0 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,0,0,0,0,0|1,0,2]=3 1 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,0,0,0,0,0|1,0,2]=3 2 B12R0.234 C#CCCCCCCNCC(=O)N 2230a_100000711301_100012276617 [0,0,0,0,0,0|2,0,2]=4 3 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [0,0,0,0,0,0|1,0,2]=3 4 B12R0.234 C#CCCCCCCOCC(=O)C 34a_100000211253_100012276617 [0,0,0,0,0,0|2,0,2]=4 5 B12R0.234 C#CCCCCCCOCC(=O)N 34a_100011217361_100000187820 [0,0,0,0,0,0|2,0,2]=4 6 B12R0.234 C#CCCCCCCOCC(=O)N 7a_100011217361_100000187820 [0,0,0,0,0,0|2,0,2]=4 7 B12R0.234 C#CCCCCCCOCC(=O)[O-] 34a_100011217361_100020667443 [0,0,0,0,0,0|1,0,3]=4 8 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100000747473_100012276617 [0,0,0,0,0,0|2,0,2]=4 9 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100012276617_100000747473 [0,0,0,0,0,0|2,0,2]=4 10 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100012276617_100020667443 [0,0,0,0,0,0|1,0,3]=4 11 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100020667443_100012276617 [0,0,0,0,0,0|1,0,3]=4 12 B12R0.234 C#CCCCCCNOCC(=O)O 269956a_100000106656_100012094781 [0,0,0,0,0,0|2,0,2]=4 13 B12R0.234 C#CCCCCCOCCC(=O)C 34a_100000759926_100012094781 [0,0,0,0,0,0|2,0,2]=4 14 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000759926_100012094781 [0,0,0,0,0,0|2,0,2]=4 15 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000766912_100000053229 [0,0,0,0,0,0|2,0,2]=4 16 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000757172_100012094781 [0,0,0,0,0,0|2,0,2]=4 17 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000766912_100000731001 [0,0,0,0,0,0|2,0,2]=4 18 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000757172_100012094781 [0,0,0,0,0,0|2,0,2]=4 19 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000766912_100000744528 [0,0,0,0,0,0|2,0,2]=4 20 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100000053229_100012094781 [0,0,0,0,0,0|2,0,2]=4 21 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100012094781_100000053229 [0,0,0,0,0,0|2,0,2]=4 22 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100000744528_100012094781 [0,0,0,0,0,0|2,0,2]=4 23 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100012094781_100000744528 [0,0,0,0,0,0|2,0,2]=4 24 B12R0.234 C#CCCCCNCCCC(=O)C 34a_100000706060_100000685027 [0,0,0,0,0,0|2,0,2]=4 25 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000706060_100102525003 [0,0,0,0,0,0|2,0,2]=4 26 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000739312_100010269958 [0,0,0,0,0,0|2,0,2]=4 27 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000759063_100010269958 [0,0,0,0,0,0|2,0,2]=4 28 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000766709_100000685027 [0,0,0,0,0,0|2,0,2]=4 29 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000759063_100010269958 [0,0,0,0,0,0|2,0,2]=4 30 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000766709_100011215641 [0,0,0,0,0,0|2,0,2]=4 31 B12R0.234 C#CCCCCOCCCC(=O)N 34a_100000766709_100102525003 [0,0,0,0,0,0|2,0,2]=4 32 B12R0.234 C#CCCCCOCCCC(=O)N 7a_100000766709_100102525003 [0,0,0,0,0,0|2,0,2]=4 33 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100010269958_100011215641 [0,0,0,0,0,0|2,0,2]=4 34 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100011215641_100010269958 [0,0,0,0,0,0|2,0,2]=4 35 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100010269958_100102525003 [0,0,0,0,0,0|2,0,2]=4 36 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100102525003_100010269958 [0,0,0,0,0,0|2,0,2]=4 37 B12R0.234 C#CCCCNCCCCC(=O)C 34a_100000718082_100009817362 [0,0,0,0,0,0|2,0,2]=4 38 B12R0.234 C#CCCCNCCCCC(=O)N 34a_100000696515_100000695029 [0,0,0,0,0,0|2,0,2]=4 39 B12R0.234 C#CCCCNCCOCC(=O)O 269956a_100000700818_100011215417 [0,0,0,0,0,0|2,0,2]=4 40 B12R0.234 C#CCCCOCCCCC(=O)C 34a_100000215630_100009817362 [0,0,0,0,0,0|2,0,2]=4 41 B12R0.234 C#CCCCOCCCCC(=O)C 7a_100000215630_100000735457 [0,0,0,0,0,0|2,0,2]=4 42 B12R0.234 C#CCCCOCCCCC(=O)N 34a_100012022536_100000695029 [0,0,0,0,0,0|2,0,2]=4 43 B12R0.234 C#CCCCOCCCCC(=O)N 7a_100012022536_100011215417 [0,0,0,0,0,0|2,0,2]=4 44 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100000735457_100011215417 [0,0,0,0,0,0|2,0,2]=4 45 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100011215417_100000735457 [0,0,0,0,0,0|2,0,2]=4 46 B12R0.234 C#CCCNCCCCCC(=O)N 34a_100000755551_100009817443 [0,0,0,0,0,0|2,0,2]=4 47 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100000123541_100000688953 [0,0,0,0,0,0|2,0,2]=4 48 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100011215631_100009817443 [0,0,0,0,0,0|2,0,2]=4 49 B12R0.234 C#CCCOCCCCCC(=O)N 7a_100000123541_100000688953 [0,0,0,0,0,0|2,0,2]=4 50 B12R0.234 C#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000688953 [0,0,0,0,0,0|1,0,3]=4 51 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100000688953_100009817443 [0,0,0,0,0,0|2,0,2]=4 52 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100009817443_100000688953 [0,0,0,0,0,0|2,0,2]=4 53 B12R0.234 C/C=C/CCOCCCCC(=O)C 34a_100016278192_100009817362 [0,0,0,0,0,0|2,0,2]=4 54 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100000123541_100102629194 [0,0,0,0,0,0|2,0,2]=4 55 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100016270725_100009817443 [0,0,0,0,0,0|2,0,2]=4 56 B12R0.234 C/C=C/COCCCCCC(=O)N 7a_100000123541_100102629194 [0,0,0,0,0,0|2,0,2]=4 57 B12R0.234 C/C=C/COCCCCCC(=O)[O-] 7a_100102619762_100102629194 [0,0,0,0,0,0|1,0,3]=4 58 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100009817443_100102629194 [0,0,0,0,0,0|2,0,2]=4 59 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100102629194_100009817443 [0,0,0,0,0,0|2,0,2]=4 60 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000139337_100000730704 [0,0,0,0,0,0|4,0,0]=4 61 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000730704_100000139337 [0,0,0,0,0,0|4,0,0]=4 62 B12R0.234 C=CCCC/C=C/COCC(=O)N 34a_200016268473_100000187820 [0,0,0,0,0,0|2,0,2]=4 63 B12R0.234 C=CCCC/C=C/COCC(=O)N 7a_200016268473_100000187820 [0,0,0,0,0,0|2,0,2]=4 64 B12R0.234 C=CCCC/C=C/COCC(=O)[O-] 34a_200016268473_100020667443 [0,0,0,0,0,0|1,0,3]=4 65 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,0,0,0,0,0|1,0,0]=1 66 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,0,0,0,0,0|1,0,0]=1 67 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,0,0,0,0,0|1,0,0]=1 68 B12R0.234 C=CCCCCCCCCN(C)C 2230a_100102631434_100011933949 [0,0,0,0,0,0|3,0,0]=3 69 B12R0.234 C=CCCCCCCCCN(C)C 269982a_100102631434_100011933949 [0,0,0,0,0,0|3,0,0]=3 70 B12R0.234 C=CCCCCCCCNC(C)C 2230a_100138425928_100012355270 [0,0,0,0,0,0|3,0,1]=4 71 B12R0.234 C=CCCCCCCCNC(C)C 34a_100138425928_100012355270 [0,0,0,0,0,0|3,0,1]=4 72 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000212225_100012355270 [0,0,0,0,0,0|3,0,1]=4 73 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000730831_100000210206 [0,0,0,0,0,0|3,0,1]=4 74 B12R0.234 C=CCCCCCCCOC(C)C 7a_100000730831_100000210206 [0,0,0,0,0,0|3,0,1]=4 75 B12R0.234 C=CCCCCCCCSC(C)C 62a_100000210206_100012355270 [0,0,0,0,0,0|3,0,1]=4 76 B12R0.234 C=CCCCCCCCSC(C)C 62a_100012355270_100000210206 [0,0,0,0,0,0|3,0,1]=4 77 B12R0.234 C=CCCCCCCNCC(=O)N 2230a_100000711301_100011215473 [0,0,0,0,0,0|2,0,0]=2 78 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [0,0,0,0,0,0|1,0,0]=1 79 B12R0.234 C=CCCCCCCNCC(C)C 2230a_100000210953_100011215473 [0,0,0,0,0,0|3,0,1]=4 80 B12R0.234 C=CCCCCCCNCC(C)C 34a_100000210953_100011215473 [0,0,0,0,0,0|3,0,1]=4 81 B12R0.234 C=CCCCCCCNCC(C)O 2230a_100000210904_100011215473 [0,0,0,0,0,0|2,0,1]=3 82 B12R0.234 C=CCCCCCCNCC(C)O 34a_100000210904_100011215473 [0,0,0,0,0,0|2,0,1]=3 83 B12R0.234 C=CCCCCCCNCC(F)F 34a_100000765723_100011215473 [0,0,0,0,0,0|3,0,1]=4 84 B12R0.234 C=CCCCCCCOCC(=C)C 34a_100000210245_100011215473 [0,0,0,0,0,0|3,0,0]=3 85 B12R0.234 C=CCCCCCCOCC(=C)C 34a_200011216477_100000748629 [0,0,0,0,0,0|3,0,0]=3 86 B12R0.234 C=CCCCCCCOCC(=C)C 7a_200011216477_100000748629 [0,0,0,0,0,0|3,0,0]=3 87 B12R0.234 C=CCCCCCCOCC(=C)F 34a_200010262243_100011215473 [0,0,0,0,0,0|3,0,0]=3 88 B12R0.234 C=CCCCCCCOCC(=C)F 34a_200011216477_100009893438 [0,0,0,0,0,0|3,0,0]=3 89 B12R0.234 C=CCCCCCCOCC(=C)F 7a_200011216477_100000042424 [0,0,0,0,0,0|3,0,0]=3 90 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [0,0,0,0,0,0|2,0,0]=2 91 B12R0.234 C=CCCCCCCOCC(=O)N 34a_200011216477_100000187820 [0,0,0,0,0,0|2,0,0]=2 92 B12R0.234 C=CCCCCCCOCC(=O)N 7a_200011216477_100000187820 [0,0,0,0,0,0|2,0,0]=2 93 B12R0.234 C=CCCCCCCOCC(=O)[O-] 34a_200011216477_100020667443 [0,0,0,0,0,0|1,0,1]=2 94 B12R0.234 C=CCCCCCCOCC(C)Br 34a_100012180447_100011215473 [0,0,0,0,0,0|3,0,1]=4 95 B12R0.234 C=CCCCCCCOCC(C)C 34a_100000210257_100011215473 [0,0,0,0,0,0|3,0,1]=4 96 B12R0.234 C=CCCCCCCOCC(C)C 34a_200011216477_100000210624 [0,0,0,0,0,0|3,0,1]=4 97 B12R0.234 C=CCCCCCCOCC(C)C 7a_200011216477_100000210760 [0,0,0,0,0,0|3,0,1]=4 98 B12R0.234 C=CCCCCCCOCC(C)F 34a_100015925927_100011215473 [0,0,0,0,0,0|3,0,1]=4 99 B12R0.234 C=CCCCCCCOCC(C)O 34a_200011216477_100011218427 [0,0,0,0,0,0|2,0,1]=3 100 B12R0.234 C=CCCCCCCOCC(C)O 7a_200011216477_100011218427 [0,0,0,0,0,0|2,0,1]=3 101 B12R0.234 C=CCCCCCCOCC(F)F 34a_100000743014_100011215473 [0,0,0,0,0,0|3,0,1]=4 102 B12R0.234 C=CCCCCCCOCC(F)F 34a_200011216477_100011934356 [0,0,0,0,0,0|3,0,1]=4 103 B12R0.234 C=CCCCCCCOCC(F)F 7a_200011216477_100011934356 [0,0,0,0,0,0|3,0,1]=4 104 B12R0.234 C=CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215473 [0,0,0,0,0,0|3,0,1]=4 105 B12R0.234 C=CCCCCCCOC[C@@H](C)N 34a_100000737577_100011215473 [0,0,0,0,0,0|3,0,1]=4 106 B12R0.234 C=CCCCCCCOC[C@@H](C)O 34a_200011216477_100009817552 [0,0,0,0,0,0|2,0,1]=3 107 B12R0.234 C=CCCCCCCOC[C@@H](C)O 7a_200011216477_100009817552 [0,0,0,0,0,0|2,0,1]=3 108 B12R0.234 C=CCCCCCCOC[N+](=O)[O-] 34a_200011216477_100000761209 [0,0,0,0,0,0|2,0,1]=3 109 B12R0.234 C=CCCCCCCSCC(=C)C 62a_100000748629_100011215473 [0,0,0,0,0,0|3,0,0]=3 110 B12R0.234 C=CCCCCCCSCC(=C)C 62a_100011215473_100000211660 [0,0,0,0,0,0|3,0,0]=3 111 B12R0.234 C=CCCCCCCSCC(=C)F 62a_100000042424_100011215473 [0,0,0,0,0,0|3,0,0]=3 112 B12R0.234 C=CCCCCCCSCC(=C)F 62a_100011215473_100000042424 [0,0,0,0,0,0|3,0,0]=3 113 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100000747473_100011215473 [0,0,0,0,0,0|2,0,0]=2 114 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100011215473_100000747473 [0,0,0,0,0,0|2,0,0]=2 115 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100011215473_100020667443 [0,0,0,0,0,0|1,0,1]=2 116 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100020667443_100011215473 [0,0,0,0,0,0|1,0,1]=2 117 B12R0.234 C=CCCCCCCSCC(C)C 62a_100000210624_100011215473 [0,0,0,0,0,0|3,0,1]=4 118 B12R0.234 C=CCCCCCCSCC(C)C 62a_100011215473_100000210760 [0,0,0,0,0,0|3,0,1]=4 119 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011215473_100011218427 [0,0,0,0,0,0|2,0,1]=3 120 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011218427_100011215473 [0,0,0,0,0,0|2,0,1]=3 121 B12R0.234 C=CCCCCCCSCC(F)F 62a_100011215473_100011934356 [0,0,0,0,0,0|3,0,1]=4 122 B12R0.234 C=CCCCCCCSCC(F)F 62a_100011934356_100011215473 [0,0,0,0,0,0|3,0,1]=4 123 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100009817552_100011215473 [0,0,0,0,0,0|2,0,1]=3 124 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100011215473_100009817552 [0,0,0,0,0,0|2,0,1]=3 125 B12R0.234 C=CCCCCCCSC[N+](=O)[O-] 62a_100011215473_100000761209 [0,0,0,0,0,0|2,0,1]=3 126 B12R0.234 C=CCCCCCNCC=C(C)C 34a_100000718196_100000700193 [0,0,0,0,0,0|3,0,1]=4 127 B12R0.234 C=CCCCCCNCCC(C)O 2230a_200000755665_100000700193 [0,0,0,0,0,0|2,0,1]=3 128 B12R0.234 C=CCCCCCNOCC(=O)O 269956a_100000106656_100000700193 [0,0,0,0,0,0|2,0,0]=2 129 B12R0.234 C=CCCCCCOCC=C(C)C 34a_100000753907_100000700193 [0,0,0,0,0,0|3,0,1]=4 130 B12R0.234 C=CCCCCCOCC=C(C)C 34a_100011216702_100000761012 [0,0,0,0,0,0|3,0,1]=4 131 B12R0.234 C=CCCCCCOCC=C(C)C 7a_100011216702_100000761012 [0,0,0,0,0,0|3,0,1]=4 132 B12R0.234 C=CCCCCCOCCC(=C)Br 34a_100009813270_100000700193 [0,0,0,0,0,0|3,0,0]=3 133 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100000764851_100000700193 [0,0,0,0,0,0|3,0,0]=3 134 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100011216702_100000730704 [0,0,0,0,0,0|3,0,0]=3 135 B12R0.234 C=CCCCCCOCCC(=C)C 7a_100011216702_100000730704 [0,0,0,0,0,0|3,0,0]=3 136 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [0,0,0,0,0,0|2,0,0]=2 137 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [0,0,0,0,0,0|2,0,0]=2 138 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [0,0,0,0,0,0|2,0,0]=2 139 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100000757172_100000700193 [0,0,0,0,0,0|2,0,0]=2 140 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100011216702_100000731001 [0,0,0,0,0,0|2,0,0]=2 141 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100000757172_100000700193 [0,0,0,0,0,0|2,0,0]=2 142 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100011216702_100000744528 [0,0,0,0,0,0|2,0,0]=2 143 B12R0.234 C=CCCCCCOCCC(C)Br 34a_100009893172_100000700193 [0,0,0,0,0,0|3,0,1]=4 144 B12R0.234 C=CCCCCCOCCC(C)C 34a_100000210254_100000700193 [0,0,0,0,0,0|3,0,1]=4 145 B12R0.234 C=CCCCCCOCCC(C)C 34a_100011216702_100000210312 [0,0,0,0,0,0|3,0,1]=4 146 B12R0.234 C=CCCCCCOCCC(C)C 7a_100000210254_100000700193 [0,0,0,0,0,0|3,0,1]=4 147 B12R0.234 C=CCCCCCOCCC(C)C 7a_100011216702_100000210626 [0,0,0,0,0,0|3,0,1]=4 148 B12R0.234 C=CCCCCCOCCC(C)O 34a_100011216702_100012276601 [0,0,0,0,0,0|2,0,1]=3 149 B12R0.234 C=CCCCCCOCCC(C)O 7a_100011216702_100012276601 [0,0,0,0,0,0|2,0,1]=3 150 B12R0.234 C=CCCCCCOCCC(F)F 34a_100103093639_100000700193 [0,0,0,0,0,0|3,0,1]=4 151 B12R0.234 C=CCCCCCOCCN(C)C 7a_100011216702_100000755713 [0,0,0,0,0,0|4,0,0]=4 152 B12R0.234 C=CCCCCCOCC[C@@H](C)N 34a_100000706166_100000700193 [0,0,0,0,0,0|3,0,1]=4 153 B12R0.234 C=CCCCCCOCOC(=O)C 34a_100011216702_100009813279 [0,0,0,0,0,0|3,0,0]=3 154 B12R0.234 C=CCCCCCSCC=C(C)C 62a_100000700193_100000761012 [0,0,0,0,0,0|3,0,1]=4 155 B12R0.234 C=CCCCCCSCC=C(C)C 62a_100000761012_100000700193 [0,0,0,0,0,0|3,0,1]=4 156 B12R0.234 C=CCCCCCSCCC(=C)C 62a_100000700193_100000730704 [0,0,0,0,0,0|3,0,0]=3 157 B12R0.234 C=CCCCCCSCCC(=C)C 62a_100000730704_100000700193 [0,0,0,0,0,0|3,0,0]=3 158 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000053229_100000700193 [0,0,0,0,0,0|2,0,0]=2 159 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000700193_100000053229 [0,0,0,0,0,0|2,0,0]=2 160 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000700193_100000744528 [0,0,0,0,0,0|2,0,0]=2 161 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000744528_100000700193 [0,0,0,0,0,0|2,0,0]=2 162 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000210312_100000700193 [0,0,0,0,0,0|3,0,1]=4 163 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000700193_100000210312 [0,0,0,0,0,0|3,0,1]=4 164 B12R0.234 C=CCCCCCSCCC(C)O 62a_100000700193_100012276601 [0,0,0,0,0,0|2,0,1]=3 165 B12R0.234 C=CCCCCCSCCC(C)O 62a_100012276601_100000700193 [0,0,0,0,0,0|2,0,1]=3 166 B12R0.234 C=CCCCCCSCCN(C)C 62a_100000700193_100000755713 [0,0,0,0,0,0|4,0,0]=4 167 B12R0.234 C=CCCCCCSCOC(=O)C 62a_100000076356_100000700193 [0,0,0,0,0,0|3,0,0]=3 168 B12R0.234 C=CCCCCCSCOC(=O)C 62a_100000700193_100000076356 [0,0,0,0,0,0|3,0,0]=3 169 B12R0.234 C=CCCCCNCCC=C(C)C 2230a_100000703577_100011217483 [0,0,0,0,0,0|3,0,1]=4 170 B12R0.234 C=CCCCCNCCC=C(C)C 34a_100000703577_100011217483 [0,0,0,0,0,0|3,0,1]=4 171 B12R0.234 C=CCCCCNCCC=C(F)F 2230a_100000703577_200009816681 [0,0,0,0,0,0|3,0,1]=4 172 B12R0.234 C=CCCCCNCCC=C(F)F 34a_100000703577_200009816681 [0,0,0,0,0,0|3,0,1]=4 173 B12R0.234 C=CCCCCNCCCC(=O)C 34a_100000703577_100000685027 [0,0,0,0,0,0|2,0,0]=2 174 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000703577_100102525003 [0,0,0,0,0,0|2,0,0]=2 175 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000739312_100011215482 [0,0,0,0,0,0|2,0,0]=2 176 B12R0.234 C=CCCCCNCCCC(C)C 2230a_100000703577_100011214892 [0,0,0,0,0,0|3,0,1]=4 177 B12R0.234 C=CCCCCNCCCC(C)C 2230a_200000737386_100011215482 [0,0,0,0,0,0|3,0,1]=4 178 B12R0.234 C=CCCCCNCCCC(C)C 34a_100000703577_100011214892 [0,0,0,0,0,0|3,0,1]=4 179 B12R0.234 C=CCCCCNCCCC(C)C 34a_200000737386_100011215482 [0,0,0,0,0,0|3,0,1]=4 180 B12R0.234 C=CCCCCNCCCC(C)O 2230a_100000703577_200000718107 [0,0,0,0,0,0|2,0,1]=3 181 B12R0.234 C=CCCCCNCCCC(C)O 34a_100000703577_200000718107 [0,0,0,0,0,0|2,0,1]=3 182 B12R0.234 C=CCCCCNCCCS(=O)C 2230a_200000753449_100011215482 [0,0,0,0,0,0|3,0,0]=3 183 B12R0.234 C=CCCCCNCCNC(=O)C 2230a_100000209853_100011215482 [0,0,0,0,0,0|3,0,0]=3 184 B12R0.234 C=CCCCCNCCNC(=O)C 2230a_100000703577_100000189650 [0,0,0,0,0,0|3,0,0]=3 185 B12R0.234 C=CCCCCNCCNC(=O)N 2230a_100000703577_200000034859 [0,0,0,0,0,0|3,0,0]=3 186 B12R0.234 C=CCCCCNCCNC(=O)N 34a_100020590234_100011215482 [0,0,0,0,0,0|3,0,0]=3 187 B12R0.234 C=CCCCCNCCOC(=O)C 34a_100000703577_100009814007 [0,0,0,0,0,0|3,0,0]=3 188 B12R0.234 C=CCCCCNCCOC(=O)N 34a_100000703577_200011214921 [0,0,0,0,0,0|3,0,0]=3 189 B12R0.234 C=CCCCCOCCC=C(C)C 34a_100000766645_100011217483 [0,0,0,0,0,0|3,0,1]=4 190 B12R0.234 C=CCCCCOCCC=C(C)C 7a_100000766645_100011217483 [0,0,0,0,0,0|3,0,1]=4 191 B12R0.234 C=CCCCCOCCC=C(F)F 34a_100000766645_200009816681 [0,0,0,0,0,0|3,0,1]=4 192 B12R0.234 C=CCCCCOCCC=C(F)F 7a_100000766645_200009816681 [0,0,0,0,0,0|3,0,1]=4 193 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [0,0,0,0,0,0|2,0,0]=2 194 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [0,0,0,0,0,0|2,0,0]=2 195 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [0,0,0,0,0,0|2,0,0]=2 196 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [0,0,0,0,0,0|2,0,0]=2 197 B12R0.234 C=CCCCCOCCCC(=O)N 34a_100000766645_100102525003 [0,0,0,0,0,0|2,0,0]=2 198 B12R0.234 C=CCCCCOCCCC(=O)N 7a_100000766645_100102525003 [0,0,0,0,0,0|2,0,0]=2 199 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000210774_100011215482 [0,0,0,0,0,0|3,0,1]=4 200 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000766645_100011214892 [0,0,0,0,0,0|3,0,1]=4 201 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000210774_100011215482 [0,0,0,0,0,0|3,0,1]=4 202 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000766645_100011214892 [0,0,0,0,0,0|3,0,1]=4 203 B12R0.234 C=CCCCCOCCCC(C)O 34a_100000766645_200000718107 [0,0,0,0,0,0|2,0,1]=3 204 B12R0.234 C=CCCCCOCCCC(C)O 7a_100000766645_200000718107 [0,0,0,0,0,0|2,0,1]=3 205 B12R0.234 C=CCCCCOCCCN(C)C 7a_100000766645_100000757444 [0,0,0,0,0,0|4,0,0]=4 206 B12R0.234 C=CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011215482 [0,0,0,0,0,0|2,0,1]=3 207 B12R0.234 C=CCCCCOCCNC(=O)C 34a_100000158858_100011215482 [0,0,0,0,0,0|3,0,0]=3 208 B12R0.234 C=CCCCCOCCNC(=O)C 7a_100000766645_100000189650 [0,0,0,0,0,0|3,0,0]=3 209 B12R0.234 C=CCCCCOCCNC(=O)N 34a_100000181757_100011215482 [0,0,0,0,0,0|3,0,0]=3 210 B12R0.234 C=CCCCCOCCNC(=O)N 7a_100000766645_200000034859 [0,0,0,0,0,0|3,0,0]=3 211 B12R0.234 C=CCCCCOCCOC(=O)C 34a_100000766645_100009814007 [0,0,0,0,0,0|3,0,0]=3 212 B12R0.234 C=CCCCCOCCOC(=O)C 7a_100000766645_100009814007 [0,0,0,0,0,0|3,0,0]=3 213 B12R0.234 C=CCCCCOCCOC(=O)N 34a_100000766645_200011214921 [0,0,0,0,0,0|3,0,0]=3 214 B12R0.234 C=CCCCCOCCOC(=O)N 7a_100000766645_200011214921 [0,0,0,0,0,0|3,0,0]=3 215 B12R0.234 C=CCCCCOCCOC(=O)N 7a_100000766696_100011215482 [0,0,0,0,0,0|3,0,0]=3 216 B12R0.234 C=CCCCCSCCC=C(C)C 62a_100011215482_100011217483 [0,0,0,0,0,0|3,0,1]=4 217 B12R0.234 C=CCCCCSCCC=C(C)C 62a_100011217483_100011215482 [0,0,0,0,0,0|3,0,1]=4 218 B12R0.234 C=CCCCCSCCC=C(F)F 62a_100011215482_200009816681 [0,0,0,0,0,0|3,0,1]=4 219 B12R0.234 C=CCCCCSCCC=C(F)F 62a_200009816681_100011215482 [0,0,0,0,0,0|3,0,1]=4 220 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215482_100011215641 [0,0,0,0,0,0|2,0,0]=2 221 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215641_100011215482 [0,0,0,0,0,0|2,0,0]=2 222 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100011215482_100102525003 [0,0,0,0,0,0|2,0,0]=2 223 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100102525003_100011215482 [0,0,0,0,0,0|2,0,0]=2 224 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011214892_100011215482 [0,0,0,0,0,0|3,0,1]=4 225 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011215482_100011214892 [0,0,0,0,0,0|3,0,1]=4 226 B12R0.234 C=CCCCCSCCCC(C)O 62a_100011215482_200000718107 [0,0,0,0,0,0|2,0,1]=3 227 B12R0.234 C=CCCCCSCCCC(C)O 62a_200000718107_100011215482 [0,0,0,0,0,0|2,0,1]=3 228 B12R0.234 C=CCCCCSCCCN(C)C 62a_100011215482_100000757444 [0,0,0,0,0,0|4,0,0]=4 229 B12R0.234 C=CCCCCSCCNC(=O)C 62a_100000189650_100011215482 [0,0,0,0,0,0|3,0,0]=3 230 B12R0.234 C=CCCCCSCCNC(=O)C 62a_100011215482_100000189650 [0,0,0,0,0,0|3,0,0]=3 231 B12R0.234 C=CCCCCSCCNC(=O)N 62a_100011215482_200000034859 [0,0,0,0,0,0|3,0,0]=3 232 B12R0.234 C=CCCCCSCCNC(=O)N 62a_200000034859_100011215482 [0,0,0,0,0,0|3,0,0]=3 233 B12R0.234 C=CCCCCSCCOC(=O)C 62a_100009814007_100011215482 [0,0,0,0,0,0|3,0,0]=3 234 B12R0.234 C=CCCCCSCCOC(=O)C 62a_100011215482_100009814007 [0,0,0,0,0,0|3,0,0]=3 235 B12R0.234 C=CCCCCSCCOC(=O)N 62a_100011215482_200011214921 [0,0,0,0,0,0|3,0,0]=3 236 B12R0.234 C=CCCCCSCCOC(=O)N 62a_200011214921_100011215482 [0,0,0,0,0,0|3,0,0]=3 237 B12R0.234 C=CCCCNCCCCB(O)O 2230a_100000700776_200009817182 [0,0,0,0,0,0|2,0,1]=3 238 B12R0.234 C=CCCCNCCCCB(O)O 34a_100000700776_200009817182 [0,0,0,0,0,0|2,0,1]=3 239 B12R0.234 C=CCCCNCCCCC(=O)C 34a_100000700776_100009817362 [0,0,0,0,0,0|2,0,0]=2 240 B12R0.234 C=CCCCNCCCCC(=O)N 34a_100000696515_100000757094 [0,0,0,0,0,0|2,0,0]=2 241 B12R0.234 C=CCCCNCCCCC(C)C 2230a_100000700776_100011216152 [0,0,0,0,0,0|3,0,1]=4 242 B12R0.234 C=CCCCNCCCCC(C)C 34a_100000700776_100011216152 [0,0,0,0,0,0|3,0,1]=4 243 B12R0.234 C=CCCCNCCCNC(=O)C 34a_100000736810_100000757094 [0,0,0,0,0,0|3,0,0]=3 244 B12R0.234 C=CCCCNCCCOC(=O)C 34a_100000700776_100000042594 [0,0,0,0,0,0|3,0,0]=3 245 B12R0.234 C=CCCCNCCCOC(=S)C 2230a_100000700776_200135323944 [0,0,0,0,0,0|3,1,0]=4 246 B12R0.234 C=CCCCNCCCOC(=S)C 34a_100000700776_200135323944 [0,0,0,0,0,0|3,1,0]=4 247 B12R0.234 C=CCCCNCCCSC(=O)C 2230a_100000700776_100000038929 [0,0,0,0,0,0|3,0,0]=3 248 B12R0.234 C=CCCCNCCCSC(=O)C 34a_100000700776_100000038929 [0,0,0,0,0,0|3,0,0]=3 249 B12R0.234 C=CCCCNCCOCC(=O)N 2230a_100000700776_100000076697 [0,0,0,0,0,0|3,0,0]=3 250 B12R0.234 C=CCCCNCCOCC(=O)N 34a_100000700776_100000076697 [0,0,0,0,0,0|3,0,0]=3 251 B12R0.234 C=CCCCNCCOCC(=O)O 269956a_100000700818_100011713584 [0,0,0,0,0,0|2,0,0]=2 252 B12R0.234 C=CCCCOCCCCB(O)O 34a_100000758997_200009817182 [0,0,0,0,0,0|2,0,1]=3 253 B12R0.234 C=CCCCOCCCCB(O)O 7a_100000758997_200009817182 [0,0,0,0,0,0|2,0,1]=3 254 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [0,0,0,0,0,0|2,0,0]=2 255 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [0,0,0,0,0,0|2,0,0]=2 256 B12R0.234 C=CCCCOCCCCC(=O)N 34a_100012022536_100000757094 [0,0,0,0,0,0|2,0,0]=2 257 B12R0.234 C=CCCCOCCCCC(=O)N 7a_100012022536_100000757094 [0,0,0,0,0,0|2,0,0]=2 258 B12R0.234 C=CCCCOCCCCC(C)C 34a_100000758997_100011216152 [0,0,0,0,0,0|3,0,1]=4 259 B12R0.234 C=CCCCOCCCCC(C)C 34a_100011214890_100000757094 [0,0,0,0,0,0|3,0,1]=4 260 B12R0.234 C=CCCCOCCCCC(C)C 7a_100000758997_100011216152 [0,0,0,0,0,0|3,0,1]=4 261 B12R0.234 C=CCCCOCCCCC(C)C 7a_100011214890_100000757094 [0,0,0,0,0,0|3,0,1]=4 262 B12R0.234 C=CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000757094 [0,0,0,0,0,0|2,0,1]=3 263 B12R0.234 C=CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000757094 [0,0,0,0,0,0|2,0,1]=3 264 B12R0.234 C=CCCCOCCCNC(=O)C 34a_100000752032_100000757094 [0,0,0,0,0,0|3,0,0]=3 265 B12R0.234 C=CCCCOCCCOC(=O)C 34a_100000758997_100000042594 [0,0,0,0,0,0|3,0,0]=3 266 B12R0.234 C=CCCCOCCCOC(=O)C 7a_100000758997_100000042594 [0,0,0,0,0,0|3,0,0]=3 267 B12R0.234 C=CCCCOCCCOC(=S)C 34a_100000758997_200135323944 [0,0,0,0,0,0|3,1,0]=4 268 B12R0.234 C=CCCCOCCCOC(=S)C 7a_100000758997_200135323944 [0,0,0,0,0,0|3,1,0]=4 269 B12R0.234 C=CCCCOCCCSC(=O)C 34a_100000758997_100000038929 [0,0,0,0,0,0|3,0,0]=3 270 B12R0.234 C=CCCCOCCCSC(=O)C 7a_100000758997_100000038929 [0,0,0,0,0,0|3,0,0]=3 271 B12R0.234 C=CCCCOCCOCC(=O)N 34a_100000758997_100000076697 [0,0,0,0,0,0|3,0,0]=3 272 B12R0.234 C=CCCCOCCOCC(=O)N 7a_100000758997_100000076697 [0,0,0,0,0,0|3,0,0]=3 273 B12R0.234 C=CCCCSCCCCB(O)O 62a_100011713584_200009817182 [0,0,0,0,0,0|2,0,1]=3 274 B12R0.234 C=CCCCSCCCCB(O)O 62a_200009817182_100000757094 [0,0,0,0,0,0|2,0,1]=3 275 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100000735457_100000757094 [0,0,0,0,0,0|2,0,0]=2 276 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100011713584_100000735457 [0,0,0,0,0,0|2,0,0]=2 277 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011216152_100000757094 [0,0,0,0,0,0|3,0,1]=4 278 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011713584_100011216152 [0,0,0,0,0,0|3,0,1]=4 279 B12R0.234 C=CCCCSCCCCN(C)C 62a_100011713584_100000690147 [0,0,0,0,0,0|4,0,0]=4 280 B12R0.234 C=CCCCSCCCOC(=O)C 62a_100000042594_100000757094 [0,0,0,0,0,0|3,0,0]=3 281 B12R0.234 C=CCCCSCCCOC(=O)C 62a_100011713584_100000042594 [0,0,0,0,0,0|3,0,0]=3 282 B12R0.234 C=CCCCSCCCOC(=S)C 62a_100011713584_200135323944 [0,0,0,0,0,0|3,1,0]=4 283 B12R0.234 C=CCCCSCCCOC(=S)C 62a_200135323944_100000757094 [0,0,0,0,0,0|3,1,0]=4 284 B12R0.234 C=CCCCSCCCSC(=O)C 62a_100000038929_100000757094 [0,0,0,0,0,0|3,0,0]=3 285 B12R0.234 C=CCCCSCCCSC(=O)C 62a_100011713584_100000038929 [0,0,0,0,0,0|3,0,0]=3 286 B12R0.234 C=CCCCSCCOCC(=O)N 62a_100000076697_100000757094 [0,0,0,0,0,0|3,0,0]=3 287 B12R0.234 C=CCCCSCCOCC(=O)N 62a_100011713584_100000076697 [0,0,0,0,0,0|3,0,0]=3 288 B12R0.234 C=CCCNCCCCCB(O)O 2230a_100015191253_200009817188 [0,0,0,0,0,0|2,0,1]=3 289 B12R0.234 C=CCCNCCCCCC(=O)N 2230a_100015191253_100009817443 [0,0,0,0,0,0|2,0,0]=2 290 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100011290863_100000754431 [0,0,0,0,0,0|3,0,1]=4 291 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100015191253_100000210682 [0,0,0,0,0,0|3,0,1]=4 292 B12R0.234 C=CCCNCCCCCC(C)C 34a_100011290863_100000754431 [0,0,0,0,0,0|3,0,1]=4 293 B12R0.234 C=CCCNCCCCNC(=O)C 2230a_200011368371_100000754431 [0,0,0,0,0,0|3,0,0]=3 294 B12R0.234 C=CCCNCCCCNC(=O)C 34a_200011368371_100000754431 [0,0,0,0,0,0|3,0,0]=3 295 B12R0.234 C=CCCNCCCCSC(=O)C 2230a_100015191253_200010402107 [0,0,0,0,0,0|3,0,0]=3 296 B12R0.234 C=CCCOCCCCCB(O)O 34a_100011205117_200009817188 [0,0,0,0,0,0|2,0,1]=3 297 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100000123541_100000754431 [0,0,0,0,0,0|2,0,0]=2 298 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100011205117_100009817443 [0,0,0,0,0,0|2,0,0]=2 299 B12R0.234 C=CCCOCCCCCC(=O)N 7a_100000123541_100000754431 [0,0,0,0,0,0|2,0,0]=2 300 B12R0.234 C=CCCOCCCCCC(=O)[O-] 7a_100102619762_100000754431 [0,0,0,0,0,0|1,0,1]=2 301 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011205117_100000210682 [0,0,0,0,0,0|3,0,1]=4 302 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011995859_100000754431 [0,0,0,0,0,0|3,0,1]=4 303 B12R0.234 C=CCCOCCCCCC(C)C 7a_100011995859_100000754431 [0,0,0,0,0,0|3,0,1]=4 304 B12R0.234 C=CCCOCCCCOC(=O)C 34a_100000073216_100000754431 [0,0,0,0,0,0|3,0,0]=3 305 B12R0.234 C=CCCOCCCCOC(=O)C 34a_100011205117_100000033659 [0,0,0,0,0,0|3,0,0]=3 306 B12R0.234 C=CCCOCCCCOC(=O)C 7a_100000073216_100000754431 [0,0,0,0,0,0|3,0,0]=3 307 B12R0.234 C=CCCOCCCCO[N+](=O)[O-] 34a_100011205117_100015694321 [0,0,0,0,0,0|3,0,1]=4 308 B12R0.234 C=CCCOCCCCSC(=O)C 34a_100011205117_200010402107 [0,0,0,0,0,0|3,0,0]=3 309 B12R0.234 C=CCCOCOCCOC(=O)C 34a_100011205117_100000076355 [0,0,0,0,0,0|4,0,0]=4 310 B12R0.234 C=CCCSCCCCCB(O)O 62a_100000754431_200009817188 [0,0,0,0,0,0|2,0,1]=3 311 B12R0.234 C=CCCSCCCCCB(O)O 62a_200009817188_100000754431 [0,0,0,0,0,0|2,0,1]=3 312 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100000754431_100009817443 [0,0,0,0,0,0|2,0,0]=2 313 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100009817443_100000754431 [0,0,0,0,0,0|2,0,0]=2 314 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000210682_100000754431 [0,0,0,0,0,0|3,0,1]=4 315 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000754431_100000210682 [0,0,0,0,0,0|3,0,1]=4 316 B12R0.234 C=CCCSCCCCOC(=O)C 62a_100000033659_100000754431 [0,0,0,0,0,0|3,0,0]=3 317 B12R0.234 C=CCCSCCCCOC(=O)C 62a_100000754431_100000033659 [0,0,0,0,0,0|3,0,0]=3 318 B12R0.234 C=CCCSCCCCO[N+](=O)[O-] 62a_100000754431_100015694321 [0,0,0,0,0,0|3,0,1]=4 319 B12R0.234 C=CCCSCCCCSC(=O)C 62a_100000754431_200010402107 [0,0,0,0,0,0|3,0,0]=3 320 B12R0.234 C=CCCSCCCCSC(=O)C 62a_200010402107_100000754431 [0,0,0,0,0,0|3,0,0]=3 321 B12R0.234 C=CCCSCOCCOC(=O)C 62a_100000076355_100000754431 [0,0,0,0,0,0|4,0,0]=4 322 B12R0.234 C=CCCSCOCCOC(=O)C 62a_100000754431_100000076355 [0,0,0,0,0,0|4,0,0]=4 323 B12R0.234 C=CCNCCCCCCB(O)O 2230a_100020586998_100009817187 [0,0,0,0,0,0|2,0,1]=3 324 B12R0.234 C=CCNCCCCCCC(C)C 2230a_100000211014_100000210623 [0,0,0,0,0,0|3,0,1]=4 325 B12R0.234 C=CCNCCCCCCC(C)C 34a_100000211014_100015514636 [0,0,0,0,0,0|3,0,1]=4 326 B12R0.234 C=CCNCCCCCNC(=O)C 2230a_200012022750_100000210623 [0,0,0,0,0,0|3,0,0]=3 327 B12R0.234 C=CCNCCCCCNC(=O)C 34a_200012022750_100015514636 [0,0,0,0,0,0|3,0,0]=3 328 B12R0.234 C=CCNCCCCCOC(=O)C 2230a_100020586998_100009813381 [0,0,0,0,0,0|3,0,0]=3 329 B12R0.234 C=CCNCCOCCOC(=O)C 2230a_100020586998_200000083610 [0,0,0,0,0,0|4,0,0]=4 330 B12R0.234 C=CCOCCCCCCB(O)O 34a_200000210373_100009817187 [0,0,0,0,0,0|2,0,1]=3 331 B12R0.234 C=CCOCCCCCOC(=O)C 34a_200000210373_100000033007 [0,0,0,0,0,0|3,0,0]=3 332 B12R0.234 C=CCOCCOCCCC(=O)C 34a_100000037705_100000685027 [0,0,0,0,0,0|3,0,0]=3 333 B12R0.234 C=CCOCCOCCCC(=O)C 7a_100000037705_100011215641 [0,0,0,0,0,0|3,0,0]=3 334 B12R0.234 C=CCOCCOCCCC(=O)N 34a_100000037705_100102525003 [0,0,0,0,0,0|3,0,0]=3 335 B12R0.234 C=CCOCCOCCCC(=O)N 7a_100000037705_100102525003 [0,0,0,0,0,0|3,0,0]=3 336 B12R0.234 C=CCOCCOCCCC(C)O 34a_100000037705_200000718107 [0,0,0,0,0,0|3,0,1]=4 337 B12R0.234 C=CCOCCOCCCC(C)O 7a_100000037705_200000718107 [0,0,0,0,0,0|3,0,1]=4 338 B12R0.234 C=CCOCCOCCNC(=O)C 7a_100000037705_100000189650 [0,0,0,0,0,0|4,0,0]=4 339 B12R0.234 C=CCOCCOCCNC(=O)N 7a_100000037705_200000034859 [0,0,0,0,0,0|4,0,0]=4 340 B12R0.234 C=CCOCCOCCOC(=O)C 34a_100000037705_100009814007 [0,0,0,0,0,0|4,0,0]=4 341 B12R0.234 C=CCOCCOCCOC(=O)C 34a_200000210373_200000083610 [0,0,0,0,0,0|4,0,0]=4 342 B12R0.234 C=CCOCCOCCOC(=O)C 7a_100000037705_100009814007 [0,0,0,0,0,0|4,0,0]=4 343 B12R0.234 C=CCOCCOCCOC(=O)N 34a_100000037705_200011214921 [0,0,0,0,0,0|4,0,0]=4 344 B12R0.234 C=CCOCCOCCOC(=O)N 7a_100000037705_200011214921 [0,0,0,0,0,0|4,0,0]=4 345 B12R0.234 C=CCSCCCCCCB(O)O 62a_100000210623_100009817187 [0,0,0,0,0,0|2,0,1]=3 346 B12R0.234 C=CCSCCCCCCB(O)O 62a_100009817187_100000210623 [0,0,0,0,0,0|2,0,1]=3 347 B12R0.234 C=CCSCCCCCOC(=O)C 62a_100000033007_100000210623 [0,0,0,0,0,0|3,0,0]=3 348 B12R0.234 C=CCSCCCCCOC(=O)C 62a_100000210623_100000033007 [0,0,0,0,0,0|3,0,0]=3 349 B12R0.234 C=CCSCCOCCOC(=O)C 62a_100000210623_200000083610 [0,0,0,0,0,0|4,0,0]=4 350 B12R0.234 C=CCSCCOCCOC(=O)C 62a_200000083610_100000210623 [0,0,0,0,0,0|4,0,0]=4 351 B12R0.234 C=COCCCCOCCC(=C)C 34a_100000031558_100000730704 [0,0,0,0,0,0|4,0,0]=4 352 B12R0.234 C=COCCCCOCCC(=C)C 7a_100000031558_100000730704 [0,0,0,0,0,0|4,0,0]=4 353 B12R0.234 C=COCCCCOCCC(=O)C 7a_100000031558_100000053229 [0,0,0,0,0,0|3,0,0]=3 354 B12R0.234 C=COCCCCOCCC(=O)N 34a_100000031558_100000731001 [0,0,0,0,0,0|3,0,0]=3 355 B12R0.234 C=COCCCCOCCC(=O)N 7a_100000031558_100000744528 [0,0,0,0,0,0|3,0,0]=3 356 B12R0.234 C=COCCCCOCCC(C)O 34a_100000031558_100012276601 [0,0,0,0,0,0|3,0,1]=4 357 B12R0.234 C=COCCCCOCCC(C)O 7a_100000031558_100012276601 [0,0,0,0,0,0|3,0,1]=4 358 B12R0.234 C=COCCCCOCOC(=O)C 34a_100000031558_100009813279 [0,0,0,0,0,0|4,0,0]=4 359 B12R0.234 C=COCCCNCCCC(=O)C 34a_100000210767_100000685027 [0,0,0,0,0,0|3,0,0]=3 360 B12R0.234 C=COCCCNCCCC(=O)N 34a_100000210767_100102525003 [0,0,0,0,0,0|3,0,0]=3 361 B12R0.234 C=COCCCNCCCC(C)O 2230a_100000210767_200000718107 [0,0,0,0,0,0|3,0,1]=4 362 B12R0.234 C=COCCCNCCCC(C)O 34a_100000210767_200000718107 [0,0,0,0,0,0|3,0,1]=4 363 B12R0.234 C=COCCCNCCNC(=O)C 2230a_100000210767_100000189650 [0,0,0,0,0,0|4,0,0]=4 364 B12R0.234 C=COCCCNCCNC(=O)N 2230a_100000210767_200000034859 [0,0,0,0,0,0|4,0,0]=4 365 B12R0.234 C=COCCCNCCOC(=O)C 34a_100000210767_100009814007 [0,0,0,0,0,0|4,0,0]=4 366 B12R0.234 C=COCCCNCCOC(=O)N 34a_100000210767_200011214921 [0,0,0,0,0,0|4,0,0]=4 367 B12R0.234 C=COCCNCCCCC(=O)N 34a_100000696515_100000039644 [0,0,0,0,0,0|3,0,0]=3 368 B12R0.234 C=COCCNCCCNC(=O)C 34a_100000736810_100000039644 [0,0,0,0,0,0|4,0,0]=4 369 B12R0.234 C=COCCNCCOCC(=O)O 269956a_100000700818_100000039644 [0,0,0,0,0,0|3,0,0]=3 370 B12R0.234 C=COCCOCCCCB(O)O 34a_100000033082_200009817182 [0,0,0,0,0,0|3,0,1]=4 371 B12R0.234 C=COCCOCCCCC(=O)C 34a_100000033082_100009817362 [0,0,0,0,0,0|3,0,0]=3 372 B12R0.234 C=COCCOCCCCC(=O)N 34a_100012022536_100000039644 [0,0,0,0,0,0|3,0,0]=3 373 B12R0.234 C=COCCOCCCCC(=O)N 7a_100012022536_100000039644 [0,0,0,0,0,0|3,0,0]=3 374 B12R0.234 C=COCCOCCCC[N+](=O)[O-] 34a_200015379883_100000039644 [0,0,0,0,0,0|3,0,1]=4 375 B12R0.234 C=COCCOCCCC[N+](=O)[O-] 7a_200015379883_100000039644 [0,0,0,0,0,0|3,0,1]=4 376 B12R0.234 C=COCCOCCCNC(=O)C 34a_100000752032_100000039644 [0,0,0,0,0,0|4,0,0]=4 377 B12R0.234 C=COCCOCCCOC(=O)C 34a_100000033082_100000042594 [0,0,0,0,0,0|4,0,0]=4 378 B12R0.234 C=COCCOCCCSC(=O)C 34a_100000033082_100000038929 [0,0,0,0,0,0|4,0,0]=4 379 B12R0.234 C=COCCOCCOCC(=O)N 34a_100000033082_100000076697 [0,0,0,0,0,0|4,0,0]=4 380 B12R0.234 C=COCCOCCOCC(=O)N 34a_100000039918_100000187820 [0,0,0,0,0,0|4,0,0]=4 381 B12R0.234 C=COCCOCCOCC(=O)N 7a_100000039918_100000187820 [0,0,0,0,0,0|4,0,0]=4 382 B12R0.234 C=COCCOCCOCC(=O)[O-] 34a_100000039918_100020667443 [0,0,0,0,0,0|3,0,1]=4 383 B12R0.234 C=COCCSCCCCB(O)O 62a_100000039644_200009817182 [0,0,0,0,0,0|3,0,1]=4 384 B12R0.234 C=COCCSCCCCB(O)O 62a_200009817182_100000039644 [0,0,0,0,0,0|3,0,1]=4 385 B12R0.234 C=COCCSCCCCC(=O)C 62a_100000039644_100000735457 [0,0,0,0,0,0|3,0,0]=3 386 B12R0.234 C=COCCSCCCCC(=O)C 62a_100000735457_100000039644 [0,0,0,0,0,0|3,0,0]=3 387 B12R0.234 C=COCCSCCCOC(=O)C 62a_100000039644_100000042594 [0,0,0,0,0,0|4,0,0]=4 388 B12R0.234 C=COCCSCCCOC(=O)C 62a_100000042594_100000039644 [0,0,0,0,0,0|4,0,0]=4 389 B12R0.234 C=COCCSCCCSC(=O)C 62a_100000038929_100000039644 [0,0,0,0,0,0|4,0,0]=4 390 B12R0.234 C=COCCSCCCSC(=O)C 62a_100000039644_100000038929 [0,0,0,0,0,0|4,0,0]=4 391 B12R0.234 C=COCCSCCOCC(=O)N 62a_100000039644_100000076697 [0,0,0,0,0,0|4,0,0]=4 392 B12R0.234 C=COCCSCCOCC(=O)N 62a_100000076697_100000039644 [0,0,0,0,0,0|4,0,0]=4 393 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [0,0,0,0,0,0|1,0,3]=4 394 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [0,0,0,0,0,0|1,0,3]=4 395 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,0,0,0,0,0|2,0,1]=3 396 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,0,0,0,0,0|2,0,1]=3 397 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,0,0,0,0,0|3,0,1]=4 398 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,0,0,0,0,0|3,0,1]=4 399 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,0,0,0,0,0|3,0,1]=4 400 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,0,0,0,0,0|3,0,1]=4 401 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,0,0,0,0,0|3,0,1]=4 402 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,0,0,0,0,0|3,0,1]=4 403 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,0,0,0,0,0|3,0,1]=4 404 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,0,0,0,0,0|3,0,1]=4 405 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000687738_100000735457 [0,0,0,0,0,0|3,0,1]=4 406 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000735457_100000687738 [0,0,0,0,0,0|3,0,1]=4 407 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [0,0,0,0,0,0|3,0,0]=3 408 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [0,0,0,0,0,0|3,0,0]=3 409 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,0,0,0,0,0|3,0,1]=4 410 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,0,0,0,0,0|3,0,1]=4 411 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,0,0,0,0,0|3,0,1]=4 412 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,0,0,0,0,0|3,0,1]=4 413 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,0,0,0,0,0|3,0,1]=4 414 B12R0.234 CC(=O)CCCOCCCCC#N 7a_100000759063_100000211819 [0,0,0,0,0,0|3,0,1]=4 415 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [0,0,0,0,0,0|3,0,0]=3 416 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,0,0,0,0,0|3,0,1]=4 417 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,0,0,0,0,0|3,0,1]=4 418 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,0,0,0,0,0|3,0,1]=4 419 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,0,0,0,0,0|3,0,1]=4 420 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,0,0,0,0,0|3,0,1]=4 421 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,0,0,0,0,0|3,0,1]=4 422 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,0,0,0,0,0|3,0,1]=4 423 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,0,0,0,0,0|3,0,1]=4 424 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,0,0,0,0,0|3,0,1]=4 425 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,0,0,0,0,0|3,0,1]=4 426 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,0,0,0,0,0|3,0,1]=4 427 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011215641_100000211819 [0,0,0,0,0,0|3,0,1]=4 428 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011219923_100011215641 [0,0,0,0,0,0|3,0,1]=4 429 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [0,0,0,0,0,0|3,0,0]=3 430 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [0,0,0,0,0,0|3,0,0]=3 431 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,0,0,0,0,0|3,0,1]=4 432 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,0,0,0,0,0|3,0,1]=4 433 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,0,0,0,0,0|3,0,1]=4 434 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,0,0,0,0,0|3,0,1]=4 435 B12R0.234 CC(=O)CCOCCCCCC#N 7a_100000759926_100009813376 [0,0,0,0,0,0|3,0,1]=4 436 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [0,0,0,0,0,0|3,0,0]=3 437 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,0,0,0,0,0|3,0,1]=4 438 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,0,0,0,0,0|3,0,1]=4 439 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,0,0,0,0,0|3,0,1]=4 440 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,0,0,0,0,0|3,0,1]=4 441 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,0,0,0,0,0|3,0,1]=4 442 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,0,0,0,0,0|3,0,1]=4 443 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,0,0,0,0,0|3,0,1]=4 444 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100000053229_100009813376 [0,0,0,0,0,0|3,0,1]=4 445 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100009813376_100000053229 [0,0,0,0,0,0|3,0,1]=4 446 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [0,0,0,0,0,0|3,0,0]=3 447 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [0,0,0,0,0,0|3,0,0]=3 448 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,0,0,0,0,0|3,0,1]=4 449 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,0,0,0,0,0|3,0,1]=4 450 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,0,0,0,0,0|3,0,1]=4 451 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,0,0,0,0,0|3,0,1]=4 452 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,0,0,0,0,0|3,0,1]=4 453 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,0,0,0,0,0|3,0,1]=4 454 B12R0.234 CC(=O)NCCCCCNCC=O 2230a_200012022750_200015260668 [0,0,0,0,0,0|4,0,0]=4 455 B12R0.234 CC(=O)NCCCCCNCC=O 34a_200012022750_200009817547 [0,0,0,0,0,0|4,0,0]=4 456 B12R0.234 CC(=O)NCCNCCCCC=O 2230a_100000209853_100000139335 [0,0,0,0,0,0|4,0,0]=4 457 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000139335_100000189650 [0,0,0,0,0,0|4,0,0]=4 458 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000189650_100000139335 [0,0,0,0,0,0|4,0,0]=4 459 B12R0.234 