)O 269956a_100016091260_100000032501 [1,0,0,0,0,1|2,0,0]=4 804 B12R0.137 C[Si](C)(C)CCSCCCC(=O)N 62a_100102525003_200000733723 [1,0,0,0,0,1|2,0,0]=4 805 B12R0.137 C[Si](C)(C)CCSCCCC(=O)N 62a_200000733723_100102525003 [1,0,0,0,0,1|2,0,0]=4 806 B12R0.137 C[Si](C)(C)CNCCOCC(=O)O 269956a_100000700818_100000037933 [1,0,0,0,0,1|2,0,0]=4 807 B12R0.137 C[Si](C)(C)COCCCCC(=O)N 7a_100012022536_100000233785 [1,0,0,0,0,1|2,0,0]=4 808 B14R0.504 CN(CCCCC[N+](C)(C)C)CC(=O)O 269956a_100000746989_100009813293 [0,0,0,0,0,2|2,0,0]=4 809 B14R0.504 C[N+](C)(C)CCCNCC(O)CC(=O)O 269956a_100011218706_100016990835 [0,0,0,0,0,2|1,0,0]=3 810 B14R0.504 C[Si](C)(C)CCCNCC(O)CC(=O)O 269956a_100011218706_100011219597 [0,0,0,0,0,2|2,0,0]=4 811 B14R0.518 CC(=O)C(C)OCCCCC[N+](C)(C)C 34a_100000212229_100009813293 [0,0,0,0,0,2|2,0,0]=4 812 B14R0.518 CC(=O)C(C)SCCCCC[N+](C)(C)C 62a_100009813293_100009814033 [0,0,0,0,0,2|2,0,0]=4 813 B14R0.518 CC(=O)C(C)SCCCCC[N+](C)(C)C 62a_100009814033_100009813293 [0,0,0,0,0,2|2,0,0]=4 814 B14R0.518 CC(CNCOCC[Si](C)(C)C)C(=O)O 269956a_100000749485_100000032501 [0,0,0,0,0,2|2,0,0]=4 815 B14R0.518 CC(SCCCCC[N+](C)(C)C)C(=O)N 62a_100000702099_100009813293 [0,0,0,0,0,2|2,0,0]=4 816 B14R0.518 CC(SCCCCC[N+](C)(C)C)C(=O)N 62a_100009813293_100000702099 [0,0,0,0,0,2|2,0,0]=4 817 B14R0.518 C[C@@H](NCCCCC[N+](C)(C)C)C(=O)N 2230a_100000119354_100009813293 [0,0,0,0,0,2|2,0,0]=4 818 B14R0.518 C[C@@H](NCCCCC[N+](C)(C)C)C(=O)N 34a_100000119354_100009813293 [0,0,0,0,0,2|2,0,0]=4 819 B14R0.518 C[C@@H](OCCCCC[N+](C)(C)C)C(=O)N 34a_100000731257_100009813293 [0,0,0,0,0,2|2,0,0]=4 820 B14R0.518 C[C@@H](OCCCCC[N+](C)(C)C)C(=O)N 7a_100000731257_100009813293 [0,0,0,0,0,2|2,0,0]=4 821 B14R0.518 C[C@H](NCCCCC[N+](C)(C)C)C(=O)O 269956a_100000743915_100009813293 [0,0,0,0,0,2|1,0,0]=3 822 B14R0.518 C[C@H](OCCCCC[N+](C)(C)C)C(=O)[O-] 7a_217856618621_100009813293 [0,0,0,0,0,2|1,0,1]=4 823 B14R0.518 C[N+](C)(C)CCCCCSC(F)C(=O)N 62a_100009813293_100009813875 [0,0,0,0,0,2|2,0,0]=4 824 B14R0.518 C[N+](C)(C)CCCCCSC(F)C(=O)N 62a_100009813875_100009813293 [0,0,0,0,0,2|2,0,0]=4 825 B14R0.518 C[N+](C)(C)CCCCCSC(F)C(=O)[O-] 62a_100009813293_100020610796 [0,0,0,0,0,2|1,0,1]=4 826 B14R0.518 C[N+](C)(C)CCCCCSC(F)C(=O)[O-] 62a_100020610796_100009813293 [0,0,0,0,0,2|1,0,1]=4 827 B14R0.518 C[Si](C)(C)CCOCNCC(F)C(=O)O 269956a_100000084737_100000032501 [0,0,0,0,0,2|2,0,0]=4 828 B14R0.518 C[Si](C)(C)CCOCOC[C@H](N)C(=O)N 34a_100000729942_100000032501 [0,0,0,0,0,2|2,0,0]=4