CC(=O)OCCCCCSCC=O 62a_100000033007_200015260668 [0,0,0,0,0,0|4,0,0]=4 460 B12R0.234 CC(=O)OCCCCCSCC=O 62a_200015260668_100000033007 [0,0,0,0,0,0|4,0,0]=4 461 B12R0.234 CC(=O)OCCCSCCCC=O 62a_100000042594_200011292268 [0,0,0,0,0,0|4,0,0]=4 462 B12R0.234 CC(=O)OCCCSCCCC=O 62a_200011292268_100000042594 [0,0,0,0,0,0|4,0,0]=4 463 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100000139335_100009814007 [0,0,0,0,0,0|4,0,0]=4 464 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100009814007_100000139335 [0,0,0,0,0,0|4,0,0]=4 465 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000076356_100000139337 [0,0,0,0,0,0|4,0,0]=4 466 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000139337_100000076356 [0,0,0,0,0,0|4,0,0]=4 467 B12R0.234 CC(=O)SCCCSCCCC=O 62a_100000038929_200011292268 [0,0,0,0,0,0|4,0,0]=4 468 B12R0.234 CC(=O)SCCCSCCCC=O 62a_200011292268_100000038929 [0,0,0,0,0,0|4,0,0]=4 469 B12R0.234 CC(O)CCCSCCCCC=O 62a_100000139335_200000718107 [0,0,0,0,0,0|3,0,1]=4 470 B12R0.234 CC(O)CCCSCCCCC=O 62a_200000718107_100000139335 [0,0,0,0,0,0|3,0,1]=4 471 B12R0.234 CC(O)CCNCCCCCC=O 2230a_200000755665_100000139337 [0,0,0,0,0,0|3,0,1]=4 472 B12R0.234 CC(O)CCSCCCCCC=O 62a_100000139337_100012276601 [0,0,0,0,0,0|3,0,1]=4 473 B12R0.234 CC(O)CCSCCCCCC=O 62a_100012276601_100000139337 [0,0,0,0,0,0|3,0,1]=4 474 B12R0.234 CC=CCCCOCCCC(=O)C 34a_100020645299_100000685027 [0,0,0,0,0,0|2,0,2]=4 475 B12R0.234 CC=CCCCOCCCC(=O)N 34a_100020645299_100102525003 [0,0,0,0,0,0|2,0,2]=4 476 B12R0.234 CC=CCOCCCCCC(=O)N 34a_100000123541_100000070051 [0,0,0,0,0,0|2,0,2]=4 477 B12R0.234 CC=CCOCCCCCC(=O)N 7a_100000123541_100000070051 [0,0,0,0,0,0|2,0,2]=4 478 B12R0.234 CC=CCOCCCCCC(=O)[O-] 7a_100102619762_100000070051 [0,0,0,0,0,0|1,0,3]=4 479 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100000070051_100009817443 [0,0,0,0,0,0|2,0,2]=4 480 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100009817443_100000070051 [0,0,0,0,0,0|2,0,2]=4 481 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,0,0,0,0,0|1,0,2]=3 482 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,0,0,0,0,0|1,0,2]=3 483 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,0,0,0,0,0|1,0,2]=3 484 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,0,0,0,0,0|2,0,2]=4 485 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,0,0,0,0,0|2,0,2]=4 486 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,0,0,0,0,0|2,0,2]=4 487 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,0,0,0,0,0|2,0,2]=4 488 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,0,0,0,0,0|2,0,2]=4 489 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,0,0,0,0,0|2,0,2]=4 490 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,0,0,0,0,0|2,0,2]=4 491 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,0,0,0,0,0|1,0,2]=3 492 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,0,0,0,0,0|1,0,3]=4 493 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,0,0,0,0,0|2,0,2]=4 494 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,0,0,0,0,0|2,0,2]=4 495 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,0,0,0,0,0|2,0,2]=4 496 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,0,0,0,0,0|2,0,2]=4 497 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,0,0,0,0,0|2,0,2]=4 498 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,0,0,0,0,0|1,0,3]=4 499 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,0,0,0,0,0|2,0,2]=4 500 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,0,0,0,0,0|2,0,2]=4 501 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,0,0,0,0,0|1,0,3]=4 502 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,0,0,0,0,0|1,0,3]=4 503 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,0,0,0,0,0|2,0,2]=4 504 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,0,0,0,0,0|2,0,2]=4 505 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,0,0,0,0,0|2,0,2]=4 506 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,0,0,0,0,0|2,0,2]=4 507 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,0,0,0,0,0|2,0,2]=4 508 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,0,0,0,0,0|2,0,2]=4 509 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,0,0,0,0,0|2,0,2]=4 510 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,0,0,0,0,0|2,0,2]=4 511 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,0,0,0,0,0|2,0,2]=4 512 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,0,0,0,0,0|2,0,2]=4 513 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,0,0,0,0,0|2,0,2]=4 514 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,0,0,0,0,0|2,0,2]=4 515 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,0,0,0,0,0|2,0,2]=4 516 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,0,0,0,0,0|2,0,2]=4 517 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,0,0,0,0,0|2,0,2]=4 518 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,0,0,0,0,0|2,0,2]=4 519 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,0,0,0,0,0|2,0,2]=4 520 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,0,0,0,0,0|2,0,2]=4 521 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,0,0,0,0,0|2,0,2]=4 522 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,0,0,0,0,0|2,0,2]=4 523 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,0,0,0,0,0|2,0,2]=4 524 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,0,0,0,0,0|2,0,2]=4 525 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,0,0,0,0,0|2,0,2]=4 526 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,0,0,0,0,0|2,0,2]=4 527 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,0,0,0,0,0|2,0,2]=4 528 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,0,0,0,0,0|2,0,2]=4 529 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,0,0,0,0,0|2,0,2]=4 530 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,0,0,0,0,0|2,0,2]=4 531 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,0,0,0,0,0|2,0,2]=4 532 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,0,0,0,0,0|2,0,2]=4 533 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,0,0,0,0,0|2,0,2]=4 534 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,0,0,0,0,0|2,0,2]=4 535 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,0,0,0,0,0|2,0,2]=4 536 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,0,0,0,0,0|2,0,2]=4 537 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,0,0,0,0,0|2,0,2]=4 538 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,0,0,0,0,0|2,0,2]=4 539 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,0,0,0,0,0|2,0,2]=4 540 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,0,0,0,0,0|2,0,2]=4 541 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,0,0,0,0,0|1,0,3]=4 542 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,0,0,0,0,0|2,0,2]=4 543 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,0,0,0,0,0|2,0,2]=4 544 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [0,0,0,0,0,0|3,0,1]=4 545 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [0,0,0,0,0,0|3,0,1]=4 546 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [0,0,0,0,0,0|3,0,1]=4 547 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,0,0,0,0,0|2,0,1]=3 548 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,0,0,0,0,0|3,0,1]=4 549 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [0,0,0,0,0,0|3,0,1]=4 550 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [0,0,0,0,0,0|3,0,1]=4 551 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [0,0,0,0,0,0|2,0,2]=4 552 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [0,0,0,0,0,0|3,0,1]=4 553 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [0,0,0,0,0,0|3,0,1]=4 554 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [0,0,0,0,0,0|2,0,2]=4 555 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [0,0,0,0,0,0|2,0,2]=4 556 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [0,0,0,0,0,0|3,0,1]=4 557 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [0,0,0,0,0,0|3,0,1]=4 558 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [0,0,0,0,0,0|3,0,1]=4 559 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,0,0,0,0,0|3,0,1]=4 560 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,0,0,0,0,0|3,0,1]=4 561 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,0,0,0,0,0|3,0,1]=4 562 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [0,0,0,0,0,0|3,0,1]=4 563 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,0,0,0,0,0|3,0,1]=4 564 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,0,0,0,0,0|3,0,1]=4 565 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [0,0,0,0,0,0|3,0,1]=4 566 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [0,0,0,0,0,0|3,0,1]=4 567 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [0,0,0,0,0,0|3,0,1]=4 568 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [0,0,0,0,0,0|3,0,1]=4 569 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [0,0,0,0,0,0|3,0,1]=4 570 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [0,0,0,0,0,0|3,0,1]=4 571 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [0,0,0,0,0,0|3,0,1]=4 572 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [0,0,0,0,0,0|3,0,1]=4 573 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [0,0,0,0,0,0|3,0,1]=4 574 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [0,0,0,0,0,0|3,0,1]=4 575 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [0,0,0,0,0,0|3,0,1]=4 576 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [0,0,0,0,0,0|3,0,1]=4 577 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [0,0,0,0,0,0|3,0,1]=4 578 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [0,0,0,0,0,0|3,0,1]=4 579 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [0,0,0,0,0,0|2,0,2]=4 580 B12R0.234 COCCOCCCNCC(=O)O 269956a_100016091260_100011216529 [0,0,0,0,0,0|3,0,1]=4 581 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [0,0,0,0,0,0|3,0,1]=4 582 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [0,0,0,0,0,0|3,0,1]=4 583 B12R0.234 CS(=O)CCCNCCCCC=O 2230a_200000753449_100000139335 [0,0,0,0,0,0|4,0,0]=4 584 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [0,0,0,0,0,0|3,0,1]=4 585 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [0,0,0,0,0,0|3,0,1]=4 586 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [0,0,0,0,0,0|3,0,1]=4 587 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [0,0,0,0,0,0|3,0,1]=4 588 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [0,0,0,0,0,0|3,0,1]=4 589 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [0,0,0,0,0,0|3,0,1]=4 590 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [0,0,0,0,0,0|3,0,1]=4 591 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [0,0,0,0,0,0|3,0,1]=4 592 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [0,0,0,0,0,0|3,0,1]=4 593 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [0,0,0,0,0,0|3,0,1]=4 594 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [0,0,0,0,0,0|3,0,1]=4 595 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [0,0,0,0,0,0|2,0,2]=4 596 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [0,0,0,0,0,0|3,0,1]=4 597 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [0,0,0,0,0,0|3,0,1]=4 598 B12R0.234 N#CCCCCCCNCC(=O)N 2230a_100000711301_100009813337 [0,0,0,0,0,0|3,0,1]=4 599 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [0,0,0,0,0,0|2,0,1]=3 600 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100000747473_100009813337 [0,0,0,0,0,0|3,0,1]=4 601 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100009813337_100000747473 [0,0,0,0,0,0|3,0,1]=4 602 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100009813337_100020667443 [0,0,0,0,0,0|2,0,2]=4 603 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100020667443_100009813337 [0,0,0,0,0,0|2,0,2]=4 604 B12R0.234 N#CCCCCCNOCC(=O)O 269956a_100000106656_100009813376 [0,0,0,0,0,0|3,0,1]=4 605 B12R0.234 N#CCCCCCOCCC(=O)N 7a_100000757172_100009813376 [0,0,0,0,0,0|3,0,1]=4 606 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100000744528_100009813376 [0,0,0,0,0,0|3,0,1]=4 607 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100009813376_100000744528 [0,0,0,0,0,0|3,0,1]=4 608 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100011219923_100102525003 [0,0,0,0,0,0|3,0,1]=4 609 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100102525003_100000211819 [0,0,0,0,0,0|3,0,1]=4 610 B12R0.234 N#CCCCNCCOCC(=O)O 269956a_100000700818_100000687738 [0,0,0,0,0,0|3,0,1]=4 611 B12R0.234 N#CCCCOCCCCC(=O)N 7a_100012022536_100000687738 [0,0,0,0,0,0|3,0,1]=4 612 B12R0.234 N#CCCOCCCCCC(=O)N 7a_100000123541_100000184422 [0,0,0,0,0,0|3,0,1]=4 613 B12R0.234 N#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000184422 [0,0,0,0,0,0|2,0,2]=4 614 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100009817443_100011215226 [0,0,0,0,0,0|3,0,1]=4 615 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100011215226_100009817443 [0,0,0,0,0,0|3,0,1]=4 616 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [0,0,0,0,0,0|3,0,1]=4 617 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [0,0,0,0,0,0|3,0,1]=4 618 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [0,0,0,0,0,0|3,0,1]=4 619 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [0,0,0,0,0,0|3,0,1]=4 620 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [0,0,0,0,0,0|3,0,1]=4 621 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [0,0,0,0,0,0|3,0,1]=4 622 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [0,0,0,0,0,0|3,0,1]=4 623 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,0,0,0,0,0|3,0,1]=4 624 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,0,0,0,0,0|3,0,1]=4 625 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [0,0,0,0,0,0|3,0,1]=4 626 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [0,0,0,0,0,0|3,0,1]=4 627 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [0,0,0,0,0,0|3,0,1]=4 628 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [0,0,0,0,0,0|3,0,1]=4 629 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [0,0,0,0,0,0|3,0,1]=4 630 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [0,0,0,0,0,0|3,0,1]=4 631 B12R0.234 NC(=O)CCCCOCCCC=O 7a_100012022536_200011292268 [0,0,0,0,0,0|3,0,0]=3 632 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [0,0,0,0,0,0|3,0,1]=4 633 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [0,0,0,0,0,0|3,0,1]=4 634 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,0,0,0,0,0|3,0,1]=4 635 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,0,0,0,0,0|3,0,1]=4 636 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [0,0,0,0,0,0|3,0,1]=4 637 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,0,0,0,0,0|3,0,1]=4 638 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,0,0,0,0,0|3,0,1]=4 639 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [0,0,0,0,0,0|3,0,1]=4 640 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [0,0,0,0,0,0|3,0,1]=4 641 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [0,0,0,0,0,0|3,0,1]=4 642 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [0,0,0,0,0,0|3,0,1]=4 643 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [0,0,0,0,0,0|3,0,1]=4 644 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [0,0,0,0,0,0|3,0,1]=4 645 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100000139335_100102525003 [0,0,0,0,0,0|3,0,0]=3 646 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100102525003_100000139335 [0,0,0,0,0,0|3,0,0]=3 647 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [0,0,0,0,0,0|3,0,1]=4 648 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [0,0,0,0,0,0|3,0,1]=4 649 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,0,0,0,0,0|3,0,1]=4 650 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,0,0,0,0,0|3,0,1]=4 651 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,0,0,0,0,0|3,0,1]=4 652 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,0,0,0,0,0|3,0,1]=4 653 B12R0.234 NC(=O)CCOCCCCCC=O 7a_100000757172_100000139337 [0,0,0,0,0,0|3,0,0]=3 654 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [0,0,0,0,0,0|3,0,1]=4 655 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [0,0,0,0,0,0|3,0,1]=4 656 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [0,0,0,0,0,0|3,0,1]=4 657 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [0,0,0,0,0,0|3,0,1]=4 658 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [0,0,0,0,0,0|3,0,1]=4 659 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [0,0,0,0,0,0|3,0,1]=4 660 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [0,0,0,0,0,0|3,0,1]=4 661 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [0,0,0,0,0,0|3,0,1]=4 662 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,0,0,0,0,0|3,0,1]=4 663 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,0,0,0,0,0|3,0,1]=4 664 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000139337_100000744528 [0,0,0,0,0,0|3,0,0]=3 665 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000744528_100000139337 [0,0,0,0,0,0|3,0,0]=3 666 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [0,0,0,0,0,0|3,0,1]=4 667 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [0,0,0,0,0,0|3,0,1]=4 668 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,0,0,0,0,0|3,0,1]=4 669 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,0,0,0,0,0|3,0,1]=4 670 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,0,0,0,0,0|3,0,1]=4 671 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,0,0,0,0,0|3,0,1]=4 672 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,0,0,0,0,0|3,0,1]=4 673 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [0,0,0,0,0,0|3,0,1]=4 674 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [0,0,0,0,0,0|3,0,1]=4 675 B12R0.234 NC(=O)COCCSCCCC=O 62a_100000076697_200011292268 [0,0,0,0,0,0|4,0,0]=4 676 B12R0.234 NC(=O)COCCSCCCC=O 62a_200011292268_100000076697 [0,0,0,0,0,0|4,0,0]=4 677 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,0,0,0,0,0|3,0,1]=4 678 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,0,0,0,0,0|3,0,1]=4 679 B12R0.234 NC(=O)NCCSCCCCC=O 62a_100000139335_200000034859 [0,0,0,0,0,0|4,0,0]=4 680 B12R0.234 NC(=O)NCCSCCCCC=O 62a_200000034859_100000139335 [0,0,0,0,0,0|4,0,0]=4 681 B12R0.234 NC(=O)OCCOCCCCC=O 7a_100000766696_100000139335 [0,0,0,0,0,0|4,0,0]=4 682 B12R0.234 NC(=O)OCCSCCCCC=O 62a_100000139335_200011214921 [0,0,0,0,0,0|4,0,0]=4 683 B12R0.234 NC(=O)OCCSCCCCC=O 62a_200011214921_100000139335 [0,0,0,0,0,0|4,0,0]=4 684 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [0,0,0,0,0,0|3,0,1]=4 685 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,0,0,0,0,0|2,0,2]=4 686 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [0,0,0,0,0,0|3,0,1]=4 687 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [0,0,0,0,0,0|3,0,1]=4 688 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [0,0,0,0,0,0|3,0,1]=4 689 B12R0.234 NOCCOCCCCCC(=O)N 34a_100000700252_100009817443 [0,0,0,0,0,0|4,0,0]=4 690 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,0,0,0,0,0|2,0,1]=3 691 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [0,0,0,0,0,0|3,0,1]=4 692 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [0,0,0,0,0,0|3,0,1]=4 693 B12R0.234 O=C(O)CONCCCCCCF 269956a_100000106656_100015922095 [0,0,0,0,0,0|3,0,1]=4 694 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [0,0,0,0,0,0|3,0,1]=4 695 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [0,0,0,0,0,0|2,0,2]=4 696 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,0,0,0,0,0|2,0,2]=4 697 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,0,0,0,0,0|2,0,2]=4 698 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [0,0,0,0,0,0|2,0,2]=4 699 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,0,0,0,0,0|2,0,2]=4 700 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,0,0,0,0,0|2,0,2]=4 701 B12R0.234 O=CCCCCCNOCC(=O)O 269956a_100000106656_100000139337 [0,0,0,0,0,0|3,0,0]=3 702 B12R0.234 O=CCCCNCCOCC(=O)O 269956a_100000700818_200011292268 [0,0,0,0,0,0|3,0,0]=3 703 B12R0.234 O=CCCCOCCCC[N+](=O)[O-] 7a_200015379883_200011292268 [0,0,0,0,0,0|3,0,1]=4 704 B12R0.234 O=CCCCSCCCCB(O)O 62a_200009817182_200011292268 [0,0,0,0,0,0|3,0,1]=4 705 B12R0.234 O=CCCCSCCCCB(O)O 62a_200011292268_200009817182 [0,0,0,0,0,0|3,0,1]=4 706 B12R0.234 O=CCSCCCCCCB(O)O 62a_100009817187_200015260668 [0,0,0,0,0,0|3,0,1]=4 707 B12R0.234 O=CCSCCCCCCB(O)O 62a_200015260668_100009817187 [0,0,0,0,0,0|3,0,1]=4 708 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,0,0,0,0,0|2,0,1]=3 709 B11R0.3 C#CCCCCCCNCC=C 2230a_100020586998_100012276617 [1,0,0,0,0,0|2,0,1]=4 710 B11R0.3 C#CCCCCCCOCC=C 34a_100011217361_100015514636 [1,0,0,0,0,0|2,0,1]=4 711 B11R0.3 C#CCCCCCCOCC=C 34a_200000210373_100012276617 [1,0,0,0,0,0|2,0,1]=4 712 B11R0.3 C#CCCCCCCOCC=C 7a_100011217361_100015514636 [1,0,0,0,0,0|2,0,1]=4 713 B11R0.3 C#CCCCCCCOCC=O 34a_100011217361_200009817547 [1,0,0,0,0,0|1,0,2]=4 714 B11R0.3 C#CCCCCCCOCC=O 7a_100011217361_200015260668 [1,0,0,0,0,0|1,0,2]=4 715 B11R0.3 C#CCCCCCCSCC=C 62a_100000210623_100012276617 [1,0,0,0,0,0|2,0,1]=4 716 B11R0.3 C#CCCCCCCSCC=C 62a_100012276617_100000210623 [1,0,0,0,0,0|2,0,1]=4 717 B11R0.3 C#CCCCCCCSCC=O 62a_100012276617_200015260668 [1,0,0,0,0,0|1,0,2]=4 718 B11R0.3 C#CCCCCCCSCC=O 62a_200015260668_100012276617 [1,0,0,0,0,0|1,0,2]=4 719 B11R0.3 C#CCCCCCNCCC=C 2230a_100015191253_100012094781 [1,0,0,0,0,0|2,0,1]=4 720 B11R0.3 C#CCCCCCOCCC=C 34a_100000766912_100000754431 [1,0,0,0,0,0|2,0,1]=4 721 B11R0.3 C#CCCCCCOCCC=C 34a_100011205117_100012094781 [1,0,0,0,0,0|2,0,1]=4 722 B11R0.3 C#CCCCCCOCCC=C 7a_100000766912_100000754431 [1,0,0,0,0,0|2,0,1]=4 723 B11R0.3 C#CCCCCCSCCC=C 62a_100000754431_100012094781 [1,0,0,0,0,0|2,0,1]=4 724 B11R0.3 C#CCCCCCSCCC=C 62a_100012094781_100000754431 [1,0,0,0,0,0|2,0,1]=4 725 B11R0.3 C#CCCCCNCCCC=C 2230a_100000700776_100010269958 [1,0,0,0,0,0|2,0,1]=4 726 B11R0.3 C#CCCCCNCCCC=C 2230a_100000706060_100011713584 [1,0,0,0,0,0|2,0,1]=4 727 B11R0.3 C#CCCCCNCCCC=C 34a_100000700776_100010269958 [1,0,0,0,0,0|2,0,1]=4 728 B11R0.3 C#CCCCCNCCCC=C 34a_100000706060_100000757094 [1,0,0,0,0,0|2,0,1]=4 729 B11R0.3 C#CCCCCNCCCC=O 2230a_100000706060_200011292268 [1,0,0,0,0,0|1,0,2]=4 730 B11R0.3 C#CCCCCOCCCC=C 34a_100000758997_100010269958 [1,0,0,0,0,0|2,0,1]=4 731 B11R0.3 C#CCCCCOCCCC=C 34a_100000766709_100000757094 [1,0,0,0,0,0|2,0,1]=4 732 B11R0.3 C#CCCCCOCCCC=C 7a_100000758997_100010269958 [1,0,0,0,0,0|2,0,1]=4 733 B11R0.3 C#CCCCCOCCCC=C 7a_100000766709_100000757094 [1,0,0,0,0,0|2,0,1]=4 734 B11R0.3 C#CCCCCOCCCC=O 7a_100000766709_200011292268 [1,0,0,0,0,0|1,0,2]=4 735 B11R0.3 C#CCCCCSCCCC=C 62a_100010269958_100000757094 [1,0,0,0,0,0|2,0,1]=4 736 B11R0.3 C#CCCCCSCCCC=C 62a_100011713584_100010269958 [1,0,0,0,0,0|2,0,1]=4 737 B11R0.3 C#CCCCCSCCCC=O 62a_100010269958_200011292268 [1,0,0,0,0,0|1,0,2]=4 738 B11R0.3 C#CCCCCSCCCC=O 62a_200011292268_100010269958 [1,0,0,0,0,0|1,0,2]=4 739 B11R0.3 C#CCCCNCCCCC=C 2230a_100000703577_100000731252 [1,0,0,0,0,0|2,0,1]=4 740 B11R0.3 C#CCCCNCCCCC=C 34a_100000703577_100000695029 [1,0,0,0,0,0|2,0,1]=4 741 B11R0.3 C#CCCCNCCCCC=C 34a_100000718082_100011215482 [1,0,0,0,0,0|2,0,1]=4 742 B11R0.3 C#CCCCOCCCCC=C 34a_100000215630_100011215482 [1,0,0,0,0,0|2,0,1]=4 743 B11R0.3 C#CCCCOCCCCC=C 34a_100000766645_100000695029 [1,0,0,0,0,0|2,0,1]=4 744 B11R0.3 C#CCCCOCCCCC=C 7a_100000215630_100011215482 [1,0,0,0,0,0|2,0,1]=4 745 B11R0.3 C#CCCCOCCCCC=C 7a_100000766645_100011215417 [1,0,0,0,0,0|2,0,1]=4 746 B11R0.3 C#CCCCOCCCCC=O 7a_100000215630_100000139335 [1,0,0,0,0,0|1,0,2]=4 747 B11R0.3 C#CCCCSCCCCC=C 62a_100011215417_100011215482 [1,0,0,0,0,0|2,0,1]=4 748 B11R0.3 C#CCCCSCCCCC=C 62a_100011215482_100011215417 [1,0,0,0,0,0|2,0,1]=4 749 B11R0.3 C#CCCCSCCCCC=O 62a_100000139335_100011215417 [1,0,0,0,0,0|1,0,2]=4 750 B11R0.3 C#CCCCSCCCCC=O 62a_100011215417_100000139335 [1,0,0,0,0,0|1,0,2]=4 751 B11R0.3 C#CCCNCCCCCC=C 34a_100000755551_100000700193 [1,0,0,0,0,0|2,0,1]=4 752 B11R0.3 C#CCCOCCCCCC=C 34a_100011215631_100000700193 [1,0,0,0,0,0|2,0,1]=4 753 B11R0.3 C#CCCOCCCCCC=C 34a_100011216702_100000688953 [1,0,0,0,0,0|2,0,1]=4 754 B11R0.3 C#CCCOCCCCCC=C 7a_100011216702_100000688953 [1,0,0,0,0,0|2,0,1]=4 755 B11R0.3 C#CCCSCCCCCC=C 62a_100000688953_100000700193 [1,0,0,0,0,0|2,0,1]=4 756 B11R0.3 C#CCCSCCCCCC=C 62a_100000700193_100000688953 [1,0,0,0,0,0|2,0,1]=4 757 B11R0.3 C#CCCSCCCCCC=O 62a_100000139337_100000688953 [1,0,0,0,0,0|1,0,2]=4 758 B11R0.3 C#CCCSCCCCCC=O 62a_100000688953_100000139337 [1,0,0,0,0,0|1,0,2]=4 759 B11R0.3 C#CCNCCCCCCC=C 34a_100000212058_100011215473 [1,0,0,0,0,0|2,0,1]=4 760 B11R0.3 C#CCOCCCCCCC=C 34a_100000210247_100011215473 [1,0,0,0,0,0|2,0,1]=4 761 B11R0.3 C#CCOCCCCCCC=C 34a_200011216477_100000184674 [1,0,0,0,0,0|2,0,1]=4 762 B11R0.3 C#CCOCCCCCCC=C 7a_200011216477_100000038162 [1,0,0,0,0,0|2,0,1]=4 763 B11R0.3 C#CCSCCCCCCC=C 62a_100000038162_100011215473 [1,0,0,0,0,0|2,0,1]=4 764 B11R0.3 C/C=C/CSCCCCCC=O 62a_100000139337_100102629194 [1,0,0,0,0,0|1,0,2]=4 765 B11R0.3 C/C=C/CSCCCCCC=O 62a_100102629194_100000139337 [1,0,0,0,0,0|1,0,2]=4 766 B11R0.3 C=CCCC/C=C/COCC=O 34a_200016268473_200009817547 [1,0,0,0,0,0|1,0,2]=4 767 B11R0.3 C=CCCC/C=C/COCC=O 7a_200016268473_200015260668 [1,0,0,0,0,0|1,0,2]=4 768 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [1,0,0,0,0,0|2,0,0]=3 769 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [1,0,0,0,0,0|2,0,0]=3 770 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [1,0,0,0,0,0|2,0,0]=3 771 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [1,0,0,0,0,0|2,0,0]=3 772 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [1,0,0,0,0,0|2,0,0]=3 773 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [1,0,0,0,0,0|2,0,0]=3 774 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [1,0,0,0,0,0|2,0,0]=3 775 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [1,0,0,0,0,0|2,0,0]=3 776 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [1,0,0,0,0,0|2,0,0]=3 777 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [1,0,0,0,0,0|2,0,0]=3 778 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [1,0,0,0,0,0|2,0,0]=3 779 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [1,0,0,0,0,0|2,0,0]=3 780 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [1,0,0,0,0,0|2,0,1]=4 781 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [1,0,0,0,0,0|2,0,1]=4 782 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [1,0,0,0,0,0|2,0,1]=4 783 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [1,0,0,0,0,0|2,0,1]=4 784 B11R0.3 C=CCCCCCCCOCF 34a_100000730831_100015361967 [1,0,0,0,0,0|2,0,1]=4 785 B11R0.3 C=CCCCCCCCOCF 7a_100000730831_100015361967 [1,0,0,0,0,0|2,0,1]=4 786 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [1,0,0,0,0,0|2,0,1]=4 787 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [1,0,0,0,0,0|2,0,1]=4 788 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [1,0,0,0,0,0|2,0,1]=4 789 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [1,0,0,0,0,0|2,0,1]=4 790 B11R0.3 C=CCCCCCCNCC=C 2230a_100020586998_100011215473 [1,0,0,0,0,0|2,0,0]=3 791 B11R0.3 C=CCCCCCCNCCF 34a_100000724931_100011215473 [1,0,0,0,0,0|2,0,1]=4 792 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [1,0,0,0,0,0|1,0,1]=3 793 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [1,0,0,0,0,0|1,0,1]=3 794 B11R0.3 C=CCCCCCCOCC#N 7a_200011216477_100011215382 [1,0,0,0,0,0|2,0,1]=4 795 B11R0.3 C=CCCCCCCOCC=C 34a_200000210373_100011215473 [1,0,0,0,0,0|2,0,0]=3 796 B11R0.3 C=CCCCCCCOCC=C 34a_200011216477_100015514636 [1,0,0,0,0,0|2,0,0]=3 797 B11R0.3 C=CCCCCCCOCC=C 7a_200011216477_100015514636 [1,0,0,0,0,0|2,0,0]=3 798 B11R0.3 C=CCCCCCCOCC=O 34a_200011216477_200009817547 [1,0,0,0,0,0|1,0,0]=2 799 B11R0.3 C=CCCCCCCOCC=O 7a_200011216477_200015260668 [1,0,0,0,0,0|1,0,0]=2 800 B11R0.3 C=CCCCCCCOCCBr 34a_100000211926_100011215473 [1,0,0,0,0,0|2,0,1]=4 801 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [1,0,0,0,0,0|2,0,1]=4 802 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [1,0,0,0,0,0|2,0,1]=4 803 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [1,0,0,0,0,0|2,0,1]=4 804 B11R0.3 C=CCCCCCCOCCF 34a_200011216477_100011217306 [1,0,0,0,0,0|2,0,1]=4 805 B11R0.3 C=CCCCCCCOCCF 7a_200011216477_100011217306 [1,0,0,0,0,0|2,0,1]=4 806 B11R0.3 C=CCCCCCCOCCN 34a_100000210304_100011215473 [1,0,0,0,0,0|2,0,1]=4 807 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [1,0,0,0,0,0|1,0,1]=3 808 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [1,0,0,0,0,0|1,0,1]=3 809 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [1,0,0,0,0,0|3,0,0]=4 810 B11R0.3 C=CCCCCCCSCC#N 62a_100011215382_100011215473 [1,0,0,0,0,0|2,0,1]=4 811 B11R0.3 C=CCCCCCCSCC#N 62a_100011215473_100011215382 [1,0,0,0,0,0|2,0,1]=4 812 B11R0.3 C=CCCCCCCSCC=C 62a_100000210623_100011215473 [1,0,0,0,0,0|2,0,0]=3 813 B11R0.3 C=CCCCCCCSCC=C 62a_100011215473_100000210623 [1,0,0,0,0,0|2,0,0]=3 814 B11R0.3 C=CCCCCCCSCC=O 62a_100011215473_200015260668 [1,0,0,0,0,0|1,0,0]=2 815 B11R0.3 C=CCCCCCCSCC=O 62a_200015260668_100011215473 [1,0,0,0,0,0|1,0,0]=2 816 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [1,0,0,0,0,0|2,0,1]=4 817 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [1,0,0,0,0,0|2,0,1]=4 818 B11R0.3 C=CCCCCCCSCCF 62a_100011215473_100011217306 [1,0,0,0,0,0|2,0,1]=4 819 B11R0.3 C=CCCCCCCSCCF 62a_100011217306_100011215473 [1,0,0,0,0,0|2,0,1]=4 820 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [1,0,0,0,0,0|1,0,1]=3 821 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [1,0,0,0,0,0|1,0,1]=3 822 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [1,0,0,0,0,0|3,0,0]=4 823 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [1,0,0,0,0,0|3,0,0]=4 824 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [1,0,0,0,0,0|3,0,0]=4 825 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [1,0,0,0,0,0|3,0,0]=4 826 B11R0.3 C=CCCCCCNCCC=C 2230a_100015191253_100000700193 [1,0,0,0,0,0|2,0,0]=3 827 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [1,0,0,0,0,0|2,0,1]=4 828 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [1,0,0,0,0,0|2,0,1]=4 829 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [1,0,0,0,0,0|2,0,1]=4 830 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [1,0,0,0,0,0|2,0,1]=4 831 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [1,0,0,0,0,0|3,0,0]=4 832 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [1,0,0,0,0,0|3,0,0]=4 833 B11R0.3 C=CCCCCCOC/C=C/C 34a_100011216702_100102629194 [1,0,0,0,0,0|2,0,1]=4 834 B11R0.3 C=CCCCCCOC/C=C/C 34a_100016270725_100000700193 [1,0,0,0,0,0|2,0,1]=4 835 B11R0.3 C=CCCCCCOC/C=C/C 7a_100011216702_100102629194 [1,0,0,0,0,0|2,0,1]=4 836 B11R0.3 C=CCCCCCOCC=CC 34a_100011216702_100000070051 [1,0,0,0,0,0|2,0,1]=4 837 B11R0.3 C=CCCCCCOCC=CC 7a_100011216702_100000070051 [1,0,0,0,0,0|2,0,1]=4 838 B11R0.3 C=CCCCCCOCCC#N 7a_100011216702_100000184422 [1,0,0,0,0,0|2,0,1]=4 839 B11R0.3 C=CCCCCCOCCC=C 34a_100011205117_100000700193 [1,0,0,0,0,0|2,0,0]=3 840 B11R0.3 C=CCCCCCOCCC=C 34a_100011216702_100000754431 [1,0,0,0,0,0|2,0,0]=3 841 B11R0.3 C=CCCCCCOCCC=C 7a_100011216702_100000754431 [1,0,0,0,0,0|2,0,0]=3 842 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [1,0,0,0,0,0|2,0,1]=4 843 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [1,0,0,0,0,0|2,0,1]=4 844 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [1,0,0,0,0,0|2,0,1]=4 845 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [1,0,0,0,0,0|2,0,1]=4 846 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [1,0,0,0,0,0|2,0,1]=4 847 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [1,0,0,0,0,0|2,0,1]=4 848 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [1,0,0,0,0,0|2,0,1]=4 849 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [1,0,0,0,0,0|2,0,1]=4 850 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [1,0,0,0,0,0|2,0,1]=4 851 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [1,0,0,0,0,0|2,0,1]=4 852 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [1,0,0,0,0,0|1,0,1]=3 853 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [1,0,0,0,0,0|1,0,1]=3 854 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [1,0,0,0,0,0|3,0,0]=4 855 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [1,0,0,0,0,0|3,0,0]=4 856 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [1,0,0,0,0,0|3,0,0]=4 857 B11R0.3 C=CCCCCCOCCON 34a_100000700252_100000700193 [1,0,0,0,0,0|3,0,0]=4 858 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [1,0,0,0,0,0|3,0,0]=4 859 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [1,0,0,0,0,0|3,0,0]=4 860 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [1,0,0,0,0,0|3,0,0]=4 861 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [1,0,0,0,0,0|3,0,0]=4 862 B11R0.3 C=CCCCCCSC/C=C/C 62a_100000700193_100102629194 [1,0,0,0,0,0|2,0,1]=4 863 B11R0.3 C=CCCCCCSC/C=C/C 62a_100102629194_100000700193 [1,0,0,0,0,0|2,0,1]=4 864 B11R0.3 C=CCCCCCSCC=CC 62a_100000070051_100000700193 [1,0,0,0,0,0|2,0,1]=4 865 B11R0.3 C=CCCCCCSCC=CC 62a_100000700193_100000070051 [1,0,0,0,0,0|2,0,1]=4 866 B11R0.3 C=CCCCCCSCCC#N 62a_100000700193_100011215226 [1,0,0,0,0,0|2,0,1]=4 867 B11R0.3 C=CCCCCCSCCC#N 62a_100011215226_100000700193 [1,0,0,0,0,0|2,0,1]=4 868 B11R0.3 C=CCCCCCSCCC=C 62a_100000700193_100000754431 [1,0,0,0,0,0|2,0,0]=3 869 B11R0.3 C=CCCCCCSCCC=C 62a_100000754431_100000700193 [1,0,0,0,0,0|2,0,0]=3 870 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [1,0,0,0,0,0|2,0,1]=4 871 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [1,0,0,0,0,0|2,0,1]=4 872 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [1,0,0,0,0,0|2,0,1]=4 873 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [1,0,0,0,0,0|2,0,1]=4 874 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [1,0,0,0,0,0|1,0,1]=3 875 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [1,0,0,0,0,0|1,0,1]=3 876 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [1,0,0,0,0,0|3,0,0]=4 877 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [1,0,0,0,0,0|3,0,0]=4 878 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [1,0,0,0,0,0|3,0,0]=4 879 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [1,0,0,0,0,0|3,0,0]=4 880 B11R0.3 C=CCCCCNCCCC#N 2230a_100000703577_100000687738 [1,0,0,0,0,0|2,0,1]=4 881 B11R0.3 C=CCCCCNCCCC=C 2230a_100000700776_100011215482 [1,0,0,0,0,0|2,0,0]=3 882 B11R0.3 C=CCCCCNCCCC=C 2230a_100000703577_100011713584 [1,0,0,0,0,0|2,0,0]=3 883 B11R0.3 C=CCCCCNCCCC=C 34a_100000700776_100011215482 [1,0,0,0,0,0|2,0,0]=3 884 B11R0.3 C=CCCCCNCCCC=C 34a_100000703577_100000757094 [1,0,0,0,0,0|2,0,0]=3 885 B11R0.3 C=CCCCCNCCCC=O 2230a_100000703577_200011292268 [1,0,0,0,0,0|1,0,0]=2 886 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [1,0,0,0,0,0|2,0,1]=4 887 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [1,0,0,0,0,0|2,0,1]=4 888 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [1,0,0,0,0,0|2,0,1]=4 889 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [1,0,0,0,0,0|2,0,1]=4 890 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [1,0,0,0,0,0|2,0,1]=4 891 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [1,0,0,0,0,0|1,0,1]=3 892 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [1,0,0,0,0,0|1,0,1]=3 893 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [1,0,0,0,0,0|1,0,1]=3 894 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [1,0,0,0,0,0|1,0,1]=3 895 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [1,0,0,0,0,0|3,0,0]=4 896 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [1,0,0,0,0,0|3,0,0]=4 897 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [1,0,0,0,0,0|3,0,0]=4 898 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [1,0,0,0,0,0|3,0,0]=4 899 B11R0.3 C=CCCCCNCCOC=C 2230a_100000703577_100000039644 [1,0,0,0,0,0|3,0,0]=4 900 B11R0.3 C=CCCCCNCCOC=C 34a_100000703577_100000039644 [1,0,0,0,0,0|3,0,0]=4 901 B11R0.3 C=CCCCCOCC/C=C/C 34a_100016278192_100011215482 [1,0,0,0,0,0|2,0,1]=4 902 B11R0.3 C=CCCCCOCCCC#N 7a_100000766645_100000687738 [1,0,0,0,0,0|2,0,1]=4 903 B11R0.3 C=CCCCCOCCCC=C 34a_100000758997_100011215482 [1,0,0,0,0,0|2,0,0]=3 904 B11R0.3 C=CCCCCOCCCC=C 34a_100000766645_100000757094 [1,0,0,0,0,0|2,0,0]=3 905 B11R0.3 C=CCCCCOCCCC=C 7a_100000758997_100011215482 [1,0,0,0,0,0|2,0,0]=3 906 B11R0.3 C=CCCCCOCCCC=C 7a_100000766645_100000757094 [1,0,0,0,0,0|2,0,0]=3 907 B11R0.3 C=CCCCCOCCCC=O 7a_100000766645_200011292268 [1,0,0,0,0,0|1,0,0]=2 908 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [1,0,0,0,0,0|2,0,1]=4 909 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [1,0,0,0,0,0|2,0,1]=4 910 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [1,0,0,0,0,0|2,0,1]=4 911 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [1,0,0,0,0,0|2,0,1]=4 912 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [1,0,0,0,0,0|2,0,1]=4 913 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [1,0,0,0,0,0|2,0,1]=4 914 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [1,0,0,0,0,0|2,0,1]=4 915 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [1,0,0,0,0,0|2,0,1]=4 916 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [1,0,0,0,0,0|2,0,1]=4 917 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [1,0,0,0,0,0|2,0,1]=4 918 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [1,0,0,0,0,0|2,0,1]=4 919 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [1,0,0,0,0,0|2,0,1]=4 920 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [1,0,0,0,0,0|2,0,1]=4 921 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [1,0,0,0,0,0|1,0,1]=3 922 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [1,0,0,0,0,0|1,0,1]=3 923 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [1,0,0,0,0,0|3,0,0]=4 924 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [1,0,0,0,0,0|3,0,0]=4 925 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [1,0,0,0,0,0|3,0,0]=4 926 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [1,0,0,0,0,0|3,0,0]=4 927 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [1,0,0,0,0,0|3,0,0]=4 928 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [1,0,0,0,0,0|3,0,0]=4 929 B11R0.3 C=CCCCCOCCOC=C 34a_100000033082_100011215482 [1,0,0,0,0,0|3,0,0]=4 930 B11R0.3 C=CCCCCOCCOC=C 34a_100000766645_100000039644 [1,0,0,0,0,0|3,0,0]=4 931 B11R0.3 C=CCCCCOCCOC=C 7a_100000766645_100000039644 [1,0,0,0,0,0|3,0,0]=4 932 B11R0.3 C=CCCCCSCCCC#N 62a_100000687738_100011215482 [1,0,0,0,0,0|2,0,1]=4 933 B11R0.3 C=CCCCCSCCCC#N 62a_100011215482_100000687738 [1,0,0,0,0,0|2,0,1]=4 934 B11R0.3 C=CCCCCSCCCC=C 62a_100011215482_100000757094 [1,0,0,0,0,0|2,0,0]=3 935 B11R0.3 C=CCCCCSCCCC=C 62a_100011713584_100011215482 [1,0,0,0,0,0|2,0,0]=3 936 B11R0.3 C=CCCCCSCCCC=O 62a_100011215482_200011292268 [1,0,0,0,0,0|1,0,0]=2 937 B11R0.3 C=CCCCCSCCCC=O 62a_200011292268_100011215482 [1,0,0,0,0,0|1,0,0]=2 938 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [1,0,0,0,0,0|2,0,1]=4 939 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [1,0,0,0,0,0|2,0,1]=4 940 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [1,0,0,0,0,0|2,0,1]=4 941 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [1,0,0,0,0,0|2,0,1]=4 942 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [1,0,0,0,0,0|1,0,1]=3 943 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [1,0,0,0,0,0|1,0,1]=3 944 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [1,0,0,0,0,0|3,0,0]=4 945 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [1,0,0,0,0,0|3,0,0]=4 946 B11R0.3 C=CCCCCSCCOC=C 62a_100000039644_100011215482 [1,0,0,0,0,0|3,0,0]=4 947 B11R0.3 C=CCCCCSCCOC=C 62a_100011215482_100000039644 [1,0,0,0,0,0|3,0,0]=4 948 B11R0.3 C=CCCCNCCCCC#N 2230a_100000700776_100000211819 [1,0,0,0,0,0|2,0,1]=4 949 B11R0.3 C=CCCCNCCCCC=O 2230a_100000700776_100000139335 [1,0,0,0,0,0|1,0,0]=2 950 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [1,0,0,0,0,0|2,0,1]=4 951 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [1,0,0,0,0,0|2,0,1]=4 952 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [1,0,0,0,0,0|2,0,1]=4 953 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [1,0,0,0,0,0|2,0,1]=4 954 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [1,0,0,0,0,0|2,0,1]=4 955 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [1,0,0,0,0,0|1,0,1]=3 956 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [1,0,0,0,0,0|1,0,1]=3 957 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [1,0,0,0,0,0|1,0,1]=3 958 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [1,0,0,0,0,0|1,0,1]=3 959 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [1,0,0,0,0,0|3,0,0]=4 960 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [1,0,0,0,0,0|3,0,0]=4 961 B11R0.3 C=CCCCNCCCOC=C 2230a_100000210767_100011713584 [1,0,0,0,0,0|3,0,0]=4 962 B11R0.3 C=CCCCNCCCOC=C 34a_100000210767_100000757094 [1,0,0,0,0,0|3,0,0]=4 963 B11R0.3 C=CCCCNCCOCCO 2230a_100000211614_100011713584 [1,0,0,0,0,0|2,0,1]=4 964 B11R0.3 C=CCCCNCCOCCO 2230a_100000700776_100011215305 [1,0,0,0,0,0|2,0,1]=4 965 B11R0.3 C=CCCCNCCOCCO 34a_100000211614_100000757094 [1,0,0,0,0,0|2,0,1]=4 966 B11R0.3 C=CCCCNCCOCCO 34a_100000700776_100000692535 [1,0,0,0,0,0|2,0,1]=4 967 B11R0.3 C=CCCCNCCSCCO 2230a_100011219999_100011713584 [1,0,0,0,0,0|2,0,1]=4 968 B11R0.3 C=CCCCOCCCC=CC 34a_100020645299_100000757094 [1,0,0,0,0,0|2,0,1]=4 969 B11R0.3 C=CCCCOCCCCC#N 7a_100000758997_100000211819 [1,0,0,0,0,0|2,0,1]=4 970 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [1,0,0,0,0,0|1,0,0]=2 971 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [1,0,0,0,0,0|2,0,1]=4 972 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [1,0,0,0,0,0|2,0,1]=4 973 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [1,0,0,0,0,0|2,0,1]=4 974 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [1,0,0,0,0,0|2,0,1]=4 975 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [1,0,0,0,0,0|2,0,1]=4 976 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [1,0,0,0,0,0|2,0,1]=4 977 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [1,0,0,0,0,0|2,0,1]=4 978 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [1,0,0,0,0,0|2,0,1]=4 979 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [1,0,0,0,0,0|2,0,1]=4 980 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [1,0,0,0,0,0|2,0,1]=4 981 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [1,0,0,0,0,0|2,0,1]=4 982 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [1,0,0,0,0,0|2,0,1]=4 983 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [1,0,0,0,0,0|2,0,1]=4 984 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [1,0,0,0,0,0|1,0,1]=3 985 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [1,0,0,0,0,0|1,0,1]=3 986 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [1,0,0,0,0,0|3,0,0]=4 987 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [1,0,0,0,0,0|3,0,0]=4 988 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [1,0,0,0,0,0|3,0,0]=4 989 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [1,0,0,0,0,0|3,0,0]=4 990 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [1,0,0,0,0,0|3,0,0]=4 991 B11R0.3 C=CCCCOCCOCC=C 34a_100000037705_100000757094 [1,0,0,0,0,0|3,0,0]=4 992 B11R0.3 C=CCCCOCCOCC=C 7a_100000037705_100000757094 [1,0,0,0,0,0|3,0,0]=4 993 B11R0.3 C=CCCCOCCOCCO 34a_100000758997_100000692535 [1,0,0,0,0,0|2,0,1]=4 994 B11R0.3 C=CCCCOCCOCCO 7a_100000758997_100011215305 [1,0,0,0,0,0|2,0,1]=4 995 B11R0.3 C=CCCCSCCCCC#N 62a_100011219923_100000757094 [1,0,0,0,0,0|2,0,1]=4 996 B11R0.3 C=CCCCSCCCCC#N 62a_100011713584_100000211819 [1,0,0,0,0,0|2,0,1]=4 997 B11R0.3 C=CCCCSCCCCC=O 62a_100000139335_100000757094 [1,0,0,0,0,0|1,0,0]=2 998 B11R0.3 C=CCCCSCCCCC=O 62a_100011713584_100000139335 [1,0,0,0,0,0|1,0,0]=2 999 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [1,0,0,0,0,0|2,0,1]=4 1000 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [1,0,0,0,0,0|2,0,1]=4 1001 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [1,0,0,0,0,0|2,0,1]=4 1002 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [1,0,0,0,0,0|2,0,1]=4 1003 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [1,0,0,0,0,0|1,0,1]=3 1004 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [1,0,0,0,0,0|1,0,1]=3 1005 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [1,0,0,0,0,0|3,0,0]=4 1006 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [1,0,0,0,0,0|3,0,0]=4 1007 B11R0.3 C=CCCCSCCOCCO 62a_100011215305_100000757094 [1,0,0,0,0,0|2,0,1]=4 1008 B11R0.3 C=CCCCSCCOCCO 62a_100011713584_100011215305 [1,0,0,0,0,0|2,0,1]=4 1009 B11R0.3 C=CCCNCCCCCC#N 2230a_100015191253_100009813376 [1,0,0,0,0,0|2,0,1]=4 1010 B11R0.3 C=CCCNCCCCCC=O 2230a_100015191253_100000139337 [1,0,0,0,0,0|1,0,0]=2 1011 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [1,0,0,0,0,0|2,0,1]=4 1012 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [1,0,0,0,0,0|2,0,1]=4 1013 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [1,0,0,0,0,0|2,0,1]=4 1014 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [1,0,0,0,0,0|1,0,1]=3 1015 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [1,0,0,0,0,0|1,0,1]=3 1016 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [1,0,0,0,0,0|1,0,1]=3 1017 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [1,0,0,0,0,0|3,0,0]=4 1018 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [1,0,0,0,0,0|3,0,0]=4 1019 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [1,0,0,0,0,0|2,0,1]=4 1020 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [1,0,0,0,0,0|2,0,1]=4 1021 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [1,0,0,0,0,0|2,0,1]=4 1022 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [1,0,0,0,0,0|2,0,1]=4 1023 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [1,0,0,0,0,0|2,0,1]=4 1024 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [1,0,0,0,0,0|2,0,1]=4 1025 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [1,0,0,0,0,0|2,0,1]=4 1026 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [1,0,0,0,0,0|2,0,1]=4 1027 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [1,0,0,0,0,0|2,0,1]=4 1028 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [1,0,0,0,0,0|2,0,1]=4 1029 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [1,0,0,0,0,0|2,0,1]=4 1030 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [1,0,0,0,0,0|1,0,1]=3 1031 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [1,0,0,0,0,0|3,0,0]=4 1032 B11R0.3 C=CCCOCCCCOC=C 34a_100000031558_100000754431 [1,0,0,0,0,0|3,0,0]=4 1033 B11R0.3 C=CCCOCCCCOC=C 7a_100000031558_100000754431 [1,0,0,0,0,0|3,0,0]=4 1034 B11R0.3 C=CCCSCCCCCC#N 62a_100000754431_100009813376 [1,0,0,0,0,0|2,0,1]=4 1035 B11R0.3 C=CCCSCCCCCC#N 62a_100009813376_100000754431 [1,0,0,0,0,0|2,0,1]=4 1036 B11R0.3 C=CCCSCCCCCC=O 62a_100000139337_100000754431 [1,0,0,0,0,0|1,0,0]=2 1037 B11R0.3 C=CCCSCCCCCC=O 62a_100000754431_100000139337 [1,0,0,0,0,0|1,0,0]=2 1038 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [1,0,0,0,0,0|2,0,1]=4 1039 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [1,0,0,0,0,0|2,0,1]=4 1040 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [1,0,0,0,0,0|2,0,1]=4 1041 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [1,0,0,0,0,0|2,0,1]=4 1042 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [1,0,0,0,0,0|1,0,1]=3 1043 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [1,0,0,0,0,0|1,0,1]=3 1044 B11R0.3 C=CCNCCCCCCC#N 2230a_100020586998_100009813337 [1,0,0,0,0,0|2,0,1]=4 1045 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [1,0,0,0,0,0|2,0,1]=4 1046 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [1,0,0,0,0,0|2,0,1]=4 1047 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [1,0,0,0,0,0|2,0,1]=4 1048 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [1,0,0,0,0,0|1,0,1]=3 1049 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [1,0,0,0,0,0|1,0,1]=3 1050 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [1,0,0,0,0,0|1,0,1]=3 1051 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [1,0,0,0,0,0|3,0,0]=4 1052 B11R0.3 C=CCNCCCOCCCO 2230a_100011310245_100000210623 [1,0,0,0,0,0|2,0,1]=4 1053 B11R0.3 C=CCNCCCOCCCO 34a_100011310245_100015514636 [1,0,0,0,0,0|2,0,1]=4 1054 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [1,0,0,0,0,0|2,0,1]=4 1055 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [1,0,0,0,0,0|2,0,1]=4 1056 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [1,0,0,0,0,0|2,0,1]=4 1057 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [1,0,0,0,0,0|2,0,1]=4 1058 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [1,0,0,0,0,0|2,0,1]=4 1059 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [1,0,0,0,0,0|2,0,1]=4 1060 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [1,0,0,0,0,0|1,0,1]=3 1061 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [1,0,0,0,0,0|3,0,0]=4 1062 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [1,0,0,0,0,0|3,0,0]=4 1063 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [1,0,0,0,0,0|3,0,0]=4 1064 B11R0.3 C=CCOCCOCCCC=O 7a_100000037705_200011292268 [1,0,0,0,0,0|2,0,0]=3 1065 B11R0.3 C=CCOCCOCCCCO 34a_100000037705_100011216708 [1,0,0,0,0,0|2,0,1]=4 1066 B11R0.3 C=CCOCCOCCCCO 7a_100000037705_100000210776 [1,0,0,0,0,0|2,0,1]=4 1067 B11R0.3 C=CCSCCCCCCC#N 62a_100000210623_100009813337 [1,0,0,0,0,0|2,0,1]=4 1068 B11R0.3 C=CCSCCCCCCC#N 62a_100009813337_100000210623 [1,0,0,0,0,0|2,0,1]=4 1069 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [1,0,0,0,0,0|2,0,1]=4 1070 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [1,0,0,0,0,0|2,0,1]=4 1071 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [1,0,0,0,0,0|1,0,1]=3 1072 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [1,0,0,0,0,0|1,0,1]=3 1073 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [1,0,0,0,0,0|3,0,0]=4 1074 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [1,0,0,0,0,0|3,0,0]=4 1075 B11R0.3 C=COCCCCOCCCO 34a_100000031558_100000230001 [1,0,0,0,0,0|2,0,1]=4 1076 B11R0.3 C=COCCCCOCCCO 7a_100000031558_100011215043 [1,0,0,0,0,0|2,0,1]=4 1077 B11R0.3 C=COCCCNCCCC=O 2230a_100000210767_200011292268 [1,0,0,0,0,0|2,0,0]=3 1078 B11R0.3 C=COCCCNCCCCO 2230a_100000210767_100000210776 [1,0,0,0,0,0|2,0,1]=4 1079 B11R0.3 C=COCCCNCCCCO 34a_100000210767_100011216708 [1,0,0,0,0,0|2,0,1]=4 1080 B11R0.3 C=COCCNCCCCCO 2230a_100000762737_100000039644 [1,0,0,0,0,0|2,0,1]=4 1081 B11R0.3 C=COCCNCCCCCO 34a_100000762737_100000039644 [1,0,0,0,0,0|2,0,1]=4 1082 B11R0.3 C=COCCOCCCCCO 34a_100000033082_100000746330 [1,0,0,0,0,0|2,0,1]=4 1083 B11R0.3 C=COCCOCCOCC=O 34a_100000039918_200009817547 [1,0,0,0,0,0|3,0,0]=4 1084 B11R0.3 C=COCCOCCOCC=O 7a_100000039918_200015260668 [1,0,0,0,0,0|3,0,0]=4 1085 B11R0.3 C=COCCSCCCCC=O 62a_100000039644_100000139335 [1,0,0,0,0,0|2,0,0]=3 1086 B11R0.3 C=COCCSCCCCC=O 62a_100000139335_100000039644 [1,0,0,0,0,0|2,0,0]=3 1087 B11R0.3 C=COCCSCCCCCO 62a_100000039644_100000746330 [1,0,0,0,0,0|2,0,1]=4 1088 B11R0.3 C=COCCSCCCCCO 62a_100000746330_100000039644 [1,0,0,0,0,0|2,0,1]=4 1089 B11R0.3 CC=CCSCCCCCC=O 62a_100000070051_100000139337 [1,0,0,0,0,0|1,0,2]=4 1090 B11R0.3 CC=CCSCCCCCC=O 62a_100000139337_100000070051 [1,0,0,0,0,0|1,0,2]=4 1091 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [1,0,0,0,0,0|1,0,2]=4 1092 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [1,0,0,0,0,0|1,0,2]=4 1093 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [1,0,0,0,0,0|1,0,2]=4 1094 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [1,0,0,0,0,0|1,0,2]=4 1095 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [1,0,0,0,0,0|1,0,2]=4 1096 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [1,0,0,0,0,0|1,0,2]=4 1097 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [1,0,0,0,0,0|1,0,2]=4 1098 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [1,0,0,0,0,0|1,0,2]=4 1099 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [1,0,0,0,0,0|1,0,2]=4 1100 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [1,0,0,0,0,0|1,0,2]=4 1101 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [1,0,0,0,0,0|1,0,2]=4 1102 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [1,0,0,0,0,0|1,0,2]=4 1103 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [1,0,0,0,0,0|1,0,2]=4 1104 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [1,0,0,0,0,0|1,0,2]=4 1105 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [1,0,0,0,0,0|1,0,2]=4 1106 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [1,0,0,0,0,0|1,0,2]=4 1107 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [1,0,0,0,0,0|1,0,2]=4 1108 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [1,0,0,0,0,0|1,0,2]=4 1109 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [1,0,0,0,0,0|1,0,2]=4 1110 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [1,0,0,0,0,0|1,0,2]=4 1111 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [1,0,0,0,0,0|1,0,2]=4 1112 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [1,0,0,0,0,0|1,0,2]=4 1113 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [1,0,0,0,0,0|1,0,2]=4 1114 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [1,0,0,0,0,0|1,0,2]=4 1115 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [1,0,0,0,0,0|1,0,2]=4 1116 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [1,0,0,0,0,0|2,0,1]=4 1117 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [1,0,0,0,0,0|2,0,1]=4 1118 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [1,0,0,0,0,0|2,0,1]=4 1119 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [1,0,0,0,0,0|2,0,1]=4 1120 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [1,0,0,0,0,0|2,0,1]=4 1121 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [1,0,0,0,0,0|2,0,1]=4 1122 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [1,0,0,0,0,0|2,0,1]=4 1123 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [1,0,0,0,0,0|2,0,1]=4 1124 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [1,0,0,0,0,0|2,0,1]=4 1125 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [1,0,0,0,0,0|2,0,1]=4 1126 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [1,0,0,0,0,0|2,0,1]=4 1127 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [1,0,0,0,0,0|1,0,2]=4 1128 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [1,0,0,0,0,0|1,0,2]=4 1129 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [1,0,0,0,0,0|2,0,1]=4 1130 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [1,0,0,0,0,0|2,0,1]=4 1131 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [1,0,0,0,0,0|2,0,1]=4 1132 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [1,0,0,0,0,0|2,0,1]=4 1133 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [1,0,0,0,0,0|2,0,1]=4 1134 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [1,0,0,0,0,0|2,0,1]=4 1135 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [1,0,0,0,0,0|2,0,1]=4 1136 B11R0.3 N#CCCCCCCSCC=O 62a_100009813337_200015260668 [1,0,0,0,0,0|2,0,1]=4 1137 B11R0.3 N#CCCCCCCSCC=O 62a_200015260668_100009813337 [1,0,0,0,0,0|2,0,1]=4 1138 B11R0.3 N#CCCCCSCCCC=O 62a_100011219923_200011292268 [1,0,0,0,0,0|2,0,1]=4 1139 B11R0.3 N#CCCCCSCCCC=O 62a_200011292268_100000211819 [1,0,0,0,0,0|2,0,1]=4 1140 B11R0.3 N#CCCCSCCCCC=O 62a_100000139335_100000687738 [1,0,0,0,0,0|2,0,1]=4 1141 B11R0.3 N#CCCCSCCCCC=O 62a_100000687738_100000139335 [1,0,0,0,0,0|2,0,1]=4 1142 B11R0.3 N#CCCSCCCCCC=O 62a_100000139337_100011215226 [1,0,0,0,0,0|2,0,1]=4 1143 B11R0.3 N#CCCSCCCCCC=O 62a_100011215226_100000139337 [1,0,0,0,0,0|2,0,1]=4 1144 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [1,0,0,0,0,0|2,0,1]=4 1145 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [1,0,0,0,0,0|2,0,1]=4 1146 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [1,0,0,0,0,0|2,0,1]=4 1147 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [1,0,0,0,0,0|2,0,1]=4 1148 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [1,0,0,0,0,0|2,0,1]=4 1149 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [1,0,0,0,0,0|2,0,1]=4 1150 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [1,0,0,0,0,0|2,0,1]=4 1151 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [1,0,0,0,0,0|2,0,1]=4 1152 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [1,0,0,0,0,0|2,0,1]=4 1153 B11R0.3 O=CCCCCSCCCC=O 62a_100000139335_200011292268 [1,0,0,0,0,0|2,0,0]=3 1154 B11R0.3 O=CCCCCSCCCC=O 62a_200011292268_100000139335 [1,0,0,0,0,0|2,0,0]=3 1155 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [1,0,0,0,0,0|2,0,1]=4 1156 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [1,0,0,0,0,0|2,0,1]=4 1157 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [1,0,0,0,0,0|2,0,1]=4 1158 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [1,0,0,0,0,0|2,0,1]=4 1159 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [1,0,0,0,0,0|2,0,1]=4 1160 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [1,0,0,0,0,0|2,0,1]=4 1161 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [1,0,0,0,0,0|2,0,1]=4 1162 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [1,0,0,0,0,0|2,0,1]=4 1163 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [1,0,0,0,0,0|2,0,1]=4 1164 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [1,0,0,0,0,0|2,0,1]=4 1165 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [1,0,0,0,0,0|2,0,1]=4 1166 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [1,0,0,0,0,0|2,0,1]=4 1167 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [1,0,0,0,0,0|2,0,1]=4 1168 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [1,0,0,0,0,0|2,0,1]=4 1169 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [1,0,0,0,0,0|2,0,1]=4 1170 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [1,0,0,0,0,0|2,0,1]=4 1171 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [1,0,0,0,0,0|2,0,1]=4 1172 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [1,0,0,0,0,0|2,0,1]=4 1173 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [1,0,0,0,0,0|1,0,2]=4 1174 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [1,0,0,0,0,0|1,0,2]=4 1175 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [1,0,0,0,0,0|1,0,2]=4 1176 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [1,0,0,0,0,0|1,0,2]=4 1177 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [1,0,0,0,0,0|1,0,2]=4 1178 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [1,0,0,0,0,0|1,0,2]=4 1179 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [1,0,0,0,0,0|1,0,2]=4 1180 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [1,0,0,0,0,0|1,0,2]=4 1181 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [1,0,0,0,0,0|1,0,0]=2 1182 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [1,0,0,0,0,0|1,0,0]=2 1183 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [1,0,0,0,0,0|1,0,0]=2 1184 B11R0.148 C=CCCCCCCCN(C)C 2230a_100102631434_100012355270 [1,0,0,0,0,0|3,0,0]=4 1185 B11R0.148 C=CCCCCCCCN(C)C 269982a_100102631434_100012355270 [1,0,0,0,0,0|3,0,0]=4 1186 B11R0.148 C=CCCCCCNCC(=O)N 2230a_100000711301_100000700193 [1,0,0,0,0,0|2,0,0]=3 1187 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [1,0,0,0,0,0|1,0,0]=2 1188 B11R0.148 C=CCCCCCNCC(C)O 2230a_100000210904_100000700193 [1,0,0,0,0,0|2,0,1]=4 1189 B11R0.148 C=CCCCCCNCC(C)O 34a_100000210904_100000700193 [1,0,0,0,0,0|2,0,1]=4 1190 B11R0.148 C=CCCCCCOCC(=C)C 34a_100000210245_100000700193 [1,0,0,0,0,0|3,0,0]=4 1191 B11R0.148 C=CCCCCCOCC(=C)C 34a_100011216702_100000748629 [1,0,0,0,0,0|3,0,0]=4 1192 B11R0.148 C=CCCCCCOCC(=C)C 7a_100011216702_100000748629 [1,0,0,0,0,0|3,0,0]=4 1193 B11R0.148 C=CCCCCCOCC(=C)F 34a_100011216702_100009893438 [1,0,0,0,0,0|3,0,0]=4 1194 B11R0.148 C=CCCCCCOCC(=C)F 34a_200010262243_100000700193 [1,0,0,0,0,0|3,0,0]=4 1195 B11R0.148 C=CCCCCCOCC(=C)F 7a_100011216702_100000042424 [1,0,0,0,0,0|3,0,0]=4 1196 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [1,0,0,0,0,0|2,0,0]=3 1197 B11R0.148 C=CCCCCCOCC(=O)N 34a_100011216702_100000187820 [1,0,0,0,0,0|2,0,0]=3 1198 B11R0.148 C=CCCCCCOCC(=O)N 7a_100011216702_100000187820 [1,0,0,0,0,0|2,0,0]=3 1199 B11R0.148 C=CCCCCCOCC(=O)[O-] 34a_100011216702_100020667443 [1,0,0,0,0,0|1,0,1]=3 1200 B11R0.148 C=CCCCCCOCC(C)O 34a_100011216702_100011218427 [1,0,0,0,0,0|2,0,1]=4 1201 B11R0.148 C=CCCCCCOCC(C)O 7a_100011216702_100011218427 [1,0,0,0,0,0|2,0,1]=4 1202 B11R0.148 C=CCCCCCOC[C@@H](C)O 34a_100011216702_100009817552 [1,0,0,0,0,0|2,0,1]=4 1203 B11R0.148 C=CCCCCCOC[C@@H](C)O 7a_100011216702_100009817552 [1,0,0,0,0,0|2,0,1]=4 1204 B11R0.148 C=CCCCCCOC[N+](=O)[O-] 34a_100011216702_100000761209 [1,0,0,0,0,0|2,0,1]=4 1205 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000700193_100000211660 [1,0,0,0,0,0|3,0,0]=4 1206 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000748629_100000700193 [1,0,0,0,0,0|3,0,0]=4 1207 B11R0.148 C=CCCCCCSCC(=C)F 62a_100000042424_100000700193 [1,0,0,0,0,0|3,0,0]=4 1208 B11R0.148 C=CCCCCCSCC(=C)F 62a_100000700193_100000042424 [1,0,0,0,0,0|3,0,0]=4 1209 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000700193_100000747473 [1,0,0,0,0,0|2,0,0]=3 1210 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000747473_100000700193 [1,0,0,0,0,0|2,0,0]=3 1211 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100000700193_100020667443 [1,0,0,0,0,0|1,0,1]=3 1212 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100020667443_100000700193 [1,0,0,0,0,0|1,0,1]=3 1213 B11R0.148 C=CCCCCCSCC(C)O 62a_100000700193_100011218427 [1,0,0,0,0,0|2,0,1]=4 1214 B11R0.148 C=CCCCCCSCC(C)O 62a_100011218427_100000700193 [1,0,0,0,0,0|2,0,1]=4 1215 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100000700193_100009817552 [1,0,0,0,0,0|2,0,1]=4 1216 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100009817552_100000700193 [1,0,0,0,0,0|2,0,1]=4 1217 B11R0.148 C=CCCCCCSC[N+](=O)[O-] 62a_100000700193_100000761209 [1,0,0,0,0,0|2,0,1]=4 1218 B11R0.148 C=CCCCCNCCC(=C)C 2230a_100000703577_100000730704 [1,0,0,0,0,0|3,0,0]=4 1219 B11R0.148 C=CCCCCNCCC(=C)C 34a_100000703577_100000730704 [1,0,0,0,0,0|3,0,0]=4 1220 B11R0.148 C=CCCCCNCCC(=O)N 2230a_100000703577_100000744528 [1,0,0,0,0,0|2,0,0]=3 1221 B11R0.148 C=CCCCCNCCC(=O)N 34a_100000703577_100000731001 [1,0,0,0,0,0|2,0,0]=3 1222 B11R0.148 C=CCCCCNCCC(C)O 2230a_100000703577_100012276601 [1,0,0,0,0,0|2,0,1]=4 1223 B11R0.148 C=CCCCCNCCC(C)O 2230a_200000755665_100011215482 [1,0,0,0,0,0|2,0,1]=4 1224 B11R0.148 C=CCCCCNCCC(C)O 34a_100000703577_100012276601 [1,0,0,0,0,0|2,0,1]=4 1225 B11R0.148 C=CCCCCNCOC(=O)C 34a_100000703577_100009813279 [1,0,0,0,0,0|3,0,0]=4 1226 B11R0.148 C=CCCCCNOCC(=O)O 269956a_100000106656_100011215482 [1,0,0,0,0,0|2,0,0]=3 1227 B11R0.148 C=CCCCCOCCC(=C)Br 34a_100009813270_100011215482 [1,0,0,0,0,0|3,0,0]=4 1228 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000764851_100011215482 [1,0,0,0,0,0|3,0,0]=4 1229 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000766645_100000730704 [1,0,0,0,0,0|3,0,0]=4 1230 B11R0.148 C=CCCCCOCCC(=C)C 7a_100000766645_100000730704 [1,0,0,0,0,0|3,0,0]=4 1231 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [1,0,0,0,0,0|2,0,0]=3 1232 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [1,0,0,0,0,0|2,0,0]=3 1233 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [1,0,0,0,0,0|2,0,0]=3 1234 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000757172_100011215482 [1,0,0,0,0,0|2,0,0]=3 1235 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000766645_100000731001 [1,0,0,0,0,0|2,0,0]=3 1236 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000757172_100011215482 [1,0,0,0,0,0|2,0,0]=3 1237 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000766645_100000744528 [1,0,0,0,0,0|2,0,0]=3 1238 B11R0.148 C=CCCCCOCCC(C)O 34a_100000766645_100012276601 [1,0,0,0,0,0|2,0,1]=4 1239 B11R0.148 C=CCCCCOCCC(C)O 7a_100000766645_100012276601 [1,0,0,0,0,0|2,0,1]=4 1240 B11R0.148 C=CCCCCOCOC(=O)C 34a_100000766645_100009813279 [1,0,0,0,0,0|3,0,0]=4 1241 B11R0.148 C=CCCCCSCCC(=C)C 62a_100000730704_100011215482 [1,0,0,0,0,0|3,0,0]=4 1242 B11R0.148 C=CCCCCSCCC(=C)C 62a_100011215482_100000730704 [1,0,0,0,0,0|3,0,0]=4 1243 B11R0.148 C=CCCCCSCCC(=O)C 62a_100000053229_100011215482 [1,0,0,0,0,0|2,0,0]=3 1244 B11R0.148 C=CCCCCSCCC(=O)C 62a_100011215482_100000053229 [1,0,0,0,0,0|2,0,0]=3 1245 B11R0.148 C=CCCCCSCCC(=O)N 62a_100000744528_100011215482 [1,0,0,0,0,0|2,0,0]=3 1246 B11R0.148 C=CCCCCSCCC(=O)N 62a_100011215482_100000744528 [1,0,0,0,0,0|2,0,0]=3 1247 B11R0.148 C=CCCCCSCCC(C)O 62a_100011215482_100012276601 [1,0,0,0,0,0|2,0,1]=4 1248 B11R0.148 C=CCCCCSCCC(C)O 62a_100012276601_100011215482 [1,0,0,0,0,0|2,0,1]=4 1249 B11R0.148 C=CCCCCSCOC(=O)C 62a_100000076356_100011215482 [1,0,0,0,0,0|3,0,0]=4 1250 B11R0.148 C=CCCCCSCOC(=O)C 62a_100011215482_100000076356 [1,0,0,0,0,0|3,0,0]=4 1251 B11R0.148 C=CCCCNCCCC(=O)C 34a_100000700776_100000685027 [1,0,0,0,0,0|2,0,0]=3 1252 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000700776_100102525003 [1,0,0,0,0,0|2,0,0]=3 1253 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000739312_100000757094 [1,0,0,0,0,0|2,0,0]=3 1254 B11R0.148 C=CCCCNCCCC(C)O 2230a_100000700776_200000718107 [1,0,0,0,0,0|2,0,1]=4 1255 B11R0.148 C=CCCCNCCCC(C)O 34a_100000700776_200000718107 [1,0,0,0,0,0|2,0,1]=4 1256 B11R0.148 C=CCCCNCCCS(=O)C 2230a_200000753449_100011713584 [1,0,0,0,0,0|3,0,0]=4 1257 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000209853_100011713584 [1,0,0,0,0,0|3,0,0]=4 1258 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000700776_100000189650 [1,0,0,0,0,0|3,0,0]=4 1259 B11R0.148 C=CCCCNCCNC(=O)N 2230a_100000700776_200000034859 [1,0,0,0,0,0|3,0,0]=4 1260 B11R0.148 C=CCCCNCCNC(=O)N 34a_100020590234_100000757094 [1,0,0,0,0,0|3,0,0]=4 1261 B11R0.148 C=CCCCNCCOC(=O)C 34a_100000700776_100009814007 [1,0,0,0,0,0|3,0,0]=4 1262 B11R0.148 C=CCCCNCCOC(=O)N 34a_100000700776_200011214921 [1,0,0,0,0,0|3,0,0]=4 1263 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [1,0,0,0,0,0|2,0,0]=3 1264 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [1,0,0,0,0,0|2,0,0]=3 1265 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [1,0,0,0,0,0|2,0,0]=3 1266 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [1,0,0,0,0,0|2,0,0]=3 1267 B11R0.148 C=CCCCOCCCC(=O)N 34a_100000758997_100102525003 [1,0,0,0,0,0|2,0,0]=3 1268 B11R0.148 C=CCCCOCCCC(=O)N 7a_100000758997_100102525003 [1,0,0,0,0,0|2,0,0]=3 1269 B11R0.148 C=CCCCOCCCC(C)O 34a_100000758997_200000718107 [1,0,0,0,0,0|2,0,1]=4 1270 B11R0.148 C=CCCCOCCCC(C)O 7a_100000758997_200000718107 [1,0,0,0,0,0|2,0,1]=4 1271 B11R0.148 C=CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000757094 [1,0,0,0,0,0|2,0,1]=4 1272 B11R0.148 C=CCCCOCCNC(=O)C 34a_100000158858_100000757094 [1,0,0,0,0,0|3,0,0]=4 1273 B11R0.148 C=CCCCOCCNC(=O)C 7a_100000758997_100000189650 [1,0,0,0,0,0|3,0,0]=4 1274 B11R0.148 C=CCCCOCCNC(=O)N 34a_100000181757_100000757094 [1,0,0,0,0,0|3,0,0]=4 1275 B11R0.148 C=CCCCOCCNC(=O)N 7a_100000758997_200000034859 [1,0,0,0,0,0|3,0,0]=4 1276 B11R0.148 C=CCCCOCCOC(=O)C 34a_100000758997_100009814007 [1,0,0,0,0,0|3,0,0]=4 1277 B11R0.148 C=CCCCOCCOC(=O)C 7a_100000758997_100009814007 [1,0,0,0,0,0|3,0,0]=4 1278 B11R0.148 C=CCCCOCCOC(=O)N 34a_100000758997_200011214921 [1,0,0,0,0,0|3,0,0]=4 1279 B11R0.148 C=CCCCOCCOC(=O)N 7a_100000758997_200011214921 [1,0,0,0,0,0|3,0,0]=4 1280 B11R0.148 C=CCCCOCCOC(=O)N 7a_100000766696_100000757094 [1,0,0,0,0,0|3,0,0]=4 1281 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011215641_100000757094 [1,0,0,0,0,0|2,0,0]=3 1282 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011713584_100011215641 [1,0,0,0,0,0|2,0,0]=3 1283 B11R0.148 C=CCCCSCCCC(=O)N 62a_100011713584_100102525003 [1,0,0,0,0,0|2,0,0]=3 1284 B11R0.148 C=CCCCSCCCC(=O)N 62a_100102525003_100000757094 [1,0,0,0,0,0|2,0,0]=3 1285 B11R0.148 C=CCCCSCCCC(C)O 62a_100011713584_200000718107 [1,0,0,0,0,0|2,0,1]=4 1286 B11R0.148 C=CCCCSCCCC(C)O 62a_200000718107_100000757094 [1,0,0,0,0,0|2,0,1]=4 1287 B11R0.148 C=CCCCSCCNC(=O)C 62a_100000189650_100000757094 [1,0,0,0,0,0|3,0,0]=4 1288 B11R0.148 C=CCCCSCCNC(=O)C 62a_100011713584_100000189650 [1,0,0,0,0,0|3,0,0]=4 1289 B11R0.148 C=CCCCSCCNC(=O)N 62a_100011713584_200000034859 [1,0,0,0,0,0|3,0,0]=4 1290 B11R0.148 C=CCCCSCCNC(=O)N 62a_200000034859_100000757094 [1,0,0,0,0,0|3,0,0]=4 1291 B11R0.148 C=CCCCSCCOC(=O)C 62a_100009814007_100000757094 [1,0,0,0,0,0|3,0,0]=4 1292 B11R0.148 C=CCCCSCCOC(=O)C 62a_100011713584_100009814007 [1,0,0,0,0,0|3,0,0]=4 1293 B11R0.148 C=CCCCSCCOC(=O)N 62a_100011713584_200011214921 [1,0,0,0,0,0|3,0,0]=4 1294 B11R0.148 C=CCCCSCCOC(=O)N 62a_200011214921_100000757094 [1,0,0,0,0,0|3,0,0]=4 1295 B11R0.148 C=CCCNCCCCB(O)O 2230a_100015191253_200009817182 [1,0,0,0,0,0|2,0,1]=4 1296 B11R0.148 C=CCCNCCCCC(=O)N 34a_100000696515_100000754431 [1,0,0,0,0,0|2,0,0]=3 1297 B11R0.148 C=CCCNCCCNC(=O)C 34a_100000736810_100000754431 [1,0,0,0,0,0|3,0,0]=4 1298 B11R0.148 C=CCCNCCCSC(=O)C 2230a_100015191253_100000038929 [1,0,0,0,0,0|3,0,0]=4 1299 B11R0.148 C=CCCNCCOCC(=O)N 2230a_100015191253_100000076697 [1,0,0,0,0,0|3,0,0]=4 1300 B11R0.148 C=CCCNCCOCC(=O)O 269956a_100000700818_100000754431 [1,0,0,0,0,0|2,0,0]=3 1301 B11R0.148 C=CCCOCCCCB(O)O 34a_100011205117_200009817182 [1,0,0,0,0,0|2,0,1]=4 1302 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [1,0,0,0,0,0|2,0,0]=3 1303 B11R0.148 C=CCCOCCCCC(=O)N 34a_100012022536_100000754431 [1,0,0,0,0,0|2,0,0]=3 1304 B11R0.148 C=CCCOCCCCC(=O)N 7a_100012022536_100000754431 [1,0,0,0,0,0|2,0,0]=3 1305 B11R0.148 C=CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000754431 [1,0,0,0,0,0|2,0,1]=4 1306 B11R0.148 C=CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000754431 [1,0,0,0,0,0|2,0,1]=4 1307 B11R0.148 C=CCCOCCCNC(=O)C 34a_100000752032_100000754431 [1,0,0,0,0,0|3,0,0]=4 1308 B11R0.148 C=CCCOCCCOC(=O)C 34a_100011205117_100000042594 [1,0,0,0,0,0|3,0,0]=4 1309 B11R0.148 C=CCCOCCCSC(=O)C 34a_100011205117_100000038929 [1,0,0,0,0,0|3,0,0]=4 1310 B11R0.148 C=CCCOCCOCC(=O)N 34a_100011205117_100000076697 [1,0,0,0,0,0|3,0,0]=4 1311 B11R0.148 C=CCCSCCCCB(O)O 62a_100000754431_200009817182 [1,0,0,0,0,0|2,0,1]=4 1312 B11R0.148 C=CCCSCCCCB(O)O 62a_200009817182_100000754431 [1,0,0,0,0,0|2,0,1]=4 1313 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000735457_100000754431 [1,0,0,0,0,0|2,0,0]=3 1314 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000754431_100000735457 [1,0,0,0,0,0|2,0,0]=3 1315 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000042594_100000754431 [1,0,0,0,0,0|3,0,0]=4 1316 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000754431_100000042594 [1,0,0,0,0,0|3,0,0]=4 1317 B11R0.148 C=CCCSCCCSC(=O)C 62a_100000038929_100000754431 [1,0,0,0,0,0|3,0,0]=4 1318 B11R0.148 C=CCCSCCCSC(=O)C 62a_100000754431_100000038929 [1,0,0,0,0,0|3,0,0]=4 1319 B11R0.148 C=CCCSCCOCC(=O)N 62a_100000076697_100000754431 [1,0,0,0,0,0|3,0,0]=4 1320 B11R0.148 C=CCCSCCOCC(=O)N 62a_100000754431_100000076697 [1,0,0,0,0,0|3,0,0]=4 1321 B11R0.148 C=CCNCCCCCB(O)O 2230a_100020586998_200009817188 [1,0,0,0,0,0|2,0,1]=4 1322 B11R0.148 C=CCNCCCCCC(=O)N 2230a_100020586998_100009817443 [1,0,0,0,0,0|2,0,0]=3 1323 B11R0.148 C=CCNCCCCNC(=O)C 2230a_200011368371_100000210623 [1,0,0,0,0,0|3,0,0]=4 1324 B11R0.148 C=CCNCCCCNC(=O)C 34a_200011368371_100015514636 [1,0,0,0,0,0|3,0,0]=4 1325 B11R0.148 C=CCNCCCCSC(=O)C 2230a_100020586998_200010402107 [1,0,0,0,0,0|3,0,0]=4 1326 B11R0.148 C=CCOCCCCCB(O)O 34a_200000210373_200009817188 [1,0,0,0,0,0|2,0,1]=4 1327 B11R0.148 C=CCOCCCCCC(=O)N 34a_100000123541_100015514636 [1,0,0,0,0,0|2,0,0]=3 1328 B11R0.148 C=CCOCCCCCC(=O)N 34a_200000210373_100009817443 [1,0,0,0,0,0|2,0,0]=3 1329 B11R0.148 C=CCOCCCCCC(=O)N 7a_100000123541_100015514636 [1,0,0,0,0,0|2,0,0]=3 1330 B11R0.148 C=CCOCCCCCC(=O)[O-] 7a_100102619762_100015514636 [1,0,0,0,0,0|1,0,1]=3 1331 B11R0.148 C=CCOCCCCOC(=O)C 34a_100000073216_100015514636 [1,0,0,0,0,0|3,0,0]=4 1332 B11R0.148 C=CCOCCCCOC(=O)C 34a_200000210373_100000033659 [1,0,0,0,0,0|3,0,0]=4 1333 B11R0.148 C=CCOCCCCOC(=O)C 7a_100000073216_100015514636 [1,0,0,0,0,0|3,0,0]=4 1334 B11R0.148 C=CCOCCCCSC(=O)C 34a_200000210373_200010402107 [1,0,0,0,0,0|3,0,0]=4 1335 B11R0.148 C=CCOCCOCCC(=O)C 7a_100000037705_100000053229 [1,0,0,0,0,0|3,0,0]=4 1336 B11R0.148 C=CCOCCOCCC(=O)N 34a_100000037705_100000731001 [1,0,0,0,0,0|3,0,0]=4 1337 B11R0.148 C=CCOCCOCCC(=O)N 7a_100000037705_100000744528 [1,0,0,0,0,0|3,0,0]=4 1338 B11R0.148 C=CCSCCCCCB(O)O 62a_100000210623_200009817188 [1,0,0,0,0,0|2,0,1]=4 1339 B11R0.148 C=CCSCCCCCB(O)O 62a_200009817188_100000210623 [1,0,0,0,0,0|2,0,1]=4 1340 B11R0.148 C=CCSCCCCCC(=O)N 62a_100000210623_100009817443 [1,0,0,0,0,0|2,0,0]=3 1341 B11R0.148 C=CCSCCCCCC(=O)N 62a_100009817443_100000210623 [1,0,0,0,0,0|2,0,0]=3 1342 B11R0.148 C=CCSCCCCOC(=O)C 62a_100000033659_100000210623 [1,0,0,0,0,0|3,0,0]=4 1343 B11R0.148 C=CCSCCCCOC(=O)C 62a_100000210623_100000033659 [1,0,0,0,0,0|3,0,0]=4 1344 B11R0.148 C=CCSCCCCSC(=O)C 62a_100000210623_200010402107 [1,0,0,0,0,0|3,0,0]=4 1345 B11R0.148 C=CCSCCCCSC(=O)C 62a_200010402107_100000210623 [1,0,0,0,0,0|3,0,0]=4 1346 B11R0.148 C=COCCCCOCC(=O)N 34a_100000031558_100000187820 [1,0,0,0,0,0|3,0,0]=4 1347 B11R0.148 C=COCCCCOCC(=O)N 7a_100000031558_100000187820 [1,0,0,0,0,0|3,0,0]=4 1348 B11R0.148 C=COCCCCOCC(=O)[O-] 34a_100000031558_100020667443 [1,0,0,0,0,0|2,0,1]=4 1349 B11R0.148 C=COCCCNCCC(=O)N 2230a_100000210767_100000744528 [1,0,0,0,0,0|3,0,0]=4 1350 B11R0.148 C=COCCCNCCC(=O)N 34a_100000210767_100000731001 [1,0,0,0,0,0|3,0,0]=4 1351 B11R0.148 C=COCCNCCCC(=O)N 34a_100000739312_100000039644 [1,0,0,0,0,0|3,0,0]=4 1352 B11R0.148 C=COCCOCCCC(=O)C 34a_100000033082_100000685027 [1,0,0,0,0,0|3,0,0]=4 1353 B11R0.148 C=COCCOCCCC(=O)C 34a_100000759063_100000039644 [1,0,0,0,0,0|3,0,0]=4 1354 B11R0.148 C=COCCOCCCC(=O)C 7a_100000759063_100000039644 [1,0,0,0,0,0|3,0,0]=4 1355 B11R0.148 C=COCCOCCCC(=O)N 34a_100000033082_100102525003 [1,0,0,0,0,0|3,0,0]=4 1356 B11R0.148 C=COCCSCCCC(=O)C 62a_100000039644_100011215641 [1,0,0,0,0,0|3,0,0]=4 1357 B11R0.148 C=COCCSCCCC(=O)C 62a_100011215641_100000039644 [1,0,0,0,0,0|3,0,0]=4 1358 B11R0.148 C=COCCSCCCC(=O)N 62a_100000039644_100102525003 [1,0,0,0,0,0|3,0,0]=4 1359 B11R0.148 C=COCCSCCCC(=O)N 62a_100102525003_100000039644 [1,0,0,0,0,0|3,0,0]=4 1360 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [1,0,0,0,0,0|2,0,0]=3 1361 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [1,0,0,0,0,0|3,0,0]=4 1362 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [1,0,0,0,0,0|3,0,0]=4 1363 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [1,0,0,0,0,0|3,0,0]=4 1364 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [1,0,0,0,0,0|3,0,0]=4 1365 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [1,0,0,0,0,0|3,0,0]=4 1366 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [1,0,0,0,0,0|3,0,0]=4 1367 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [1,0,0,0,0,0|3,0,0]=4 1368 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [1,0,0,0,0,0|3,0,0]=4 1369 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [1,0,0,0,0,0|3,0,0]=4 1370 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [1,0,0,0,0,0|3,0,0]=4 1371 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [1,0,0,0,0,0|3,0,0]=4 1372 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [1,0,0,0,0,0|3,0,0]=4 1373 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [1,0,0,0,0,0|3,0,0]=4 1374 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [1,0,0,0,0,0|3,0,0]=4 1375 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [1,0,0,0,0,0|3,0,0]=4 1376 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [1,0,0,0,0,0|3,0,0]=4 1377 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [1,0,0,0,0,0|3,0,0]=4 1378 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [1,0,0,0,0,0|3,0,0]=4 1379 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [1,0,0,0,0,0|3,0,0]=4 1380 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [1,0,0,0,0,0|3,0,0]=4 1381 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [1,0,0,0,0,0|3,0,0]=4 1382 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [1,0,0,0,0,0|3,0,0]=4 1383 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [1,0,0,0,0,0|3,0,0]=4 1384 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [1,0,0,0,0,0|3,0,0]=4 1385 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [1,0,0,0,0,0|3,0,0]=4 1386 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [1,0,0,0,0,0|3,0,0]=4 1387 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [1,0,0,0,0,0|3,0,0]=4 1388 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [1,0,0,0,0,0|3,0,0]=4 1389 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [1,0,0,0,0,0|3,0,0]=4 1390 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [1,0,0,0,0,0|3,0,0]=4 1391 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [1,0,0,0,0,0|3,0,0]=4 1392 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [1,0,0,0,0,0|3,0,0]=4 1393 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [1,0,0,0,0,0|3,0,0]=4 1394 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [1,0,0,0,0,0|3,0,0]=4 1395 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [1,0,0,0,0,0|3,0,0]=4 1396 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [1,0,0,0,0,0|3,0,0]=4 1397 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [1,0,0,0,0,0|3,0,0]=4 1398 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [1,0,0,0,0,0|3,0,0]=4 1399 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [1,0,0,0,0,0|3,0,0]=4 1400 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [1,0,0,0,0,0|3,0,0]=4 1401 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [1,0,0,0,0,0|3,0,0]=4 1402 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [1,0,0,0,0,0|3,0,0]=4 1403 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [1,0,0,0,0,0|3,0,0]=4 1404 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [1,0,0,0,0,0|3,0,0]=4 1405 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [1,0,0,0,0,0|3,0,0]=4 1406 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,0,0,0,0,0|1,0,1]=3 1407 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,0,0,0,0,0|1,0,1]=3 1408 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,0,0,0,0,0|1,0,1]=3 1409 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [1,0,0,0,0,0|2,0,1]=4 1410 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [1,0,0,0,0,0|2,0,1]=4 1411 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [1,0,0,0,0,0|2,0,1]=4 1412 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [1,0,0,0,0,0|2,0,1]=4 1413 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [1,0,0,0,0,0|2,0,1]=4 1414 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [1,0,0,0,0,0|2,0,1]=4 1415 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [1,0,0,0,0,0|1,0,1]=3 1416 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,0,0,0,0,0|2,0,1]=4 1417 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [1,0,0,0,0,0|2,0,1]=4 1418 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [1,0,0,0,0,0|2,0,1]=4 1419 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [1,0,0,0,0,0|1,0,2]=4 1420 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [1,0,0,0,0,0|2,0,1]=4 1421 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [1,0,0,0,0,0|2,0,1]=4 1422 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [1,0,0,0,0,0|1,0,2]=4 1423 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [1,0,0,0,0,0|1,0,2]=4 1424 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [1,0,0,0,0,0|2,0,1]=4 1425 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [1,0,0,0,0,0|2,0,1]=4 1426 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,0,0,0,0,0|2,0,1]=4 1427 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,0,0,0,0,0|2,0,1]=4 1428 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,0,0,0,0,0|2,0,1]=4 1429 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [1,0,0,0,0,0|2,0,1]=4 1430 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [1,0,0,0,0,0|2,0,1]=4 1431 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [1,0,0,0,0,0|2,0,1]=4 1432 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [1,0,0,0,0,0|2,0,1]=4 1433 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [1,0,0,0,0,0|2,0,1]=4 1434 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [1,0,0,0,0,0|2,0,1]=4 1435 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [1,0,0,0,0,0|2,0,1]=4 1436 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [1,0,0,0,0,0|2,0,1]=4 1437 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [1,0,0,0,0,0|2,0,1]=4 1438 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [1,0,0,0,0,0|2,0,1]=4 1439 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [1,0,0,0,0,0|2,0,1]=4 1440 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [1,0,0,0,0,0|2,0,1]=4 1441 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [1,0,0,0,0,0|2,0,1]=4 1442 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [1,0,0,0,0,0|2,0,1]=4 1443 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [1,0,0,0,0,0|2,0,1]=4 1444 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [1,0,0,0,0,0|2,0,1]=4 1445 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [1,0,0,0,0,0|2,0,1]=4 1446 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [1,0,0,0,0,0|2,0,1]=4 1447 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [1,0,0,0,0,0|2,0,1]=4 1448 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [1,0,0,0,0,0|2,0,1]=4 1449 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [1,0,0,0,0,0|2,0,1]=4 1450 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [1,0,0,0,0,0|2,0,1]=4 1451 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,0,0,0,0,0|2,0,1]=4 1452 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,0,0,0,0,0|2,0,1]=4 1453 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [1,0,0,0,0,0|2,0,1]=4 1454 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [1,0,0,0,0,0|2,0,1]=4 1455 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [1,0,0,0,0,0|2,0,1]=4 1456 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [1,0,0,0,0,0|2,0,1]=4 1457 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [1,0,0,0,0,0|2,0,1]=4 1458 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [1,0,0,0,0,0|2,0,1]=4 1459 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [1,0,0,0,0,0|2,0,1]=4 1460 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [1,0,0,0,0,0|2,0,1]=4 1461 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [1,0,0,0,0,0|1,0,2]=4 1462 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [1,0,0,0,0,0|2,0,1]=4 1463 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [1,0,0,0,0,0|2,0,1]=4 1464 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [1,0,0,0,0,0|2,0,1]=4 1465 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [1,0,0,0,0,0|3,0,0]=4 1466 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [1,0,0,0,0,0|3,0,0]=4 1467 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [1,0,0,0,0,0|3,0,0]=4 1468 B11R0.148 NC(=O)CCCCCOCC=O 34a_100000123541_200009817547 [1,0,0,0,0,0|3,0,0]=4 1469 B11R0.148 NC(=O)CCCCCOCC=O 7a_100000123541_200015260668 [1,0,0,0,0,0|3,0,0]=4 1470 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [1,0,0,0,0,0|3,0,0]=4 1471 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [1,0,0,0,0,0|3,0,0]=4 1472 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [1,0,0,0,0,0|3,0,0]=4 1473 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [1,0,0,0,0,0|3,0,0]=4 1474 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [1,0,0,0,0,0|3,0,0]=4 1475 B11R0.148 NC(=O)CCCCCSCC=O 62a_100009817443_200015260668 [1,0,0,0,0,0|3,0,0]=4 1476 B11R0.148 NC(=O)CCCCCSCC=O 62a_200015260668_100009817443 [1,0,0,0,0,0|3,0,0]=4 1477 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [1,0,0,0,0,0|3,0,0]=4 1478 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [1,0,0,0,0,0|3,0,0]=4 1479 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [1,0,0,0,0,0|3,0,0]=4 1480 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [1,0,0,0,0,0|3,0,0]=4 1481 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [1,0,0,0,0,0|3,0,0]=4 1482 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [1,0,0,0,0,0|3,0,0]=4 1483 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [1,0,0,0,0,0|3,0,0]=4 1484 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [1,0,0,0,0,0|3,0,0]=4 1485 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [1,0,0,0,0,0|3,0,0]=4 1486 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [1,0,0,0,0,0|3,0,0]=4 1487 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [1,0,0,0,0,0|3,0,0]=4 1488 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [1,0,0,0,0,0|3,0,0]=4 1489 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [1,0,0,0,0,0|3,0,0]=4 1490 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [1,0,0,0,0,0|3,0,0]=4 1491 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [1,0,0,0,0,0|3,0,0]=4 1492 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [1,0,0,0,0,0|3,0,0]=4 1493 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [1,0,0,0,0,0|3,0,0]=4 1494 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [1,0,0,0,0,0|3,0,0]=4 1495 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [1,0,0,0,0,0|3,0,0]=4 1496 B11R0.148 NC(=O)CCCSCCCC=O 62a_100102525003_200011292268 [1,0,0,0,0,0|3,0,0]=4 1497 B11R0.148 NC(=O)CCCSCCCC=O 62a_200011292268_100102525003 [1,0,0,0,0,0|3,0,0]=4 1498 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [1,0,0,0,0,0|3,0,0]=4 1499 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [1,0,0,0,0,0|3,0,0]=4 1500 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [1,0,0,0,0,0|3,0,0]=4 1501 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [1,0,0,0,0,0|3,0,0]=4 1502 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [1,0,0,0,0,0|3,0,0]=4 1503 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [1,0,0,0,0,0|3,0,0]=4 1504 B11R0.148 NC(=O)CCOCCCCC=O 7a_100000757172_100000139335 [1,0,0,0,0,0|3,0,0]=4 1505 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [1,0,0,0,0,0|3,0,0]=4 1506 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [1,0,0,0,0,0|3,0,0]=4 1507 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [1,0,0,0,0,0|3,0,0]=4 1508 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [1,0,0,0,0,0|3,0,0]=4 1509 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [1,0,0,0,0,0|3,0,0]=4 1510 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [1,0,0,0,0,0|3,0,0]=4 1511 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [1,0,0,0,0,0|3,0,0]=4 1512 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [1,0,0,0,0,0|3,0,0]=4 1513 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [1,0,0,0,0,0|3,0,0]=4 1514 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [1,0,0,0,0,0|3,0,0]=4 1515 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000139335_100000744528 [1,0,0,0,0,0|3,0,0]=4 1516 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000744528_100000139335 [1,0,0,0,0,0|3,0,0]=4 1517 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [1,0,0,0,0,0|3,0,0]=4 1518 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [1,0,0,0,0,0|3,0,0]=4 1519 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [1,0,0,0,0,0|3,0,0]=4 1520 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [1,0,0,0,0,0|3,0,0]=4 1521 B11R0.148 NC(=O)CNCCCCCC=O 2230a_100000711301_100000139337 [1,0,0,0,0,0|3,0,0]=4 1522 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [1,0,0,0,0,0|3,0,0]=4 1523 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [1,0,0,0,0,0|3,0,0]=4 1524 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [1,0,0,0,0,0|3,0,0]=4 1525 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [1,0,0,0,0,0|3,0,0]=4 1526 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [1,0,0,0,0,0|3,0,0]=4 1527 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [1,0,0,0,0,0|3,0,0]=4 1528 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [1,0,0,0,0,0|3,0,0]=4 1529 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [1,0,0,0,0,0|3,0,0]=4 1530 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [1,0,0,0,0,0|3,0,0]=4 1531 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [1,0,0,0,0,0|3,0,0]=4 1532 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000139337_100000747473 [1,0,0,0,0,0|3,0,0]=4 1533 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000747473_100000139337 [1,0,0,0,0,0|3,0,0]=4 1534 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [1,0,0,0,0,0|3,0,0]=4 1535 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [1,0,0,0,0,0|3,0,0]=4 1536 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [1,0,0,0,0,0|3,0,0]=4 1537 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [1,0,0,0,0,0|3,0,0]=4 1538 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [1,0,0,0,0,0|3,0,0]=4 1539 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [1,0,0,0,0,0|2,0,1]=4 1540 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [1,0,0,0,0,0|3,0,0]=4 1541 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [1,0,0,0,0,0|3,0,0]=4 1542 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [1,0,0,0,0,0|3,0,0]=4 1543 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [1,0,0,0,0,0|2,0,0]=3 1544 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [1,0,0,0,0,0|2,0,0]=3 1545 B11R0.148 O=C(O)COCCNCCCF 269956a_100000700818_100011934791 [1,0,0,0,0,0|3,0,0]=4 1546 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [1,0,0,0,0,0|3,0,0]=4 1547 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [1,0,0,0,0,0|3,0,0]=4 1548 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [1,0,0,0,0,0|3,0,0]=4 1549 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [1,0,0,0,0,0|2,0,1]=4 1550 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [1,0,0,0,0,0|2,0,1]=4 1551 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [1,0,0,0,0,0|2,0,1]=4 1552 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [1,0,0,0,0,0|2,0,1]=4 1553 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [1,0,0,0,0,0|2,0,1]=4 1554 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [1,0,0,0,0,0|2,0,1]=4 1555 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [1,0,0,0,0,0|2,0,1]=4 1556 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [1,0,0,0,0,0|2,0,1]=4 1557 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [1,0,0,0,0,0|2,0,1]=4 1558 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [1,0,0,0,0,0|2,0,1]=4 1559 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [1,0,0,0,0,0|2,0,0]=3 1560 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100000139337_100020667443 [1,0,0,0,0,0|2,0,1]=4 1561 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100020667443_100000139337 [1,0,0,0,0,0|2,0,1]=4 1562 B11R0.148 O=CCCCCNOCC(=O)O 269956a_100000106656_100000139335 [1,0,0,0,0,0|3,0,0]=4 1563 B11R0.148 O=CCOCCCCCC(=O)[O-] 7a_100102619762_200015260668 [1,0,0,0,0,0|2,0,1]=4 1564 B13R0.1 C#CCCCCN(C)CCCC(=O)O 269956a_100000719178_100010269958 [0,1,0,0,0,0|1,0,2]=4 1565 B13R0.1 C=CCCCCC(=O)CCCC(=O)C 1458a_100011215552_100011215641 [0,1,0,0,0,0|1,0,1]=3 1566 B13R0.1 C=CCCCCC(=O)CCCC(=O)N 1458a_100011215552_100102525003 [0,1,0,0,0,0|1,0,1]=3 1567 B13R0.1 C=CCCCCC(=O)CCCC(C)O 1458a_100011215552_200000718107 [0,1,0,0,0,0|1,0,2]=4 1568 B13R0.1 C=CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011215482 [0,1,0,0,0,0|1,0,2]=4 1569 B13R0.1 C=CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100011215482 [0,1,0,0,0,0|2,0,1]=4 1570 B13R0.1 C=CCCCCC(=O)CCNC(=O)C 1458a_100011215552_100000189650 [0,1,0,0,0,0|2,0,1]=4 1571 B13R0.1 C=CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100011215482 [0,1,0,0,0,0|2,0,1]=4 1572 B13R0.1 C=CCCCCC(=O)CCNC(=O)N 1458a_100011215552_200000034859 [0,1,0,0,0,0|2,0,1]=4 1573 B13R0.1 C=CCCCCC(=O)CCOC(=O)C 1458a_100011215552_100009814007 [0,1,0,0,0,0|2,0,1]=4 1574 B13R0.1 C=CCCCCC(=O)CCOC(=O)N 1458a_100011215552_200011214921 [0,1,0,0,0,0|2,0,1]=4 1575 B13R0.1 C=CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100011215482 [0,1,0,0,0,0|2,0,1]=4 1576 B13R0.1 C=CCCCCC(=O)COCC(=O)N 1458a_100011219004_100011215482 [0,1,0,0,0,0|2,0,1]=4 1577 B13R0.1 C=CCCCCC(=O)NCCC(=O)N 11a_100000740010_100011215552 [0,1,0,0,0,0|2,0,1]=4 1578 B13R0.1 C=CCCCCC(=O)NCCC(=O)N 240690a_100000740010_100011215552 [0,1,0,0,0,0|2,0,1]=4 1579 B13R0.1 C=CCCCCC(=O)NCCC(=O)N 527a_100000740010_100011215552 [0,1,0,0,0,0|2,0,1]=4 1580 B13R0.1 C=CCCCCN(C)CCCC(=O)C 269982a_100012000471_100011215641 [0,1,0,0,0,0|2,0,0]=3 1581 B13R0.1 C=CCCCCN(C)CCCC(=O)N 269982a_100012000471_100102525003 [0,1,0,0,0,0|2,0,0]=3 1582 B13R0.1 C=CCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215482 [0,1,0,0,0,0|1,0,0]=2 1583 B13R0.1 C=CCCCCN(C)CCCC(C)O 2230a_100012000471_200000718107 [0,1,0,0,0,0|2,0,1]=4 1584 B13R0.1 C=CCCCCN(C)CCCC(C)O 269982a_100012000471_200000718107 [0,1,0,0,0,0|2,0,1]=4 1585 B13R0.1 C=CCCCCN(C)CCNC(=O)C 2230a_100012000471_100000189650 [0,1,0,0,0,0|3,0,0]=4 1586 B13R0.1 C=CCCCCN(C)CCNC(=O)C 269982a_100012000471_100000189650 [0,1,0,0,0,0|3,0,0]=4 1587 B13R0.1 C=CCCCCN(C)CCNC(=O)N 2230a_100012000471_200000034859 [0,1,0,0,0,0|3,0,0]=4 1588 B13R0.1 C=CCCCCN(C)CCNC(=O)N 269982a_100012000471_200000034859 [0,1,0,0,0,0|3,0,0]=4 1589 B13R0.1 C=CCCCCN(C)CCOC(=O)C 269982a_100012000471_100009814007 [0,1,0,0,0,0|3,0,0]=4 1590 B13R0.1 C=CCCCCN(C)CCOC(=O)N 269982a_100012000471_200011214921 [0,1,0,0,0,0|3,0,0]=4 1591 B13R0.1 C=CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000757094 [0,1,0,0,0,0|1,0,1]=3 1592 B13R0.1 C=CCOCCC(=O)CCCC(=O)C 1458a_200011217002_100011215641 [0,1,0,0,0,0|2,0,1]=4 1593 B13R0.1 C=CCOCCC(=O)CCCC(=O)N 1458a_200011217002_100102525003 [0,1,0,0,0,0|2,0,1]=4 1594 B13R0.1 C=COCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000039644 [0,1,0,0,0,0|2,0,1]=4 1595 B13R0.1 CC(CCCC(=O)[O-])OCCCC=O 7a_100000761597_200011292268 [0,1,0,0,0,0|2,0,1]=4 1596 B13R0.1 CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210757 [0,1,0,0,0,0|1,0,2]=4 1597 B13R0.1 CN(CCCCC#N)CCCC(=O)O 269956a_100000719178_100011219923 [0,1,0,0,0,0|2,0,1]=4 1598 B13R0.1 CN(CCCCC=O)CCCC(=O)O 269956a_100000719178_100000139335 [0,1,0,0,0,0|2,0,0]=3 1599 B13R0.1 CN(CCCCCF)CCCC(=O)O 269956a_100000719178_100000729378 [0,1,0,0,0,0|2,0,1]=4 1600 B13R0.1 CN(CCCCCO)CCCC(=O)O 269956a_100000719178_100000746330 [0,1,0,0,0,0|2,0,1]=4 1601 B13R0.1 COCCCCN(C)CCCC(=O)O 269956a_100000719178_100000730899 [0,1,0,0,0,0|2,0,1]=4 1602 B13R0.54 C#CCCCCCCCNCC(=O)N 2230a_100000711301_100153394163 [0,1,0,0,0,0|1,0,2]=4 1603 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [0,1,0,0,0,0|0,0,2]=3 1604 B13R0.54 C#CCCCCCCCOCC(=O)C 34a_100000211253_100153394163 [0,1,0,0,0,0|1,0,2]=4 1605 B13R0.54 C#CCCCCCCCOCC(=O)N 34a_100000054614_100000187820 [0,1,0,0,0,0|1,0,2]=4 1606 B13R0.54 C#CCCCCCCCOCC(=O)N 7a_100000054614_100000187820 [0,1,0,0,0,0|1,0,2]=4 1607 B13R0.54 C#CCCCCCCCOCC(=O)[O-] 34a_100000054614_100020667443 [0,1,0,0,0,0|0,0,3]=4 1608 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100000747473_100153394163 [0,1,0,0,0,0|1,0,2]=4 1609 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100153394163_100000747473 [0,1,0,0,0,0|1,0,2]=4 1610 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100020667443_100153394163 [0,1,0,0,0,0|0,0,3]=4 1611 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100153394163_100020667443 [0,1,0,0,0,0|0,0,3]=4 1612 B13R0.54 C#CCCCCCCNOCC(=O)O 269956a_100000106656_100012276617 [0,1,0,0,0,0|1,0,2]=4 1613 B13R0.54 C#CCCCCCCOCCC(=O)C 34a_100000759926_100012276617 [0,1,0,0,0,0|1,0,2]=4 1614 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100000759926_100012276617 [0,1,0,0,0,0|1,0,2]=4 1615 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100011217361_100000053229 [0,1,0,0,0,0|1,0,2]=4 1616 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100000757172_100012276617 [0,1,0,0,0,0|1,0,2]=4 1617 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100011217361_100000731001 [0,1,0,0,0,0|1,0,2]=4 1618 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100000757172_100012276617 [0,1,0,0,0,0|1,0,2]=4 1619 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100011217361_100000744528 [0,1,0,0,0,0|1,0,2]=4 1620 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100000053229_100012276617 [0,1,0,0,0,0|1,0,2]=4 1621 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100012276617_100000053229 [0,1,0,0,0,0|1,0,2]=4 1622 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100000744528_100012276617 [0,1,0,0,0,0|1,0,2]=4 1623 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100012276617_100000744528 [0,1,0,0,0,0|1,0,2]=4 1624 B13R0.54 C#CCCCCCNCCCC(=O)N 34a_100000739312_100012094781 [0,1,0,0,0,0|1,0,2]=4 1625 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000759063_100012094781 [0,1,0,0,0,0|1,0,2]=4 1626 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000766912_100000685027 [0,1,0,0,0,0|1,0,2]=4 1627 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000759063_100012094781 [0,1,0,0,0,0|1,0,2]=4 1628 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000766912_100011215641 [0,1,0,0,0,0|1,0,2]=4 1629 B13R0.54 C#CCCCCCOCCCC(=O)N 34a_100000766912_100102525003 [0,1,0,0,0,0|1,0,2]=4 1630 B13R0.54 C#CCCCCCOCCCC(=O)N 7a_100000766912_100102525003 [0,1,0,0,0,0|1,0,2]=4 1631 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100011215641_100012094781 [0,1,0,0,0,0|1,0,2]=4 1632 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100012094781_100011215641 [0,1,0,0,0,0|1,0,2]=4 1633 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100012094781_100102525003 [0,1,0,0,0,0|1,0,2]=4 1634 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100102525003_100012094781 [0,1,0,0,0,0|1,0,2]=4 1635 B13R0.54 C#CCCCCNCCCCC(=O)C 34a_100000706060_100009817362 [0,1,0,0,0,0|1,0,2]=4 1636 B13R0.54 C#CCCCCNCCCCC(=O)N 34a_100000696515_100010269958 [0,1,0,0,0,0|1,0,2]=4 1637 B13R0.54 C#CCCCCNCCOCC(=O)O 269956a_100000700818_100010269958 [0,1,0,0,0,0|1,0,2]=4 1638 B13R0.54 C#CCCCCOCCCCC(=O)C 34a_100000766709_100009817362 [0,1,0,0,0,0|1,0,2]=4 1639 B13R0.54 C#CCCCCOCCCCC(=O)C 7a_100000766709_100000735457 [0,1,0,0,0,0|1,0,2]=4 1640 B13R0.54 C#CCCCCOCCCCC(=O)N 34a_100012022536_100010269958 [0,1,0,0,0,0|1,0,2]=4 1641 B13R0.54 C#CCCCCOCCCCC(=O)N 7a_100012022536_100010269958 [0,1,0,0,0,0|1,0,2]=4 1642 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100000735457_100010269958 [0,1,0,0,0,0|1,0,2]=4 1643 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100010269958_100000735457 [0,1,0,0,0,0|1,0,2]=4 1644 B13R0.54 C#CCCCNCCCCCC(=O)N 34a_100000718082_100009817443 [0,1,0,0,0,0|1,0,2]=4 1645 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000123541_100000695029 [0,1,0,0,0,0|1,0,2]=4 1646 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000215630_100009817443 [0,1,0,0,0,0|1,0,2]=4 1647 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000123541_100011215417 [0,1,0,0,0,0|1,0,2]=4 1648 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000215630_100009817443 [0,1,0,0,0,0|1,0,2]=4 1649 B13R0.54 C#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215417 [0,1,0,0,0,0|0,0,3]=4 1650 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100009817443_100011215417 [0,1,0,0,0,0|1,0,2]=4 1651 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100011215417_100009817443 [0,1,0,0,0,0|1,0,2]=4 1652 B13R0.54 C/C=C/CCOCCCCCB(O)O 34a_100016278192_200009817188 [0,1,0,0,0,0|2,0,1]=4 1653 B13R0.54 C/C=C/CCOCCCCCC(=O)N 34a_100016278192_100009817443 [0,1,0,0,0,0|2,0,0]=3 1654 B13R0.54 C/C=C/CCOCCCCOC(=O)C 34a_100016278192_100000033659 [0,1,0,0,0,0|3,0,0]=4 1655 B13R0.54 C/C=C/CCOCCCCSC(=O)C 34a_100016278192_200010402107 [0,1,0,0,0,0|3,0,0]=4 1656 B13R0.54 C/C=C/CNCCCCCNC(=O)C 34a_200012022750_100102629194 [0,1,0,0,0,0|3,0,0]=4 1657 B13R0.54 C/C=C/COCCCCCCB(O)O 34a_100016270725_100009817187 [0,1,0,0,0,0|2,0,1]=4 1658 B13R0.54 C/C=C/COCCCCCOC(=O)C 34a_100016270725_100000033007 [0,1,0,0,0,0|3,0,0]=4 1659 B13R0.54 C/C=C/CSCCCCCCB(O)O 62a_100009817187_100102629194 [0,1,0,0,0,0|2,0,1]=4 1660 B13R0.54 C/C=C/CSCCCCCCB(O)O 62a_100102629194_100009817187 [0,1,0,0,0,0|2,0,1]=4 1661 B13R0.54 C/C=C/CSCCCCCOC(=O)C 62a_100000033007_100102629194 [0,1,0,0,0,0|3,0,0]=4 1662 B13R0.54 C/C=C/CSCCCCCOC(=O)C 62a_100102629194_100000033007 [0,1,0,0,0,0|3,0,0]=4 1663 B13R0.54 C=CCCC/C=C/COCCC(=O)C 7a_200016268473_100000053229 [0,1,0,0,0,0|1,0,2]=4 1664 B13R0.54 C=CCCC/C=C/COCCC(=O)N 34a_200016268473_100000731001 [0,1,0,0,0,0|1,0,2]=4 1665 B13R0.54 C=CCCC/C=C/COCCC(=O)N 7a_200016268473_100000744528 [0,1,0,0,0,0|1,0,2]=4 1666 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,1,0,0,0,0|1,0,0]=2 1667 B13R0.54 C=CCCCCCCCCCN(C)C 2230a_100102631434_100009814027 [0,1,0,0,0,0|3,0,0]=4 1668 B13R0.54 C=CCCCCCCCCCN(C)C 269982a_100102631434_100009814027 [0,1,0,0,0,0|3,0,0]=4 1669 B13R0.54 C=CCCCCCCCCNC(C)C 2230a_100138425928_100011933949 [0,1,0,0,0,0|2,0,1]=4 1670 B13R0.54 C=CCCCCCCCCNC(C)C 34a_100138425928_100011933949 [0,1,0,0,0,0|2,0,1]=4 1671 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100000212225_100011933949 [0,1,0,0,0,0|2,0,1]=4 1672 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100011215194_100000210206 [0,1,0,0,0,0|2,0,1]=4 1673 B13R0.54 C=CCCCCCCCCOC(C)C 7a_100011215194_100000210206 [0,1,0,0,0,0|2,0,1]=4 1674 B13R0.54 C=CCCCCCCCNCC(=O)N 2230a_100000711301_100012355270 [0,1,0,0,0,0|1,0,0]=2 1675 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [0,1,0,0,0,0|0,0,0]=1 1676 B13R0.54 C=CCCCCCCCNCC(C)C 2230a_100000210953_100012355270 [0,1,0,0,0,0|2,0,1]=4 1677 B13R0.54 C=CCCCCCCCNCC(C)C 34a_100000210953_100012355270 [0,1,0,0,0,0|2,0,1]=4 1678 B13R0.54 C=CCCCCCCCNCC(C)O 2230a_100000210904_100012355270 [0,1,0,0,0,0|1,0,1]=3 1679 B13R0.54 C=CCCCCCCCNCC(C)O 34a_100000210904_100012355270 [0,1,0,0,0,0|1,0,1]=3 1680 B13R0.54 C=CCCCCCCCNCC(F)F 34a_100000765723_100012355270 [0,1,0,0,0,0|2,0,1]=4 1681 B13R0.54 C=CCCCCCCCOCC(=C)C 34a_100000210245_100012355270 [0,1,0,0,0,0|2,0,0]=3 1682 B13R0.54 C=CCCCCCCCOCC(=C)C 34a_100000730831_100000748629 [0,1,0,0,0,0|2,0,0]=3 1683 B13R0.54 C=CCCCCCCCOCC(=C)C 7a_100000730831_100000748629 [0,1,0,0,0,0|2,0,0]=3 1684 B13R0.54 C=CCCCCCCCOCC(=C)F 34a_100000730831_100009893438 [0,1,0,0,0,0|2,0,0]=3 1685 B13R0.54 C=CCCCCCCCOCC(=C)F 34a_200010262243_100012355270 [0,1,0,0,0,0|2,0,0]=3 1686 B13R0.54 C=CCCCCCCCOCC(=C)F 7a_100000730831_100000042424 [0,1,0,0,0,0|2,0,0]=3 1687 B13R0.54 C=CCCCCCCCOCC(=O)C 34a_100000211253_100012355270 [0,1,0,0,0,0|1,0,0]=2 1688 B13R0.54 C=CCCCCCCCOCC(=O)N 34a_100000730831_100000187820 [0,1,0,0,0,0|1,0,0]=2 1689 B13R0.54 C=CCCCCCCCOCC(=O)N 7a_100000730831_100000187820 [0,1,0,0,0,0|1,0,0]=2 1690 B13R0.54 C=CCCCCCCCOCC(=O)[O-] 34a_100000730831_100020667443 [0,1,0,0,0,0|0,0,1]=2 1691 B13R0.54 C=CCCCCCCCOCC(C)Br 34a_100012180447_100012355270 [0,1,0,0,0,0|2,0,1]=4 1692 B13R0.54 C=CCCCCCCCOCC(C)C 34a_100000210257_100012355270 [0,1,0,0,0,0|2,0,1]=4 1693 B13R0.54 C=CCCCCCCCOCC(C)C 34a_100000730831_100000210624 [0,1,0,0,0,0|2,0,1]=4 1694 B13R0.54 C=CCCCCCCCOCC(C)C 7a_100000730831_100000210760 [0,1,0,0,0,0|2,0,1]=4 1695 B13R0.54 C=CCCCCCCCOCC(C)F 34a_100015925927_100012355270 [0,1,0,0,0,0|2,0,1]=4 1696 B13R0.54 C=CCCCCCCCOCC(C)O 34a_100000730831_100011218427 [0,1,0,0,0,0|1,0,1]=3 1697 B13R0.54 C=CCCCCCCCOCC(C)O 7a_100000730831_100011218427 [0,1,0,0,0,0|1,0,1]=3 1698 B13R0.54 C=CCCCCCCCOCC(F)F 34a_100000730831_100011934356 [0,1,0,0,0,0|2,0,1]=4 1699 B13R0.54 C=CCCCCCCCOCC(F)F 34a_100000743014_100012355270 [0,1,0,0,0,0|2,0,1]=4 1700 B13R0.54 C=CCCCCCCCOCC(F)F 7a_100000730831_100011934356 [0,1,0,0,0,0|2,0,1]=4 1701 B13R0.54 C=CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100012355270 [0,1,0,0,0,0|2,0,1]=4 1702 B13R0.54 C=CCCCCCCCOC[C@@H](C)N 34a_100000737577_100012355270 [0,1,0,0,0,0|2,0,1]=4 1703 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 34a_100000730831_100009817552 [0,1,0,0,0,0|1,0,1]=3 1704 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 7a_100000730831_100009817552 [0,1,0,0,0,0|1,0,1]=3 1705 B13R0.54 C=CCCCCCCCOC[N+](=O)[O-] 34a_100000730831_100000761209 [0,1,0,0,0,0|1,0,1]=3 1706 B13R0.54 C=CCCCCCCCSCC(=C)C 62a_100000748629_100012355270 [0,1,0,0,0,0|2,0,0]=3 1707 B13R0.54 C=CCCCCCCCSCC(=C)C 62a_100012355270_100000211660 [0,1,0,0,0,0|2,0,0]=3 1708 B13R0.54 C=CCCCCCCCSCC(=C)F 62a_100000042424_100012355270 [0,1,0,0,0,0|2,0,0]=3 1709 B13R0.54 C=CCCCCCCCSCC(=C)F 62a_100012355270_100000042424 [0,1,0,0,0,0|2,0,0]=3 1710 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100000747473_100012355270 [0,1,0,0,0,0|1,0,0]=2 1711 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100012355270_100000747473 [0,1,0,0,0,0|1,0,0]=2 1712 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100012355270_100020667443 [0,1,0,0,0,0|0,0,1]=2 1713 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100020667443_100012355270 [0,1,0,0,0,0|0,0,1]=2 1714 B13R0.54 C=CCCCCCCCSCC(C)C 62a_100000210624_100012355270 [0,1,0,0,0,0|2,0,1]=4 1715 B13R0.54 C=CCCCCCCCSCC(C)C 62a_100012355270_100000210760 [0,1,0,0,0,0|2,0,1]=4 1716 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100011218427_100012355270 [0,1,0,0,0,0|1,0,1]=3 1717 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100012355270_100011218427 [0,1,0,0,0,0|1,0,1]=3 1718 B13R0.54 C=CCCCCCCCSCC(F)F 62a_100011934356_100012355270 [0,1,0,0,0,0|2,0,1]=4 1719 B13R0.54 C=CCCCCCCCSCC(F)F 62a_100012355270_100011934356 [0,1,0,0,0,0|2,0,1]=4 1720 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100009817552_100012355270 [0,1,0,0,0,0|1,0,1]=3 1721 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100012355270_100009817552 [0,1,0,0,0,0|1,0,1]=3 1722 B13R0.54 C=CCCCCCCCSC[N+](=O)[O-] 62a_100012355270_100000761209 [0,1,0,0,0,0|1,0,1]=3 1723 B13R0.54 C=CCCCCCCNCC=C(C)C 34a_100000718196_100011215473 [0,1,0,0,0,0|2,0,1]=4 1724 B13R0.54 C=CCCCCCCNCCC(C)O 2230a_200000755665_100011215473 [0,1,0,0,0,0|1,0,1]=3 1725 B13R0.54 C=CCCCCCCNOCC(=O)O 269956a_100000106656_100011215473 [0,1,0,0,0,0|1,0,0]=2 1726 B13R0.54 C=CCCCCCCOCC=C(C)C 34a_100000753907_100011215473 [0,1,0,0,0,0|2,0,1]=4 1727 B13R0.54 C=CCCCCCCOCC=C(C)C 34a_200011216477_100000761012 [0,1,0,0,0,0|2,0,1]=4 1728 B13R0.54 C=CCCCCCCOCC=C(C)C 7a_200011216477_100000761012 [0,1,0,0,0,0|2,0,1]=4 1729 B13R0.54 C=CCCCCCCOCCC(=C)Br 34a_100009813270_100011215473 [0,1,0,0,0,0|2,0,0]=3 1730 B13R0.54 C=CCCCCCCOCCC(=C)C 34a_100000764851_100011215473 [0,1,0,0,0,0|2,0,0]=3 1731 B13R0.54 C=CCCCCCCOCCC(=C)C 34a_200011216477_100000730704 [0,1,0,0,0,0|2,0,0]=3 1732 B13R0.54 C=CCCCCCCOCCC(=C)C 7a_200011216477_100000730704 [0,1,0,0,0,0|2,0,0]=3 1733 B13R0.54 C=CCCCCCCOCCC(=O)C 34a_100000759926_100011215473 [0,1,0,0,0,0|1,0,0]=2 1734 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_100000759926_100011215473 [0,1,0,0,0,0|1,0,0]=2 1735 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_200011216477_100000053229 [0,1,0,0,0,0|1,0,0]=2 1736 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_100000757172_100011215473 [0,1,0,0,0,0|1,0,0]=2 1737 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_200011216477_100000731001 [0,1,0,0,0,0|1,0,0]=2 1738 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_100000757172_100011215473 [0,1,0,0,0,0|1,0,0]=2 1739 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_200011216477_100000744528 [0,1,0,0,0,0|1,0,0]=2 1740 B13R0.54 C=CCCCCCCOCCC(C)Br 34a_100009893172_100011215473 [0,1,0,0,0,0|2,0,1]=4 1741 B13R0.54 C=CCCCCCCOCCC(C)C 34a_100000210254_100011215473 [0,1,0,0,0,0|2,0,1]=4 1742 B13R0.54 C=CCCCCCCOCCC(C)C 34a_200011216477_100000210312 [0,1,0,0,0,0|2,0,1]=4 1743 B13R0.54 C=CCCCCCCOCCC(C)C 7a_100000210254_100011215473 [0,1,0,0,0,0|2,0,1]=4 1744 B13R0.54 C=CCCCCCCOCCC(C)C 7a_200011216477_100000210626 [0,1,0,0,0,0|2,0,1]=4 1745 B13R0.54 C=CCCCCCCOCCC(C)O 34a_200011216477_100012276601 [0,1,0,0,0,0|1,0,1]=3 1746 B13R0.54 C=CCCCCCCOCCC(C)O 7a_200011216477_100012276601 [0,1,0,0,0,0|1,0,1]=3 1747 B13R0.54 C=CCCCCCCOCCC(F)F 34a_100103093639_100011215473 [0,1,0,0,0,0|2,0,1]=4 1748 B13R0.54 C=CCCCCCCOCCN(C)C 7a_200011216477_100000755713 [0,1,0,0,0,0|3,0,0]=4 1749 B13R0.54 C=CCCCCCCOCC[C@@H](C)N 34a_100000706166_100011215473 [0,1,0,0,0,0|2,0,1]=4 1750 B13R0.54 C=CCCCCCCOCOC(=O)C 34a_200011216477_100009813279 [0,1,0,0,0,0|2,0,0]=3 1751 B13R0.54 C=CCCCCCCSCC=C(C)C 62a_100000761012_100011215473 [0,1,0,0,0,0|2,0,1]=4 1752 B13R0.54 C=CCCCCCCSCC=C(C)C 62a_100011215473_100000761012 [0,1,0,0,0,0|2,0,1]=4 1753 B13R0.54 C=CCCCCCCSCCC(=C)C 62a_100000730704_100011215473 [0,1,0,0,0,0|2,0,0]=3 1754 B13R0.54 C=CCCCCCCSCCC(=C)C 62a_100011215473_100000730704 [0,1,0,0,0,0|2,0,0]=3 1755 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100000053229_100011215473 [0,1,0,0,0,0|1,0,0]=2 1756 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100011215473_100000053229 [0,1,0,0,0,0|1,0,0]=2 1757 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100000744528_100011215473 [0,1,0,0,0,0|1,0,0]=2 1758 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100011215473_100000744528 [0,1,0,0,0,0|1,0,0]=2 1759 B13R0.54 C=CCCCCCCSCCC(C)C 62a_100000210312_100011215473 [0,1,0,0,0,0|2,0,1]=4 1760 B13R0.54 C=CCCCCCCSCCC(C)C 62a_100011215473_100000210312 [0,1,0,0,0,0|2,0,1]=4 1761 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100011215473_100012276601 [0,1,0,0,0,0|1,0,1]=3 1762 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100012276601_100011215473 [0,1,0,0,0,0|1,0,1]=3 1763 B13R0.54 C=CCCCCCCSCCN(C)C 62a_100011215473_100000755713 [0,1,0,0,0,0|3,0,0]=4 1764 B13R0.54 C=CCCCCCCSCOC(=O)C 62a_100000076356_100011215473 [0,1,0,0,0,0|2,0,0]=3 1765 B13R0.54 C=CCCCCCCSCOC(=O)C 62a_100011215473_100000076356 [0,1,0,0,0,0|2,0,0]=3 1766 B13R0.54 C=CCCCCCNCCCC(=O)N 34a_100000739312_100000700193 [0,1,0,0,0,0|1,0,0]=2 1767 B13R0.54 C=CCCCCCNCCCC(C)C 2230a_200000737386_100000700193 [0,1,0,0,0,0|2,0,1]=4 1768 B13R0.54 C=CCCCCCNCCCC(C)C 34a_200000737386_100000700193 [0,1,0,0,0,0|2,0,1]=4 1769 B13R0.54 C=CCCCCCNCCCS(=O)C 2230a_200000753449_100000700193 [0,1,0,0,0,0|2,0,0]=3 1770 B13R0.54 C=CCCCCCNCCNC(=O)C 2230a_100000209853_100000700193 [0,1,0,0,0,0|2,0,0]=3 1771 B13R0.54 C=CCCCCCNCCNC(=O)N 34a_100020590234_100000700193 [0,1,0,0,0,0|2,0,0]=3 1772 B13R0.54 C=CCCCCCOCCC=C(C)C 34a_100011216702_100011217483 [0,1,0,0,0,0|2,0,1]=4 1773 B13R0.54 C=CCCCCCOCCC=C(C)C 7a_100011216702_100011217483 [0,1,0,0,0,0|2,0,1]=4 1774 B13R0.54 C=CCCCCCOCCC=C(F)F 34a_100011216702_200009816681 [0,1,0,0,0,0|2,0,1]=4 1775 B13R0.54 C=CCCCCCOCCC=C(F)F 7a_100011216702_200009816681 [0,1,0,0,0,0|2,0,1]=4 1776 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100000759063_100000700193 [0,1,0,0,0,0|1,0,0]=2 1777 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100011216702_100000685027 [0,1,0,0,0,0|1,0,0]=2 1778 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100000759063_100000700193 [0,1,0,0,0,0|1,0,0]=2 1779 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100011216702_100011215641 [0,1,0,0,0,0|1,0,0]=2 1780 B13R0.54 C=CCCCCCOCCCC(=O)N 34a_100011216702_100102525003 [0,1,0,0,0,0|1,0,0]=2 1781 B13R0.54 C=CCCCCCOCCCC(=O)N 7a_100011216702_100102525003 [0,1,0,0,0,0|1,0,0]=2 1782 B13R0.54 C=CCCCCCOCCCC(C)C 34a_100000210774_100000700193 [0,1,0,0,0,0|2,0,1]=4 1783 B13R0.54 C=CCCCCCOCCCC(C)C 34a_100011216702_100011214892 [0,1,0,0,0,0|2,0,1]=4 1784 B13R0.54 C=CCCCCCOCCCC(C)C 7a_100000210774_100000700193 [0,1,0,0,0,0|2,0,1]=4 1785 B13R0.54 C=CCCCCCOCCCC(C)C 7a_100011216702_100011214892 [0,1,0,0,0,0|2,0,1]=4 1786 B13R0.54 C=CCCCCCOCCCC(C)O 34a_100011216702_200000718107 [0,1,0,0,0,0|1,0,1]=3 1787 B13R0.54 C=CCCCCCOCCCC(C)O 7a_100011216702_200000718107 [0,1,0,0,0,0|1,0,1]=3 1788 B13R0.54 C=CCCCCCOCCCN(C)C 7a_100011216702_100000757444 [0,1,0,0,0,0|3,0,0]=4 1789 B13R0.54 C=CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000700193 [0,1,0,0,0,0|1,0,1]=3 1790 B13R0.54 C=CCCCCCOCCNC(=O)C 34a_100000158858_100000700193 [0,1,0,0,0,0|2,0,0]=3 1791 B13R0.54 C=CCCCCCOCCNC(=O)C 7a_100011216702_100000189650 [0,1,0,0,0,0|2,0,0]=3 1792 B13R0.54 C=CCCCCCOCCNC(=O)N 34a_100000181757_100000700193 [0,1,0,0,0,0|2,0,0]=3 1793 B13R0.54 C=CCCCCCOCCNC(=O)N 7a_100011216702_200000034859 [0,1,0,0,0,0|2,0,0]=3 1794 B13R0.54 C=CCCCCCOCCOC(=O)C 34a_100011216702_100009814007 [0,1,0,0,0,0|2,0,0]=3 1795 B13R0.54 C=CCCCCCOCCOC(=O)C 7a_100011216702_100009814007 [0,1,0,0,0,0|2,0,0]=3 1796 B13R0.54 C=CCCCCCOCCOC(=O)N 34a_100011216702_200011214921 [0,1,0,0,0,0|2,0,0]=3 1797 B13R0.54 C=CCCCCCOCCOC(=O)N 7a_100000766696_100000700193 [0,1,0,0,0,0|2,0,0]=3 1798 B13R0.54 C=CCCCCCOCCOC(=O)N 7a_100011216702_200011214921 [0,1,0,0,0,0|2,0,0]=3 1799 B13R0.54 C=CCCCCCSCCC=C(C)C 62a_100000700193_100011217483 [0,1,0,0,0,0|2,0,1]=4 1800 B13R0.54 C=CCCCCCSCCC=C(C)C 62a_100011217483_100000700193 [0,1,0,0,0,0|2,0,1]=4 1801 B13R0.54 C=CCCCCCSCCC=C(F)F 62a_100000700193_200009816681 [0,1,0,0,0,0|2,0,1]=4 1802 B13R0.54 C=CCCCCCSCCC=C(F)F 62a_200009816681_100000700193 [0,1,0,0,0,0|2,0,1]=4 1803 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100000700193_100011215641 [0,1,0,0,0,0|1,0,0]=2 1804 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100011215641_100000700193 [0,1,0,0,0,0|1,0,0]=2 1805 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100000700193_100102525003 [0,1,0,0,0,0|1,0,0]=2 1806 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100102525003_100000700193 [0,1,0,0,0,0|1,0,0]=2 1807 B13R0.54 C=CCCCCCSCCCC(C)C 62a_100000700193_100011214892 [0,1,0,0,0,0|2,0,1]=4 1808 B13R0.54 C=CCCCCCSCCCC(C)C 62a_100011214892_100000700193 [0,1,0,0,0,0|2,0,1]=4 1809 B13R0.54 C=CCCCCCSCCCC(C)O 62a_100000700193_200000718107 [0,1,0,0,0,0|1,0,1]=3 1810 B13R0.54 C=CCCCCCSCCCC(C)O 62a_200000718107_100000700193 [0,1,0,0,0,0|1,0,1]=3 1811 B13R0.54 C=CCCCCCSCCCN(C)C 62a_100000700193_100000757444 [0,1,0,0,0,0|3,0,0]=4 1812 B13R0.54 C=CCCCCCSCCNC(=O)C 62a_100000189650_100000700193 [0,1,0,0,0,0|2,0,0]=3 1813 B13R0.54 C=CCCCCCSCCNC(=O)C 62a_100000700193_100000189650 [0,1,0,0,0,0|2,0,0]=3 1814 B13R0.54 C=CCCCCCSCCNC(=O)N 62a_100000700193_200000034859 [0,1,0,0,0,0|2,0,0]=3 1815 B13R0.54 C=CCCCCCSCCNC(=O)N 62a_200000034859_100000700193 [0,1,0,0,0,0|2,0,0]=3 1816 B13R0.54 C=CCCCCCSCCOC(=O)C 62a_100000700193_100009814007 [0,1,0,0,0,0|2,0,0]=3 1817 B13R0.54 C=CCCCCCSCCOC(=O)C 62a_100009814007_100000700193 [0,1,0,0,0,0|2,0,0]=3 1818 B13R0.54 C=CCCCCCSCCOC(=O)N 62a_100000700193_200011214921 [0,1,0,0,0,0|2,0,0]=3 1819 B13R0.54 C=CCCCCCSCCOC(=O)N 62a_200011214921_100000700193 [0,1,0,0,0,0|2,0,0]=3 1820 B13R0.54 C=CCCCCNCCCCB(O)O 2230a_100000703577_200009817182 [0,1,0,0,0,0|1,0,1]=3 1821 B13R0.54 C=CCCCCNCCCCB(O)O 34a_100000703577_200009817182 [0,1,0,0,0,0|1,0,1]=3 1822 B13R0.54 C=CCCCCNCCCCC(=O)C 34a_100000703577_100009817362 [0,1,0,0,0,0|1,0,0]=2 1823 B13R0.54 C=CCCCCNCCCCC(=O)N 34a_100000696515_100011215482 [0,1,0,0,0,0|1,0,0]=2 1824 B13R0.54 C=CCCCCNCCCCC(C)C 2230a_100000703577_100011216152 [0,1,0,0,0,0|2,0,1]=4 1825 B13R0.54 C=CCCCCNCCCCC(C)C 34a_100000703577_100011216152 [0,1,0,0,0,0|2,0,1]=4 1826 B13R0.54 C=CCCCCNCCCNC(=O)C 34a_100000736810_100011215482 [0,1,0,0,0,0|2,0,0]=3 1827 B13R0.54 C=CCCCCNCCCOC(=O)C 34a_100000703577_100000042594 [0,1,0,0,0,0|2,0,0]=3 1828 B13R0.54 C=CCCCCNCCCOC(=S)C 2230a_100000703577_200135323944 [0,1,0,0,0,0|2,1,0]=4 1829 B13R0.54 C=CCCCCNCCCOC(=S)C 34a_100000703577_200135323944 [0,1,0,0,0,0|2,1,0]=4 1830 B13R0.54 C=CCCCCNCCCSC(=O)C 2230a_100000703577_100000038929 [0,1,0,0,0,0|2,0,0]=3 1831 B13R0.54 C=CCCCCNCCCSC(=O)C 34a_100000703577_100000038929 [0,1,0,0,0,0|2,0,0]=3 1832 B13R0.54 C=CCCCCNCCOCC(=O)N 2230a_100000703577_100000076697 [0,1,0,0,0,0|2,0,0]=3 1833 B13R0.54 C=CCCCCNCCOCC(=O)N 34a_100000703577_100000076697 [0,1,0,0,0,0|2,0,0]=3 1834 B13R0.54 C=CCCCCNCCOCC(=O)O 269956a_100000700818_100011215482 [0,1,0,0,0,0|1,0,0]=2 1835 B13R0.54 C=CCCCCOCCCCB(O)O 34a_100000766645_200009817182 [0,1,0,0,0,0|1,0,1]=3 1836 B13R0.54 C=CCCCCOCCCCB(O)O 7a_100000766645_200009817182 [0,1,0,0,0,0|1,0,1]=3 1837 B13R0.54 C=CCCCCOCCCCC(=O)C 34a_100000766645_100009817362 [0,1,0,0,0,0|1,0,0]=2 1838 B13R0.54 C=CCCCCOCCCCC(=O)C 7a_100000766645_100000735457 [0,1,0,0,0,0|1,0,0]=2 1839 B13R0.54 C=CCCCCOCCCCC(=O)N 34a_100012022536_100011215482 [0,1,0,0,0,0|1,0,0]=2 1840 B13R0.54 C=CCCCCOCCCCC(=O)N 7a_100012022536_100011215482 [0,1,0,0,0,0|1,0,0]=2 1841 B13R0.54 C=CCCCCOCCCCC(C)C 34a_100000766645_100011216152 [0,1,0,0,0,0|2,0,1]=4 1842 B13R0.54 C=CCCCCOCCCCC(C)C 34a_100011214890_100011215482 [0,1,0,0,0,0|2,0,1]=4 1843 B13R0.54 C=CCCCCOCCCCC(C)C 7a_100000766645_100011216152 [0,1,0,0,0,0|2,0,1]=4 1844 B13R0.54 C=CCCCCOCCCCC(C)C 7a_100011214890_100011215482 [0,1,0,0,0,0|2,0,1]=4 1845 B13R0.54 C=CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011215482 [0,1,0,0,0,0|1,0,1]=3 1846 B13R0.54 C=CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215482 [0,1,0,0,0,0|1,0,1]=3 1847 B13R0.54 C=CCCCCOCCCNC(=O)C 34a_100000752032_100011215482 [0,1,0,0,0,0|2,0,0]=3 1848 B13R0.54 C=CCCCCOCCCOC(=O)C 34a_100000766645_100000042594 [0,1,0,0,0,0|2,0,0]=3 1849 B13R0.54 C=CCCCCOCCCOC(=O)C 7a_100000766645_100000042594 [0,1,0,0,0,0|2,0,0]=3 1850 B13R0.54 C=CCCCCOCCCOC(=S)C 34a_100000766645_200135323944 [0,1,0,0,0,0|2,1,0]=4 1851 B13R0.54 C=CCCCCOCCCOC(=S)C 7a_100000766645_200135323944 [0,1,0,0,0,0|2,1,0]=4 1852 B13R0.54 C=CCCCCOCCCSC(=O)C 34a_100000766645_100000038929 [0,1,0,0,0,0|2,0,0]=3 1853 B13R0.54 C=CCCCCOCCCSC(=O)C 7a_100000766645_100000038929 [0,1,0,0,0,0|2,0,0]=3 1854 B13R0.54 C=CCCCCOCCOCC(=O)N 34a_100000766645_100000076697 [0,1,0,0,0,0|2,0,0]=3 1855 B13R0.54 C=CCCCCOCCOCC(=O)N 7a_100000766645_100000076697 [0,1,0,0,0,0|2,0,0]=3 1856 B13R0.54 C=CCCCCSCCCCB(O)O 62a_100011215482_200009817182 [0,1,0,0,0,0|1,0,1]=3 1857 B13R0.54 C=CCCCCSCCCCB(O)O 62a_200009817182_100011215482 [0,1,0,0,0,0|1,0,1]=3 1858 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100000735457_100011215482 [0,1,0,0,0,0|1,0,0]=2 1859 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100011215482_100000735457 [0,1,0,0,0,0|1,0,0]=2 1860 B13R0.54 C=CCCCCSCCCCC(C)C 62a_100011215482_100011216152 [0,1,0,0,0,0|2,0,1]=4 1861 B13R0.54 C=CCCCCSCCCCC(C)C 62a_100011216152_100011215482 [0,1,0,0,0,0|2,0,1]=4 1862 B13R0.54 C=CCCCCSCCCCN(C)C 62a_100011215482_100000690147 [0,1,0,0,0,0|3,0,0]=4 1863 B13R0.54 C=CCCCCSCCCOC(=O)C 62a_100000042594_100011215482 [0,1,0,0,0,0|2,0,0]=3 1864 B13R0.54 C=CCCCCSCCCOC(=O)C 62a_100011215482_100000042594 [0,1,0,0,0,0|2,0,0]=3 1865 B13R0.54 C=CCCCCSCCCOC(=S)C 62a_100011215482_200135323944 [0,1,0,0,0,0|2,1,0]=4 1866 B13R0.54 C=CCCCCSCCCOC(=S)C 62a_200135323944_100011215482 [0,1,0,0,0,0|2,1,0]=4 1867 B13R0.54 C=CCCCCSCCCSC(=O)C 62a_100000038929_100011215482 [0,1,0,0,0,0|2,0,0]=3 1868 B13R0.54 C=CCCCCSCCCSC(=O)C 62a_100011215482_100000038929 [0,1,0,0,0,0|2,0,0]=3 1869 B13R0.54 C=CCCCCSCCOCC(=O)N 62a_100000076697_100011215482 [0,1,0,0,0,0|2,0,0]=3 1870 B13R0.54 C=CCCCCSCCOCC(=O)N 62a_100011215482_100000076697 [0,1,0,0,0,0|2,0,0]=3 1871 B13R0.54 C=CCCCNCCCCCB(O)O 2230a_100000700776_200009817188 [0,1,0,0,0,0|1,0,1]=3 1872 B13R0.54 C=CCCCNCCCCCB(O)O 34a_100000700776_200009817188 [0,1,0,0,0,0|1,0,1]=3 1873 B13R0.54 C=CCCCNCCCCCC(=O)N 2230a_100000700776_100009817443 [0,1,0,0,0,0|1,0,0]=2 1874 B13R0.54 C=CCCCNCCCCCC(=O)N 34a_100000700776_100009817443 [0,1,0,0,0,0|1,0,0]=2 1875 B13R0.54 C=CCCCNCCCCCC(C)C 2230a_100000700776_100000210682 [0,1,0,0,0,0|2,0,1]=4 1876 B13R0.54 C=CCCCNCCCCCC(C)C 2230a_100011290863_100011713584 [0,1,0,0,0,0|2,0,1]=4 1877 B13R0.54 C=CCCCNCCCCCC(C)C 34a_100000700776_100000210682 [0,1,0,0,0,0|2,0,1]=4 1878 B13R0.54 C=CCCCNCCCCCC(C)C 34a_100011290863_100000757094 [0,1,0,0,0,0|2,0,1]=4 1879 B13R0.54 C=CCCCNCCCCNC(=O)C 2230a_200011368371_100011713584 [0,1,0,0,0,0|2,0,0]=3 1880 B13R0.54 C=CCCCNCCCCNC(=O)C 34a_200011368371_100000757094 [0,1,0,0,0,0|2,0,0]=3 1881 B13R0.54 C=CCCCNCCCCOC(=O)C 34a_100000700776_100000033659 [0,1,0,0,0,0|2,0,0]=3 1882 B13R0.54 C=CCCCNCCCCO[N+](=O)[O-] 34a_100000700776_100015694321 [0,1,0,0,0,0|2,0,1]=4 1883 B13R0.54 C=CCCCNCCCCSC(=O)C 2230a_100000700776_200010402107 [0,1,0,0,0,0|2,0,0]=3 1884 B13R0.54 C=CCCCNCCCCSC(=O)C 34a_100000700776_200010402107 [0,1,0,0,0,0|2,0,0]=3 1885 B13R0.54 C=CCCCNCOCCOC(=O)C 34a_100000700776_100000076355 [0,1,0,0,0,0|3,0,0]=4 1886 B13R0.54 C=CCCCOCCCCCB(O)O 34a_100000758997_200009817188 [0,1,0,0,0,0|1,0,1]=3 1887 B13R0.54 C=CCCCOCCCCCB(O)O 7a_100000758997_200009817188 [0,1,0,0,0,0|1,0,1]=3 1888 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000123541_100000757094 [0,1,0,0,0,0|1,0,0]=2 1889 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000758997_100009817443 [0,1,0,0,0,0|1,0,0]=2 1890 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000123541_100000757094 [0,1,0,0,0,0|1,0,0]=2 1891 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000758997_100009817443 [0,1,0,0,0,0|1,0,0]=2 1892 B13R0.54 C=CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000757094 [0,1,0,0,0,0|0,0,1]=2 1893 B13R0.54 C=CCCCOCCCCCC(C)C 34a_100000758997_100000210682 [0,1,0,0,0,0|2,0,1]=4 1894 B13R0.54 C=CCCCOCCCCCC(C)C 34a_100011995859_100000757094 [0,1,0,0,0,0|2,0,1]=4 1895 B13R0.54 C=CCCCOCCCCCC(C)C 7a_100000758997_100000210682 [0,1,0,0,0,0|2,0,1]=4 1896 B13R0.54 C=CCCCOCCCCCC(C)C 7a_100011995859_100000757094 [0,1,0,0,0,0|2,0,1]=4 1897 B13R0.54 C=CCCCOCCCCOC(=O)C 34a_100000073216_100000757094 [0,1,0,0,0,0|2,0,0]=3 1898 B13R0.54 C=CCCCOCCCCOC(=O)C 34a_100000758997_100000033659 [0,1,0,0,0,0|2,0,0]=3 1899 B13R0.54 C=CCCCOCCCCOC(=O)C 7a_100000073216_100000757094 [0,1,0,0,0,0|2,0,0]=3 1900 B13R0.54 C=CCCCOCCCCOC(=O)C 7a_100000758997_100000033659 [0,1,0,0,0,0|2,0,0]=3 1901 B13R0.54 C=CCCCOCCCCO[N+](=O)[O-] 34a_100000758997_100015694321 [0,1,0,0,0,0|2,0,1]=4 1902 B13R0.54 C=CCCCOCCCCO[N+](=O)[O-] 7a_100000758997_100015694321 [0,1,0,0,0,0|2,0,1]=4 1903 B13R0.54 C=CCCCOCCCCSC(=O)C 34a_100000758997_200010402107 [0,1,0,0,0,0|2,0,0]=3 1904 B13R0.54 C=CCCCOCCCCSC(=O)C 7a_100000758997_200010402107 [0,1,0,0,0,0|2,0,0]=3 1905 B13R0.54 C=CCCCOCOCCOC(=O)C 34a_100000758997_100000076355 [0,1,0,0,0,0|3,0,0]=4 1906 B13R0.54 C=CCCCSCCCCCB(O)O 62a_100011713584_200009817188 [0,1,0,0,0,0|1,0,1]=3 1907 B13R0.54 C=CCCCSCCCCCB(O)O 62a_200009817188_100000757094 [0,1,0,0,0,0|1,0,1]=3 1908 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100009817443_100000757094 [0,1,0,0,0,0|1,0,0]=2 1909 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100011713584_100009817443 [0,1,0,0,0,0|1,0,0]=2 1910 B13R0.54 C=CCCCSCCCCCC(C)C 62a_100000210682_100000757094 [0,1,0,0,0,0|2,0,1]=4 1911 B13R0.54 C=CCCCSCCCCCC(C)C 62a_100011713584_100000210682 [0,1,0,0,0,0|2,0,1]=4 1912 B13R0.54 C=CCCCSCCCCOC(=O)C 62a_100000033659_100000757094 [0,1,0,0,0,0|2,0,0]=3 1913 B13R0.54 C=CCCCSCCCCOC(=O)C 62a_100011713584_100000033659 [0,1,0,0,0,0|2,0,0]=3 1914 B13R0.54 C=CCCCSCCCCO[N+](=O)[O-] 62a_100011713584_100015694321 [0,1,0,0,0,0|2,0,1]=4 1915 B13R0.54 C=CCCCSCCCCSC(=O)C 62a_100011713584_200010402107 [0,1,0,0,0,0|2,0,0]=3 1916 B13R0.54 C=CCCCSCCCCSC(=O)C 62a_200010402107_100000757094 [0,1,0,0,0,0|2,0,0]=3 1917 B13R0.54 C=CCCCSCOCCOC(=O)C 62a_100000076355_100000757094 [0,1,0,0,0,0|3,0,0]=4 1918 B13R0.54 C=CCCCSCOCCOC(=O)C 62a_100011713584_100000076355 [0,1,0,0,0,0|3,0,0]=4 1919 B13R0.54 C=CCCNCCCCCCB(O)O 2230a_100015191253_100009817187 [0,1,0,0,0,0|1,0,1]=3 1920 B13R0.54 C=CCCNCCCCCCC(C)C 2230a_100000211014_100000754431 [0,1,0,0,0,0|2,0,1]=4 1921 B13R0.54 C=CCCNCCCCCCC(C)C 34a_100000211014_100000754431 [0,1,0,0,0,0|2,0,1]=4 1922 B13R0.54 C=CCCNCCCCCNC(=O)C 2230a_200012022750_100000754431 [0,1,0,0,0,0|2,0,0]=3 1923 B13R0.54 C=CCCNCCCCCNC(=O)C 34a_200012022750_100000754431 [0,1,0,0,0,0|2,0,0]=3 1924 B13R0.54 C=CCCNCCCCCOC(=O)C 2230a_100015191253_100009813381 [0,1,0,0,0,0|2,0,0]=3 1925 B13R0.54 C=CCCNCCOCCOC(=O)C 2230a_100015191253_200000083610 [0,1,0,0,0,0|3,0,0]=4 1926 B13R0.54 C=CCCOCCCCCCB(O)O 34a_100011205117_100009817187 [0,1,0,0,0,0|1,0,1]=3 1927 B13R0.54 C=CCCOCCCCCOC(=O)C 34a_100011205117_100000033007 [0,1,0,0,0,0|2,0,0]=3 1928 B13R0.54 C=CCCOCCOCCOC(=O)C 34a_100011205117_200000083610 [0,1,0,0,0,0|3,0,0]=4 1929 B13R0.54 C=CCCSCCCCCCB(O)O 62a_100000754431_100009817187 [0,1,0,0,0,0|1,0,1]=3 1930 B13R0.54 C=CCCSCCCCCCB(O)O 62a_100009817187_100000754431 [0,1,0,0,0,0|1,0,1]=3 1931 B13R0.54 C=CCCSCCCCCOC(=O)C 62a_100000033007_100000754431 [0,1,0,0,0,0|2,0,0]=3 1932 B13R0.54 C=CCCSCCCCCOC(=O)C 62a_100000754431_100000033007 [0,1,0,0,0,0|2,0,0]=3 1933 B13R0.54 C=CCCSCCOCCOC(=O)C 62a_100000754431_200000083610 [0,1,0,0,0,0|3,0,0]=4 1934 B13R0.54 C=CCCSCCOCCOC(=O)C 62a_200000083610_100000754431 [0,1,0,0,0,0|3,0,0]=4 1935 B13R0.54 C=CCNCCCCCCNC(=O)C 2230a_200011996284_100000210623 [0,1,0,0,0,0|2,0,0]=3 1936 B13R0.54 C=CCNCCCCCCNC(=O)C 34a_200011996284_100015514636 [0,1,0,0,0,0|2,0,0]=3 1937 B13R0.54 C=CCNCCOCCOCC(=O)O 269956a_100009854275_100000210623 [0,1,0,0,0,0|2,0,0]=3 1938 B13R0.54 C=CCOCCCCCCCC(C)C 34a_200000210741_100015514636 [0,1,0,0,0,0|2,0,1]=4 1939 B13R0.54 C=CCOCCCCCCCC(C)C 7a_200000210741_100015514636 [0,1,0,0,0,0|2,0,1]=4 1940 B13R0.54 C=CCOCCOCCCCB(O)O 34a_100000037705_200009817182 [0,1,0,0,0,0|2,0,1]=4 1941 B13R0.54 C=CCOCCOCCCCB(O)O 7a_100000037705_200009817182 [0,1,0,0,0,0|2,0,1]=4 1942 B13R0.54 C=CCOCCOCCCCC(=O)C 34a_100000037705_100009817362 [0,1,0,0,0,0|2,0,0]=3 1943 B13R0.54 C=CCOCCOCCCCC(=O)C 7a_100000037705_100000735457 [0,1,0,0,0,0|2,0,0]=3 1944 B13R0.54 C=CCOCCOCCCOC(=O)C 34a_100000037705_100000042594 [0,1,0,0,0,0|3,0,0]=4 1945 B13R0.54 C=CCOCCOCCCOC(=O)C 7a_100000037705_100000042594 [0,1,0,0,0,0|3,0,0]=4 1946 B13R0.54 C=CCOCCOCCCSC(=O)C 34a_100000037705_100000038929 [0,1,0,0,0,0|3,0,0]=4 1947 B13R0.54 C=CCOCCOCCCSC(=O)C 7a_100000037705_100000038929 [0,1,0,0,0,0|3,0,0]=4 1948 B13R0.54 C=CCOCCOCCOCC(=O)N 34a_100000037705_100000076697 [0,1,0,0,0,0|3,0,0]=4 1949 B13R0.54 C=CCOCCOCCOCC(=O)N 34a_100000065479_100000187820 [0,1,0,0,0,0|3,0,0]=4 1950 B13R0.54 C=CCOCCOCCOCC(=O)N 7a_100000037705_100000076697 [0,1,0,0,0,0|3,0,0]=4 1951 B13R0.54 C=CCOCCOCCOCC(=O)N 7a_100000065479_100000187820 [0,1,0,0,0,0|3,0,0]=4 1952 B13R0.54 C=CCOCCOCCOCC(=O)[O-] 34a_100000065479_100020667443 [0,1,0,0,0,0|2,0,1]=4 1953 B13R0.54 C=COCCCCOCCCC(=O)C 34a_100000031558_100000685027 [0,1,0,0,0,0|2,0,0]=3 1954 B13R0.54 C=COCCCCOCCCC(=O)C 7a_100000031558_100011215641 [0,1,0,0,0,0|2,0,0]=3 1955 B13R0.54 C=COCCCCOCCCC(=O)N 34a_100000031558_100102525003 [0,1,0,0,0,0|2,0,0]=3 1956 B13R0.54 C=COCCCCOCCCC(=O)N 7a_100000031558_100102525003 [0,1,0,0,0,0|2,0,0]=3 1957 B13R0.54 C=COCCCCOCCCC(C)O 34a_100000031558_200000718107 [0,1,0,0,0,0|2,0,1]=4 1958 B13R0.54 C=COCCCCOCCCC(C)O 7a_100000031558_200000718107 [0,1,0,0,0,0|2,0,1]=4 1959 B13R0.54 C=COCCCCOCCNC(=O)C 7a_100000031558_100000189650 [0,1,0,0,0,0|3,0,0]=4 1960 B13R0.54 C=COCCCCOCCNC(=O)N 7a_100000031558_200000034859 [0,1,0,0,0,0|3,0,0]=4 1961 B13R0.54 C=COCCCCOCCOC(=O)C 34a_100000031558_100009814007 [0,1,0,0,0,0|3,0,0]=4 1962 B13R0.54 C=COCCCCOCCOC(=O)C 7a_100000031558_100009814007 [0,1,0,0,0,0|3,0,0]=4 1963 B13R0.54 C=COCCCCOCCOC(=O)N 34a_100000031558_200011214921 [0,1,0,0,0,0|3,0,0]=4 1964 B13R0.54 C=COCCCCOCCOC(=O)N 7a_100000031558_200011214921 [0,1,0,0,0,0|3,0,0]=4 1965 B13R0.54 C=COCCCNCCCCB(O)O 2230a_100000210767_200009817182 [0,1,0,0,0,0|2,0,1]=4 1966 B13R0.54 C=COCCCNCCCCB(O)O 34a_100000210767_200009817182 [0,1,0,0,0,0|2,0,1]=4 1967 B13R0.54 C=COCCCNCCCCC(=O)C 34a_100000210767_100009817362 [0,1,0,0,0,0|2,0,0]=3 1968 B13R0.54 C=COCCCNCCCOC(=O)C 34a_100000210767_100000042594 [0,1,0,0,0,0|3,0,0]=4 1969 B13R0.54 C=COCCCNCCCSC(=O)C 2230a_100000210767_100000038929 [0,1,0,0,0,0|3,0,0]=4 1970 B13R0.54 C=COCCCNCCCSC(=O)C 34a_100000210767_100000038929 [0,1,0,0,0,0|3,0,0]=4 1971 B13R0.54 C=COCCCNCCOCC(=O)N 2230a_100000210767_100000076697 [0,1,0,0,0,0|3,0,0]=4 1972 B13R0.54 C=COCCCNCCOCC(=O)N 34a_100000210767_100000076697 [0,1,0,0,0,0|3,0,0]=4 1973 B13R0.54 C=COCCNCCCCNC(=O)C 2230a_200011368371_100000039644 [0,1,0,0,0,0|3,0,0]=4 1974 B13R0.54 C=COCCNCCCCNC(=O)C 34a_200011368371_100000039644 [0,1,0,0,0,0|3,0,0]=4 1975 B13R0.54 C=COCCOCCCCCB(O)O 34a_100000033082_200009817188 [0,1,0,0,0,0|2,0,1]=4 1976 B13R0.54 C=COCCOCCCCCC(=O)N 34a_100000033082_100009817443 [0,1,0,0,0,0|2,0,0]=3 1977 B13R0.54 C=COCCOCCCCCC(=O)N 34a_100000123541_100000039644 [0,1,0,0,0,0|2,0,0]=3 1978 B13R0.54 C=COCCOCCCCCC(=O)N 7a_100000123541_100000039644 [0,1,0,0,0,0|2,0,0]=3 1979 B13R0.54 C=COCCOCCCCCC(=O)[O-] 7a_100102619762_100000039644 [0,1,0,0,0,0|1,0,1]=3 1980 B13R0.54 C=COCCOCCCCOC(=O)C 34a_100000033082_100000033659 [0,1,0,0,0,0|3,0,0]=4 1981 B13R0.54 C=COCCOCCCCOC(=O)C 34a_100000073216_100000039644 [0,1,0,0,0,0|3,0,0]=4 1982 B13R0.54 C=COCCOCCCCOC(=O)C 7a_100000073216_100000039644 [0,1,0,0,0,0|3,0,0]=4 1983 B13R0.54 C=COCCOCCCCSC(=O)C 34a_100000033082_200010402107 [0,1,0,0,0,0|3,0,0]=4 1984 B13R0.54 C=COCCOCCOCCC(=O)C 7a_100000039918_100000053229 [0,1,0,0,0,0|3,0,0]=4 1985 B13R0.54 C=COCCOCCOCCC(=O)N 34a_100000039918_100000731001 [0,1,0,0,0,0|3,0,0]=4 1986 B13R0.54 C=COCCOCCOCCC(=O)N 7a_100000039918_100000744528 [0,1,0,0,0,0|3,0,0]=4 1987 B13R0.54 C=COCCSCCCCCB(O)O 62a_100000039644_200009817188 [0,1,0,0,0,0|2,0,1]=4 1988 B13R0.54 C=COCCSCCCCCB(O)O 62a_200009817188_100000039644 [0,1,0,0,0,0|2,0,1]=4 1989 B13R0.54 C=COCCSCCCCCC(=O)N 62a_100000039644_100009817443 [0,1,0,0,0,0|2,0,0]=3 1990 B13R0.54 C=COCCSCCCCCC(=O)N 62a_100009817443_100000039644 [0,1,0,0,0,0|2,0,0]=3 1991 B13R0.54 C=COCCSCCCCOC(=O)C 62a_100000033659_100000039644 [0,1,0,0,0,0|3,0,0]=4 1992 B13R0.54 C=COCCSCCCCOC(=O)C 62a_100000039644_100000033659 [0,1,0,0,0,0|3,0,0]=4 1993 B13R0.54 C=COCCSCCCCSC(=O)C 62a_100000039644_200010402107 [0,1,0,0,0,0|3,0,0]=4 1994 B13R0.54 C=COCCSCCCCSC(=O)C 62a_200010402107_100000039644 [0,1,0,0,0,0|3,0,0]=4 1995 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,1,0,0,0,0|1,0,2]=4 1996 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [0,1,0,0,0,0|2,0,1]=4 1997 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [0,1,0,0,0,0|2,0,1]=4 1998 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [0,1,0,0,0,0|2,0,1]=4 1999 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [0,1,0,0,0,0|2,0,1]=4 2000 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [0,1,0,0,0,0|2,0,1]=4 2001 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [0,1,0,0,0,0|2,0,1]=4 2002 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [0,1,0,0,0,0|2,0,1]=4 2003 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [0,1,0,0,0,0|2,0,1]=4 2004 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100000735457_100000211819 [0,1,0,0,0,0|2,0,1]=4 2005 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100011219923_100000735457 [0,1,0,0,0,0|2,0,1]=4 2006 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000139335_100000735457 [0,1,0,0,0,0|2,0,0]=3 2007 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000735457_100000139335 [0,1,0,0,0,0|2,0,0]=3 2008 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [0,1,0,0,0,0|2,0,1]=4 2009 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [0,1,0,0,0,0|2,0,1]=4 2010 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [0,1,0,0,0,0|2,0,1]=4 2011 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [0,1,0,0,0,0|2,0,1]=4 2012 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [0,1,0,0,0,0|2,0,1]=4 2013 B13R0.54 CC(=O)CCCOCCCCCC#N 7a_100000759063_100009813376 [0,1,0,0,0,0|2,0,1]=4 2014 B13R0.54 CC(=O)CCCOCCCCCC=O 7a_100000759063_100000139337 [0,1,0,0,0,0|2,0,0]=3 2015 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [0,1,0,0,0,0|2,0,1]=4 2016 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [0,1,0,0,0,0|2,0,1]=4 2017 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [0,1,0,0,0,0|2,0,1]=4 2018 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [0,1,0,0,0,0|2,0,1]=4 2019 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [0,1,0,0,0,0|2,0,1]=4 2020 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [0,1,0,0,0,0|2,0,1]=4 2021 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [0,1,0,0,0,0|2,0,1]=4 2022 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [0,1,0,0,0,0|2,0,1]=4 2023 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [0,1,0,0,0,0|2,0,1]=4 2024 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [0,1,0,0,0,0|2,0,1]=4 2025 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [0,1,0,0,0,0|2,0,1]=4 2026 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100009813376_100011215641 [0,1,0,0,0,0|2,0,1]=4 2027 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100011215641_100009813376 [0,1,0,0,0,0|2,0,1]=4 2028 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100000139337_100011215641 [0,1,0,0,0,0|2,0,0]=3 2029 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100011215641_100000139337 [0,1,0,0,0,0|2,0,0]=3 2030 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [0,1,0,0,0,0|2,0,1]=4 2031 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [0,1,0,0,0,0|2,0,1]=4 2032 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [0,1,0,0,0,0|2,0,1]=4 2033 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [0,1,0,0,0,0|2,0,1]=4 2034 B13R0.54 CC(=O)CCOCCCCCCC#N 7a_100000759926_100009813337 [0,1,0,0,0,0|2,0,1]=4 2035 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [0,1,0,0,0,0|2,0,1]=4 2036 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [0,1,0,0,0,0|2,0,1]=4 2037 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [0,1,0,0,0,0|2,0,1]=4 2038 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100000053229_100009813337 [0,1,0,0,0,0|2,0,1]=4 2039 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100009813337_100000053229 [0,1,0,0,0,0|2,0,1]=4 2040 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [0,1,0,0,0,0|2,0,1]=4 2041 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [0,1,0,0,0,0|2,0,1]=4 2042 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,1,0,0,0,0|2,0,1]=4 2043 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,1,0,0,0,0|2,0,1]=4 2044 B13R0.54 CC(=O)NCCCCCCNCC=O 2230a_200011996284_200015260668 [0,1,0,0,0,0|3,0,0]=4 2045 B13R0.54 CC(=O)NCCCCCCNCC=O 34a_200011996284_200009817547 [0,1,0,0,0,0|3,0,0]=4 2046 B13R0.54 CC(=O)NCCCCNCCCC=O 2230a_200011368371_200011292268 [0,1,0,0,0,0|3,0,0]=4 2047 B13R0.54 CC(=O)NCCNCCCCCC=O 2230a_100000209853_100000139337 [0,1,0,0,0,0|3,0,0]=4 2048 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000139337_100000189650 [0,1,0,0,0,0|3,0,0]=4 2049 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000189650_100000139337 [0,1,0,0,0,0|3,0,0]=4 2050 B13R0.54 CC(=O)OCCCCOCCCC=O 7a_100000073216_200011292268 [0,1,0,0,0,0|3,0,0]=4 2051 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_100000033659_200011292268 [0,1,0,0,0,0|3,0,0]=4 2052 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_200011292268_100000033659 [0,1,0,0,0,0|3,0,0]=4 2053 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000042594_100000139335 [0,1,0,0,0,0|3,0,0]=4 2054 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000139335_100000042594 [0,1,0,0,0,0|3,0,0]=4 2055 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100000139337_100009814007 [0,1,0,0,0,0|3,0,0]=4 2056 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100009814007_100000139337 [0,1,0,0,0,0|3,0,0]=4 2057 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200010402107_200011292268 [0,1,0,0,0,0|3,0,0]=4 2058 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200011292268_200010402107 [0,1,0,0,0,0|3,0,0]=4 2059 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000038929_100000139335 [0,1,0,0,0,0|3,0,0]=4 2060 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000139335_100000038929 [0,1,0,0,0,0|3,0,0]=4 2061 B13R0.54 CC(O)CCCSCCCCCC=O 62a_100000139337_200000718107 [0,1,0,0,0,0|2,0,1]=4 2062 B13R0.54 CC(O)CCCSCCCCCC=O 62a_200000718107_100000139337 [0,1,0,0,0,0|2,0,1]=4 2063 B13R0.54 CC=CCCCOCCCCB(O)O 34a_100020645299_200009817182 [0,1,0,0,0,0|2,0,1]=4 2064 B13R0.54 CC=CCCCOCCCCC(=O)C 34a_100020645299_100009817362 [0,1,0,0,0,0|2,0,0]=3 2065 B13R0.54 CC=CCCCOCCCOC(=O)C 34a_100020645299_100000042594 [0,1,0,0,0,0|3,0,0]=4 2066 B13R0.54 CC=CCCCOCCCSC(=O)C 34a_100020645299_100000038929 [0,1,0,0,0,0|3,0,0]=4 2067 B13R0.54 CC=CCCCOCCOCC(=O)N 34a_100020645299_100000076697 [0,1,0,0,0,0|3,0,0]=4 2068 B13R0.54 CC=CCNCCCCCNC(=O)C 2230a_200012022750_100000070051 [0,1,0,0,0,0|3,0,0]=4 2069 B13R0.54 CC=CCNCCCCCNC(=O)C 34a_200012022750_100000070051 [0,1,0,0,0,0|3,0,0]=4 2070 B13R0.54 CC=CCSCCCCCCB(O)O 62a_100000070051_100009817187 [0,1,0,0,0,0|2,0,1]=4 2071 B13R0.54 CC=CCSCCCCCCB(O)O 62a_100009817187_100000070051 [0,1,0,0,0,0|2,0,1]=4 2072 B13R0.54 CC=CCSCCCCCOC(=O)C 62a_100000033007_100000070051 [0,1,0,0,0,0|3,0,0]=4 2073 B13R0.54 CC=CCSCCCCCOC(=O)C 62a_100000070051_100000033007 [0,1,0,0,0,0|3,0,0]=4 2074 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,1,0,0,0,0|1,0,2]=4 2075 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,1,0,0,0,0|1,0,2]=4 2076 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,1,0,0,0,0|1,0,2]=4 2077 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,1,0,0,0,0|1,0,2]=4 2078 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,1,0,0,0,0|1,0,2]=4 2079 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,1,0,0,0,0|1,0,2]=4 2080 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,1,0,0,0,0|1,0,2]=4 2081 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,1,0,0,0,0|1,0,2]=4 2082 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,1,0,0,0,0|1,0,2]=4 2083 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,1,0,0,0,0|1,0,2]=4 2084 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,1,0,0,0,0|0,0,2]=3 2085 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,1,0,0,0,0|0,0,3]=4 2086 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,1,0,0,0,0|1,0,2]=4 2087 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,1,0,0,0,0|1,0,2]=4 2088 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,1,0,0,0,0|1,0,2]=4 2089 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,1,0,0,0,0|0,0,3]=4 2090 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,1,0,0,0,0|1,0,2]=4 2091 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,1,0,0,0,0|0,0,3]=4 2092 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,1,0,0,0,0|1,0,2]=4 2093 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,1,0,0,0,0|1,0,2]=4 2094 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,1,0,0,0,0|1,0,2]=4 2095 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,1,0,0,0,0|1,0,2]=4 2096 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,1,0,0,0,0|1,0,2]=4 2097 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,1,0,0,0,0|1,0,2]=4 2098 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,1,0,0,0,0|1,0,2]=4 2099 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,1,0,0,0,0|1,0,2]=4 2100 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,1,0,0,0,0|1,0,2]=4 2101 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,1,0,0,0,0|1,0,2]=4 2102 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,1,0,0,0,0|1,0,2]=4 2103 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,1,0,0,0,0|1,0,2]=4 2104 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,1,0,0,0,0|1,0,2]=4 2105 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,1,0,0,0,0|1,0,2]=4 2106 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,1,0,0,0,0|1,0,2]=4 2107 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,1,0,0,0,0|1,0,2]=4 2108 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,1,0,0,0,0|1,0,2]=4 2109 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,1,0,0,0,0|1,0,2]=4 2110 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,1,0,0,0,0|1,0,2]=4 2111 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,1,0,0,0,0|1,0,2]=4 2112 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,1,0,0,0,0|1,0,2]=4 2113 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,1,0,0,0,0|1,0,2]=4 2114 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,1,0,0,0,0|1,0,2]=4 2115 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,1,0,0,0,0|1,0,2]=4 2116 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,1,0,0,0,0|1,0,2]=4 2117 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,1,0,0,0,0|1,0,2]=4 2118 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,1,0,0,0,0|1,0,2]=4 2119 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,1,0,0,0,0|1,0,2]=4 2120 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,1,0,0,0,0|1,0,2]=4 2121 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,1,0,0,0,0|1,0,2]=4 2122 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,1,0,0,0,0|1,0,2]=4 2123 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,1,0,0,0,0|1,0,2]=4 2124 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,1,0,0,0,0|1,0,2]=4 2125 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,1,0,0,0,0|1,0,2]=4 2126 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,1,0,0,0,0|1,0,2]=4 2127 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,1,0,0,0,0|1,0,2]=4 2128 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,1,0,0,0,0|1,0,2]=4 2129 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,1,0,0,0,0|1,0,2]=4 2130 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,1,0,0,0,0|0,0,3]=4 2131 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,1,0,0,0,0|1,0,2]=4 2132 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,1,0,0,0,0|1,0,2]=4 2133 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [0,1,0,0,0,0|2,0,1]=4 2134 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [0,1,0,0,0,0|2,0,1]=4 2135 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [0,1,0,0,0,0|2,0,1]=4 2136 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [0,1,0,0,0,0|2,0,1]=4 2137 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,1,0,0,0,0|2,0,1]=4 2138 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,1,0,0,0,0|2,0,1]=4 2139 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,1,0,0,0,0|2,0,1]=4 2140 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [0,1,0,0,0,0|2,0,1]=4 2141 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [0,1,0,0,0,0|2,0,1]=4 2142 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [0,1,0,0,0,0|2,0,1]=4 2143 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [0,1,0,0,0,0|2,0,1]=4 2144 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [0,1,0,0,0,0|2,0,1]=4 2145 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [0,1,0,0,0,0|2,0,1]=4 2146 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [0,1,0,0,0,0|2,0,1]=4 2147 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [0,1,0,0,0,0|2,0,1]=4 2148 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [0,1,0,0,0,0|2,0,1]=4 2149 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [0,1,0,0,0,0|2,0,1]=4 2150 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [0,1,0,0,0,0|2,0,1]=4 2151 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [0,1,0,0,0,0|2,0,1]=4 2152 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [0,1,0,0,0,0|2,0,1]=4 2153 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [0,1,0,0,0,0|2,0,1]=4 2154 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [0,1,0,0,0,0|2,0,1]=4 2155 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [0,1,0,0,0,0|2,0,1]=4 2156 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [0,1,0,0,0,0|2,0,1]=4 2157 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [0,1,0,0,0,0|2,0,1]=4 2158 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [0,1,0,0,0,0|2,0,1]=4 2159 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [0,1,0,0,0,0|2,0,1]=4 2160 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [0,1,0,0,0,0|2,0,1]=4 2161 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [0,1,0,0,0,0|1,0,2]=4 2162 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [0,1,0,0,0,0|2,0,1]=4 2163 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [0,1,0,0,0,0|2,0,1]=4 2164 B13R0.54 CS(=O)CCCNCCCCCC=O 2230a_200000753449_100000139337 [0,1,0,0,0,0|3,0,0]=4 2165 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [0,1,0,0,0,0|2,0,1]=4 2166 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [0,1,0,0,0,0|2,0,1]=4 2167 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [0,1,0,0,0,0|2,0,1]=4 2168 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [0,1,0,0,0,0|2,0,1]=4 2169 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [0,1,0,0,0,0|2,0,1]=4 2170 B13R0.54 N#CCCCCCCNOCC(=O)O 269956a_100000106656_100009813337 [0,1,0,0,0,0|2,0,1]=4 2171 B13R0.54 N#CCCCCCCOCCC(=O)N 7a_100000757172_100009813337 [0,1,0,0,0,0|2,0,1]=4 2172 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100000744528_100009813337 [0,1,0,0,0,0|2,0,1]=4 2173 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100009813337_100000744528 [0,1,0,0,0,0|2,0,1]=4 2174 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100009813376_100102525003 [0,1,0,0,0,0|2,0,1]=4 2175 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100102525003_100009813376 [0,1,0,0,0,0|2,0,1]=4 2176 B13R0.54 N#CCCCCNCCOCC(=O)O 269956a_100000700818_100011219923 [0,1,0,0,0,0|2,0,1]=4 2177 B13R0.54 N#CCCCCOCCCCC(=O)N 7a_100012022536_100000211819 [0,1,0,0,0,0|2,0,1]=4 2178 B13R0.54 N#CCCCOCCCCCC(=O)N 7a_100000123541_100000687738 [0,1,0,0,0,0|2,0,1]=4 2179 B13R0.54 N#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000687738 [0,1,0,0,0,0|1,0,2]=4 2180 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100000687738_100009817443 [0,1,0,0,0,0|2,0,1]=4 2181 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100009817443_100000687738 [0,1,0,0,0,0|2,0,1]=4 2182 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [0,1,0,0,0,0|2,0,1]=4 2183 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [0,1,0,0,0,0|2,0,1]=4 2184 B13R0.54 NC(=O)CCCCCOCCCC=O 7a_100000123541_200011292268 [0,1,0,0,0,0|2,0,0]=3 2185 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [0,1,0,0,0,0|2,0,1]=4 2186 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [0,1,0,0,0,0|2,0,1]=4 2187 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [0,1,0,0,0,0|2,0,1]=4 2188 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [0,1,0,0,0,0|2,0,1]=4 2189 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [0,1,0,0,0,0|2,0,1]=4 2190 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [0,1,0,0,0,0|2,0,1]=4 2191 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [0,1,0,0,0,0|2,0,1]=4 2192 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [0,1,0,0,0,0|2,0,1]=4 2193 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [0,1,0,0,0,0|2,0,1]=4 2194 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [0,1,0,0,0,0|2,0,1]=4 2195 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_100009817443_200011292268 [0,1,0,0,0,0|2,0,0]=3 2196 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_200011292268_100009817443 [0,1,0,0,0,0|2,0,0]=3 2197 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [0,1,0,0,0,0|2,0,1]=4 2198 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [0,1,0,0,0,0|2,0,1]=4 2199 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [0,1,0,0,0,0|2,0,1]=4 2200 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [0,1,0,0,0,0|2,0,1]=4 2201 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [0,1,0,0,0,0|2,0,1]=4 2202 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [0,1,0,0,0,0|2,0,1]=4 2203 B13R0.54 NC(=O)CCCCOCCCCC=O 7a_100012022536_100000139335 [0,1,0,0,0,0|2,0,0]=3 2204 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [0,1,0,0,0,0|2,0,1]=4 2205 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [0,1,0,0,0,0|2,0,1]=4 2206 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [0,1,0,0,0,0|2,0,1]=4 2207 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [0,1,0,0,0,0|2,0,1]=4 2208 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [0,1,0,0,0,0|2,0,1]=4 2209 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [0,1,0,0,0,0|2,0,1]=4 2210 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [0,1,0,0,0,0|2,0,1]=4 2211 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [0,1,0,0,0,0|2,0,1]=4 2212 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [0,1,0,0,0,0|2,0,1]=4 2213 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [0,1,0,0,0,0|2,0,1]=4 2214 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [0,1,0,0,0,0|2,0,1]=4 2215 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [0,1,0,0,0,0|2,0,1]=4 2216 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [0,1,0,0,0,0|2,0,1]=4 2217 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100000139337_100102525003 [0,1,0,0,0,0|2,0,0]=3 2218 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100102525003_100000139337 [0,1,0,0,0,0|2,0,0]=3 2219 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [0,1,0,0,0,0|2,0,1]=4 2220 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [0,1,0,0,0,0|2,0,1]=4 2221 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [0,1,0,0,0,0|2,0,1]=4 2222 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [0,1,0,0,0,0|2,0,1]=4 2223 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [0,1,0,0,0,0|2,0,1]=4 2224 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [0,1,0,0,0,0|2,0,1]=4 2225 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [0,1,0,0,0,0|2,0,1]=4 2226 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [0,1,0,0,0,0|2,0,1]=4 2227 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [0,1,0,0,0,0|2,0,1]=4 2228 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [0,1,0,0,0,0|2,0,1]=4 2229 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [0,1,0,0,0,0|2,0,1]=4 2230 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [0,1,0,0,0,0|2,0,1]=4 2231 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,1,0,0,0,0|2,0,1]=4 2232 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,1,0,0,0,0|2,0,1]=4 2233 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,1,0,0,0,0|2,0,1]=4 2234 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [0,1,0,0,0,0|2,0,1]=4 2235 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [0,1,0,0,0,0|2,0,1]=4 2236 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [0,1,0,0,0,0|2,0,1]=4 2237 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [0,1,0,0,0,0|2,0,1]=4 2238 B13R0.54 NC(=O)COCCSCCCCC=O 62a_100000076697_100000139335 [0,1,0,0,0,0|3,0,0]=4 2239 B13R0.54 NC(=O)COCCSCCCCC=O 62a_100000139335_100000076697 [0,1,0,0,0,0|3,0,0]=4 2240 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,1,0,0,0,0|2,0,1]=4 2241 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,1,0,0,0,0|2,0,1]=4 2242 B13R0.54 NC(=O)NCCSCCCCCC=O 62a_100000139337_200000034859 [0,1,0,0,0,0|3,0,0]=4 2243 B13R0.54 NC(=O)NCCSCCCCCC=O 62a_200000034859_100000139337 [0,1,0,0,0,0|3,0,0]=4 2244 B13R0.54 NC(=O)OCCOCCCCCC=O 7a_100000766696_100000139337 [0,1,0,0,0,0|3,0,0]=4 2245 B13R0.54 NC(=O)OCCSCCCCCC=O 62a_100000139337_200011214921 [0,1,0,0,0,0|3,0,0]=4 2246 B13R0.54 NC(=O)OCCSCCCCCC=O 62a_200011214921_100000139337 [0,1,0,0,0,0|3,0,0]=4 2247 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [0,1,0,0,0,0|2,0,1]=4 2248 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [0,1,0,0,0,0|1,0,2]=4 2249 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [0,1,0,0,0,0|2,0,1]=4 2250 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [0,1,0,0,0,0|2,0,1]=4 2251 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [0,1,0,0,0,0|2,0,1]=4 2252 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,1,0,0,0,0|1,0,1]=3 2253 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [0,1,0,0,0,0|2,0,1]=4 2254 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [0,1,0,0,0,0|2,0,1]=4 2255 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [0,1,0,0,0,0|2,0,1]=4 2256 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [0,1,0,0,0,0|1,0,2]=4 2257 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [0,1,0,0,0,0|1,0,2]=4 2258 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,1,0,0,0,0|1,0,2]=4 2259 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [0,1,0,0,0,0|1,0,2]=4 2260 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [0,1,0,0,0,0|1,0,2]=4 2261 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,1,0,0,0,0|1,0,2]=4 2262 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,1,0,0,0,0|1,0,2]=4 2263 B13R0.54 O=CCCCCNCCOCC(=O)O 269956a_100000700818_100000139335 [0,1,0,0,0,0|2,0,0]=3 2264 B13R0.54 O=CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000139335 [0,1,0,0,0,0|2,0,1]=4 2265 B13R0.54 O=CCCCCSCCCCB(O)O 62a_100000139335_200009817182 [0,1,0,0,0,0|2,0,1]=4 2266 B13R0.54 O=CCCCCSCCCCB(O)O 62a_200009817182_100000139335 [0,1,0,0,0,0|2,0,1]=4 2267 B13R0.54 O=CCCCOCCCCCC(=O)[O-] 7a_100102619762_200011292268 [0,1,0,0,0,0|1,0,1]=3 2268 B13R0.54 O=CCCCSCCCCCB(O)O 62a_200009817188_200011292268 [0,1,0,0,0,0|2,0,1]=4 2269 B13R0.54 O=CCCCSCCCCCB(O)O 62a_200011292268_200009817188 [0,1,0,0,0,0|2,0,1]=4 2270 B13R0.54 O=CCNCCOCCOCC(=O)O 269956a_100009854275_200015260668 [0,1,0,0,0,0|3,0,0]=4 2271 B13R0.88 C=CCC(=O)CCCCCCB(O)O 1458a_100000210193_100009817187 [0,1,0,0,0,0|1,0,2]=4 2272 B13R0.88 C=CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210623 [0,1,0,0,0,0|2,0,1]=4 2273 B13R0.88 C=CCC(=O)CCCCCOC(=O)C 1458a_100000210193_100000033007 [0,1,0,0,0,0|2,0,1]=4 2274 B13R0.88 C=CCC(C)COCCCCB(O)O 34a_100009832082_200009817182 [0,1,0,0,0,0|2,0,1]=4 2275 B13R0.88 C=CCC(C)COCCCCB(O)O 7a_100009832082_200009817182 [0,1,0,0,0,0|2,0,1]=4 2276 B13R0.88 C=CCC(C)COCCCCC(=O)C 34a_100009832082_100009817362 [0,1,0,0,0,0|2,0,0]=3 2277 B13R0.88 C=CCC(C)COCCCCC(=O)C 7a_100009832082_100000735457 [0,1,0,0,0,0|2,0,0]=3 2278 B13R0.88 C=CCC(C)COCCCOC(=O)C 34a_100009832082_100000042594 [0,1,0,0,0,0|3,0,0]=4 2279 B13R0.88 C=CCC(C)COCCCOC(=O)C 7a_100009832082_100000042594 [0,1,0,0,0,0|3,0,0]=4 2280 B13R0.88 C=CCC(C)COCCCSC(=O)C 34a_100009832082_100000038929 [0,1,0,0,0,0|3,0,0]=4 2281 B13R0.88 C=CCC(C)COCCCSC(=O)C 7a_100009832082_100000038929 [0,1,0,0,0,0|3,0,0]=4 2282 B13R0.88 C=CCC(C)COCCOCC(=O)N 34a_100009832082_100000076697 [0,1,0,0,0,0|3,0,0]=4 2283 B13R0.88 C=CCC(C)COCCOCC(=O)N 7a_100009832082_100000076697 [0,1,0,0,0,0|3,0,0]=4 2284 B13R0.88 C=CCN(C)CCCCCCB(O)O 2230a_100000225617_100009817187 [0,1,0,0,0,0|2,0,1]=4 2285 B13R0.88 C=CCN(C)CCCCCCB(O)O 269982a_100000225617_100009817187 [0,1,0,0,0,0|2,0,1]=4 2286 B13R0.88 C=CCN(C)CCCCCOC(=O)C 2230a_100000225617_100009813381 [0,1,0,0,0,0|3,0,0]=4 2287 B13R0.88 C=CCN(C)CCCCCOC(=O)C 269982a_100000225617_100000033007 [0,1,0,0,0,0|3,0,0]=4 2288 B13R0.88 C=CC[C@@H](C)OCCCCCB(O)O 34a_100000731007_200009817188 [0,1,0,0,0,0|2,0,1]=4 2289 B13R0.88 C=CC[C@@H](C)OCCCCCB(O)O 7a_100000731007_200009817188 [0,1,0,0,0,0|2,0,1]=4 2290 B13R0.88 C=CC[C@@H](C)OCCCCCC(=O)N 34a_100000731007_100009817443 [0,1,0,0,0,0|2,0,0]=3 2291 B13R0.88 C=CC[C@@H](C)OCCCCCC(=O)N 7a_100000731007_100009817443 [0,1,0,0,0,0|2,0,0]=3 2292 B13R0.88 C=CC[C@@H](C)OCCCCOC(=O)C 34a_100000731007_100000033659 [0,1,0,0,0,0|3,0,0]=4 2293 B13R0.88 C=CC[C@@H](C)OCCCCOC(=O)C 7a_100000731007_100000033659 [0,1,0,0,0,0|3,0,0]=4 2294 B13R0.88 C=CC[C@@H](C)OCCCCSC(=O)C 34a_100000731007_200010402107 [0,1,0,0,0,0|3,0,0]=4 2295 B13R0.88 C=CC[C@@H](C)OCCCCSC(=O)C 7a_100000731007_200010402107 [0,1,0,0,0,0|3,0,0]=4 2296 B13R0.88 C=CC[C@@H](N)COCCCCB(O)O 34a_100020615467_200009817182 [0,1,0,0,0,0|2,0,1]=4 2297 B13R0.88 C=CC[C@@H](N)COCCCCC(=O)C 34a_100020615467_100009817362 [0,1,0,0,0,0|2,0,0]=3 2298 B13R0.88 C=CC[C@@H](N)COCCCOC(=O)C 34a_100020615467_100000042594 [0,1,0,0,0,0|3,0,0]=4 2299 B13R0.88 C=CC[C@@H](N)COCCCSC(=O)C 34a_100020615467_100000038929 [0,1,0,0,0,0|3,0,0]=4 2300 B13R0.88 C=CC[C@@H](N)COCCOCC(=O)N 34a_100020615467_100000076697 [0,1,0,0,0,0|3,0,0]=4 2301 B13R0.119 C=CCCC(=O)CCCCCB(O)O 1458a_100000749702_200009817188 [0,1,0,0,0,0|1,0,2]=4 2302 B13R0.119 C=CCCC(=O)CCCCCC(=O)N 1458a_100000749702_100009817443 [0,1,0,0,0,0|1,0,1]=3 2303 B13R0.119 C=CCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000754431 [0,1,0,0,0,0|1,0,2]=4 2304 B13R0.119 C=CCCC(=O)CCCCOC(=O)C 1458a_100000749702_100000033659 [0,1,0,0,0,0|2,0,1]=4 2305 B13R0.119 C=CCCC(=O)CCCCSC(=O)C 1458a_100000749702_200010402107 [0,1,0,0,0,0|2,0,1]=4 2306 B13R0.119 C=CCCC(=O)NCCCCC(=O)N 11a_100000696515_100000749702 [0,1,0,0,0,0|2,0,1]=4 2307 B13R0.119 C=CCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000749702 [0,1,0,0,0,0|2,0,1]=4 2308 B13R0.119 C=CCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000749702 [0,1,0,0,0,0|2,0,1]=4 2309 B13R0.119 C=CCCC(=O)NCCCCC(=O)N 527a_100000696515_100000749702 [0,1,0,0,0,0|2,0,1]=4 2310 B13R0.119 C=CCCC(C)NCCCCC(=O)N 270004a_100000696515_100000762624 [0,1,0,0,0,0|2,0,0]=3 2311 B13R0.119 C=CCCC(C)NCCCNC(=O)C 270004a_100000736810_100000762624 [0,1,0,0,0,0|3,0,0]=4 2312 B13R0.119 C=CCCC(C)OCCCCB(O)O 34a_100000765329_200009817182 [0,1,0,0,0,0|2,0,1]=4 2313 B13R0.119 C=CCCC(C)OCCCCB(O)O 7a_100000765329_200009817182 [0,1,0,0,0,0|2,0,1]=4 2314 B13R0.119 C=CCCC(C)OCCCCC(=O)C 34a_100000765329_100009817362 [0,1,0,0,0,0|2,0,0]=3 2315 B13R0.119 C=CCCC(C)OCCCCC(=O)C 7a_100000765329_100000735457 [0,1,0,0,0,0|2,0,0]=3 2316 B13R0.119 C=CCCC(C)OCCCOC(=O)C 34a_100000765329_100000042594 [0,1,0,0,0,0|3,0,0]=4 2317 B13R0.119 C=CCCC(C)OCCCOC(=O)C 7a_100000765329_100000042594 [0,1,0,0,0,0|3,0,0]=4 2318 B13R0.119 C=CCCC(C)OCCCSC(=O)C 34a_100000765329_100000038929 [0,1,0,0,0,0|3,0,0]=4 2319 B13R0.119 C=CCCC(C)OCCCSC(=O)C 7a_100000765329_100000038929 [0,1,0,0,0,0|3,0,0]=4 2320 B13R0.119 C=CCCC(C)OCCOCC(=O)N 34a_100000765329_100000076697 [0,1,0,0,0,0|3,0,0]=4 2321 B13R0.119 C=CCCC(C)OCCOCC(=O)N 7a_100000765329_100000076697 [0,1,0,0,0,0|3,0,0]=4 2322 B13R0.119 C=CCCN(C)CCCCCB(O)O 2230a_100020639649_200009817188 [0,1,0,0,0,0|2,0,1]=4 2323 B13R0.119 C=CCCN(C)CCCCCB(O)O 269982a_100020639649_200009817188 [0,1,0,0,0,0|2,0,1]=4 2324 B13R0.119 C=CCCN(C)CCCCCC(=O)N 2230a_100020639649_100009817443 [0,1,0,0,0,0|2,0,0]=3 2325 B13R0.119 C=CCCN(C)CCCCCC(=O)N 269982a_100020639649_100009817443 [0,1,0,0,0,0|2,0,0]=3 2326 B13R0.119 C=CCCN(C)CCCCOC(=O)C 269982a_100020639649_100000033659 [0,1,0,0,0,0|3,0,0]=4 2327 B13R0.119 C=CCCN(C)CCCCSC(=O)C 2230a_100020639649_200010402107 [0,1,0,0,0,0|3,0,0]=4 2328 B13R0.119 C=CCCN(C)CCCCSC(=O)C 269982a_100020639649_200010402107 [0,1,0,0,0,0|3,0,0]=4 2329 B13R0.147 C#CC(=O)CCCCCCCCC=C 1458a_100000211873_100011933949 [0,1,0,0,0,0|1,0,0]=2 2330 B13R0.147 C#CC(=O)CCCCCCCCCC 1458a_100000211873_100000210319 [0,1,0,0,0,0|1,0,2]=4 2331 B13R0.147 C#CC(=O)CCCCCCCCCO 1458a_100000211873_100009813782 [0,1,0,0,0,0|2,0,1]=4 2332 B13R0.147 C#CC(O)CCCCCNCCC=C 2230a_100015191253_200010408556 [0,1,0,0,0,0|2,0,1]=4 2333 B13R0.147 C#CC(O)CCCCCOCCC=C 34a_100011205117_200010408556 [0,1,0,0,0,0|2,0,1]=4 2334 B13R0.147 C#CC(O)CCCCCSCCC=C 62a_100000754431_200010408556 [0,1,0,0,0,0|2,0,1]=4 2335 B13R0.147 C#CC(O)CCCCCSCCC=C 62a_200010408556_100000754431 [0,1,0,0,0,0|2,0,1]=4 2336 B13R0.147 C#CCCCCCCCCC(=O)CC 1458a_100000029693_100000210202 [0,1,0,0,0,0|1,0,2]=4 2337 B13R0.147 C#CCCCCCCCCC(=O)CF 1458a_100000029693_100015361967 [0,1,0,0,0,0|1,0,2]=4 2338 B13R0.147 C#CCCCCCCCCC(=O)NC 11a_106832991635_100000029693 [0,1,0,0,0,0|1,0,2]=4 2339 B13R0.147 C#CCCCCCCCCC(=O)NC 1626a_100102657272_100000029693 [0,1,0,0,0,0|1,0,2]=4 2340 B13R0.147 C#CCCCCCCCCC(=O)NC 240690a_100102657272_100000029693 [0,1,0,0,0,0|1,0,2]=4 2341 B13R0.147 C#CCCCCCCCCC(=O)NC 527a_100102657272_100000029693 [0,1,0,0,0,0|1,0,2]=4 2342 B13R0.147 C#CCCCCCCOCC(=O)OC 34a_100011217361_100000747449 [0,1,0,0,0,0|1,0,2]=4 2343 B13R0.147 C#CCCCCCCOCC(=O)OC 7a_100011217361_100000747449 [0,1,0,0,0,0|1,0,2]=4 2344 B13R0.147 C#CCCCCCCSCC(=O)OC 62a_100000747449_100012276617 [0,1,0,0,0,0|1,0,2]=4 2345 B13R0.147 C#CCCCCCCSCC(=O)OC 62a_100012276617_100000747449 [0,1,0,0,0,0|1,0,2]=4 2346 B13R0.147 C#CCCCCCOCCC(=O)OC 34a_100000766912_100000742370 [0,1,0,0,0,0|1,0,2]=4 2347 B13R0.147 C#CCCCCCOCCC(=O)OC 7a_100000766912_100000204255 [0,1,0,0,0,0|1,0,2]=4 2348 B13R0.147 C#CCCCCCSCCC(=O)OC 62a_100000204255_100012094781 [0,1,0,0,0,0|1,0,2]=4 2349 B13R0.147 C#CCCCCCSCCC(=O)OC 62a_100012094781_100000204255 [0,1,0,0,0,0|1,0,2]=4 2350 B13R0.147 C#CCCCCNCCCC(=O)OC 2230a_100000706060_100011218270 [0,1,0,0,0,0|1,0,2]=4 2351 B13R0.147 C#CCCCCNCCCC(=O)OC 34a_100000706060_100000742333 [0,1,0,0,0,0|1,0,2]=4 2352 B13R0.147 C#CCCCCOCCCC(=O)OC 34a_100000766709_100000742333 [0,1,0,0,0,0|1,0,2]=4 2353 B13R0.147 C#CCCCCOCCCC(=O)OC 7a_100000766709_100011218270 [0,1,0,0,0,0|1,0,2]=4 2354 B13R0.147 C#CCCCCSCCCC(=O)OC 62a_100010269958_100011218270 [0,1,0,0,0,0|1,0,2]=4 2355 B13R0.147 C#CCCCCSCCCC(=O)OC 62a_100011218270_100010269958 [0,1,0,0,0,0|1,0,2]=4 2356 B13R0.147 C#CCCCNCCCCC(=O)OC 34a_100000718082_100000204269 [0,1,0,0,0,0|1,0,2]=4 2357 B13R0.147 C#CCCCOCCCCC(=O)OC 34a_100000059025_100000695029 [0,1,0,0,0,0|1,0,2]=4 2358 B13R0.147 C#CCCCOCCCCC(=O)OC 34a_100000215630_100000204269 [0,1,0,0,0,0|1,0,2]=4 2359 B13R0.147 C#CCCCOCCCCC(=O)OC 7a_100000059025_100011215417 [0,1,0,0,0,0|1,0,2]=4 2360 B13R0.147 C#CCCCOCCCCC(=O)OC 7a_100000215630_100000204269 [0,1,0,0,0,0|1,0,2]=4 2361 B13R0.147 C#CCCCSCCCCC(=O)OC 62a_100000204269_100011215417 [0,1,0,0,0,0|1,0,2]=4 2362 B13R0.147 C#CCCCSCCCCC(=O)OC 62a_100011215417_100000204269 [0,1,0,0,0,0|1,0,2]=4 2363 B13R0.147 C#CCCNCCCCCC(=O)OC 34a_100000755551_100009816466 [0,1,0,0,0,0|1,0,2]=4 2364 B13R0.147 C#CCCOCCCCCC(=O)OC 34a_100000074720_100000688953 [0,1,0,0,0,0|1,0,2]=4 2365 B13R0.147 C#CCCOCCCCCC(=O)OC 34a_100011215631_100009816466 [0,1,0,0,0,0|1,0,2]=4 2366 B13R0.147 C#CCCOCCCCCC(=O)OC 7a_100000074720_100000688953 [0,1,0,0,0,0|1,0,2]=4 2367 B13R0.147 C#CCCSCCCCCC(=O)OC 62a_100000688953_100009816466 [0,1,0,0,0,0|1,0,2]=4 2368 B13R0.147 C#CCCSCCCCCC(=O)OC 62a_100009816466_100000688953 [0,1,0,0,0,0|1,0,2]=4 2369 B13R0.147 C#CCNCCCCCCC(=O)OC 34a_100000212058_100009815986 [0,1,0,0,0,0|1,0,2]=4 2370 B13R0.147 C#CCOCCCCCCC(=O)OC 34a_100000210247_100009815986 [0,1,0,0,0,0|1,0,2]=4 2371 B13R0.147 C#CCOCCCCCCC(=O)OC 34a_100009863599_100000184674 [0,1,0,0,0,0|1,0,2]=4 2372 B13R0.147 C#CCOCCCCCCC(=O)OC 7a_100009863599_100000038162 [0,1,0,0,0,0|1,0,2]=4 2373 B13R0.147 C#CCSCCCCCCC(=O)OC 62a_100000038162_100009815986 [0,1,0,0,0,0|1,0,2]=4 2374 B13R0.147 C/C=C/CCOCCCCC(=O)OC 34a_100016278192_100000204269 [0,1,0,0,0,0|1,0,2]=4 2375 B13R0.147 C/C=C/COCCCCCC(=O)OC 34a_100000074720_100102629194 [0,1,0,0,0,0|1,0,2]=4 2376 B13R0.147 C/C=C/COCCCCCC(=O)OC 34a_100016270725_100009816466 [0,1,0,0,0,0|1,0,2]=4 2377 B13R0.147 C/C=C/COCCCCCC(=O)OC 7a_100000074720_100102629194 [0,1,0,0,0,0|1,0,2]=4 2378 B13R0.147 C/C=C/CSCCCCCC(=O)OC 62a_100009816466_100102629194 [0,1,0,0,0,0|1,0,2]=4 2379 B13R0.147 C/C=C/CSCCCCCC(=O)OC 62a_100102629194_100009816466 [0,1,0,0,0,0|1,0,2]=4 2380 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [0,1,0,0,0,0|1,0,2]=4 2381 B13R0.147 C=CC(=O)CCCCCCCCCO 1458a_100000185746_100009813782 [0,1,0,0,0,0|2,0,1]=4 2382 B13R0.147 C=CCCC/C=C/COCC(=O)OC 34a_200016268473_100000747449 [0,1,0,0,0,0|1,0,2]=4 2383 B13R0.147 C=CCCC/C=C/COCC(=O)OC 7a_200016268473_100000747449 [0,1,0,0,0,0|1,0,2]=4 2384 B13R0.147 C=CCCCCCCCCC(=O)C=C 1458a_100000185746_100011933949 [0,1,0,0,0,0|1,0,0]=2 2385 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [0,1,0,0,0,0|1,0,0]=2 2386 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [0,1,0,0,0,0|1,0,0]=2 2387 B13R0.147 C=CCCCCCCCCC(=O)CF 1458a_100000211349_100015361967 [0,1,0,0,0,0|1,0,0]=2 2388 B13R0.147 C=CCCCCCCCCC(=O)CO 1458a_100000210174_100011933949 [0,1,0,0,0,0|0,0,0]=1 2389 B13R0.147 C=CCCCCCCCCC(=O)NC 11a_106832991635_100000211349 [0,1,0,0,0,0|1,0,0]=2 2390 B13R0.147 C=CCCCCCCCCC(=O)NC 1626a_100102657272_100000211349 [0,1,0,0,0,0|1,0,0]=2 2391 B13R0.147 C=CCCCCCCCCC(=O)NC 240690a_100102657272_100000211349 [0,1,0,0,0,0|1,0,0]=2 2392 B13R0.147 C=CCCCCCCCCC(=O)NC 527a_100102657272_100000211349 [0,1,0,0,0,0|1,0,0]=2 2393 B13R0.147 C=CCCCCCCCCN(C)CC 2230a_100000225621_100011933949 [0,1,0,0,0,0|3,0,0]=4 2394 B13R0.147 C=CCCCCCCCCN(C)CC 269982a_100000225621_100011933949 [0,1,0,0,0,0|3,0,0]=4 2395 B13R0.147 C=CCCCCCCCN[C@H](C)CO 2230a_100000737577_100012355270 [0,1,0,0,0,0|2,0,1]=4 2396 B13R0.147 C=CCCCCCCCOC(C)CO 34a_100000730831_100012180447 [0,1,0,0,0,0|2,0,1]=4 2397 B13R0.147 C=CCCCCCCCOC(C)CO 7a_100000730831_100012180447 [0,1,0,0,0,0|2,0,1]=4 2398 B13R0.147 C=CCCCCCCCSC(C)CO 62a_100012180447_100012355270 [0,1,0,0,0,0|2,0,1]=4 2399 B13R0.147 C=CCCCCCCCSC(C)OC 62a_100009879195_100012355270 [0,1,0,0,0,0|2,0,1]=4 2400 B13R0.147 C=CCCCCCCCSC(C)OC 62a_100012355270_100009879195 [0,1,0,0,0,0|2,0,1]=4 2401 B13R0.147 C=CCCCCCCCS[C@H](C)CO 62a_100012355270_100016084084 [0,1,0,0,0,0|2,0,1]=4 2402 B13R0.147 C=CCCCCCCCS[C@H](C)CO 62a_100016084084_100012355270 [0,1,0,0,0,0|2,0,1]=4 2403 B13R0.147 C=CCCCCCCNCC(=O)NC 2230a_100000693194_100011215473 [0,1,0,0,0,0|2,0,0]=3 2404 B13R0.147 C=CCCCCCCNCC(C)CO 34a_100000744482_100011215473 [0,1,0,0,0,0|2,0,1]=4 2405 B13R0.147 C=CCCCCCCNCC(O)CC 2230a_100011218483_100011215473 [0,1,0,0,0,0|2,0,1]=4 2406 B13R0.147 C=CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011215473 [0,1,0,0,0,0|2,0,1]=4 2407 B13R0.147 C=CCCCCCCNC[C@@H](F)CO 34a_100015665980_100011215473 [0,1,0,0,0,0|2,0,1]=4 2408 B13R0.147 C=CCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215473 [0,1,0,0,0,0|1,0,2]=4 2409 B13R0.147 C=CCCCCCCOCC(=C)C#N 34a_200011216477_100000694840 [0,1,0,0,0,0|3,0,0]=4 2410 B13R0.147 C=CCCCCCCOCC(=O)CC 34a_100000725409_100011215473 [0,1,0,0,0,0|2,0,0]=3 2411 B13R0.147 C=CCCCCCCOCC(=O)CC 7a_200011216477_100000747405 [0,1,0,0,0,0|2,0,0]=3 2412 B13R0.147 C=CCCCCCCOCC(=O)NC 34a_100000750040_100011215473 [0,1,0,0,0,0|2,0,0]=3 2413 B13R0.147 C=CCCCCCCOCC(=O)NC 34a_200011216477_100000183359 [0,1,0,0,0,0|2,0,0]=3 2414 B13R0.147 C=CCCCCCCOCC(=O)NC 7a_200011216477_100000183359 [0,1,0,0,0,0|2,0,0]=3 2415 B13R0.147 C=CCCCCCCOCC(=O)OC 34a_200011216477_100000747449 [0,1,0,0,0,0|1,0,0]=2 2416 B13R0.147 C=CCCCCCCOCC(=O)OC 7a_200011216477_100000747449 [0,1,0,0,0,0|1,0,0]=2 2417 B13R0.147 C=CCCCCCCOCC(C)OC 34a_100000690652_100011215473 [0,1,0,0,0,0|2,0,1]=4 2418 B13R0.147 C=CCCCCCCOCC(O)C=C 34a_200011216477_100000730141 [0,1,0,0,0,0|2,0,1]=4 2419 B13R0.147 C=CCCCCCCOCC(O)C=C 7a_200011216477_100000730141 [0,1,0,0,0,0|2,0,1]=4 2420 B13R0.147 C=CCCCCCCOCC(O)CC 34a_200011216477_100011218378 [0,1,0,0,0,0|2,0,1]=4 2421 B13R0.147 C=CCCCCCCOCC(O)CC 7a_200011216477_100011218378 [0,1,0,0,0,0|2,0,1]=4 2422 B13R0.147 C=CCCCCCCOCC(O)CO 34a_200011216477_100011219619 [0,1,0,0,0,0|1,0,2]=4 2423 B13R0.147 C=CCCCCCCOCC(O)CO 7a_200011216477_100011219619 [0,1,0,0,0,0|1,0,2]=4 2424 B13R0.147 C=CCCCCCCOC[C@@H](C)CO 34a_200011216477_100000059175 [0,1,0,0,0,0|2,0,1]=4 2425 B13R0.147 C=CCCCCCCOC[C@@H](C)CO 7a_200011216477_100000059175 [0,1,0,0,0,0|2,0,1]=4 2426 B13R0.147 C=CCCCCCCOC[C@@H](O)CF 34a_200011216477_100015614560 [0,1,0,0,0,0|2,0,1]=4 2427 B13R0.147 C=CCCCCCCOC[C@@H](O)CF 7a_200011216477_100015614560 [0,1,0,0,0,0|2,0,1]=4 2428 B13R0.147 C=CCCCCCCOC[C@@H](O)CO 34a_200011216477_100009815848 [0,1,0,0,0,0|1,0,2]=4 2429 B13R0.147 C=CCCCCCCOC[C@@H](O)CO 7a_200011216477_100009815848 [0,1,0,0,0,0|1,0,2]=4 2430 B13R0.147 C=CCCCCCCSCC(=C)C#N 62a_100011215473_100000694840 [0,1,0,0,0,0|3,0,0]=4 2431 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100000747405_100011215473 [0,1,0,0,0,0|2,0,0]=3 2432 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100011215473_100000747405 [0,1,0,0,0,0|2,0,0]=3 2433 B13R0.147 C=CCCCCCCSCC(=O)NC 62a_100000183359_100011215473 [0,1,0,0,0,0|2,0,0]=3 2434 B13R0.147 C=CCCCCCCSCC(=O)NC 62a_100011215473_100000183359 [0,1,0,0,0,0|2,0,0]=3 2435 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100000747449_100011215473 [0,1,0,0,0,0|1,0,0]=2 2436 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100011215473_100000747449 [0,1,0,0,0,0|1,0,0]=2 2437 B13R0.147 C=CCCCCCCSCC(O)C=C 62a_100000730141_100011215473 [0,1,0,0,0,0|2,0,1]=4 2438 B13R0.147 C=CCCCCCCSCC(O)C=C 62a_100011215473_100000730141 [0,1,0,0,0,0|2,0,1]=4 2439 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011215473_100011218378 [0,1,0,0,0,0|2,0,1]=4 2440 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011218378_100011215473 [0,1,0,0,0,0|2,0,1]=4 2441 B13R0.147 C=CCCCCCCSCC(O)CO 62a_100011215473_100011219619 [0,1,0,0,0,0|1,0,2]=4 2442 B13R0.147 C=CCCCCCCSCC(O)CO 62a_100011219619_100011215473 [0,1,0,0,0,0|1,0,2]=4 2443 B13R0.147 C=CCCCCCCSC[C@@H](C)CO 62a_100000059175_100011215473 [0,1,0,0,0,0|2,0,1]=4 2444 B13R0.147 C=CCCCCCCSC[C@@H](C)CO 62a_100011215473_100000059175 [0,1,0,0,0,0|2,0,1]=4 2445 B13R0.147 C=CCCCCCCSC[C@@H](O)CF 62a_100011215473_100015614560 [0,1,0,0,0,0|2,0,1]=4 2446 B13R0.147 C=CCCCCCCSC[C@@H](O)CF 62a_100015614560_100011215473 [0,1,0,0,0,0|2,0,1]=4 2447 B13R0.147 C=CCCCCCCSC[C@@H](O)CO 62a_100009815848_100011215473 [0,1,0,0,0,0|1,0,2]=4 2448 B13R0.147 C=CCCCCCCSC[C@@H](O)CO 62a_100011215473_100009815848 [0,1,0,0,0,0|1,0,2]=4 2449 B13R0.147 C=CCCCCCNCCC(=O)NC 2230a_100000738227_100000700193 [0,1,0,0,0,0|2,0,0]=3 2450 B13R0.147 C=CCCCCCNCCC(=O)NC 34a_100000738227_100000700193 [0,1,0,0,0,0|2,0,0]=3 2451 B13R0.147 C=CCCCCCNCCC(C)CO 2230a_106354213184_100000700193 [0,1,0,0,0,0|2,0,1]=4 2452 B13R0.147 C=CCCCCCNCCC(C)CO 34a_106354213184_100000700193 [0,1,0,0,0,0|2,0,1]=4 2453 B13R0.147 C=CCCCCCOCCC(=NO)N 34a_100000749954_100000700193 [0,1,0,0,0,0|2,0,0]=3 2454 B13R0.147 C=CCCCCCOCCC(=O)NC 34a_100000754576_100000700193 [0,1,0,0,0,0|2,0,0]=3 2455 B13R0.147 C=CCCCCCOCCC(=O)NC 34a_100011216702_100012179268 [0,1,0,0,0,0|2,0,0]=3 2456 B13R0.147 C=CCCCCCOCCC(=O)NC 7a_100011216702_100000737683 [0,1,0,0,0,0|2,0,0]=3 2457 B13R0.147 C=CCCCCCOCCC(=O)OC 34a_100011216702_100000742370 [0,1,0,0,0,0|1,0,0]=2 2458 B13R0.147 C=CCCCCCOCCC(=O)OC 7a_100011216702_100000204255 [0,1,0,0,0,0|1,0,0]=2 2459 B13R0.147 C=CCCCCCOCCC(C)OC 7a_100000764861_100000700193 [0,1,0,0,0,0|2,0,1]=4 2460 B13R0.147 C=CCCCCCSCCC(=O)NC 62a_100000700193_100000737683 [0,1,0,0,0,0|2,0,0]=3 2461 B13R0.147 C=CCCCCCSCCC(=O)NC 62a_100000737683_100000700193 [0,1,0,0,0,0|2,0,0]=3 2462 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000204255_100000700193 [0,1,0,0,0,0|1,0,0]=2 2463 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000700193_100000204255 [0,1,0,0,0,0|1,0,0]=2 2464 B13R0.147 C=CCCCCCSCOC(=O)OC 62a_100000700193_100000139417 [0,1,0,0,0,0|2,0,0]=3 2465 B13R0.147 C=CCCCCNC/C=C/C(=O)OC 2230a_100000703577_100000742655 [0,1,0,0,0,0|1,0,2]=4 2466 B13R0.147 C=CCCCCNC/C=C/C(=O)OC 34a_100000703577_100000742655 [0,1,0,0,0,0|1,0,2]=4 2467 B13R0.147 C=CCCCCNCCCC(=O)NC 2230a_100000703577_100000741757 [0,1,0,0,0,0|2,0,0]=3 2468 B13R0.147 C=CCCCCNCCCC(=O)NC 2230a_100000740002_100011215482 [0,1,0,0,0,0|2,0,0]=3 2469 B13R0.147 C=CCCCCNCCCC(=O)NC 34a_100000703577_100000741757 [0,1,0,0,0,0|2,0,0]=3 2470 B13R0.147 C=CCCCCNCCCC(=O)NC 34a_100000740002_100011215482 [0,1,0,0,0,0|2,0,0]=3 2471 B13R0.147 C=CCCCCNCCCC(=O)OC 2230a_100000703577_100011218270 [0,1,0,0,0,0|1,0,0]=2 2472 B13R0.147 C=CCCCCNCCCC(=O)OC 34a_100000703577_100000742333 [0,1,0,0,0,0|1,0,0]=2 2473 B13R0.147 C=CCCCCNCCNC(=O)C=C 2230a_114873766552_100011215482 [0,1,0,0,0,0|3,0,0]=4 2474 B13R0.147 C=CCCCCNCCNC(=O)CC 34a_100132302217_100011215482 [0,1,0,0,0,0|3,0,0]=4 2475 B13R0.147 C=CCCCCNCCNC(=O)NC 34a_100015205895_100011215482 [0,1,0,0,0,0|3,0,0]=4 2476 B13R0.147 C=CCCCCNCCOC(=O)C=C 2230a_100000703577_100009813456 [0,1,0,0,0,0|3,0,0]=4 2477 B13R0.147 C=CCCCCNCCOC(=O)C=C 34a_100000703577_100009813456 [0,1,0,0,0,0|3,0,0]=4 2478 B13R0.147 C=CCCCCNCCOC(=O)NC 34a_100000703577_200011997002 [0,1,0,0,0,0|3,0,0]=4 2479 B13R0.147 C=CCCCCOC/C=C/C(=O)OC 34a_100000766645_100000742655 [0,1,0,0,0,0|1,0,2]=4 2480 B13R0.147 C=CCCCCOC/C=C/C(=O)OC 7a_100000766645_100000742655 [0,1,0,0,0,0|1,0,2]=4 2481 B13R0.147 C=CCCCCOCCCC(=O)NC 34a_100000766645_100000741757 [0,1,0,0,0,0|2,0,0]=3 2482 B13R0.147 C=CCCCCOCCCC(=O)NC 7a_100000766645_100000741757 [0,1,0,0,0,0|2,0,0]=3 2483 B13R0.147 C=CCCCCOCCCC(=O)NN 34a_100000211488_100011215482 [0,1,0,0,0,0|2,0,0]=3 2484 B13R0.147 C=CCCCCOCCCC(=O)OC 34a_100000766645_100000742333 [0,1,0,0,0,0|1,0,0]=2 2485 B13R0.147 C=CCCCCOCCCC(=O)OC 7a_100000766645_100011218270 [0,1,0,0,0,0|1,0,0]=2 2486 B13R0.147 C=CCCCCOCCNC(=O)C=C 34a_100011304386_100011215482 [0,1,0,0,0,0|3,0,0]=4 2487 B13R0.147 C=CCCCCOCCNC(=O)CC 34a_200000158885_100011215482 [0,1,0,0,0,0|3,0,0]=4 2488 B13R0.147 C=CCCCCOCCNC(=O)CC 7a_200000158885_100011215482 [0,1,0,0,0,0|3,0,0]=4 2489 B13R0.147 C=CCCCCOCCNC(=O)OC 34a_100000757965_100011215482 [0,1,0,0,0,0|2,0,0]=3 2490 B13R0.147 C=CCCCCOCCOC(=O)C=C 34a_100000766645_100009813456 [0,1,0,0,0,0|3,0,0]=4 2491 B13R0.147 C=CCCCCOCCOC(=O)C=C 7a_100000766645_100009813456 [0,1,0,0,0,0|3,0,0]=4 2492 B13R0.147 C=CCCCCOCCOC(=O)CC 7a_200000031056_100011215482 [0,1,0,0,0,0|3,0,0]=4 2493 B13R0.147 C=CCCCCOCCOC(=O)NC 34a_100000766645_200011997002 [0,1,0,0,0,0|3,0,0]=4 2494 B13R0.147 C=CCCCCOCCOC(=O)NC 7a_100000766645_200011997002 [0,1,0,0,0,0|3,0,0]=4 2495 B13R0.147 C=CCCCCOCCOC(=O)OC 34a_100010262106_100011215482 [0,1,0,0,0,0|2,0,0]=3 2496 B13R0.147 C=CCCCCSC/C=C/C(=O)OC 62a_100000742655_100011215482 [0,1,0,0,0,0|1,0,2]=4 2497 B13R0.147 C=CCCCCSC/C=C/C(=O)OC 62a_100011215482_100000742655 [0,1,0,0,0,0|1,0,2]=4 2498 B13R0.147 C=CCCCCSCCCC(=O)NC 62a_100000741757_100011215482 [0,1,0,0,0,0|2,0,0]=3 2499 B13R0.147 C=CCCCCSCCCC(=O)NC 62a_100011215482_100000741757 [0,1,0,0,0,0|2,0,0]=3 2500 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011215482_100011218270 [0,1,0,0,0,0|1,0,0]=2 2501 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011218270_100011215482 [0,1,0,0,0,0|1,0,0]=2 2502 B13R0.147 C=CCCCCSCCOC(=O)C=C 62a_100009813456_100011215482 [0,1,0,0,0,0|3,0,0]=4 2503 B13R0.147 C=CCCCCSCCOC(=O)C=C 62a_100011215482_100009813456 [0,1,0,0,0,0|3,0,0]=4 2504 B13R0.147 C=CCCCCSCCOC(=O)NC 62a_100011215482_200011997002 [0,1,0,0,0,0|3,0,0]=4 2505 B13R0.147 C=CCCCCSCCOC(=O)NC 62a_200011997002_100011215482 [0,1,0,0,0,0|3,0,0]=4 2506 B13R0.147 C=CCCCNCCCCC(=O)OC 2230a_100000700776_100000204269 [0,1,0,0,0,0|1,0,0]=2 2507 B13R0.147 C=CCCCNCCCCC(=O)OC 34a_100000700776_100000204269 [0,1,0,0,0,0|1,0,0]=2 2508 B13R0.147 C=CCCCNCCOCC(=O)OC 2230a_100000700776_100000090808 [0,1,0,0,0,0|2,0,0]=3 2509 B13R0.147 C=CCCCNCCOCC(=O)OC 34a_100000700776_100000090808 [0,1,0,0,0,0|2,0,0]=3 2510 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000059025_100000757094 [0,1,0,0,0,0|1,0,0]=2 2511 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000758997_100000204269 [0,1,0,0,0,0|1,0,0]=2 2512 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000059025_100000757094 [0,1,0,0,0,0|1,0,0]=2 2513 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000758997_100000204269 [0,1,0,0,0,0|1,0,0]=2 2514 B13R0.147 C=CCCCOCCOCC(=O)OC 34a_100000758997_100000090808 [0,1,0,0,0,0|2,0,0]=3 2515 B13R0.147 C=CCCCOCCOCC(=O)OC 7a_100000758997_100000090808 [0,1,0,0,0,0|2,0,0]=3 2516 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100000204269_100000757094 [0,1,0,0,0,0|1,0,0]=2 2517 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100011713584_100000204269 [0,1,0,0,0,0|1,0,0]=2 2518 B13R0.147 C=CCCCSCCOCC(=O)OC 62a_100000090808_100000757094 [0,1,0,0,0,0|2,0,0]=3 2519 B13R0.147 C=CCCCSCCOCC(=O)OC 62a_100011713584_100000090808 [0,1,0,0,0,0|2,0,0]=3 2520 B13R0.147 C=CCCNCCCCCC(=O)OC 2230a_100015191253_100009816466 [0,1,0,0,0,0|1,0,0]=2 2521 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100000074720_100000754431 [0,1,0,0,0,0|1,0,0]=2 2522 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100011205117_100009816466 [0,1,0,0,0,0|1,0,0]=2 2523 B13R0.147 C=CCCOCCCCCC(=O)OC 7a_100000074720_100000754431 [0,1,0,0,0,0|1,0,0]=2 2524 B13R0.147 C=CCCOCCCCNC(=O)C=C 34a_100014118770_100000754431 [0,1,0,0,0,0|3,0,0]=4 2525 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100000754431_100009816466 [0,1,0,0,0,0|1,0,0]=2 2526 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100009816466_100000754431 [0,1,0,0,0,0|1,0,0]=2 2527 B13R0.147 C=CCNCCCCCCC(=O)OC 2230a_100020586998_100009815986 [0,1,0,0,0,0|1,0,0]=2 2528 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_100009863599_100015514636 [0,1,0,0,0,0|1,0,0]=2 2529 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_200000210373_100009815986 [0,1,0,0,0,0|1,0,0]=2 2530 B13R0.147 C=CCOCCCCCCC(=O)OC 7a_100009863599_100015514636 [0,1,0,0,0,0|1,0,0]=2 2531 B13R0.147 C=CCOCCCCCOC(=O)C=C 7a_200011023508_100015514636 [0,1,0,0,0,0|3,0,0]=4 2532 B13R0.147 C=CCOCCOCCCC(=O)NC 34a_100000037705_100000741757 [0,1,0,0,0,0|3,0,0]=4 2533 B13R0.147 C=CCOCCOCCCC(=O)NC 7a_100000037705_100000741757 [0,1,0,0,0,0|3,0,0]=4 2534 B13R0.147 C=CCOCCOCCCC(=O)OC 34a_100000037705_100000742333 [0,1,0,0,0,0|2,0,0]=3 2535 B13R0.147 C=CCOCCOCCCC(=O)OC 7a_100000037705_100011218270 [0,1,0,0,0,0|2,0,0]=3 2536 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100000210623_100009815986 [0,1,0,0,0,0|1,0,0]=2 2537 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100009815986_100000210623 [0,1,0,0,0,0|1,0,0]=2 2538 B13R0.147 C=COCCCCOCCC(=O)NC 34a_100000031558_100012179268 [0,1,0,0,0,0|3,0,0]=4 2539 B13R0.147 C=COCCCCOCCC(=O)NC 7a_100000031558_100000737683 [0,1,0,0,0,0|3,0,0]=4 2540 B13R0.147 C=COCCCCOCCC(=O)OC 34a_100000031558_100000742370 [0,1,0,0,0,0|2,0,0]=3 2541 B13R0.147 C=COCCCCOCCC(=O)OC 7a_100000031558_100000204255 [0,1,0,0,0,0|2,0,0]=3 2542 B13R0.147 C=COCCCNCCCC(=O)NC 2230a_100000210767_100000741757 [0,1,0,0,0,0|3,0,0]=4 2543 B13R0.147 C=COCCCNCCCC(=O)NC 34a_100000210767_100000741757 [0,1,0,0,0,0|3,0,0]=4 2544 B13R0.147 C=COCCCNCCCC(=O)OC 2230a_100000210767_100011218270 [0,1,0,0,0,0|2,0,0]=3 2545 B13R0.147 C=COCCCNCCCC(=O)OC 34a_100000210767_100000742333 [0,1,0,0,0,0|2,0,0]=3 2546 B13R0.147 C=COCCOCCCCC(=O)OC 34a_100000033082_100000204269 [0,1,0,0,0,0|2,0,0]=3 2547 B13R0.147 C=COCCOCCCCC(=O)OC 34a_100000059025_100000039644 [0,1,0,0,0,0|2,0,0]=3 2548 B13R0.147 C=COCCOCCCCC(=O)OC 7a_100000059025_100000039644 [0,1,0,0,0,0|2,0,0]=3 2549 B13R0.147 C=COCCOCCOCC(=O)OC 34a_100000033082_100000090808 [0,1,0,0,0,0|3,0,0]=4 2550 B13R0.147 C=COCCOCCOCC(=O)OC 34a_100000039918_100000747449 [0,1,0,0,0,0|3,0,0]=4 2551 B13R0.147 C=COCCOCCOCC(=O)OC 7a_100000039918_100000747449 [0,1,0,0,0,0|3,0,0]=4 2552 B13R0.147 C=COCCSCCCCC(=O)OC 62a_100000039644_100000204269 [0,1,0,0,0,0|2,0,0]=3 2553 B13R0.147 C=COCCSCCCCC(=O)OC 62a_100000204269_100000039644 [0,1,0,0,0,0|2,0,0]=3 2554 B13R0.147 C=COCCSCCOCC(=O)OC 62a_100000039644_100000090808 [0,1,0,0,0,0|3,0,0]=4 2555 B13R0.147 C=COCCSCCOCC(=O)OC 62a_100000090808_100000039644 [0,1,0,0,0,0|3,0,0]=4 2556 B13R0.147 CC=CCCCOCCCC(=O)OC 34a_100020645299_100000742333 [0,1,0,0,0,0|1,0,2]=4 2557 B13R0.147 CC=CCOCCCCCC(=O)OC 34a_100000074720_100000070051 [0,1,0,0,0,0|1,0,2]=4 2558 B13R0.147 CC=CCOCCCCCC(=O)OC 7a_100000074720_100000070051 [0,1,0,0,0,0|1,0,2]=4 2559 B13R0.147 CC=CCSCCCCCC(=O)OC 62a_100000070051_100009816466 [0,1,0,0,0,0|1,0,2]=4 2560 B13R0.147 CC=CCSCCCCCC(=O)OC 62a_100009816466_100000070051 [0,1,0,0,0,0|1,0,2]=4 2561 B13R0.147 CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210202 [0,1,0,0,0,0|2,0,1]=4 2562 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [0,1,0,0,0,0|2,0,1]=4 2563 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [0,1,0,0,0,0|1,0,2]=4 2564 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [0,1,0,0,0,0|1,0,2]=4 2565 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [0,1,0,0,0,0|1,0,2]=4 2566 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,1,0,0,0,0|0,0,2]=3 2567 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [0,1,0,0,0,0|1,0,2]=4 2568 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [0,1,0,0,0,0|1,0,2]=4 2569 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [0,1,0,0,0,0|1,0,2]=4 2570 B13R0.147 CCCCCCCCCNC(=O)CO 240690a_100000212291_100000210174 [0,1,0,0,0,0|1,0,2]=4 2571 B13R0.147 CCCCCCCCCNC(=O)CO 527a_100000212291_100000210174 [0,1,0,0,0,0|1,0,2]=4 2572 B13R0.147 CCCCCCCCNCC(=O)OC 2230a_100000229939_100000747449 [0,1,0,0,0,0|1,0,2]=4 2573 B13R0.147 CCCCCCCCNCC(=O)OC 34a_100000229939_100000747449 [0,1,0,0,0,0|1,0,2]=4 2574 B13R0.147 CCCCCCCCOCC(=O)OC 34a_100000210232_100000747449 [0,1,0,0,0,0|1,0,2]=4 2575 B13R0.147 CCCCCCCCOCC(=O)OC 7a_100000210232_100000747449 [0,1,0,0,0,0|1,0,2]=4 2576 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000210759_100000747449 [0,1,0,0,0,0|1,0,2]=4 2577 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000747449_100000210317 [0,1,0,0,0,0|1,0,2]=4 2578 B13R0.147 CCCCCCCNCCC(=O)OC 2230a_100000229938_100000204255 [0,1,0,0,0,0|1,0,2]=4 2579 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [0,1,0,0,0,0|1,0,2]=4 2580 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [0,1,0,0,0,0|1,0,2]=4 2581 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000204255_100000210316 [0,1,0,0,0,0|1,0,2]=4 2582 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000210614_100000204255 [0,1,0,0,0,0|1,0,2]=4 2583 B13R0.147 CCCCCCNCCCC(=O)OC 2230a_100000210581_100011218270 [0,1,0,0,0,0|1,0,2]=4 2584 B13R0.147 CCCCCCOCCCC(=O)OC 34a_100000210259_100000742333 [0,1,0,0,0,0|1,0,2]=4 2585 B13R0.147 CCCCCCOCCCC(=O)OC 7a_100000210259_100011218270 [0,1,0,0,0,0|1,0,2]=4 2586 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100000210314_100011218270 [0,1,0,0,0,0|1,0,2]=4 2587 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100011218270_100000210757 [0,1,0,0,0,0|1,0,2]=4 2588 B13R0.147 CCCCCNCCCCC(=O)OC 2230a_100000209983_100000204269 [0,1,0,0,0,0|1,0,2]=4 2589 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000059025_100000718602 [0,1,0,0,0,0|1,0,2]=4 2590 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000210253_100000204269 [0,1,0,0,0,0|1,0,2]=4 2591 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000059025_100000210326 [0,1,0,0,0,0|1,0,2]=4 2592 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000210253_100000204269 [0,1,0,0,0,0|1,0,2]=4 2593 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000204269_100000210326 [0,1,0,0,0,0|1,0,2]=4 2594 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000210326_100000204269 [0,1,0,0,0,0|1,0,2]=4 2595 B13R0.147 CCCCNCCCCCC(=O)OC 2230a_100000102301_100009816466 [0,1,0,0,0,0|1,0,2]=4 2596 B13R0.147 CCCCNCCCCCC(=O)OC 7a_106832991798_100009816466 [0,1,0,0,0,0|1,0,2]=4 2597 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [0,1,0,0,0,0|1,0,2]=4 2598 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [0,1,0,0,0,0|1,0,2]=4 2599 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [0,1,0,0,0,0|1,0,2]=4 2600 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [0,1,0,0,0,0|1,0,2]=4 2601 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100000210211_100009816466 [0,1,0,0,0,0|1,0,2]=4 2602 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100009816466_100000210210 [0,1,0,0,0,0|1,0,2]=4 2603 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100000210258_100009815986 [0,1,0,0,0,0|1,0,2]=4 2604 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100009863599_100000210303 [0,1,0,0,0,0|1,0,2]=4 2605 B13R0.147 CCCOCCCCCCC(=O)OC 7a_100009863599_100000210303 [0,1,0,0,0,0|1,0,2]=4 2606 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100000210303_100009815986 [0,1,0,0,0,0|1,0,2]=4 2607 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100009815986_100000210303 [0,1,0,0,0,0|1,0,2]=4 2608 B13R0.147 CCNCCCCCCCC(=O)OC 2230a_100015525214_100010004213 [0,1,0,0,0,0|1,0,2]=4 2609 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100011022521_100000210202 [0,1,0,0,0,0|1,0,2]=4 2610 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100121572206_100010004213 [0,1,0,0,0,0|1,0,2]=4 2611 B13R0.147 CCOCCCCCCCC(=O)OC 7a_100011022521_100000210202 [0,1,0,0,0,0|1,0,2]=4 2612 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100000210202_100010004213 [0,1,0,0,0,0|1,0,2]=4 2613 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100010004213_100000210202 [0,1,0,0,0,0|1,0,2]=4 2614 B13R0.147 CNC(=O)CCCCCCCCCF 11a_106832991635_200009909015 [0,1,0,0,0,0|2,0,1]=4 2615 B13R0.147 CNC(=O)CCCCCCCCCF 240690a_100102657272_200009909015 [0,1,0,0,0,0|2,0,1]=4 2616 B13R0.147 CNC(=O)CCCCCCCCCF 527a_100102657272_200009909015 [0,1,0,0,0,0|2,0,1]=4 2617 B13R0.147 CNC(=O)CCCCCCCCCO 240690a_100102657272_100000032657 [0,1,0,0,0,0|2,0,1]=4 2618 B13R0.147 CNC(=O)CCCNCCCCC=O 2230a_100000740002_100000139335 [0,1,0,0,0,0|3,0,0]=4 2619 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000139335_100000741757 [0,1,0,0,0,0|3,0,0]=4 2620 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000741757_100000139335 [0,1,0,0,0,0|3,0,0]=4 2621 B13R0.147 CNC(=O)CCNCCCCCC=O 2230a_100000738227_100000139337 [0,1,0,0,0,0|3,0,0]=4 2622 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000139337_100000737683 [0,1,0,0,0,0|3,0,0]=4 2623 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000737683_100000139337 [0,1,0,0,0,0|3,0,0]=4 2624 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [0,1,0,0,0,0|1,0,1]=3 2625 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [0,1,0,0,0,0|1,0,1]=3 2626 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [0,1,0,0,0,0|1,0,1]=3 2627 B13R0.147 CNCCCCCOCCC(=O)OC 34a_100000722520_100000742370 [0,1,0,0,0,0|2,0,1]=4 2628 B13R0.147 CNCCCOCCCCC(=O)OC 34a_100000213112_100000204269 [0,1,0,0,0,0|2,0,1]=4 2629 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,1,0,0,0,0|1,0,1]=3 2630 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,1,0,0,0,0|1,0,1]=3 2631 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [0,1,0,0,0,0|1,0,1]=3 2632 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [0,1,0,0,0,0|1,0,1]=3 2633 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [0,1,0,0,0,0|1,0,1]=3 2634 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [0,1,0,0,0,0|1,0,1]=3 2635 B13R0.147 COC(=O)CCCCCCCOCF 34a_100011022521_100015361967 [0,1,0,0,0,0|2,0,1]=4 2636 B13R0.147 COC(=O)CCCCCCCOCF 7a_100011022521_100015361967 [0,1,0,0,0,0|2,0,1]=4 2637 B13R0.147 COC(=O)CCCCCCCSCF 62a_100010004213_100015361967 [0,1,0,0,0,0|2,0,1]=4 2638 B13R0.147 COC(=O)CCCCCCCSCF 62a_100015361967_100010004213 [0,1,0,0,0,0|2,0,1]=4 2639 B13R0.147 COC(=O)CCCCCCNCCF 34a_100000724931_100009815986 [0,1,0,0,0,0|2,0,1]=4 2640 B13R0.147 COC(=O)CCCCCCNCCO 2230a_100016997473_100009815986 [0,1,0,0,0,0|2,0,1]=4 2641 B13R0.147 COC(=O)CCCCCCNCCO 34a_100016990907_100009815986 [0,1,0,0,0,0|2,0,1]=4 2642 B13R0.147 COC(=O)CCCCCCOCC#N 7a_100009863599_100011215382 [0,1,0,0,0,0|2,0,1]=4 2643 B13R0.147 COC(=O)CCCCCCOCC=O 34a_100009863599_200009817547 [0,1,0,0,0,0|2,0,0]=3 2644 B13R0.147 COC(=O)CCCCCCOCC=O 7a_100009863599_200015260668 [0,1,0,0,0,0|2,0,0]=3 2645 B13R0.147 COC(=O)CCCCCCOCCBr 34a_100000211926_100009815986 [0,1,0,0,0,0|2,0,1]=4 2646 B13R0.147 COC(=O)CCCCCCOCCF 34a_100009863599_100011217306 [0,1,0,0,0,0|2,0,1]=4 2647 B13R0.147 COC(=O)CCCCCCOCCF 7a_100009863599_100011217306 [0,1,0,0,0,0|2,0,1]=4 2648 B13R0.147 COC(=O)CCCCCCOCCN 34a_100000210304_100009815986 [0,1,0,0,0,0|2,0,1]=4 2649 B13R0.147 COC(=O)CCCCCCOCCO 34a_100009863599_100000211926 [0,1,0,0,0,0|2,0,1]=4 2650 B13R0.147 COC(=O)CCCCCCOCCO 7a_100009863599_100000211926 [0,1,0,0,0,0|2,0,1]=4 2651 B13R0.147 COC(=O)CCCCCCOCSC 34a_100009863599_100011218213 [0,1,0,0,0,0|2,0,1]=4 2652 B13R0.147 COC(=O)CCCCCCSCC#N 62a_100009815986_100011215382 [0,1,0,0,0,0|2,0,1]=4 2653 B13R0.147 COC(=O)CCCCCCSCC#N 62a_100011215382_100009815986 [0,1,0,0,0,0|2,0,1]=4 2654 B13R0.147 COC(=O)CCCCCCSCC=O 62a_100009815986_200015260668 [0,1,0,0,0,0|2,0,0]=3 2655 B13R0.147 COC(=O)CCCCCCSCC=O 62a_200015260668_100009815986 [0,1,0,0,0,0|2,0,0]=3 2656 B13R0.147 COC(=O)CCCCCCSCCF 62a_100009815986_100011217306 [0,1,0,0,0,0|2,0,1]=4 2657 B13R0.147 COC(=O)CCCCCCSCCF 62a_100011217306_100009815986 [0,1,0,0,0,0|2,0,1]=4 2658 B13R0.147 COC(=O)CCCCCCSCCO 62a_100000211926_100009815986 [0,1,0,0,0,0|2,0,1]=4 2659 B13R0.147 COC(=O)CCCCCCSCCO 62a_100009815986_100000211926 [0,1,0,0,0,0|2,0,1]=4 2660 B13R0.147 COC(=O)CCCCCCSCSC 62a_100009815986_100011218213 [0,1,0,0,0,0|2,0,1]=4 2661 B13R0.147 COC(=O)CCCCCCSCSC 62a_100011218213_100009815986 [0,1,0,0,0,0|2,0,1]=4 2662 B13R0.147 COC(=O)CCCCCNCCCF 2230a_100015189416_100009816466 [0,1,0,0,0,0|2,0,1]=4 2663 B13R0.147 COC(=O)CCCCCNCCCF 34a_100015189416_100009816466 [0,1,0,0,0,0|2,0,1]=4 2664 B13R0.147 COC(=O)CCCCCNCCSC 2230a_100020590264_100009816466 [0,1,0,0,0,0|2,0,1]=4 2665 B13R0.147 COC(=O)CCCCCOCCC#N 7a_100000074720_100000184422 [0,1,0,0,0,0|2,0,1]=4 2666 B13R0.147 COC(=O)CCCCCOCCCBr 34a_100011217188_100009816466 [0,1,0,0,0,0|2,0,1]=4 2667 B13R0.147 COC(=O)CCCCCOCCCCl 34a_100000230001_100009816466 [0,1,0,0,0,0|2,0,1]=4 2668 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000074720_100011934791 [0,1,0,0,0,0|2,0,1]=4 2669 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000759539_100009816466 [0,1,0,0,0,0|2,0,1]=4 2670 B13R0.147 COC(=O)CCCCCOCCCF 7a_100000074720_100011934791 [0,1,0,0,0,0|2,0,1]=4 2671 B13R0.147 COC(=O)CCCCCOCCCN 34a_100000182051_100009816466 [0,1,0,0,0,0|2,0,1]=4 2672 B13R0.147 COC(=O)CCCCCOCCCO 34a_100000074720_100000230001 [0,1,0,0,0,0|2,0,1]=4 2673 B13R0.147 COC(=O)CCCCCOCCCO 7a_100000074720_100011215043 [0,1,0,0,0,0|2,0,1]=4 2674 B13R0.147 COC(=O)CCCCCOCCON 34a_100000700252_100009816466 [0,1,0,0,0,0|3,0,0]=4 2675 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000074720_100000212216 [0,1,0,0,0,0|2,0,1]=4 2676 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000230434_100009816466 [0,1,0,0,0,0|2,0,1]=4 2677 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000074720_100000212216 [0,1,0,0,0,0|2,0,1]=4 2678 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000230434_100009816466 [0,1,0,0,0,0|2,0,1]=4 2679 B13R0.147 COC(=O)CCCCCSCCC#N 62a_100009816466_100011215226 [0,1,0,0,0,0|2,0,1]=4 2680 B13R0.147 COC(=O)CCCCCSCCC#N 62a_100011215226_100009816466 [0,1,0,0,0,0|2,0,1]=4 2681 B13R0.147 COC(=O)CCCCCSCCCF 62a_100009816466_100011934791 [0,1,0,0,0,0|2,0,1]=4 2682 B13R0.147 COC(=O)CCCCCSCCCF 62a_100011934791_100009816466 [0,1,0,0,0,0|2,0,1]=4 2683 B13R0.147 COC(=O)CCCCCSCCCO 62a_100009816466_100011215043 [0,1,0,0,0,0|2,0,1]=4 2684 B13R0.147 COC(=O)CCCCCSCCCO 62a_100011215043_100009816466 [0,1,0,0,0,0|2,0,1]=4 2685 B13R0.147 COC(=O)CCCCCSCCSC 62a_100000212216_100009816466 [0,1,0,0,0,0|2,0,1]=4 2686 B13R0.147 COC(=O)CCCCCSCCSC 62a_100009816466_100000751147 [0,1,0,0,0,0|2,0,1]=4 2687 B13R0.147 COC(=O)CCCCNCCCCO 2230a_100000750430_100000204269 [0,1,0,0,0,0|2,0,1]=4 2688 B13R0.147 COC(=O)CCCCNCCCCO 34a_100000750430_100000204269 [0,1,0,0,0,0|2,0,1]=4 2689 B13R0.147 COC(=O)CCCCNCCCSC 2230a_100000749238_100000204269 [0,1,0,0,0,0|2,0,1]=4 2690 B13R0.147 COC(=O)CCCCOCCCC#N 7a_100000059025_100000687738 [0,1,0,0,0,0|2,0,1]=4 2691 B13R0.147 COC(=O)CCCCOCCCC=O 7a_100000059025_200011292268 [0,1,0,0,0,0|2,0,0]=3 2692 B13R0.147 COC(=O)CCCCOCCCCBr 34a_100011216708_100000204269 [0,1,0,0,0,0|2,0,1]=4 2693 B13R0.147 COC(=O)CCCCOCCCCCl 34a_100000210776_100000204269 [0,1,0,0,0,0|2,0,1]=4 2694 B13R0.147 COC(=O)CCCCOCCCCCl 7a_100000210776_100000204269 [0,1,0,0,0,0|2,0,1]=4 2695 B13R0.147 COC(=O)CCCCOCCCCF 34a_100000059025_100000729493 [0,1,0,0,0,0|2,0,1]=4 2696 B13R0.147 COC(=O)CCCCOCCCCF 34a_100011995726_100000204269 [0,1,0,0,0,0|2,0,1]=4 2697 B13R0.147 COC(=O)CCCCOCCCCF 7a_100000059025_100000729493 [0,1,0,0,0,0|2,0,1]=4 2698 B13R0.147 COC(=O)CCCCOCCCCF 7a_100011995726_100000204269 [0,1,0,0,0,0|2,0,1]=4 2699 B13R0.147 COC(=O)CCCCOCCCCI 34a_200012148704_100000204269 [0,1,0,0,0,0|2,0,1]=4 2700 B13R0.147 COC(=O)CCCCOCCCCN 34a_100000750430_100000204269 [0,1,0,0,0,0|2,0,1]=4 2701 B13R0.147 COC(=O)CCCCOCCCCO 34a_100000059025_100011216708 [0,1,0,0,0,0|2,0,1]=4 2702 B13R0.147 COC(=O)CCCCOCCCCO 7a_100000059025_100000210776 [0,1,0,0,0,0|2,0,1]=4 2703 B13R0.147 COC(=O)CCCCOCCCSC 34a_100000690336_100000204269 [0,1,0,0,0,0|2,0,1]=4 2704 B13R0.147 COC(=O)CCCCOCCCSC 7a_100000690336_100000204269 [0,1,0,0,0,0|2,0,1]=4 2705 B13R0.147 COC(=O)CCCCSCCCC#N 62a_100000204269_100000687738 [0,1,0,0,0,0|2,0,1]=4 2706 B13R0.147 COC(=O)CCCCSCCCC#N 62a_100000687738_100000204269 [0,1,0,0,0,0|2,0,1]=4 2707 B13R0.147 COC(=O)CCCCSCCCC=O 62a_100000204269_200011292268 [0,1,0,0,0,0|2,0,0]=3 2708 B13R0.147 COC(=O)CCCCSCCCC=O 62a_200011292268_100000204269 [0,1,0,0,0,0|2,0,0]=3 2709 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000204269_100000729493 [0,1,0,0,0,0|2,0,1]=4 2710 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000729493_100000204269 [0,1,0,0,0,0|2,0,1]=4 2711 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000204269_100000210776 [0,1,0,0,0,0|2,0,1]=4 2712 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000210776_100000204269 [0,1,0,0,0,0|2,0,1]=4 2713 B13R0.147 COC(=O)CCCNCCCCCO 2230a_100000762737_100011218270 [0,1,0,0,0,0|2,0,1]=4 2714 B13R0.147 COC(=O)CCCNCCCCCO 34a_100000762737_100000742333 [0,1,0,0,0,0|2,0,1]=4 2715 B13R0.147 COC(=O)CCCOCCCCCBr 34a_100000746331_100000742333 [0,1,0,0,0,0|2,0,1]=4 2716 B13R0.147 COC(=O)CCCOCCCCCBr 7a_100000746331_100011218270 [0,1,0,0,0,0|2,0,1]=4 2717 B13R0.147 COC(=O)CCCOCCCCCCl 34a_100000746330_100000742333 [0,1,0,0,0,0|2,0,1]=4 2718 B13R0.147 COC(=O)CCCOCCCCCCl 7a_100000746330_100011218270 [0,1,0,0,0,0|2,0,1]=4 2719 B13R0.147 COC(=O)CCCOCCCCCI 34a_200012148887_100000742333 [0,1,0,0,0,0|2,0,1]=4 2720 B13R0.147 COC(=O)CCCOCCCCCI 7a_200012148887_100011218270 [0,1,0,0,0,0|2,0,1]=4 2721 B13R0.147 COC(=O)CCCOCCCCCN 34a_100000762737_100000742333 [0,1,0,0,0,0|2,0,1]=4 2722 B13R0.147 COC(=O)CCCOCCCCSC 34a_100011217163_100000742333 [0,1,0,0,0,0|2,0,1]=4 2723 B13R0.147 COC(=O)CCCOCCCCSC 7a_100011217163_100011218270 [0,1,0,0,0,0|2,0,1]=4 2724 B13R0.147 COC(=O)CCCSCCCCC#N 62a_100011218270_100000211819 [0,1,0,0,0,0|2,0,1]=4 2725 B13R0.147 COC(=O)CCCSCCCCC#N 62a_100011219923_100011218270 [0,1,0,0,0,0|2,0,1]=4 2726 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100000139335_100011218270 [0,1,0,0,0,0|2,0,0]=3 2727 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100011218270_100000139335 [0,1,0,0,0,0|2,0,0]=3 2728 B13R0.147 COC(=O)CCCSCCCCCF 62a_100000729378_100011218270 [0,1,0,0,0,0|2,0,1]=4 2729 B13R0.147 COC(=O)CCCSCCCCCF 62a_100011218270_100000729378 [0,1,0,0,0,0|2,0,1]=4 2730 B13R0.147 COC(=O)CCCSCCCCCO 62a_100000746330_100011218270 [0,1,0,0,0,0|2,0,1]=4 2731 B13R0.147 COC(=O)CCCSCCCCCO 62a_100011218270_100000746330 [0,1,0,0,0,0|2,0,1]=4 2732 B13R0.147 COC(=O)CCNCCCCCCO 2230a_100000686447_100000204255 [0,1,0,0,0,0|2,0,1]=4 2733 B13R0.147 COC(=O)CCNCCCCCCO 34a_100000686447_100000742370 [0,1,0,0,0,0|2,0,1]=4 2734 B13R0.147 COC(=O)CCOCCCCCCBr 34a_100011215345_100000742370 [0,1,0,0,0,0|2,0,1]=4 2735 B13R0.147 COC(=O)CCOCCCCCCBr 7a_100011215345_100000204255 [0,1,0,0,0,0|2,0,1]=4 2736 B13R0.147 COC(=O)CCOCCCCCCCl 34a_100000766143_100000742370 [0,1,0,0,0,0|2,0,1]=4 2737 B13R0.147 COC(=O)CCOCCCCCCCl 7a_100000766143_100000204255 [0,1,0,0,0,0|2,0,1]=4 2738 B13R0.147 COC(=O)CCOCCCCCCF 34a_100000732779_100000742370 [0,1,0,0,0,0|2,0,1]=4 2739 B13R0.147 COC(=O)CCOCCCCCCF 7a_100000732779_100000204255 [0,1,0,0,0,0|2,0,1]=4 2740 B13R0.147 COC(=O)CCOCCCCCCN 34a_100000686447_100000742370 [0,1,0,0,0,0|2,0,1]=4 2741 B13R0.147 COC(=O)CCSCCCCCC#N 62a_100000204255_100009813376 [0,1,0,0,0,0|2,0,1]=4 2742 B13R0.147 COC(=O)CCSCCCCCC#N 62a_100009813376_100000204255 [0,1,0,0,0,0|2,0,1]=4 2743 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000139337_100000204255 [0,1,0,0,0,0|2,0,0]=3 2744 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000204255_100000139337 [0,1,0,0,0,0|2,0,0]=3 2745 B13R0.147 COC(=O)CCSCCCCCCF 62a_100000204255_100015922095 [0,1,0,0,0,0|2,0,1]=4 2746 B13R0.147 COC(=O)CCSCCCCCCF 62a_100015922095_100000204255 [0,1,0,0,0,0|2,0,1]=4 2747 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000204255_100000766143 [0,1,0,0,0,0|2,0,1]=4 2748 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000766143_100000204255 [0,1,0,0,0,0|2,0,1]=4 2749 B13R0.147 COC(=O)CNCCCCCCCO 2230a_100011996573_100000747449 [0,1,0,0,0,0|2,0,1]=4 2750 B13R0.147 COC(=O)CNCCCCCCCO 34a_100011996573_100000747449 [0,1,0,0,0,0|2,0,1]=4 2751 B13R0.147 COC(=O)COCCCCCCCBr 34a_100000760002_100000747449 [0,1,0,0,0,0|2,0,1]=4 2752 B13R0.147 COC(=O)COCCCCCCCBr 7a_100000760002_100000747449 [0,1,0,0,0,0|2,0,1]=4 2753 B13R0.147 COC(=O)COCCCCCCCN 34a_100011996573_100000747449 [0,1,0,0,0,0|2,0,1]=4 2754 B13R0.147 COC(=O)COCCSCCCC=O 62a_100000090808_200011292268 [0,1,0,0,0,0|3,0,0]=4 2755 B13R0.147 COC(=O)COCCSCCCC=O 62a_200011292268_100000090808 [0,1,0,0,0,0|3,0,0]=4 2756 B13R0.147 COC(=O)CSCCCCCCC#N 62a_100000747449_100009813337 [0,1,0,0,0,0|2,0,1]=4 2757 B13R0.147 COC(=O)CSCCCCCCC#N 62a_100009813337_100000747449 [0,1,0,0,0,0|2,0,1]=4 2758 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000747449_100000760002 [0,1,0,0,0,0|2,0,1]=4 2759 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000760002_100000747449 [0,1,0,0,0,0|2,0,1]=4 2760 B13R0.147 COC(=O)OCSCCCCCC=O 62a_100000139337_100000139417 [0,1,0,0,0,0|3,0,0]=4 2761 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,1,0,0,0,0|1,0,1]=3 2762 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,1,0,0,0,0|1,0,1]=3 2763 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,1,0,0,0,0|1,0,1]=3 2764 B13R0.147 COCCCCCCOCC(=O)OC 34a_200012092642_100000747449 [0,1,0,0,0,0|2,0,1]=4 2765 B13R0.147 COCCCCCCOCC(=O)OC 7a_200012092642_100000747449 [0,1,0,0,0,0|2,0,1]=4 2766 B13R0.147 COCCCCCCSCC(=O)OC 62a_100000747449_100011998445 [0,1,0,0,0,0|2,0,1]=4 2767 B13R0.147 COCCCCCCSCC(=O)OC 62a_100011998445_100000747449 [0,1,0,0,0,0|2,0,1]=4 2768 B13R0.147 COCCCCCNCCC(=O)OC 2230a_100000747528_100000204255 [0,1,0,0,0,0|2,0,1]=4 2769 B13R0.147 COCCCCCNCCC(=O)OC 34a_100000747528_100000742370 [0,1,0,0,0,0|2,0,1]=4 2770 B13R0.147 COCCCCOCCCC(=O)OC 34a_100000740925_100000742333 [0,1,0,0,0,0|2,0,1]=4 2771 B13R0.147 COCCCCSCCCC(=O)OC 62a_100000730899_100011218270 [0,1,0,0,0,0|2,0,1]=4 2772 B13R0.147 COCCCCSCCCC(=O)OC 62a_100011218270_100000730899 [0,1,0,0,0,0|2,0,1]=4 2773 B13R0.147 COCCCNCCCCC(=O)OC 34a_100150723488_100000204269 [0,1,0,0,0,0|2,0,1]=4 2774 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000059025_100000740836 [0,1,0,0,0,0|2,0,1]=4 2775 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000740835_100000204269 [0,1,0,0,0,0|2,0,1]=4 2776 B13R0.147 COCCCOCCCCC(=O)OC 7a_100000059025_100000740836 [0,1,0,0,0,0|2,0,1]=4 2777 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000204269_100000709357 [0,1,0,0,0,0|2,0,1]=4 2778 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000709357_100000204269 [0,1,0,0,0,0|2,0,1]=4 2779 B13R0.147 COCCNCCCCCC(=O)OC 2230a_100000209980_100009816466 [0,1,0,0,0,0|2,0,1]=4 2780 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000074720_100011201679 [0,1,0,0,0,0|2,0,1]=4 2781 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000210237_100009816466 [0,1,0,0,0,0|2,0,1]=4 2782 B13R0.147 COCCOCCCCCC(=O)OC 7a_100000074720_100000233755 [0,1,0,0,0,0|2,0,1]=4 2783 B13R0.147 COCCSCCCCCC(=O)OC 62a_100000233755_100009816466 [0,1,0,0,0,0|2,0,1]=4 2784 B13R0.147 COCCSCCCCCC(=O)OC 62a_100009816466_100000233755 [0,1,0,0,0,0|2,0,1]=4 2785 B13R0.147 COCSCCCCCCC(=O)OC 62a_100000766300_100009815986 [0,1,0,0,0,0|2,0,1]=4 2786 B13R0.147 COCSCCCCCCC(=O)OC 62a_100009815986_100000766300 [0,1,0,0,0,0|2,0,1]=4 2787 B13R0.147 O=C(CF)CCCCCCCCCF 1458a_200009909015_100015361967 [0,1,0,0,0,0|2,0,1]=4 2788 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,1,0,0,0,0|1,0,1]=3 2789 B13R0.147 O=C(CO)NCCCCCCCCO 240690a_102515433106_100000210174 [0,1,0,0,0,0|2,0,1]=4 2790 B13R0.150 C#CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012276617 [0,1,0,0,0,0|1,0,2]=4 2791 B13R0.150 C#CCCCCCNCC(C)C(=O)O 269956a_100000749485_100012094781 [0,1,0,0,0,0|1,0,2]=4 2792 B13R0.150 C#CCCCCCNCC(F)C(=O)O 269956a_100000084737_100012094781 [0,1,0,0,0,0|1,0,2]=4 2793 B13R0.150 C=CCCCCCCCC(=O)C(=C)C 1458a_100000185857_100012355270 [0,1,0,0,0,0|2,0,1]=4 2794 B13R0.150 C=CCCCCCCCC(=O)C(O)O 1458a_100000233687_100012355270 [0,1,0,0,0,0|0,0,3]=4 2795 B13R0.150 C=CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012355270 [0,1,0,0,0,0|1,0,2]=4 2796 B13R0.150 C=CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012355270 [0,1,0,0,0,0|1,0,2]=4 2797 B13R0.150 C=CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215473 [0,1,0,0,0,0|1,0,0]=2 2798 B13R0.150 C=CCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215473 [0,1,0,0,0,0|2,0,0]=3 2799 B13R0.150 C=CCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011215473 [0,1,0,0,0,0|2,0,0]=3 2800 B13R0.150 C=CCCCCCCOC(C)C(=O)C 34a_100000212229_100011215473 [0,1,0,0,0,0|2,0,0]=3 2801 B13R0.150 C=CCCCCCCOC(C)C(=O)C 7a_200011216477_100000179758 [0,1,0,0,0,0|2,0,0]=3 2802 B13R0.150 C=CCCCCCCOC(C)C(=O)N 34a_200011216477_100000702099 [0,1,0,0,0,0|2,0,0]=3 2803 B13R0.150 C=CCCCCCCOC(C)C(=O)N 7a_200011216477_100000702099 [0,1,0,0,0,0|2,0,0]=3 2804 B13R0.150 C=CCCCCCCOC(F)C(=O)N 34a_200011216477_100009813875 [0,1,0,0,0,0|2,0,0]=3 2805 B13R0.150 C=CCCCCCCOC(F)C(=O)N 7a_200011216477_100009813875 [0,1,0,0,0,0|2,0,0]=3 2806 B13R0.150 C=CCCCCCCOC(F)C(=O)[O-] 34a_200011216477_100020610796 [0,1,0,0,0,0|1,0,1]=3 2807 B13R0.150 C=CCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215473 [0,1,0,0,0,0|1,0,1]=3 2808 B13R0.150 C=CCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011215473 [0,1,0,0,0,0|2,0,0]=3 2809 B13R0.150 C=CCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100011215473 [0,1,0,0,0,0|2,0,0]=3 2810 B13R0.150 C=CCCCCCCSC(C)C(=O)C 62a_100009814033_100011215473 [0,1,0,0,0,0|2,0,0]=3 2811 B13R0.150 C=CCCCCCCSC(C)C(=O)C 62a_100011215473_100009814033 [0,1,0,0,0,0|2,0,0]=3 2812 B13R0.150 C=CCCCCCCSC(C)C(=O)N 62a_100000702099_100011215473 [0,1,0,0,0,0|2,0,0]=3 2813 B13R0.150 C=CCCCCCCSC(C)C(=O)N 62a_100011215473_100000702099 [0,1,0,0,0,0|2,0,0]=3 2814 B13R0.150 C=CCCCCCCSC(F)C(=O)N 62a_100009813875_100011215473 [0,1,0,0,0,0|2,0,0]=3 2815 B13R0.150 C=CCCCCCCSC(F)C(=O)N 62a_100011215473_100009813875 [0,1,0,0,0,0|2,0,0]=3 2816 B13R0.150 C=CCCCCCCSC(F)C(=O)[O-] 62a_100011215473_100020610796 [0,1,0,0,0,0|1,0,1]=3 2817 B13R0.150 C=CCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011215473 [0,1,0,0,0,0|1,0,1]=3 2818 B13R0.150 C=CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000700193 [0,1,0,0,0,0|1,0,0]=2 2819 B13R0.150 C=CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000700193 [0,1,0,0,0,0|1,0,0]=2 2820 B13R0.150 C=CCCCCCOCC(=O)C(=O)C 34a_100011216702_100011261029 [0,1,0,0,0,0|2,0,1]=4 2821 B13R0.150 C=CCCCCCOCC(C)C(=O)C 34a_100000032740_100000700193 [0,1,0,0,0,0|2,0,0]=3 2822 B13R0.150 C=CCCCCCOCC(C)C(=O)C 7a_100000032740_100000700193 [0,1,0,0,0,0|2,0,0]=3 2823 B13R0.150 C=CCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000700193 [0,1,0,0,0,0|2,0,1]=4 2824 B13R0.150 C=CCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000700193 [0,1,0,0,0,0|2,0,1]=4 2825 B13R0.150 C=CCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000700193 [0,1,0,0,0,0|2,0,0]=3 2826 B13R0.150 C=CCCCCCSCC(=O)C(=O)C 62a_100000700193_100011261029 [0,1,0,0,0,0|2,0,1]=4 2827 B13R0.150 C=CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000700193 [0,1,0,0,0,0|2,0,1]=4 2828 B13R0.150 CC(=O)C(C)COCCCCCC=O 7a_100000032740_100000139337 [0,1,0,0,0,0|3,0,0]=4 2829 B13R0.150 CC(CNCCCCCC#N)C(=O)O 269956a_100000749485_100009813376 [0,1,0,0,0,0|2,0,1]=4 2830 B13R0.150 CC(CNCCCCCC=O)C(=O)O 269956a_100000749485_100000139337 [0,1,0,0,0,0|2,0,0]=3 2831 B13R0.150 CC(CNCCCCCCF)C(=O)O 269956a_100000749485_100015922095 [0,1,0,0,0,0|2,0,1]=4 2832 B13R0.150 CC(CNCCCCCCO)C(=O)O 269956a_100000749485_100000766143 [0,1,0,0,0,0|2,0,1]=4 2833 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [0,1,0,0,0,0|1,0,2]=4 2834 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [0,1,0,0,0,0|1,0,2]=4 2835 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [0,1,0,0,0,0|1,0,2]=4 2836 B13R0.150 COCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011998445 [0,1,0,0,0,0|2,0,1]=4 2837 B13R0.150 C[C@H](NCCCCCCC#N)C(=O)O 269956a_100000743915_100009813337 [0,1,0,0,0,0|2,0,1]=4 2838 B13R0.150 C[C@H](NCCCCCCCO)C(=O)O 269956a_100000743915_100000760002 [0,1,0,0,0,0|2,0,1]=4 2839 B13R0.150 N#CCCCCCNCC(F)C(=O)O 269956a_100000084737_100009813376 [0,1,0,0,0,0|2,0,1]=4 2840 B13R0.150 O=C(O)C(F)CNCCCCCCF 269956a_100000084737_100015922095 [0,1,0,0,0,0|2,0,1]=4 2841 B13R0.150 O=C(O)C(F)CNCCCCCCO 269956a_100000084737_100000766143 [0,1,0,0,0,0|2,0,1]=4 2842 B13R0.150 O=CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000139337 [0,1,0,0,0,0|2,0,0]=3 2843 B13R0.154 C=CCCCCCC(=O)CCC(=C)C 1458a_100011934241_100000730704 [0,1,0,0,0,0|2,0,1]=4 2844 B13R0.154 C=CCCCCCC(=O)CCC(=C)C 1458a_200000688413_100000700193 [0,1,0,0,0,0|2,0,1]=4 2845 B13R0.154 C=CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000700193 [0,1,0,0,0,0|1,0,1]=3 2846 B13R0.154 C=CCCCCCC(=O)CCC(C)O 1458a_100011934241_100012276601 [0,1,0,0,0,0|1,0,2]=4 2847 B13R0.154 C=CCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000700193 [0,1,0,0,0,0|1,0,2]=4 2848 B13R0.154 C=CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000700193 [0,1,0,0,0,0|2,0,1]=4 2849 B13R0.154 C=CCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000700193 [0,1,0,0,0,0|2,0,1]=4 2850 B13R0.154 C=CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000700193 [0,1,0,0,0,0|2,0,1]=4 2851 B13R0.154 C=CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000700193 [0,1,0,0,0,0|2,0,1]=4 2852 B13R0.154 C=CCCCCCC(=O)NCC(=O)N 11a_100000711301_100011934241 [0,1,0,0,0,0|2,0,1]=4 2853 B13R0.154 C=CCCCCCC(=O)NCC(=O)N 240690a_100000711301_100011934241 [0,1,0,0,0,0|2,0,1]=4 2854 B13R0.154 C=CCCCCCC(=O)NCC(=O)N 527a_100000711301_100011934241 [0,1,0,0,0,0|2,0,1]=4 2855 B13R0.154 C=CCCCCCN(C)CCC(=O)N 2230a_100000730477_100000700193 [0,1,0,0,0,0|2,0,0]=3 2856 B13R0.154 C=CCCCCNC(=O)CCC(=O)N 240690a_100000703577_100011215257 [0,1,0,0,0,0|2,0,1]=4 2857 B13R0.154 C=CCCCCNC(=O)CCC(=O)N 527a_100000703577_100011215257 [0,1,0,0,0,0|2,0,1]=4 2858 B13R0.154 C=CCCCCNC(C)CCC(=C)C 270004a_100000703577_100011215600 [0,1,0,0,0,0|3,0,0]=4 2859 B13R0.154 C=CCCCCNC(C)COC(=O)C 270004a_100000703577_100000000629 [0,1,0,0,0,0|3,0,0]=4 2860 B13R0.154 C=CCCCNCC(=O)NCC(=O)O 269956a_100000183575_100011713584 [0,1,0,0,0,0|2,0,1]=4 2861 B13R0.154 C=CCCCNCC(C)CSC(=O)C 2230a_100000700776_200000116872 [0,1,0,0,0,0|3,0,0]=4 2862 B13R0.154 C=CCCCNCC(C)CSC(=O)C 34a_100000700776_200000116872 [0,1,0,0,0,0|3,0,0]=4 2863 B13R0.154 C=CCCCNCC(O)COC(=O)C 34a_100000700776_200000139349 [0,1,0,0,0,0|3,0,0]=4 2864 B13R0.154 C=CCCCOCC(C)CSC(=O)C 34a_100000758997_200000116872 [0,1,0,0,0,0|3,0,0]=4 2865 B13R0.154 C=CCCCOCC(C)CSC(=O)C 7a_100000758997_200000116872 [0,1,0,0,0,0|3,0,0]=4 2866 B13R0.154 C=CCCCOCC(O)COC(=O)C 34a_100000758997_200000139349 [0,1,0,0,0,0|3,0,0]=4 2867 B13R0.154 C=CCCCOCC(O)COC(=O)C 7a_100000758997_200000139349 [0,1,0,0,0,0|3,0,0]=4 2868 B13R0.154 C=CCCCSCC(C)CSC(=O)C 62a_100011713584_200000116872 [0,1,0,0,0,0|3,0,0]=4 2869 B13R0.154 C=CCCCSCC(C)CSC(=O)C 62a_200000116872_100000757094 [0,1,0,0,0,0|3,0,0]=4 2870 B13R0.154 C=CCCCSCC(O)COC(=O)C 62a_100011713584_200000139349 [0,1,0,0,0,0|3,0,0]=4 2871 B13R0.154 C=CCCCSCC(O)COC(=O)C 62a_200000139349_100000757094 [0,1,0,0,0,0|3,0,0]=4 2872 B13R0.154 C=CCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000754431 [0,1,0,0,0,0|2,0,1]=4 2873 B13R0.154 CCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011218727 [0,1,0,0,0,0|1,0,2]=4 2874 B13R0.154 CN(CCCCCC=O)CCC(=O)N 2230a_100000730477_100000139337 [0,1,0,0,0,0|3,0,0]=4 2875 B13R0.179 C=C(Br)CCOCCCCCB(O)O 34a_100009813270_200009817188 [0,1,0,0,0,0|2,0,1]=4 2876 B13R0.179 C=C(Br)CCOCCCCCC(=O)N 34a_100009813270_100009817443 [0,1,0,0,0,0|2,0,0]=3 2877 B13R0.179 C=C(Br)CCOCCCCOC(=O)C 34a_100009813270_100000033659 [0,1,0,0,0,0|3,0,0]=4 2878 B13R0.179 C=C(Br)CCOCCCCSC(=O)C 34a_100009813270_200010402107 [0,1,0,0,0,0|3,0,0]=4 2879 B13R0.179 C=C(C)CCNCCCCNC(=O)C 2230a_200011368371_100000730704 [0,1,0,0,0,0|3,0,0]=4 2880 B13R0.179 C=C(C)CCNCCCCNC(=O)C 34a_200011368371_100000730704 [0,1,0,0,0,0|3,0,0]=4 2881 B13R0.179 C=C(C)CCOCCCCCB(O)O 34a_100000764851_200009817188 [0,1,0,0,0,0|2,0,1]=4 2882 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000123541_100000730704 [0,1,0,0,0,0|2,0,0]=3 2883 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000764851_100009817443 [0,1,0,0,0,0|2,0,0]=3 2884 B13R0.179 C=C(C)CCOCCCCCC(=O)N 7a_100000123541_100000730704 [0,1,0,0,0,0|2,0,0]=3 2885 B13R0.179 C=C(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000730704 [0,1,0,0,0,0|1,0,1]=3 2886 B13R0.179 C=C(C)CCOCCCCOC(=O)C 34a_100000073216_100000730704 [0,1,0,0,0,0|3,0,0]=4 2887 B13R0.179 C=C(C)CCOCCCCOC(=O)C 34a_100000764851_100000033659 [0,1,0,0,0,0|3,0,0]=4 2888 B13R0.179 C=C(C)CCOCCCCOC(=O)C 7a_100000073216_100000730704 [0,1,0,0,0,0|3,0,0]=4 2889 B13R0.179 C=C(C)CCOCCCCSC(=O)C 34a_100000764851_200010402107 [0,1,0,0,0,0|3,0,0]=4 2890 B13R0.179 C=C(C)CCSCCCCCB(O)O 62a_100000730704_200009817188 [0,1,0,0,0,0|2,0,1]=4 2891 B13R0.179 C=C(C)CCSCCCCCB(O)O 62a_200009817188_100000730704 [0,1,0,0,0,0|2,0,1]=4 2892 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100000730704_100009817443 [0,1,0,0,0,0|2,0,0]=3 2893 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100009817443_100000730704 [0,1,0,0,0,0|2,0,0]=3 2894 B13R0.179 C=C(C)CCSCCCCOC(=O)C 62a_100000033659_100000730704 [0,1,0,0,0,0|3,0,0]=4 2895 B13R0.179 C=C(C)CCSCCCCOC(=O)C 62a_100000730704_100000033659 [0,1,0,0,0,0|3,0,0]=4 2896 B13R0.179 C=C(C)CCSCCCCSC(=O)C 62a_100000730704_200010402107 [0,1,0,0,0,0|3,0,0]=4 2897 B13R0.179 C=C(C)CCSCCCCSC(=O)C 62a_200010402107_100000730704 [0,1,0,0,0,0|3,0,0]=4 2898 B13R0.179 C=C(C)CNCCCCCNC(=O)C 2230a_200012022750_100000748629 [0,1,0,0,0,0|3,0,0]=4 2899 B13R0.179 C=C(C)CNCCCCCNC(=O)C 34a_200012022750_100000748629 [0,1,0,0,0,0|3,0,0]=4 2900 B13R0.179 C=C(C)COCCCCCCB(O)O 34a_100000210245_100009817187 [0,1,0,0,0,0|2,0,1]=4 2901 B13R0.179 C=C(C)COCCCCCOC(=O)C 34a_100000210245_100000033007 [0,1,0,0,0,0|3,0,0]=4 2902 B13R0.179 C=C(C)CSCCCCCCB(O)O 62a_100000748629_100009817187 [0,1,0,0,0,0|2,0,1]=4 2903 B13R0.179 C=C(C)CSCCCCCCB(O)O 62a_100009817187_100000211660 [0,1,0,0,0,0|2,0,1]=4 2904 B13R0.179 C=C(C)CSCCCCCOC(=O)C 62a_100000033007_100000211660 [0,1,0,0,0,0|3,0,0]=4 2905 B13R0.179 C=C(C)CSCCCCCOC(=O)C 62a_100000748629_100000033007 [0,1,0,0,0,0|3,0,0]=4 2906 B13R0.179 C=C(F)CNCCCCCNC(=O)C 2230a_200012022750_100009893438 [0,1,0,0,0,0|3,0,0]=4 2907 B13R0.179 C=C(F)CNCCCCCNC(=O)C 34a_200012022750_100009893438 [0,1,0,0,0,0|3,0,0]=4 2908 B13R0.179 C=C(F)COCCCCCCB(O)O 34a_200010262243_100009817187 [0,1,0,0,0,0|2,0,1]=4 2909 B13R0.179 C=C(F)COCCCCCOC(=O)C 34a_200010262243_100000033007 [0,1,0,0,0,0|3,0,0]=4 2910 B13R0.179 C=C(F)CSCCCCCCB(O)O 62a_100000042424_100009817187 [0,1,0,0,0,0|2,0,1]=4 2911 B13R0.179 C=C(F)CSCCCCCCB(O)O 62a_100009817187_100000042424 [0,1,0,0,0,0|2,0,1]=4 2912 B13R0.179 C=C(F)CSCCCCCOC(=O)C 62a_100000033007_100000042424 [0,1,0,0,0,0|3,0,0]=4 2913 B13R0.179 C=C(F)CSCCCCCOC(=O)C 62a_100000042424_100000033007 [0,1,0,0,0,0|3,0,0]=4 2914 B13R0.179 CC(=O)CCCCNCCCC(=O)N 34a_100000739312_100009817362 [0,1,0,0,0,0|2,0,1]=4 2915 B13R0.179 CC(=O)CCCCOCCCC(=O)C 34a_100000759063_100009817362 [0,1,0,0,0,0|2,0,1]=4 2916 B13R0.179 CC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000735457 [0,1,0,0,0,0|2,0,1]=4 2917 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100000735457_100011215641 [0,1,0,0,0,0|2,0,1]=4 2918 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000735457 [0,1,0,0,0,0|2,0,1]=4 2919 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100000735457_100102525003 [0,1,0,0,0,0|2,0,1]=4 2920 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000735457 [0,1,0,0,0,0|2,0,1]=4 2921 B13R0.179 CC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000685027 [0,1,0,0,0,0|2,0,1]=4 2922 B13R0.179 CC(=O)CCCNCCOCC(=O)O 269956a_100000700818_100011215641 [0,1,0,0,0,0|2,0,1]=4 2923 B13R0.179 CC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000685027 [0,1,0,0,0,0|2,0,1]=4 2924 B13R0.179 CC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011215641 [0,1,0,0,0,0|2,0,1]=4 2925 B13R0.179 CC(=O)CCOCCCCCC(=O)N 34a_100000759926_100009817443 [0,1,0,0,0,0|2,0,1]=4 2926 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000053229 [0,1,0,0,0,0|2,0,1]=4 2927 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000759926_100009817443 [0,1,0,0,0,0|2,0,1]=4 2928 B13R0.179 CC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000053229 [0,1,0,0,0,0|1,0,2]=4 2929 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100000053229_100009817443 [0,1,0,0,0,0|2,0,1]=4 2930 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000053229 [0,1,0,0,0,0|2,0,1]=4 2931 B13R0.179 CC(=O)OCCCCCNCC(=O)O 269956a_100016091260_100000033007 [0,1,0,0,0,0|2,0,1]=4 2932 B13R0.179 NC(=O)CCCCCNOCC(=O)O 269956a_100000106656_100009817443 [0,1,0,0,0,0|3,0,0]=4 2933 B13R0.179 NC(=O)CCCCCOCCC(=O)N 34a_100000123541_100000731001 [0,1,0,0,0,0|3,0,0]=4 2934 B13R0.179 NC(=O)CCCCCOCCC(=O)N 34a_100000757172_100009817443 [0,1,0,0,0,0|3,0,0]=4 2935 B13R0.179 NC(=O)CCCCCOCCC(=O)N 7a_100000123541_100000744528 [0,1,0,0,0,0|3,0,0]=4 2936 B13R0.179 NC(=O)CCCCCOCCC(=O)N 7a_100000757172_100009817443 [0,1,0,0,0,0|3,0,0]=4 2937 B13R0.179 NC(=O)CCCCCSCCC(=O)N 62a_100000744528_100009817443 [0,1,0,0,0,0|3,0,0]=4 2938 B13R0.179 NC(=O)CCCCCSCCC(=O)N 62a_100009817443_100000744528 [0,1,0,0,0,0|3,0,0]=4 2939 B13R0.179 NC(=O)CCCCNCCCC(=O)N 34a_100000696515_100102525003 [0,1,0,0,0,0|3,0,0]=4 2940 B13R0.179 NC(=O)CCCCOCCCC(=O)N 34a_100012022536_100102525003 [0,1,0,0,0,0|3,0,0]=4 2941 B13R0.179 NC(=O)CCCCOCCCC(=O)N 7a_100012022536_100102525003 [0,1,0,0,0,0|3,0,0]=4 2942 B13R0.179 NC(=O)CCCNCCOCC(=O)O 269956a_100000700818_100102525003 [0,1,0,0,0,0|3,0,0]=4 2943 B13R0.179 NC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000744528 [0,1,0,0,0,0|2,0,1]=4 2944 B13R0.179 O=C(O)CNCCCCCCB(O)O 269956a_100016091260_100009817187 [0,1,0,0,0,0|3,0,0]=4 2945 B13R0.188 C=CCCCC(=O)CCCCB(O)O 1458a_100000766728_200009817182 [0,1,0,0,0,0|1,0,2]=4 2946 B13R0.188 C=CCCCC(=O)CCCCC(=O)C 1458a_100000766728_100000735457 [0,1,0,0,0,0|1,0,1]=3 2947 B13R0.188 C=CCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000757094 [0,1,0,0,0,0|2,0,1]=4 2948 B13R0.188 C=CCCCC(=O)CCCOC(=O)C 1458a_100000766728_100000042594 [0,1,0,0,0,0|2,0,1]=4 2949 B13R0.188 C=CCCCC(=O)CCCSC(=O)C 1458a_100000766728_100000038929 [0,1,0,0,0,0|2,0,1]=4 2950 B13R0.188 C=CCCCC(=O)CCOCC(=O)N 1458a_100000766728_100000076697 [0,1,0,0,0,0|2,0,1]=4 2951 B13R0.188 C=CCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000757094 [0,1,0,0,0,0|2,0,1]=4 2952 B13R0.188 C=CCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000766728 [0,1,0,0,0,0|2,0,1]=4 2953 B13R0.188 C=CCCCC(=O)NCCCC(=O)N 527a_100000739312_100000766728 [0,1,0,0,0,0|2,0,1]=4 2954 B13R0.188 C=CCSCC(=O)CCCCC(=O)C 1458a_100000230395_100000735457 [0,1,0,0,0,0|2,0,1]=4 2955 B13R0.202 C#CC(O)CCCCCNCC(=O)O 269956a_100016091260_200010408556 [0,1,0,0,0,0|1,0,2]=4 2956 B13R0.202 C=CC(=O)OCCCCCCC(=O)C 1458a_100000070787_100009894100 [0,1,0,0,0,0|2,0,1]=4 2957 B13R0.202 C=CC(C)COCCCCCB(O)O 34a_100011215527_200009817188 [0,1,0,0,0,0|2,0,1]=4 2958 B13R0.202 C=CC(C)COCCCCCB(O)O 7a_100011215527_200009817188 [0,1,0,0,0,0|2,0,1]=4 2959 B13R0.202 C=CC(C)COCCCCCC(=O)N 34a_100011215527_100009817443 [0,1,0,0,0,0|2,0,0]=3 2960 B13R0.202 C=CC(C)COCCCCCC(=O)N 7a_100011215527_100009817443 [0,1,0,0,0,0|2,0,0]=3 2961 B13R0.202 C=CC(C)COCCCCOC(=O)C 34a_100011215527_100000033659 [0,1,0,0,0,0|3,0,0]=4 2962 B13R0.202 C=CC(C)COCCCCOC(=O)C 7a_100011215527_100000033659 [0,1,0,0,0,0|3,0,0]=4 2963 B13R0.202 C=CC(C)COCCCCSC(=O)C 34a_100011215527_200010402107 [0,1,0,0,0,0|3,0,0]=4 2964 B13R0.202 C=CC(C)COCCCCSC(=O)C 7a_100011215527_200010402107 [0,1,0,0,0,0|3,0,0]=4 2965 B13R0.202 C=CC(C)OCCCCCCB(O)O 34a_100000695699_100009817187 [0,1,0,0,0,0|2,0,1]=4 2966 B13R0.202 C=CC(C)OCCCCCOC(=O)C 34a_100000695699_100000033007 [0,1,0,0,0,0|3,0,0]=4 2967 B13R0.202 C=CC(C)SCCCCCCB(O)O 62a_100011215867_100009817187 [0,1,0,0,0,0|2,0,1]=4 2968 B13R0.202 C=CC(C)SCCCCCOC(=O)C 62a_100011215867_100000033007 [0,1,0,0,0,0|3,0,0]=4 2969 B13R0.202 C=CC(O)CNCCCCNC(=O)C 2230a_200011368371_100000730141 [0,1,0,0,0,0|3,0,0]=4 2970 B13R0.202 C=CC(O)CNCCCCNC(=O)C 34a_200011368371_100000730141 [0,1,0,0,0,0|3,0,0]=4 2971 B13R0.202 C=CC(O)COCCCCCC(=O)N 34a_100000123541_100000730141 [0,1,0,0,0,0|2,0,0]=3 2972 B13R0.202 C=CC(O)COCCCCCC(=O)N 7a_100000123541_100000730141 [0,1,0,0,0,0|2,0,0]=3 2973 B13R0.202 C=CC(O)COCCCCCC(=O)[O-] 7a_100102619762_100000730141 [0,1,0,0,0,0|1,0,1]=3 2974 B13R0.202 C=CC(O)COCCCCOC(=O)C 34a_100000073216_100000730141 [0,1,0,0,0,0|3,0,0]=4 2975 B13R0.202 C=CC(O)COCCCCOC(=O)C 7a_100000073216_100000730141 [0,1,0,0,0,0|3,0,0]=4 2976 B13R0.202 C=CC(O)CSCCCCCB(O)O 62a_100000730141_200009817188 [0,1,0,0,0,0|2,0,1]=4 2977 B13R0.202 C=CC(O)CSCCCCCB(O)O 62a_200009817188_100000730141 [0,1,0,0,0,0|2,0,1]=4 2978 B13R0.202 C=CC(O)CSCCCCCC(=O)N 62a_100000730141_100009817443 [0,1,0,0,0,0|2,0,0]=3 2979 B13R0.202 C=CC(O)CSCCCCCC(=O)N 62a_100009817443_100000730141 [0,1,0,0,0,0|2,0,0]=3 2980 B13R0.202 C=CC(O)CSCCCCOC(=O)C 62a_100000033659_100000730141 [0,1,0,0,0,0|3,0,0]=4 2981 B13R0.202 C=CC(O)CSCCCCOC(=O)C 62a_100000730141_100000033659 [0,1,0,0,0,0|3,0,0]=4 2982 B13R0.202 C=CC(O)CSCCCCSC(=O)C 62a_100000730141_200010402107 [0,1,0,0,0,0|3,0,0]=4 2983 B13R0.202 C=CC(O)CSCCCCSC(=O)C 62a_200010402107_100000730141 [0,1,0,0,0,0|3,0,0]=4 2984 B13R0.202 C=C[C@H](N)COCCCCCB(O)O 34a_100016989147_200009817188 [0,1,0,0,0,0|2,0,1]=4 2985 B13R0.202 C=C[C@H](N)COCCCCCC(=O)N 34a_100016989147_100009817443 [0,1,0,0,0,0|2,0,0]=3 2986 B13R0.202 C=C[C@H](N)COCCCCOC(=O)C 34a_100016989147_100000033659 [0,1,0,0,0,0|3,0,0]=4 2987 B13R0.202 C=C[C@H](N)COCCCCSC(=O)C 34a_100016989147_200010402107 [0,1,0,0,0,0|3,0,0]=4 2988 B13R0.280 C=CCCCCCCNCC(C)(C)O 2230a_100000751335_100011215473 [0,1,0,0,0,0|2,0,1]=4 2989 B13R0.280 C=CCCCCCCOCC(C)(C)O 34a_200011216477_100000764493 [0,1,0,0,0,0|2,0,1]=4 2990 B13R0.280 C=CCCCCCCOCC(C)(C)O 7a_200011216477_100000764493 [0,1,0,0,0,0|2,0,1]=4 2991 B13R0.280 C=CCCCCCCOCS(=O)(=O)[O-] 34a_200011216477_100009817235 [0,1,0,0,0,0|2,0,1]=4 2992 B13R0.280 C=CCCCCCCSCC(C)(C)O 62a_100000764493_100011215473 [0,1,0,0,0,0|2,0,1]=4 2993 B13R0.280 C=CCCCCCCSCC(C)(C)O 62a_100011215473_100000764493 [0,1,0,0,0,0|2,0,1]=4 2994 B13R0.280 C=CCCCCCCSCS(=O)(=O)N 62a_100000741382_100011215473 [0,1,0,0,0,0|2,0,1]=4 2995 B13R0.280 C=CCCCCCCSCS(=O)(=O)N 62a_100011215473_100000741382 [0,1,0,0,0,0|2,0,1]=4 2996 B13R0.280 C=CCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100011215473 [0,1,0,0,0,0|2,0,1]=4 2997 B13R0.280 C=CCCCCCCSCS(=O)(=O)[O-] 62a_100011215473_100009817235 [0,1,0,0,0,0|2,0,1]=4 2998 B13R0.280 C=CCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000700193 [0,1,0,0,0,0|2,0,1]=4 2999 B13R0.280 C=CCCCCCNCCS(=O)(=O)C 34a_100000740961_100000700193 [0,1,0,0,0,0|2,0,1]=4 3000 B13R0.280 C=CCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000700193 [0,1,0,0,0,0|2,0,1]=4 3001 B13R0.280 C=CCCCCCNCCS(=O)(=O)N 34a_100000738205_100000700193 [0,1,0,0,0,0|2,0,1]=4 3002 B13R0.280 C=CCCCCCOCCC(C)(C)O 34a_100011216702_100000702414 [0,1,0,0,0,0|2,0,1]=4 3003 B13R0.280 C=CCCCCCOCCC(C)(C)O 7a_100011216702_100000702414 [0,1,0,0,0,0|2,0,1]=4 3004 B13R0.280 C=CCCCCCOCCS(=O)(=O)C 34a_100000211924_100000700193 [0,1,0,0,0,0|2,0,1]=4 3005 B13R0.280 C=CCCCCCOCCS(=O)(=O)C 34a_100011216702_100000731031 [0,1,0,0,0,0|2,0,1]=4 3006 B13R0.280 C=CCCCCCOCCS(=O)(=O)C 7a_100000211924_100000700193 [0,1,0,0,0,0|2,0,1]=4 3007 B13R0.280 C=CCCCCCOCCS(=O)(=O)C 7a_100011216702_100000230027 [0,1,0,0,0,0|2,0,1]=4 3008 B13R0.280 C=CCCCCCOCCS(=O)(=O)N 34a_100012334274_100000700193 [0,1,0,0,0,0|2,0,1]=4 3009 B13R0.280 C=CCCCCCOCCS(=O)(=O)[O-] 34a_100011216702_100000762736 [0,1,0,0,0,0|2,0,1]=4 3010 B13R0.280 C=CCCCCCSCCC(C)(C)O 62a_100000700193_100000702414 [0,1,0,0,0,0|2,0,1]=4 3011 B13R0.280 C=CCCCCCSCCC(C)(C)O 62a_100000702414_100000700193 [0,1,0,0,0,0|2,0,1]=4 3012 B13R0.280 C=CCCCCCSCCS(=O)(=O)C 62a_100000700193_100000230027 [0,1,0,0,0,0|2,0,1]=4 3013 B13R0.280 C=CCCCCCSCCS(=O)(=O)C 62a_100000731031_100000700193 [0,1,0,0,0,0|2,0,1]=4 3014 B13R0.280 C=CCCCCCSCCS(=O)(=O)[O-] 62a_100000700193_100000762736 [0,1,0,0,0,0|2,0,1]=4 3015 B13R0.280 C=CCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000700193 [0,1,0,0,0,0|2,0,1]=4 3016 B13R0.280 C=CCCCCNCCCC(C)(C)O 2230a_100000703577_100009888830 [0,1,0,0,0,0|2,0,1]=4 3017 B13R0.280 C=CCCCCNCCCC(C)(C)O 34a_100000703577_100009888830 [0,1,0,0,0,0|2,0,1]=4 3018 B13R0.280 C=CCCCCNCCCS(=O)(=O)C 2230a_100000703577_100000754308 [0,1,0,0,0,0|2,0,1]=4 3019 B13R0.280 C=CCCCCNCCCS(=O)(=O)C 2230a_100000742409_100011215482 [0,1,0,0,0,0|2,0,1]=4 3020 B13R0.280 C=CCCCCNCCCS(=O)(=O)C 34a_100000703577_100000754308 [0,1,0,0,0,0|2,0,1]=4 3021 B13R0.280 C=CCCCCNCCCS(=O)(=O)C 34a_100000742409_100011215482 [0,1,0,0,0,0|2,0,1]=4 3022 B13R0.280 C=CCCCCNCCCS(=O)(=O)N 2230a_100000703577_100000750626 [0,1,0,0,0,0|2,0,1]=4 3023 B13R0.280 C=CCCCCNCCCS(=O)(=O)N 34a_100000703577_100000750626 [0,1,0,0,0,0|2,0,1]=4 3024 B13R0.280 C=CCCCCNCCCS(=O)(=O)[O-] 34a_100000703577_100009813499 [0,1,0,0,0,0|2,0,1]=4 3025 B13R0.280 C=CCCCCOCCCC(C)(C)O 34a_100000766645_100009888830 [0,1,0,0,0,0|2,0,1]=4 3026 B13R0.280 C=CCCCCOCCCC(C)(C)O 7a_100000766645_100009888830 [0,1,0,0,0,0|2,0,1]=4 3027 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 34a_100000689940_100011215482 [0,1,0,0,0,0|2,0,1]=4 3028 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 34a_100000766645_100000754308 [0,1,0,0,0,0|2,0,1]=4 3029 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 7a_100000689940_100011215482 [0,1,0,0,0,0|2,0,1]=4 3030 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 7a_100000766645_100000754308 [0,1,0,0,0,0|2,0,1]=4 3031 B13R0.280 C=CCCCCOCCCS(=O)(=O)N 34a_100000766645_100000750626 [0,1,0,0,0,0|2,0,1]=4 3032 B13R0.280 C=CCCCCOCCCS(=O)(=O)N 7a_100000766645_100000750626 [0,1,0,0,0,0|2,0,1]=4 3033 B13R0.280 C=CCCCCOCCCS(=O)(=O)[O-] 34a_100000766645_100009813499 [0,1,0,0,0,0|2,0,1]=4 3034 B13R0.280 C=CCCCCSCCCC(C)(C)O 62a_100009888830_100011215482 [0,1,0,0,0,0|2,0,1]=4 3035 B13R0.280 C=CCCCCSCCCC(C)(C)O 62a_100011215482_100009888830 [0,1,0,0,0,0|2,0,1]=4 3036 B13R0.280 C=CCCCCSCCCS(=O)(=O)C 62a_100000754308_100011215482 [0,1,0,0,0,0|2,0,1]=4 3037 B13R0.280 C=CCCCCSCCCS(=O)(=O)C 62a_100011215482_100000754308 [0,1,0,0,0,0|2,0,1]=4 3038 B13R0.280 C=CCCCCSCCCS(=O)(=O)N 62a_100000750626_100011215482 [0,1,0,0,0,0|2,0,1]=4 3039 B13R0.280 C=CCCCCSCCCS(=O)(=O)N 62a_100011215482_100000750626 [0,1,0,0,0,0|2,0,1]=4 3040 B13R0.280 C=CCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100011215482 [0,1,0,0,0,0|2,0,1]=4 3041 B13R0.280 C=CCCCCSCCCS(=O)(=O)[O-] 62a_100011215482_100009813499 [0,1,0,0,0,0|2,0,1]=4 3042 B13R0.280 C=CCCNCCCCCC(C)(C)O 2230a_100015191253_100010402123 [0,1,0,0,0,0|2,0,1]=4 3043 B13R0.280 C=CCCOCCCCCC(C)(C)O 34a_100011205117_100010402123 [0,1,0,0,0,0|2,0,1]=4 3044 B13R0.280 C=CCCSCCCCCC(C)(C)O 62a_100000754431_100010402123 [0,1,0,0,0,0|2,0,1]=4 3045 B13R0.280 C=CCCSCCCCCC(C)(C)O 62a_100010402123_100000754431 [0,1,0,0,0,0|2,0,1]=4 3046 B13R0.335 C#CCCCCCCN(C)CC(=O)O 269956a_100000746989_100012276617 [0,1,0,0,0,0|1,0,2]=4 3047 B13R0.335 C#CCCCCNCC(O)CC(=O)O 269956a_100011218706_100010269958 [0,1,0,0,0,0|1,0,2]=4 3048 B13R0.335 C=CCCCCCCC(=O)CC(=C)C 1458a_100011809334_100000748629 [0,1,0,0,0,0|2,0,1]=4 3049 B13R0.335 C=CCCCCCCC(=O)CC(=C)F 1458a_100011809334_100009893438 [0,1,0,0,0,0|2,0,1]=4 3050 B13R0.335 C=CCCCCCCC(=O)CC(=O)N 1458a_100011809334_100000187820 [0,1,0,0,0,0|1,0,1]=3 3051 B13R0.335 C=CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011215473 [0,1,0,0,0,0|1,0,1]=3 3052 B13R0.335 C=CCCCCCCC(=O)CC(=O)[O-] 1458a_100011809334_100020667443 [0,1,0,0,0,0|0,0,2]=3 3053 B13R0.335 C=CCCCCCCC(=O)CC(C)O 1458a_100011809334_100011218427 [0,1,0,0,0,0|1,0,2]=4 3054 B13R0.335 C=CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215473 [0,1,0,0,0,0|1,0,2]=4 3055 B13R0.335 C=CCCCCCCC(=O)C[N+](=O)[O-] 1458a_100011809334_100000761209 [0,1,0,0,0,0|1,0,2]=4 3056 B13R0.335 C=CCCCCCCN(C)CC(=C)C 2230a_100000225649_100011215473 [0,1,0,0,0,0|3,0,0]=4 3057 B13R0.335 C=CCCCCCCN(C)CC(=C)C 269982a_100000225649_100011215473 [0,1,0,0,0,0|3,0,0]=4 3058 B13R0.335 C=CCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215473 [0,1,0,0,0,0|2,0,0]=3 3059 B13R0.335 C=CCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215473 [0,1,0,0,0,0|1,0,0]=2 3060 B13R0.335 C=CCCCCCCN(C)CC(C)O 2230a_100000227577_100011215473 [0,1,0,0,0,0|2,0,1]=4 3061 B13R0.335 C=CCCCCCCN(C)CC(C)O 269982a_100000227577_100011215473 [0,1,0,0,0,0|2,0,1]=4 3062 B13R0.335 C=CCCCCCSC(C)OC(=O)C 62a_100000700193_100009818208 [0,1,0,0,0,0|3,0,0]=4 3063 B13R0.335 C=CCCCCCSC(C)OC(=O)C 62a_100009818208_100000700193 [0,1,0,0,0,0|3,0,0]=4 3064 B13R0.335 C=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215482 [0,1,0,0,0,0|1,0,0]=2 3065 B13R0.335 CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210759 [0,1,0,0,0,0|1,0,2]=4 3066 B13R0.335 CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210757 [0,1,0,0,0,0|1,0,2]=4 3067 B13R0.335 CN(CCCCCCC#N)CC(=O)O 269956a_100000746989_100009813337 [0,1,0,0,0,0|2,0,1]=4 3068 B13R0.335 CN(CCCCCCCO)CC(=O)O 269956a_100000746989_100000760002 [0,1,0,0,0,0|2,0,1]=4 3069 B13R0.335 COCCCCCCN(C)CC(=O)O 269956a_100000746989_100011998445 [0,1,0,0,0,0|2,0,1]=4 3070 B13R0.335 COCCCCNCC(O)CC(=O)O 269956a_100011218706_100000730899 [0,1,0,0,0,0|2,0,1]=4 3071 B13R0.335 N#CCCCCNCC(O)CC(=O)O 269956a_100011218706_100011219923 [0,1,0,0,0,0|2,0,1]=4 3072 B13R0.335 O=C(O)CC(O)CNCCCCCF 269956a_100011218706_100000729378 [0,1,0,0,0,0|2,0,1]=4 3073 B13R0.335 O=C(O)CC(O)CNCCCCCO 269956a_100011218706_100000746330 [0,1,0,0,0,0|2,0,1]=4 3074 B13R0.335 O=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000139335 [0,1,0,0,0,0|2,0,0]=3 3075 B13R1.6 C=CCCCCN1CCCC(C1)O 2230a_100000211013_100011215482 [0,0,0,1,0,0|2,0,1]=4 3076 B13R1.6 C=CCCCCN1CCCC(C1)O 269982a_100000211013_100011215482 [0,0,0,1,0,0|2,0,1]=4 3077 B13R1.6 C=CCCCCN1CCNC(=O)C1 2230a_100000184651_100011215482 [0,0,0,1,0,0|3,0,0]=4 3078 B13R1.6 C=CCCCCN1CCOC(=O)C1 2230a_100000131268_100011215482 [0,0,0,1,0,0|3,0,0]=4 3079 B13R1.6 C=CCCCNC1CCCC(C1)O 2230a_100015190357_100011713584 [0,0,0,1,0,0|2,0,1]=4 3080 B13R1.6 C=CCCCNC1CCCC(C1)O 270004a_100000700776_100012613340 [0,0,0,1,0,0|2,0,1]=4 3081 B13R1.6 C=CCCCNC1CCNC(=O)C1 2230a_100016994916_100011713584 [0,0,0,1,0,0|3,0,0]=4 3082 B13R1.6 C=CCCCNC1CCNC(=O)C1 34a_100016994916_100000757094 [0,0,0,1,0,0|3,0,0]=4 3083 B13R1.6 C=CCCCOC1C=C(CCC1)C 34a_100011218613_100000757094 [0,0,0,1,0,0|3,0,0]=4 3084 B13R1.6 C=CCCCOC1CCCC(=O)C1 34a_100012613340_100000757094 [0,0,0,1,0,0|2,0,0]=3 3085 B13R1.6 C=CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000757094 [0,0,0,1,0,0|3,0,0]=4 3086 B13R1.6 C=CCCNCC1CCCC(C1)O 2230a_100011254705_100000754431 [0,0,0,1,0,0|2,0,1]=4 3087 B13R1.6 C=CCCOCC1CCCC(=O)N1 34a_200000102386_100000754431 [0,0,0,1,0,0|2,0,0]=3 3088 B13R1.6 C=CCCOCC1CCNC(=O)C1 34a_100009886756_100000754431 [0,0,0,1,0,0|3,0,0]=4 3089 B13R1.6 C=CCCOCC1COCC(=O)N1 34a_200000101122_100000754431 [0,0,0,1,0,0|3,0,0]=4 3090 B13R1.6 C=COCCOC1CCCC(=O)C1 34a_100012613340_100000039644 [0,0,0,1,0,0|3,0,0]=4 3091 B13R1.27 C=CCCCCCN1CCC(C1)O 2230a_100011215560_100000700193 [0,0,0,1,0,0|2,0,1]=4 3092 B13R1.27 C=CCCCCCN1CCC(C1)O 269982a_100011215560_100000700193 [0,0,0,1,0,0|2,0,1]=4 3093 B13R1.27 C=CCCCCCN1CNC(=O)C1 2230a_200000708111_100000700193 [0,0,0,1,0,0|3,0,0]=4 3094 B13R1.27 C=CCCCCNC1CCC(C1)O 270004a_100000703577_100012614533 [0,0,0,1,0,0|2,0,1]=4 3095 B13R1.27 C=CCCCCNC1CNC(=O)C1 2230a_100000697751_100011215482 [0,0,0,1,0,0|3,0,0]=4 3096 B13R1.27 C=CCCCCNC1COC(=O)O1 34a_100000703577_100000032252 [0,0,0,1,0,0|2,0,0]=3 3097 B13R1.27 C=CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011215482 [0,0,0,1,0,0|2,0,1]=4 3098 B13R1.27 C=CCCCCOC1CCC(=O)C1 34a_100012614533_100011215482 [0,0,0,1,0,0|2,0,0]=3 3099 B13R1.27 C=CCCCCOC1CNC(=O)C1 34a_100000690082_100011215482 [0,0,0,1,0,0|3,0,0]=4 3100 B13R1.27 C=CCCCCOC1COC(=O)O1 34a_100000766645_100000032252 [0,0,0,1,0,0|2,0,0]=3 3101 B13R1.27 C=CCCCCSC1COC(=O)O1 62a_100011215482_100000032252 [0,0,0,1,0,0|2,0,0]=3 3102 B13R1.27 C=CCCCNCC1CNC(=O)C1 2230a_100016993742_100011713584 [0,0,0,1,0,0|3,0,0]=4 3103 B13R1.27 C=CCCCNCC1CNC(=O)C1 34a_100016993742_100000757094 [0,0,0,1,0,0|3,0,0]=4 3104 B13R1.27 C=CCCCNCC1CNC(=O)O1 2230a_100000700776_100000181169 [0,0,0,1,0,0|2,0,0]=3 3105 B13R1.27 C=CCCCNCC1CNC(=O)O1 34a_100000700776_100000181169 [0,0,0,1,0,0|2,0,0]=3 3106 B13R1.27 C=CCCCNCC1COC(=O)O1 34a_100000700776_100000073702 [0,0,0,1,0,0|2,0,0]=3 3107 B13R1.27 C=CCCCNC[C@@H]1CCC(=O)N1 2230a_100000700776_100015189358 [0,0,0,1,0,0|2,0,0]=3 3108 B13R1.27 C=CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011713584 [0,0,0,1,0,0|2,0,0]=3 3109 B13R1.27 C=CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000757094 [0,0,0,1,0,0|2,0,0]=3 3110 B13R1.27 C=CCCCNC[C@H]1COC(=O)N1 2230a_100000700776_100015307671 [0,0,0,1,0,0|3,0,0]=4 3111 B13R1.27 C=CCCCNC[C@H]1COC(=O)N1 34a_100000700776_100015307671 [0,0,0,1,0,0|3,0,0]=4 3112 B13R1.27 C=CCCCOCC1CCC(=O)N1 34a_100000737831_100000757094 [0,0,0,1,0,0|2,0,0]=3 3113 B13R1.27 C=CCCCOCC1CNC(=O)C1 34a_100016041077_100000757094 [0,0,0,1,0,0|3,0,0]=4 3114 B13R1.27 C=CCCCOCC1CNC(=O)O1 34a_100000758997_100000181169 [0,0,0,1,0,0|2,0,0]=3 3115 B13R1.27 C=CCCCOCC1CNC(=O)O1 34a_100011315639_100000757094 [0,0,0,1,0,0|2,0,0]=3 3116 B13R1.27 C=CCCCOCC1CNC(=O)O1 7a_100000758997_100000181169 [0,0,0,1,0,0|2,0,0]=3 3117 B13R1.27 C=CCCCOCC1COC(=O)O1 34a_100000758997_100000073702 [0,0,0,1,0,0|2,0,0]=3 3118 B13R1.27 C=CCCCOC[C@@H]1CCC(=O)N1 7a_100000758997_100015189358 [0,0,0,1,0,0|2,0,0]=3 3119 B13R1.27 C=CCCCOC[C@H]1COC(=O)N1 34a_100000758997_100015307671 [0,0,0,1,0,0|3,0,0]=4 3120 B13R1.27 C=CCCCOC[C@H]1COC(=O)N1 7a_100000758997_100015307671 [0,0,0,1,0,0|3,0,0]=4 3121 B13R1.27 C=CCCCSCC1CNC(=O)O1 62a_100000181169_100000757094 [0,0,0,1,0,0|2,0,0]=3 3122 B13R1.27 C=CCCCSCC1CNC(=O)O1 62a_100011713584_100000181169 [0,0,0,1,0,0|2,0,0]=3 3123 B13R1.27 C=CCCCSCC1COC(=O)O1 62a_100000073702_100000757094 [0,0,0,1,0,0|2,0,0]=3 3124 B13R1.27 C=CCCCSCC1COC(=O)O1 62a_100011713584_100000073702 [0,0,0,1,0,0|2,0,0]=3 3125 B13R1.27 C=CCCCSC[C@@H]1CCC(=O)N1 62a_100011713584_100015189358 [0,0,0,1,0,0|2,0,0]=3 3126 B13R1.27 C=CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000757094 [0,0,0,1,0,0|2,0,0]=3 3127 B13R1.27 C=CCCCSC[C@H]1COC(=O)N1 62a_100011713584_100015307671 [0,0,0,1,0,0|3,0,0]=4 3128 B13R1.27 C=CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000757094 [0,0,0,1,0,0|3,0,0]=4 3129 B13R1.27 C=CCCSCCC1COS(=O)O1 62a_100000754431_100009840081 [0,0,0,1,0,0|3,0,0]=4 3130 B13R1.27 C=CCOCCOC1COC(=O)O1 34a_100000037705_100000032252 [0,0,0,1,0,0|3,0,0]=4 3131 B13R1.27 C=COCCCNC1COC(=O)O1 34a_100000210767_100000032252 [0,0,0,1,0,0|3,0,0]=4 3132 B13R1.27 C=COCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000039644 [0,0,0,1,0,0|3,0,0]=4 3133 B13R1.27 C=COCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000039644 [0,0,0,1,0,0|3,0,0]=4 3134 B13R1.27 C=COCCOCC1CCC(=O)N1 34a_100000737831_100000039644 [0,0,0,1,0,0|3,0,0]=4 3135 B13R1.27 C=COCCOCC1CNC(=O)O1 34a_100000033082_100000181169 [0,0,0,1,0,0|3,0,0]=4 3136 B13R1.27 C=COCCOCC1CNC(=O)O1 34a_100011315639_100000039644 [0,0,0,1,0,0|3,0,0]=4 3137 B13R1.27 C=COCCOCC1COC(=O)O1 34a_100000033082_100000073702 [0,0,0,1,0,0|3,0,0]=4 3138 B13R1.27 C=COCCSCC1CNC(=O)O1 62a_100000039644_100000181169 [0,0,0,1,0,0|3,0,0]=4 3139 B13R1.27 C=COCCSCC1CNC(=O)O1 62a_100000181169_100000039644 [0,0,0,1,0,0|3,0,0]=4 3140 B13R1.27 C=COCCSCC1COC(=O)O1 62a_100000039644_100000073702 [0,0,0,1,0,0|3,0,0]=4 3141 B13R1.27 C=COCCSCC1COC(=O)O1 62a_100000073702_100000039644 [0,0,0,1,0,0|3,0,0]=4 3142 B13R1.27 C=COCCSC[C@@H]1CCC(=O)N1 62a_100000039644_100015189358 [0,0,0,1,0,0|3,0,0]=4 3143 B13R1.27 C=COCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000039644 [0,0,0,1,0,0|3,0,0]=4 3144 B13R1.27 O=CCCCCSC1COC(=O)O1 62a_100000139335_100000032252 [0,0,0,1,0,0|3,0,0]=4 3145 B13R1.27 O=CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_200011292268 [0,0,0,1,0,0|3,0,0]=4 3146 B13R1.27 O=CCCCSCC1CNC(=O)O1 62a_100000181169_200011292268 [0,0,0,1,0,0|3,0,0]=4 3147 B13R1.27 O=CCCCSCC1CNC(=O)O1 62a_200011292268_100000181169 [0,0,0,1,0,0|3,0,0]=4 3148 B13R1.27 O=CCCCSCC1COC(=O)O1 62a_100000073702_200011292268 [0,0,0,1,0,0|3,0,0]=4 3149 B13R1.27 O=CCCCSCC1COC(=O)O1 62a_200011292268_100000073702 [0,0,0,1,0,0|3,0,0]=4 3150 B13R1.27 O=CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_200011292268 [0,0,0,1,0,0|3,0,0]=4 3151 B13R1.27 O=CCCCSC[C@@H]1CCC(=O)N1 62a_200011292268_100015189358 [0,0,0,1,0,0|3,0,0]=4 3152 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [0,0,0,1,0,0|1,0,2]=4 3153 B13R1.90 O=C(O)CCC1CCCCN1CF 269956a_100000694054_100015361967 [0,0,0,1,0,0|2,0,1]=4 3154 B13R1.158 CC(=O)CCCN1CCCCC1=O 1458a_100011236284_200000210301 [0,0,0,1,0,0|3,0,0]=4 3155 B13R1.158 CC(=O)CCOC1CCCCC1=O 34a_100000759926_100000754470 [0,0,0,1,0,0|3,0,0]=4 3156 B13R1.158 CC(=O)CCOC1CCCCC1=O 7a_100000759926_100000204591 [0,0,0,1,0,0|3,0,0]=4 3157 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000053229_100000204591 [0,0,0,1,0,0|3,0,0]=4 3158 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000204591_100000053229 [0,0,0,1,0,0|3,0,0]=4 3159 B13R1.158 CN1CCCCC1CNCC(=O)O 269956a_100016091260_100015185383 [0,0,0,1,0,0|2,0,1]=4 3160 B13R1.158 NC(=O)CCOC1CCCCC1=O 34a_100000757172_100000754470 [0,0,0,1,0,0|3,0,0]=4 3161 B13R1.158 NC(=O)CCOC1CCCCC1=O 34a_100011214950_100000731001 [0,0,0,1,0,0|3,0,0]=4 3162 B13R1.158 NC(=O)CCOC1CCCCC1=O 7a_100000757172_100000204591 [0,0,0,1,0,0|3,0,0]=4 3163 B13R1.158 NC(=O)CCSC1CCCCC1=O 62a_100000204591_100000744528 [0,0,0,1,0,0|3,0,0]=4 3164 B13R1.158 NC(=O)CCSC1CCCCC1=O 62a_100000744528_100000204591 [0,0,0,1,0,0|3,0,0]=4 3165 B13R1.158 NC(=O)COCC1CCCCC1=O 34a_100009861125_100000187820 [0,0,0,1,0,0|3,0,0]=4 3166 B13R1.158 NC(=O)COCC1CCCCC1=O 7a_100009861125_100000187820 [0,0,0,1,0,0|3,0,0]=4 3167 B13R1.158 O=C(O)CONC1CCCCC1=O 269956a_100000106656_100000204591 [0,0,0,1,0,0|3,0,0]=4 3168 B13R1.158 O=C([O-])COCC1CCCCC1=O 34a_100009861125_100020667443 [0,0,0,1,0,0|2,0,1]=4 3169 B13R1.158 [13CH3]C(=O)CCCN1CCCCC1=O 1458a_100011236284_200025704644 [0,0,0,1,0,0|3,0,0]=4 3170 B13R1.167 CC(=O)CCCOC1CCCC1=O 34a_100000759063_100000709159 [0,0,0,1,0,0|3,0,0]=4 3171 B13R1.167 CC(=O)CCCOC1CCCC1=O 34a_200000719330_100000685027 [0,0,0,1,0,0|3,0,0]=4 3172 B13R1.167 CC(=O)CCCOC1CCCC1=O 7a_100000759063_100000211823 [0,0,0,1,0,0|3,0,0]=4 3173 B13R1.167 CC(=O)CCCSC1CCCC1=O 62a_100000211823_100011215641 [0,0,0,1,0,0|3,0,0]=4 3174 B13R1.167 CC(=O)CCCSC1CCCC1=O 62a_100011215641_100000211823 [0,0,0,1,0,0|3,0,0]=4 3175 B13R1.167 CN1CCCC1CCNCC(=O)O 269956a_100016091260_100000005710 [0,0,0,1,0,0|2,0,1]=4 3176 B13R1.167 NC(=O)CCCNC1CCCC1=O 34a_100000739312_100000709159 [0,0,0,1,0,0|3,0,0]=4 3177 B13R1.167 NC(=O)CCCOC1CCCC1=O 34a_200000719330_100102525003 [0,0,0,1,0,0|3,0,0]=4 3178 B13R1.167 NC(=O)CCCSC1CCCC1=O 62a_100000211823_100102525003 [0,0,0,1,0,0|3,0,0]=4 3179 B13R1.167 NC(=O)CCCSC1CCCC1=O 62a_100102525003_100000211823 [0,0,0,1,0,0|3,0,0]=4 3180 B13R1.167 O=C(O)CNCCN1CCCC1=O 269956a_100016091260_100000739059 [0,0,0,1,0,0|3,0,0]=4 3181 B13R1.193 C=CCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100011713584 [0,0,0,1,0,0|2,0,1]=4 3182 B13R1.193 C=CCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000757094 [0,0,0,1,0,0|2,0,1]=4 3183 B13R1.224 C#CCN1CCCCCC1C(=O)O 269956a_100000758484_100000184674 [0,0,0,1,0,0|1,0,2]=4 3184 B13R1.224 C=CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210623 [0,0,0,1,0,0|1,0,0]=2 3185 B13R1.224 CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210207 [0,0,0,1,0,0|1,0,2]=4 3186 B13R1.224 COCN1CCCCCC1C(=O)O 269956a_100000758484_100000766300 [0,0,0,1,0,0|2,0,1]=4 3187 B13R1.224 CSCN1CCCCCC1C(=O)O 269956a_100000758484_100011218213 [0,0,0,1,0,0|2,0,1]=4 3188 B13R1.224 N#CCN1CCCCCC1C(=O)O 269956a_100000758484_100011215382 [0,0,0,1,0,0|2,0,1]=4 3189 B13R1.224 O=C(O)C1CCCCCN1CCF 269956a_100000758484_100011217306 [0,0,0,1,0,0|2,0,1]=4 3190 B13R1.224 O=C(O)C1CCCCCN1CCO 269956a_100000758484_100000211926 [0,0,0,1,0,0|2,0,1]=4 3191 B13R1.224 O=CCN1CCCCCC1C(=O)O 269956a_100000758484_200015260668 [0,0,0,1,0,0|2,0,0]=3 3192 B13R1.280 CC(=O)CCN1CCCCCC1=O 1458a_200011207554_200000210301 [0,0,0,1,0,0|3,0,0]=4 3193 B13R1.280 NC(=O)CSC1CCCCCC1=O 62a_100000243696_100000747473 [0,0,0,1,0,0|3,0,0]=4 3194 B13R1.280 NC(=O)CSC1CCCCCC1=O 62a_100000747473_100000243696 [0,0,0,1,0,0|3,0,0]=4 3195 B13R1.280 O=C(O)CNC1CCCCCC1=O 269956a_100016091260_100000243696 [0,0,0,1,0,0|2,0,0]=3 3196 B13R1.280 O=C(O)CNC1CCCCNC1=O 269956a_100016091260_100000735217 [0,0,0,1,0,0|3,0,0]=4 3197 B13R1.280 O=C([O-])CSC1CCCCCC1=O 62a_100000243696_100020667443 [0,0,0,1,0,0|2,0,1]=4 3198 B13R1.280 O=C([O-])CSC1CCCCCC1=O 62a_100020667443_100000243696 [0,0,0,1,0,0|2,0,1]=4 3199 B13R1.280 [13CH3]C(=O)CCN1CCCCCC1=O 1458a_200011207554_200025704644 [0,0,0,1,0,0|3,0,0]=4 3200 B13R1.297 CC(=O)CCCCSC1CCC1=O 62a_100000735457_100009892977 [0,0,0,1,0,0|3,0,0]=4 3201 B13R1.297 CC(=O)CCCCSC1CCC1=O 62a_100009892977_100000735457 [0,0,0,1,0,0|3,0,0]=4 3202 B13R1.297 CC(=O)CCOCCC1CCC1=O 7a_100000759926_200016118888 [0,0,0,1,0,0|3,0,0]=4 3203 B13R1.297 CC(=O)CCSCCC1CCC1=O 62a_100000053229_200016118888 [0,0,0,1,0,0|3,0,0]=4 3204 B13R1.297 CC(=O)CCSCCC1CCC1=O 62a_200016118888_100000053229 [0,0,0,1,0,0|3,0,0]=4 3205 B13R1.297 NC(=O)CCCCNC1CCC1=O 34a_100000696515_100009892977 [0,0,0,1,0,0|3,0,0]=4 3206 B13R1.297 NC(=O)CCCCOC1CCC1=O 34a_100012022536_100009892977 [0,0,0,1,0,0|3,0,0]=4 3207 B13R1.297 NC(=O)CCCCOC1CCC1=O 7a_100012022536_100009892977 [0,0,0,1,0,0|3,0,0]=4 3208 B13R1.297 NC(=O)CCOCCC1CCC1=O 7a_100000757172_200016118888 [0,0,0,1,0,0|3,0,0]=4 3209 B13R1.297 NC(=O)CCSCCC1CCC1=O 62a_100000744528_200016118888 [0,0,0,1,0,0|3,0,0]=4 3210 B13R1.297 NC(=O)CCSCCC1CCC1=O 62a_200016118888_100000744528 [0,0,0,1,0,0|3,0,0]=4 3211 B13R1.297 O=C(O)COCCNC1CCC1=O 269956a_100000700818_100009892977 [0,0,0,1,0,0|3,0,0]=4 3212 B13R1.297 O=C(O)CONCCC1CCC1=O 269956a_100000106656_200016118888 [0,0,0,1,0,0|3,0,0]=4 3213 B13R1.337 CC(=O)CCCCC1CCCCC1 1458a_200011215547_200000210301 [0,0,0,1,0,0|1,0,2]=4 3214 B13R1.337 CC(=O)CCCOC1C=CCCC1 34a_100011215024_100000685027 [0,0,0,1,0,0|2,0,0]=3 3215 B13R1.337 CC(=O)CCCOC1C=CCCC1 7a_100000759063_100000751183 [0,0,0,1,0,0|2,0,0]=3 3216 B13R1.337 CC(=O)CCCSC1C=CCCC1 62a_100000751183_100011215641 [0,0,0,1,0,0|2,0,0]=3 3217 B13R1.337 CC(=O)CCCSC1C=CCCC1 62a_100011215641_100000751183 [0,0,0,1,0,0|2,0,0]=3 3218 B13R1.337 CC(=O)NCCNC1C=CCCC1 2230a_100000209853_100000751183 [0,0,0,1,0,0|3,0,0]=4 3219 B13R1.337 CC(=O)NCCSC1C=CCCC1 62a_100000189650_100000751183 [0,0,0,1,0,0|3,0,0]=4 3220 B13R1.337 CC(=O)NCCSC1C=CCCC1 62a_100000751183_100000189650 [0,0,0,1,0,0|3,0,0]=4 3221 B13R1.337 CC(=O)OCCOC1C=CCCC1 34a_100011215024_100009814007 [0,0,0,1,0,0|3,0,0]=4 3222 B13R1.337 CC(=O)OCCSC1C=CCCC1 62a_100000751183_100009814007 [0,0,0,1,0,0|3,0,0]=4 3223 B13R1.337 CC(=O)OCCSC1C=CCCC1 62a_100009814007_100000751183 [0,0,0,1,0,0|3,0,0]=4 3224 B13R1.337 CC(O)CCCOC1C=CCCC1 34a_100011215024_200000718107 [0,0,0,1,0,0|2,0,1]=4 3225 B13R1.337 CC(O)CCCSC1C=CCCC1 62a_100000751183_200000718107 [0,0,0,1,0,0|2,0,1]=4 3226 B13R1.337 CC(O)CCCSC1C=CCCC1 62a_200000718107_100000751183 [0,0,0,1,0,0|2,0,1]=4 3227 B13R1.337 CS(=O)CCCNC1C=CCCC1 2230a_200000753449_100000751183 [0,0,0,1,0,0|3,0,0]=4 3228 B13R1.337 NC(=O)CCCOC1C=CCCC1 34a_100011215024_100102525003 [0,0,0,1,0,0|2,0,0]=3 3229 B13R1.337 NC(=O)CCCSC1C=CCCC1 62a_100000751183_100102525003 [0,0,0,1,0,0|2,0,0]=3 3230 B13R1.337 NC(=O)CCCSC1C=CCCC1 62a_100102525003_100000751183 [0,0,0,1,0,0|2,0,0]=3 3231 B13R1.337 NC(=O)NCCSC1C=CCCC1 62a_100000751183_200000034859 [0,0,0,1,0,0|3,0,0]=4 3232 B13R1.337 NC(=O)NCCSC1C=CCCC1 62a_200000034859_100000751183 [0,0,0,1,0,0|3,0,0]=4 3233 B13R1.337 NC(=O)OCCOC1C=CCCC1 34a_100011215024_200011214921 [0,0,0,1,0,0|3,0,0]=4 3234 B13R1.337 NC(=O)OCCOC1C=CCCC1 7a_100000766696_100000751183 [0,0,0,1,0,0|3,0,0]=4 3235 B13R1.337 NC(=O)OCCSC1C=CCCC1 62a_100000751183_200011214921 [0,0,0,1,0,0|3,0,0]=4 3236 B13R1.337 NC(=O)OCCSC1C=CCCC1 62a_200011214921_100000751183 [0,0,0,1,0,0|3,0,0]=4 3237 B13R1.337 O=C(O)CNCCC1CCCCC1 269956a_100016091260_100011273959 [0,0,0,1,0,0|1,0,2]=4 3238 B13R1.337 [13CH3]C(=O)CCCCC1CCCCC1 1458a_200011215547_200025704644 [0,0,0,1,0,0|1,0,2]=4 3239 B13R1.343 O=C(O)CNCCCC1CCCC1 269956a_100016091260_100011713738 [0,0,0,1,0,0|1,0,2]=4 3240 B13R1.362 C=CCCCCCCN1CC(C1)O 269982a_100000749847_100011215473 [0,0,0,1,0,0|2,0,1]=4 3241 B13R1.362 C=CCCCCCNC1CC(=C)C1 2230a_100132301982_100000700193 [0,0,0,1,0,0|3,0,0]=4 3242 B13R1.362 C=CCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000700193 [0,0,0,1,0,0|2,0,1]=4 3243 B13R1.362 C=CCCCCCSC1CC(=O)C1 62a_100009894365_100000700193 [0,0,0,1,0,0|2,0,0]=3 3244 B13R1.362 C=CCCCCNCC1CC(=C)C1 2230a_100102567296_100011215482 [0,0,0,1,0,0|3,0,0]=4 3245 B13R1.362 C=CCCCCNCC1CC(=C)C1 34a_100102567296_100011215482 [0,0,0,1,0,0|3,0,0]=4 3246 B13R1.362 C=CCCCCNCC1CC(=O)C1 2230a_100000703577_100009874392 [0,0,0,1,0,0|2,0,0]=3 3247 B13R1.362 C=CCCCCNCC1CC(C1)O 2230a_100016992100_100011215482 [0,0,0,1,0,0|2,0,1]=4 3248 B13R1.362 C=CCCCCOCC1CC(=C)C1 34a_100011011225_100011215482 [0,0,0,1,0,0|3,0,0]=4 3249 B13R1.362 C=CCCCCOCC1CC(=O)C1 34a_100000101936_100011215482 [0,0,0,1,0,0|2,0,0]=3 3250 B13R1.362 C=CCCCCOCC1CC(=O)C1 7a_100000766645_100009874392 [0,0,0,1,0,0|2,0,0]=3 3251 B13R1.362 C=CCCCCSCC1CC(=O)C1 62a_100009874392_100011215482 [0,0,0,1,0,0|2,0,0]=3 3252 B13R1.362 C=CCCCCSCC1CC(=O)C1 62a_100011215482_100009874392 [0,0,0,1,0,0|2,0,0]=3 3253 B13R1.362 C=CCOCCOCC1CC(=O)C1 7a_100000037705_100009874392 [0,0,0,1,0,0|3,0,0]=4 3254 B13R1.362 C=COCCCNCC1CC(=O)C1 2230a_100000210767_100009874392 [0,0,0,1,0,0|3,0,0]=4 3255 B13R1.362 O=CCCCCCSC1CC(=O)C1 62a_100009894365_100000139337 [0,0,0,1,0,0|3,0,0]=4 3256 B13R1.362 O=CCCCCSCC1CC(=O)C1 62a_100000139335_100009874392 [0,0,0,1,0,0|3,0,0]=4 3257 B13R1.362 O=CCCCCSCC1CC(=O)C1 62a_100009874392_100000139335 [0,0,0,1,0,0|3,0,0]=4 3258 B13R1.380 C=CCN1CCCCC1CC(=O)N 2230a_100015184752_100000210623 [0,0,0,1,0,0|2,0,0]=3 3259 B13R1.380 C=CCN1CCCCC1CC(=O)N 269982a_100015184752_100000210623 [0,0,0,1,0,0|2,0,0]=3 3260 B13R1.380 C=CCN1CCCCC1CC(=O)N 34a_100015184752_100015514636 [0,0,0,1,0,0|2,0,0]=3 3261 B13R1.380 NC(=O)CC1CCCCN1CC=O 2230a_100015184752_200015260668 [0,0,0,1,0,0|3,0,0]=4 3262 B13R1.380 NC(=O)CC1CCCCN1CC=O 269982a_100015184752_200015260668 [0,0,0,1,0,0|3,0,0]=4 3263 B13R1.380 NC(=O)CC1CCCCN1CC=O 34a_100015184752_200009817547 [0,0,0,1,0,0|3,0,0]=4 3264 B13R1.572 C#CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000688953 [0,0,0,1,0,0|1,0,2]=4 3265 B13R1.572 C#CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000184674 [0,0,0,1,0,0|1,0,2]=4 3266 B13R1.572 C/C=C/CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100102629194 [0,0,0,1,0,0|1,0,2]=4 3267 B13R1.572 C=CCCN1CCCCC1C(=O)N 2230a_100000181395_100000754431 [0,0,0,1,0,0|2,0,0]=3 3268 B13R1.572 C=CCCN1CCCCC1C(=O)N 269982a_100000181395_100000754431 [0,0,0,1,0,0|2,0,0]=3 3269 B13R1.572 C=CCCN1CCCCC1C(=O)N 34a_100000181395_100000754431 [0,0,0,1,0,0|2,0,0]=3 3270 B13R1.572 C=CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000754431 [0,0,0,1,0,0|1,0,0]=2 3271 B13R1.572 C=CCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000754431 [0,0,0,1,0,0|2,0,0]=3 3272 B13R1.572 C=CCCN1CCSCC1C(=O)O 269956a_100011346106_100000754431 [0,0,0,1,0,0|2,0,0]=3 3273 B13R1.572 C=CCCN1CSCCC1C(=O)O 269956a_100015185162_100000754431 [0,0,0,1,0,0|2,0,0]=3 3274 B13R1.572 C=CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210623 [0,0,0,1,0,0|1,0,0]=2 3275 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210211 [0,0,0,1,0,0|1,0,2]=4 3276 B13R1.572 CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210207 [0,0,0,1,0,0|1,0,2]=4 3277 B13R1.572 COCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000233755 [0,0,0,1,0,0|2,0,1]=4 3278 B13R1.572 COCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000766300 [0,0,0,1,0,0|2,0,1]=4 3279 B13R1.572 CSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000212216 [0,0,0,1,0,0|2,0,1]=4 3280 B13R1.572 CSCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011218213 [0,0,0,1,0,0|2,0,1]=4 3281 B13R1.572 N#CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215226 [0,0,0,1,0,0|2,0,1]=4 3282 B13R1.572 N#CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215382 [0,0,0,1,0,0|2,0,1]=4 3283 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCF 269956a_100009816435_100011217306 [0,0,0,1,0,0|2,0,1]=4 3284 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCO 269956a_100009816435_100000211926 [0,0,0,1,0,0|2,0,1]=4 3285 B13R1.572 O=C(O)[C@H]1CCCCN1CCCF 269956a_100000763471_100011934791 [0,0,0,1,0,0|2,0,1]=4 3286 B13R1.572 O=C(O)[C@H]1CCCCN1CCCO 269956a_100000763471_100011215043 [0,0,0,1,0,0|2,0,1]=4 3287 B13R1.572 O=CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200015260668 [0,0,0,1,0,0|2,0,0]=3 3288 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [0,0,0,1,0,0|1,0,1]=3 3289 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [0,0,0,1,0,0|1,0,1]=3 3290 B13R1.659 C=CCCCCCCOCC1CO1 34a_200011216477_102125554688 [0,0,0,1,0,0|2,0,1]=4 3291 B13R1.659 C=CCCCCCCOCC1CO1 7a_200011216477_102125554688 [0,0,0,1,0,0|2,0,1]=4 3292 B13R1.659 C=CCCCCCCOC[C@@H]1CO1 34a_100000757423_100011215473 [0,0,0,1,0,0|2,0,1]=4 3293 B13R1.659 C=CCCCCCCOC[C@@H]1CO1 7a_200011216477_100000745022 [0,0,0,1,0,0|2,0,1]=4 3294 B13R1.659 C=CCCCCCCSCC1CO1 62a_100011215473_102125554688 [0,0,0,1,0,0|2,0,1]=4 3295 B13R1.659 C=CCCCCCCSCC1CO1 62a_102125554688_100011215473 [0,0,0,1,0,0|2,0,1]=4 3296 B13R1.659 C=CCCCCCCSC[C@@H]1CO1 62a_100000745022_100011215473 [0,0,0,1,0,0|2,0,1]=4 3297 B13R1.659 C=CCCCCCCSC[C@@H]1CO1 62a_100011215473_100000745022 [0,0,0,1,0,0|2,0,1]=4 3298 B13R1.659 C=CCCCCCOCCC1CO1 34a_100011216702_100000732470 [0,0,0,1,0,0|2,0,1]=4 3299 B13R1.659 C=CCCCCCOCCC1CO1 7a_100011216702_100000732470 [0,0,0,1,0,0|2,0,1]=4 3300 B13R1.659 C=CCCCCCOCC[C@@H]1CO1 34a_100009820653_100000700193 [0,0,0,1,0,0|2,0,1]=4 3301 B13R1.659 C=CCCCCCSCCC1CO1 62a_100000700193_100000732470 [0,0,0,1,0,0|2,0,1]=4 3302 B13R1.659 C=CCCCCCSCCC1CO1 62a_100000732470_100000700193 [0,0,0,1,0,0|2,0,1]=4 3303 B13R1.659 C=CCCCCNCCCC1CO1 2230a_100000703577_100000733510 [0,0,0,1,0,0|2,0,1]=4 3304 B13R1.659 C=CCCCCNCCCC1CO1 34a_100000703577_100000733510 [0,0,0,1,0,0|2,0,1]=4 3305 B13R1.659 C=CCCCCOCCCC1CO1 34a_100000766645_100000733510 [0,0,0,1,0,0|2,0,1]=4 3306 B13R1.659 C=CCCCCOCCCC1CO1 7a_100000766645_100000733510 [0,0,0,1,0,0|2,0,1]=4 3307 B13R1.659 C=CCCCCSCCCC1CO1 62a_100000733510_100011215482 [0,0,0,1,0,0|2,0,1]=4 3308 B13R1.659 C=CCCCCSCCCC1CO1 62a_100011215482_100000733510 [0,0,0,1,0,0|2,0,1]=4 3309 B13R1.670 C#CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215417 [0,0,0,1,0,0|1,0,2]=4 3310 B13R1.670 C=CCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100011713584 [0,0,0,1,0,0|1,0,2]=4 3311 B13R1.670 C=CCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011713584 [0,0,0,1,0,0|2,0,0]=3 3312 B13R1.670 C=CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011713584 [0,0,0,1,0,0|1,0,0]=2 3313 B13R1.670 C=CCCCN1CCSC1C(=O)O 269956a_100000035718_100011713584 [0,0,0,1,0,0|2,0,0]=3 3314 B13R1.670 C=CCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011713584 [0,0,0,1,0,0|2,0,0]=3 3315 B13R1.670 C=CCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100015514636 [0,0,0,1,0,0|3,0,0]=4 3316 B13R1.670 C=CCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100015514636 [0,0,0,1,0,0|3,0,0]=4 3317 B13R1.670 C=CCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100015514636 [0,0,0,1,0,0|3,0,0]=4 3318 B13R1.670 C=CCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100015514636 [0,0,0,1,0,0|3,0,0]=4 3319 B13R1.670 C=COCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000039644 [0,0,0,1,0,0|3,0,0]=4 3320 B13R1.670 C=COCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000039644 [0,0,0,1,0,0|2,0,0]=3 3321 B13R1.670 C=COCCN1CCSC1C(=O)O 269956a_100000035718_100000039644 [0,0,0,1,0,0|3,0,0]=4 3322 B13R1.670 C=COCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000039644 [0,0,0,1,0,0|3,0,0]=4 3323 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210326 [0,0,0,1,0,0|1,0,2]=4 3324 B13R1.670 COCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000740836 [0,0,0,1,0,0|2,0,1]=4 3325 B13R1.670 N#CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000687738 [0,0,0,1,0,0|2,0,1]=4 3326 B13R1.670 NC(=O)[C@@H]1CCCN1CCCC=O 2230a_100000003125_200011292268 [0,0,0,1,0,0|3,0,0]=4 3327 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCF 269956a_100000743916_100000729493 [0,0,0,1,0,0|2,0,1]=4 3328 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCO 269956a_100000743916_100000210776 [0,0,0,1,0,0|2,0,1]=4 3329 B13R1.670 O=CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_200011292268 [0,0,0,1,0,0|2,0,0]=3 3330 B13R1.670 O=CCCCN1CCSC1C(=O)O 269956a_100000035718_200011292268 [0,0,0,1,0,0|3,0,0]=4 3331 B13R1.670 O=CCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_200011292268 [0,0,0,1,0,0|3,0,0]=4 3332 B13R1.1022 C=C(C)COC1C=CCCCCC1 34a_100000688657_100000748629 [0,0,0,1,0,0|3,0,0]=4 3333 B13R1.1022 C=C(F)COC1C=CCCCCC1 34a_100000688657_100009893438 [0,0,0,1,0,0|3,0,0]=4 3334 B13R1.1022 CC(O)COC1C=CCCCCC1 34a_100000688657_100011218427 [0,0,0,1,0,0|2,0,1]=4 3335 B13R1.1022 C[C@@H](O)COC1C=CCCCCC1 34a_100000688657_100009817552 [0,0,0,1,0,0|2,0,1]=4 3336 B13R1.1022 NC(=O)COC1C=CCCCCC1 34a_100000688657_100000187820 [0,0,0,1,0,0|2,0,0]=3 3337 B13R1.1022 O=C([O-])COC1C=CCCCCC1 34a_100000688657_100020667443 [0,0,0,1,0,0|1,0,1]=3 3338 B13R1.1022 O=[N+]([O-])COC1C=CCCCCC1 34a_100000688657_100000761209 [0,0,0,1,0,0|2,0,1]=4 3339 B13R1.1148 C=CCCCN1CCCCC(C1)O 2230a_100025706797_100011713584 [0,0,0,1,0,0|2,0,1]=4 3340 B13R1.1148 C=CCCCN1CCCCC(C1)O 269982a_100025706797_100000757094 [0,0,0,1,0,0|2,0,1]=4 3341 B13R1.1148 C=CCCCN1CCCNC(=O)C1 2230a_100015190381_100011713584 [0,0,0,1,0,0|3,0,0]=4 3342 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [0,0,0,1,0,0|1,0,2]=4 3343 B13R1.3435 C#CCCCCN1CCC1C(=O)O 269956a_100000021838_100010269958 [0,0,0,1,0,0|1,0,2]=4 3344 B13R1.3435 C=CCCCCN1CCC1C(=O)O 269956a_100000021838_100011215482 [0,0,0,1,0,0|1,0,0]=2 3345 B13R1.3435 CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210757 [0,0,0,1,0,0|1,0,2]=4 3346 B13R1.3435 COCCCCN1CCC1C(=O)O 269956a_100000021838_100000730899 [0,0,0,1,0,0|2,0,1]=4 3347 B13R1.3435 N#CCCCCN1CCC1C(=O)O 269956a_100000021838_100011219923 [0,0,0,1,0,0|2,0,1]=4 3348 B13R1.3435 O=C(O)C1CCN1CCCCCF 269956a_100000021838_100000729378 [0,0,0,1,0,0|2,0,1]=4 3349 B13R1.3435 O=C(O)C1CCN1CCCCCO 269956a_100000021838_100000746330 [0,0,0,1,0,0|2,0,1]=4 3350 B13R1.3435 O=CCCCCN1CCC1C(=O)O 269956a_100000021838_100000139335 [0,0,0,1,0,0|2,0,0]=3 3351 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [2,0,0,0,0,0|1,0,1]=4 3352 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [2,0,0,0,0,0|1,0,1]=4 3353 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [2,0,0,0,0,0|1,0,1]=4 3354 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [2,0,0,0,0,0|1,0,1]=4 3355 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [2,0,0,0,0,0|1,0,1]=4 3356 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [2,0,0,0,0,0|1,0,1]=4 3357 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [2,0,0,0,0,0|1,0,1]=4 3358 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [2,0,0,0,0,0|1,0,1]=4 3359 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [2,0,0,0,0,0|1,0,1]=4 3360 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [2,0,0,0,0,0|1,0,1]=4 3361 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [2,0,0,0,0,0|1,0,1]=4 3362 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [2,0,0,0,0,0|1,0,1]=4 3363 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [2,0,0,0,0,0|1,0,1]=4 3364 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [2,0,0,0,0,0|1,0,1]=4 3365 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [2,0,0,0,0,0|1,0,1]=4 3366 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [2,0,0,0,0,0|1,0,1]=4 3367 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [2,0,0,0,0,0|2,0,0]=4 3368 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [2,0,0,0,0,0|2,0,0]=4 3369 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [2,0,0,0,0,0|1,0,1]=4 3370 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [2,0,0,0,0,0|1,0,1]=4 3371 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [2,0,0,0,0,0|2,0,0]=4 3372 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [2,0,0,0,0,0|2,0,0]=4 3373 B10R0.71 C=CCCCCCNCC=C 2230a_100020586998_100000700193 [2,0,0,0,0,0|1,0,1]=4 3374 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [2,0,0,0,0,0|2,0,0]=4 3375 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [2,0,0,0,0,0|1,0,0]=3 3376 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [2,0,0,0,0,0|1,0,0]=3 3377 B10R0.71 C=CCCCCCOCC=C 34a_100011216702_100015514636 [2,0,0,0,0,0|1,0,1]=4 3378 B10R0.71 C=CCCCCCOCC=C 34a_200000210373_100000700193 [2,0,0,0,0,0|1,0,1]=4 3379 B10R0.71 C=CCCCCCOCC=C 7a_100011216702_100015514636 [2,0,0,0,0,0|1,0,1]=4 3380 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [2,0,0,0,0,0|1,0,0]=3 3381 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [2,0,0,0,0,0|1,0,0]=3 3382 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [2,0,0,0,0,0|2,0,0]=4 3383 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [2,0,0,0,0,0|1,0,1]=4 3384 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [2,0,0,0,0,0|1,0,1]=4 3385 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [2,0,0,0,0,0|1,0,1]=4 3386 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [2,0,0,0,0,0|2,0,0]=4 3387 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [2,0,0,0,0,0|2,0,0]=4 3388 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [2,0,0,0,0,0|2,0,0]=4 3389 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [2,0,0,0,0,0|1,0,0]=3 3390 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [2,0,0,0,0,0|1,0,0]=3 3391 B10R0.71 C=CCCCCCSCC=C 62a_100000210623_100000700193 [2,0,0,0,0,0|1,0,1]=4 3392 B10R0.71 C=CCCCCCSCC=C 62a_100000700193_100000210623 [2,0,0,0,0,0|1,0,1]=4 3393 B10R0.71 C=CCCCCCSCC=O 62a_100000700193_200015260668 [2,0,0,0,0,0|1,0,0]=3 3394 B10R0.71 C=CCCCCCSCC=O 62a_200015260668_100000700193 [2,0,0,0,0,0|1,0,0]=3 3395 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [2,0,0,0,0,0|1,0,1]=4 3396 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [2,0,0,0,0,0|1,0,1]=4 3397 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [2,0,0,0,0,0|2,0,0]=4 3398 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [2,0,0,0,0,0|2,0,0]=4 3399 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [2,0,0,0,0,0|1,0,0]=3 3400 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [2,0,0,0,0,0|1,0,0]=3 3401 B10R0.71 C=CCCCCNCCC=C 2230a_100000703577_100000754431 [2,0,0,0,0,0|1,0,1]=4 3402 B10R0.71 C=CCCCCNCCC=C 2230a_100015191253_100011215482 [2,0,0,0,0,0|1,0,1]=4 3403 B10R0.71 C=CCCCCNCCC=C 34a_100000703577_100000754431 [2,0,0,0,0,0|1,0,1]=4 3404 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [2,0,0,0,0,0|1,0,1]=4 3405 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [2,0,0,0,0,0|1,0,1]=4 3406 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [2,0,0,0,0,0|1,0,1]=4 3407 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [2,0,0,0,0,0|1,0,1]=4 3408 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [2,0,0,0,0,0|2,0,0]=4 3409 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [2,0,0,0,0,0|2,0,0]=4 3410 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [2,0,0,0,0,0|2,0,0]=4 3411 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [2,0,0,0,0,0|2,0,0]=4 3412 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [2,0,0,0,0,0|1,0,0]=3 3413 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [2,0,0,0,0,0|1,0,0]=3 3414 B10R0.71 C=CCCCCOCCC=C 34a_100000766645_100000754431 [2,0,0,0,0,0|1,0,1]=4 3415 B10R0.71 C=CCCCCOCCC=C 34a_100011205117_100011215482 [2,0,0,0,0,0|1,0,1]=4 3416 B10R0.71 C=CCCCCOCCC=C 7a_100000766645_100000754431 [2,0,0,0,0,0|1,0,1]=4 3417 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [2,0,0,0,0,0|2,0,0]=4 3418 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [2,0,0,0,0,0|1,0,1]=4 3419 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [2,0,0,0,0,0|1,0,1]=4 3420 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [2,0,0,0,0,0|1,0,1]=4 3421 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [2,0,0,0,0,0|1,0,1]=4 3422 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [2,0,0,0,0,0|2,0,0]=4 3423 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [2,0,0,0,0,0|2,0,0]=4 3424 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [2,0,0,0,0,0|2,0,0]=4 3425 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [2,0,0,0,0,0|2,0,0]=4 3426 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [2,0,0,0,0,0|2,0,0]=4 3427 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [2,0,0,0,0,0|1,0,0]=3 3428 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [2,0,0,0,0,0|1,0,0]=3 3429 B10R0.71 C=CCCCCSCCC=C 62a_100000754431_100011215482 [2,0,0,0,0,0|1,0,1]=4 3430 B10R0.71 C=CCCCCSCCC=C 62a_100011215482_100000754431 [2,0,0,0,0,0|1,0,1]=4 3431 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [2,0,0,0,0,0|1,0,1]=4 3432 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [2,0,0,0,0,0|1,0,1]=4 3433 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [2,0,0,0,0,0|2,0,0]=4 3434 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [2,0,0,0,0,0|2,0,0]=4 3435 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [2,0,0,0,0,0|1,0,0]=3 3436 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [2,0,0,0,0,0|1,0,0]=3 3437 B10R0.71 C=CCCCNCCCC=C 2230a_100000700776_100011713584 [2,0,0,0,0,0|1,0,1]=4 3438 B10R0.71 C=CCCCNCCCC=C 34a_100000700776_100000757094 [2,0,0,0,0,0|1,0,1]=4 3439 B10R0.71 C=CCCCNCCCC=O 2230a_100000700776_200011292268 [2,0,0,0,0,0|1,0,0]=3 3440 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [2,0,0,0,0,0|1,0,1]=4 3441 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [2,0,0,0,0,0|1,0,1]=4 3442 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [2,0,0,0,0,0|1,0,1]=4 3443 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [2,0,0,0,0,0|2,0,0]=4 3444 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [2,0,0,0,0,0|2,0,0]=4 3445 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [2,0,0,0,0,0|1,0,0]=3 3446 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [2,0,0,0,0,0|1,0,0]=3 3447 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [2,0,0,0,0,0|1,0,0]=3 3448 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [2,0,0,0,0,0|1,0,0]=3 3449 B10R0.71 C=CCCCOCCCC=C 34a_100000758997_100000757094 [2,0,0,0,0,0|1,0,1]=4 3450 B10R0.71 C=CCCCOCCCC=C 7a_100000758997_100000757094 [2,0,0,0,0,0|1,0,1]=4 3451 B10R0.71 C=CCCCOCCCC=O 7a_100000758997_200011292268 [2,0,0,0,0,0|1,0,0]=3 3452 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [2,0,0,0,0,0|2,0,0]=4 3453 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [2,0,0,0,0,0|1,0,1]=4 3454 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [2,0,0,0,0,0|1,0,1]=4 3455 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [2,0,0,0,0,0|1,0,1]=4 3456 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [2,0,0,0,0,0|1,0,1]=4 3457 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [2,0,0,0,0,0|2,0,0]=4 3458 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [2,0,0,0,0,0|2,0,0]=4 3459 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [2,0,0,0,0,0|2,0,0]=4 3460 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [2,0,0,0,0,0|2,0,0]=4 3461 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [2,0,0,0,0,0|2,0,0]=4 3462 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [2,0,0,0,0,0|2,0,0]=4 3463 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [2,0,0,0,0,0|2,0,0]=4 3464 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [2,0,0,0,0,0|2,0,0]=4 3465 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [2,0,0,0,0,0|1,0,0]=3 3466 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [2,0,0,0,0,0|1,0,0]=3 3467 B10R0.71 C=CCCCSCCCC=C 62a_100011713584_100000757094 [2,0,0,0,0,0|1,0,1]=4 3468 B10R0.71 C=CCCCSCCCC=O 62a_100011713584_200011292268 [2,0,0,0,0,0|1,0,0]=3 3469 B10R0.71 C=CCCCSCCCC=O 62a_200011292268_100000757094 [2,0,0,0,0,0|1,0,0]=3 3470 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [2,0,0,0,0,0|1,0,1]=4 3471 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [2,0,0,0,0,0|1,0,1]=4 3472 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [2,0,0,0,0,0|2,0,0]=4 3473 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [2,0,0,0,0,0|2,0,0]=4 3474 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [2,0,0,0,0,0|1,0,0]=3 3475 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [2,0,0,0,0,0|1,0,0]=3 3476 B10R0.71 C=CCCNCCCCC=O 2230a_100015191253_100000139335 [2,0,0,0,0,0|1,0,0]=3 3477 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [2,0,0,0,0,0|1,0,1]=4 3478 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [2,0,0,0,0,0|1,0,1]=4 3479 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [2,0,0,0,0,0|2,0,0]=4 3480 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [2,0,0,0,0,0|1,0,0]=3 3481 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [2,0,0,0,0,0|1,0,0]=3 3482 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [2,0,0,0,0,0|1,0,0]=3 3483 B10R0.71 C=CCCNCCOCCO 2230a_100000211614_100000754431 [2,0,0,0,0,0|2,0,0]=4 3484 B10R0.71 C=CCCNCCOCCO 2230a_100015191253_100011215305 [2,0,0,0,0,0|2,0,0]=4 3485 B10R0.71 C=CCCNCCOCCO 34a_100000211614_100000754431 [2,0,0,0,0,0|2,0,0]=4 3486 B10R0.71 C=CCCNCCSCCO 2230a_100011219999_100000754431 [2,0,0,0,0,0|2,0,0]=4 3487 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [2,0,0,0,0,0|2,0,0]=4 3488 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [2,0,0,0,0,0|2,0,0]=4 3489 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [2,0,0,0,0,0|1,0,1]=4 3490 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [2,0,0,0,0,0|1,0,1]=4 3491 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [2,0,0,0,0,0|1,0,1]=4 3492 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [2,0,0,0,0,0|2,0,0]=4 3493 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [2,0,0,0,0,0|2,0,0]=4 3494 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [2,0,0,0,0,0|2,0,0]=4 3495 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [2,0,0,0,0,0|2,0,0]=4 3496 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [2,0,0,0,0,0|2,0,0]=4 3497 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [2,0,0,0,0,0|2,0,0]=4 3498 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [2,0,0,0,0,0|1,0,0]=3 3499 B10R0.71 C=CCCOCCOCCO 34a_100011205117_100000692535 [2,0,0,0,0,0|2,0,0]=4 3500 B10R0.71 C=CCCSCCCCC=O 62a_100000139335_100000754431 [2,0,0,0,0,0|1,0,0]=3 3501 B10R0.71 C=CCCSCCCCC=O 62a_100000754431_100000139335 [2,0,0,0,0,0|1,0,0]=3 3502 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [2,0,0,0,0,0|1,0,1]=4 3503 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [2,0,0,0,0,0|1,0,1]=4 3504 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [2,0,0,0,0,0|2,0,0]=4 3505 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [2,0,0,0,0,0|2,0,0]=4 3506 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [2,0,0,0,0,0|1,0,0]=3 3507 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [2,0,0,0,0,0|1,0,0]=3 3508 B10R0.71 C=CCCSCCOCCO 62a_100000754431_100011215305 [2,0,0,0,0,0|2,0,0]=4 3509 B10R0.71 C=CCCSCCOCCO 62a_100011215305_100000754431 [2,0,0,0,0,0|2,0,0]=4 3510 B10R0.71 C=CCNCCCCCC=O 2230a_100020586998_100000139337 [2,0,0,0,0,0|1,0,0]=3 3511 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [2,0,0,0,0,0|1,0,1]=4 3512 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [2,0,0,0,0,0|1,0,1]=4 3513 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [2,0,0,0,0,0|2,0,0]=4 3514 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [2,0,0,0,0,0|1,0,0]=3 3515 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [2,0,0,0,0,0|1,0,0]=3 3516 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [2,0,0,0,0,0|1,0,0]=3 3517 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [2,0,0,0,0,0|2,0,0]=4 3518 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [2,0,0,0,0,0|2,0,0]=4 3519 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [2,0,0,0,0,0|1,0,1]=4 3520 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [2,0,0,0,0,0|1,0,1]=4 3521 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [2,0,0,0,0,0|1,0,1]=4 3522 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [2,0,0,0,0,0|2,0,0]=4 3523 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [2,0,0,0,0,0|2,0,0]=4 3524 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [2,0,0,0,0,0|2,0,0]=4 3525 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [2,0,0,0,0,0|2,0,0]=4 3526 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [2,0,0,0,0,0|2,0,0]=4 3527 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [2,0,0,0,0,0|2,0,0]=4 3528 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [2,0,0,0,0,0|1,0,0]=3 3529 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [2,0,0,0,0,0|2,0,0]=4 3530 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [2,0,0,0,0,0|2,0,0]=4 3531 B10R0.71 C=CCSCCCCCC=O 62a_100000139337_100000210623 [2,0,0,0,0,0|1,0,0]=3 3532 B10R0.71 C=CCSCCCCCC=O 62a_100000210623_100000139337 [2,0,0,0,0,0|1,0,0]=3 3533 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [2,0,0,0,0,0|1,0,1]=4 3534 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [2,0,0,0,0,0|1,0,1]=4 3535 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [2,0,0,0,0,0|2,0,0]=4 3536 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [2,0,0,0,0,0|2,0,0]=4 3537 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [2,0,0,0,0,0|1,0,0]=3 3538 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [2,0,0,0,0,0|1,0,0]=3 3539 B10R0.71 C=COCCCCOCC=O 34a_100000031558_200009817547 [2,0,0,0,0,0|2,0,0]=4 3540 B10R0.71 C=COCCCCOCC=O 7a_100000031558_200015260668 [2,0,0,0,0,0|2,0,0]=4 3541 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [2,0,0,0,0,0|2,0,0]=4 3542 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [2,0,0,0,0,0|2,0,0]=4 3543 B10R0.71 C=COCCCNCCCO 2230a_100000210767_100000230001 [2,0,0,0,0,0|2,0,0]=4 3544 B10R0.71 C=COCCCNCCCO 34a_100000210767_100000230001 [2,0,0,0,0,0|2,0,0]=4 3545 B10R0.71 C=COCCNCCCCO 2230a_100000750430_100000039644 [2,0,0,0,0,0|2,0,0]=4 3546 B10R0.71 C=COCCNCCCCO 34a_100000750430_100000039644 [2,0,0,0,0,0|2,0,0]=4 3547 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [2,0,0,0,0,0|2,0,0]=4 3548 B10R0.71 C=COCCSCCCC=O 62a_100000039644_200011292268 [2,0,0,0,0,0|2,0,0]=4 3549 B10R0.71 C=COCCSCCCC=O 62a_200011292268_100000039644 [2,0,0,0,0,0|2,0,0]=4 3550 B10R0.71 C=COCCSCCCCO 62a_100000039644_100000210776 [2,0,0,0,0,0|2,0,0]=4 3551 B10R0.71 C=COCCSCCCCO 62a_100000210776_100000039644 [2,0,0,0,0,0|2,0,0]=4 3552 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [2,0,0,0,0,0|1,0,1]=4 3553 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [2,0,0,0,0,0|1,0,1]=4 3554 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [2,0,0,0,0,0|1,0,1]=4 3555 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [2,0,0,0,0,0|1,0,1]=4 3556 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [2,0,0,0,0,0|1,0,1]=4 3557 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [2,0,0,0,0,0|1,0,1]=4 3558 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [2,0,0,0,0,0|1,0,1]=4 3559 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [2,0,0,0,0,0|1,0,1]=4 3560 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [2,0,0,0,0,0|1,0,1]=4 3561 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [2,0,0,0,0,0|1,0,1]=4 3562 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [2,0,0,0,0,0|1,0,1]=4 3563 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [2,0,0,0,0,0|1,0,1]=4 3564 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [2,0,0,0,0,0|1,0,1]=4 3565 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [2,0,0,0,0,0|1,0,1]=4 3566 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [2,0,0,0,0,0|1,0,1]=4 3567 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [2,0,0,0,0,0|1,0,1]=4 3568 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [2,0,0,0,0,0|1,0,1]=4 3569 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [2,0,0,0,0,0|1,0,1]=4 3570 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [2,0,0,0,0,0|1,0,1]=4 3571 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [2,0,0,0,0,0|1,0,1]=4 3572 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [2,0,0,0,0,0|1,0,1]=4 3573 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [2,0,0,0,0,0|1,0,1]=4 3574 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [2,0,0,0,0,0|1,0,1]=4 3575 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [2,0,0,0,0,0|1,0,1]=4 3576 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [2,0,0,0,0,0|2,0,0]=4 3577 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [2,0,0,0,0,0|2,0,0]=4 3578 B10R0.71 O=CCCCCCSCC=O 62a_100000139337_200015260668 [2,0,0,0,0,0|2,0,0]=4 3579 B10R0.71 O=CCCCCCSCC=O 62a_200015260668_100000139337 [2,0,0,0,0,0|2,0,0]=4 3580 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [2,0,0,0,0,0|2,0,0]=4 3581 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [2,0,0,0,0,0|2,0,0]=4 3582 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [2,0,0,0,0,0|2,0,0]=4 3583 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [2,0,0,0,0,0|2,0,0]=4 3584 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [2,0,0,0,0,0|2,0,0]=4 3585 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [2,0,0,0,0,0|2,0,0]=4 3586 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [2,0,0,0,0,0|2,0,0]=4 3587 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [2,0,0,0,0,0|2,0,0]=4 3588 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [2,0,0,0,0,0|2,0,0]=4 3589 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [2,0,0,0,0,0|2,0,0]=4 3590 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [2,0,0,0,0,0|2,0,0]=4 3591 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [2,0,0,0,0,0|2,0,0]=4 3592 B10R0.71 O=CCCCSCCCC=O 62a_200011292268_200011292268 [2,0,0,0,0,0|2,0,0]=4 3593 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [2,0,0,0,0,0|2,0,0]=4 3594 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [2,0,0,0,0,0|2,0,0]=4 3595 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [2,0,0,0,0,0|2,0,0]=4 3596 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [2,0,0,0,0,0|2,0,0]=4 3597 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [2,0,0,0,0,0|2,0,0]=4 3598 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [2,0,0,0,0,0|2,0,0]=4 3599 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [2,0,0,0,0,0|2,0,0]=4 3600 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [2,0,0,0,0,0|2,0,0]=4 3601 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [2,0,0,0,0,0|2,0,0]=4 3602 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [2,0,0,0,0,0|2,0,0]=4 3603 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [2,0,0,0,0,0|2,0,0]=4 3604 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [2,0,0,0,0,0|2,0,0]=4 3605 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [2,0,0,0,0,0|2,0,0]=4 3606 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [2,0,0,0,0,0|2,0,0]=4 3607 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [2,0,0,0,0,0|2,0,0]=4 3608 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [2,0,0,0,0,0|2,0,0]=4 3609 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [2,0,0,0,0,0|1,0,1]=4 3610 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [2,0,0,0,0,0|1,0,1]=4 3611 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [2,0,0,0,0,0|1,0,1]=4 3612 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [2,0,0,0,0,0|1,0,1]=4 3613 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [2,0,0,0,0,0|1,0,0]=3 3614 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [2,0,0,0,0,0|1,0,0]=3 3615 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [2,0,0,0,0,0|1,0,0]=3 3616 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000703577_100000747473 [2,0,0,0,0,0|2,0,0]=4 3617 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000711301_100011215482 [2,0,0,0,0,0|2,0,0]=4 3618 B10R0.4 C=CCCCCNCC(=O)N 34a_100000703577_100000187820 [2,0,0,0,0,0|2,0,0]=4 3619 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [2,0,0,0,0,0|1,0,0]=3 3620 B10R0.4 C=CCCCCNCC(=O)[O-] 34a_100000703577_100020667443 [2,0,0,0,0,0|1,0,1]=4 3621 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [2,0,0,0,0,0|2,0,0]=4 3622 B10R0.4 C=CCCCCOCC(=O)N 34a_100000766645_100000187820 [2,0,0,0,0,0|2,0,0]=4 3623 B10R0.4 C=CCCCCOCC(=O)N 7a_100000766645_100000187820 [2,0,0,0,0,0|2,0,0]=4 3624 B10R0.4 C=CCCCCOCC(=O)[O-] 34a_100000766645_100020667443 [2,0,0,0,0,0|1,0,1]=4 3625 B10R0.4 C=CCCCCSCC(=O)N 62a_100000747473_100011215482 [2,0,0,0,0,0|2,0,0]=4 3626 B10R0.4 C=CCCCCSCC(=O)N 62a_100011215482_100000747473 [2,0,0,0,0,0|2,0,0]=4 3627 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100011215482_100020667443 [2,0,0,0,0,0|1,0,1]=4 3628 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100020667443_100011215482 [2,0,0,0,0,0|1,0,1]=4 3629 B10R0.4 C=CCCCNCCC(=O)N 2230a_100000700776_100000744528 [2,0,0,0,0,0|2,0,0]=4 3630 B10R0.4 C=CCCCNCCC(=O)N 34a_100000700776_100000731001 [2,0,0,0,0,0|2,0,0]=4 3631 B10R0.4 C=CCCCNOCC(=O)O 269956a_100000106656_100011713584 [2,0,0,0,0,0|2,0,0]=4 3632 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [2,0,0,0,0,0|2,0,0]=4 3633 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [2,0,0,0,0,0|2,0,0]=4 3634 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [2,0,0,0,0,0|2,0,0]=4 3635 B10R0.4 C=CCCCOCCC(=O)N 34a_100000757172_100000757094 [2,0,0,0,0,0|2,0,0]=4 3636 B10R0.4 C=CCCCOCCC(=O)N 34a_100000758997_100000731001 [2,0,0,0,0,0|2,0,0]=4 3637 B10R0.4 C=CCCCOCCC(=O)N 7a_100000757172_100000757094 [2,0,0,0,0,0|2,0,0]=4 3638 B10R0.4 C=CCCCOCCC(=O)N 7a_100000758997_100000744528 [2,0,0,0,0,0|2,0,0]=4 3639 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [2,0,0,0,0,0|2,0,0]=4 3640 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [2,0,0,0,0,0|2,0,0]=4 3641 B10R0.4 C=CCCCSCCC(=O)N 62a_100000744528_100000757094 [2,0,0,0,0,0|2,0,0]=4 3642 B10R0.4 C=CCCCSCCC(=O)N 62a_100011713584_100000744528 [2,0,0,0,0,0|2,0,0]=4 3643 B10R0.4 C=CCCNCCCC(=O)N 34a_100000739312_100000754431 [2,0,0,0,0,0|2,0,0]=4 3644 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [2,0,0,0,0,0|2,0,0]=4 3645 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [2,0,0,0,0,0|2,0,0]=4 3646 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [2,0,0,0,0,0|2,0,0]=4 3647 B10R0.4 C=CCCOCCCC(=O)N 34a_100011205117_100102525003 [2,0,0,0,0,0|2,0,0]=4 3648 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [2,0,0,0,0,0|2,0,0]=4 3649 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [2,0,0,0,0,0|2,0,0]=4 3650 B10R0.4 C=CCCSCCCC(=O)N 62a_100000754431_100102525003 [2,0,0,0,0,0|2,0,0]=4 3651 B10R0.4 C=CCCSCCCC(=O)N 62a_100102525003_100000754431 [2,0,0,0,0,0|2,0,0]=4 3652 B10R0.4 C=CCNCCCCC(=O)N 34a_100000696515_100015514636 [2,0,0,0,0,0|2,0,0]=4 3653 B10R0.4 C=CCNCCOCC(=O)O 269956a_100000700818_100000210623 [2,0,0,0,0,0|2,0,0]=4 3654 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [2,0,0,0,0,0|2,0,0]=4 3655 B10R0.4 C=CCOCCCCC(=O)N 34a_100012022536_100015514636 [2,0,0,0,0,0|2,0,0]=4 3656 B10R0.4 C=CCOCCCCC(=O)N 7a_100012022536_100015514636 [2,0,0,0,0,0|2,0,0]=4 3657 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [2,0,0,0,0,0|2,0,0]=4 3658 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [2,0,0,0,0,0|2,0,0]=4 3659 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [2,0,0,0,0,0|2,0,0]=4 3660 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [2,0,0,0,0,0|2,0,0]=4 3661 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [2,0,0,0,0,0|1,0,0]=3 3662 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [2,0,0,0,0,0|1,0,0]=3 3663 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [2,0,0,0,0,0|1,0,0]=3 3664 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 3665 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 3666 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 3667 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [2,0,0,0,0,0|2,0,0]=4 3668 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [2,0,0,0,0,0|2,0,0]=4 3669 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [2,0,0,0,0,0|2,0,0]=4 3670 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [2,0,0,0,0,0|1,0,0]=3 3671 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [2,0,0,0,0,0|2,0,0]=4 3672 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [2,0,0,0,0,0|2,0,0]=4 3673 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [2,0,0,0,0,0|2,0,0]=4 3674 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [2,0,0,0,0,0|1,0,1]=4 3675 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [2,0,0,0,0,0|2,0,0]=4 3676 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [2,0,0,0,0,0|2,0,0]=4 3677 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [2,0,0,0,0,0|1,0,1]=4 3678 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [2,0,0,0,0,0|1,0,1]=4 3679 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [2,0,0,0,0,0|2,0,0]=4 3680 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [2,0,0,0,0,0|2,0,0]=4 3681 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [2,0,0,0,0,0|2,0,0]=4 3682 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [2,0,0,0,0,0|2,0,0]=4 3683 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [2,0,0,0,0,0|2,0,0]=4 3684 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [2,0,0,0,0,0|2,0,0]=4 3685 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [2,0,0,0,0,0|2,0,0]=4 3686 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [2,0,0,0,0,0|2,0,0]=4 3687 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [2,0,0,0,0,0|2,0,0]=4 3688 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [2,0,0,0,0,0|2,0,0]=4 3689 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [2,0,0,0,0,0|2,0,0]=4 3690 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [2,0,0,0,0,0|2,0,0]=4 3691 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [2,0,0,0,0,0|2,0,0]=4 3692 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [2,0,0,0,0,0|2,0,0]=4 3693 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [2,0,0,0,0,0|2,0,0]=4 3694 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [2,0,0,0,0,0|2,0,0]=4 3695 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [2,0,0,0,0,0|2,0,0]=4 3696 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [2,0,0,0,0,0|2,0,0]=4 3697 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [2,0,0,0,0,0|2,0,0]=4 3698 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [2,0,0,0,0,0|2,0,0]=4 3699 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [2,0,0,0,0,0|2,0,0]=4 3700 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [2,0,0,0,0,0|2,0,0]=4 3701 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [2,0,0,0,0,0|2,0,0]=4 3702 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [2,0,0,0,0,0|2,0,0]=4 3703 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [2,0,0,0,0,0|2,0,0]=4 3704 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [2,0,0,0,0,0|2,0,0]=4 3705 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [2,0,0,0,0,0|2,0,0]=4 3706 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [2,0,0,0,0,0|2,0,0]=4 3707 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [2,0,0,0,0,0|2,0,0]=4 3708 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [2,0,0,0,0,0|2,0,0]=4 3709 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [2,0,0,0,0,0|2,0,0]=4 3710 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [2,0,0,0,0,0|2,0,0]=4 3711 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [2,0,0,0,0,0|2,0,0]=4 3712 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [2,0,0,0,0,0|2,0,0]=4 3713 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [2,0,0,0,0,0|2,0,0]=4 3714 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [2,0,0,0,0,0|2,0,0]=4 3715 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [2,0,0,0,0,0|2,0,0]=4 3716 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [2,0,0,0,0,0|2,0,0]=4 3717 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [2,0,0,0,0,0|2,0,0]=4 3718 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [2,0,0,0,0,0|1,0,1]=4 3719 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [2,0,0,0,0,0|2,0,0]=4 3720 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [2,0,0,0,0,0|2,0,0]=4 3721 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [2,0,0,0,0,0|2,0,0]=4 3722 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [2,0,0,0,0,0|2,0,0]=4 3723 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [2,0,0,0,0,0|2,0,0]=4 3724 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [2,0,0,0,0,0|2,0,0]=4 3725 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [2,0,0,0,0,0|2,0,0]=4 3726 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [2,0,0,0,0,0|2,0,0]=4 3727 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [2,0,0,0,0,0|2,0,0]=4 3728 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [1,1,0,0,0,0|0,0,2]=4 3729 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [1,1,0,0,0,0|0,0,2]=4 3730 B12R0.1 C=CCC(C)COCCCCC=O 7a_100009832082_100000139335 [1,1,0,0,0,0|1,0,0]=3 3731 B12R0.1 C=CCC(C)COCCCCCO 34a_100009832082_100000746330 [1,1,0,0,0,0|1,0,1]=4 3732 B12R0.1 C=CCC(C)COCCCCCO 7a_100009832082_100000746330 [1,1,0,0,0,0|1,0,1]=4 3733 B12R0.1 C=CCCCCCCC(=O)CC=C 1458a_100000210193_100011215473 [1,1,0,0,0,0|1,0,1]=4 3734 B12R0.1 C=CCCCCCCC(=O)CC=C 1458a_100011809334_100000210623 [1,1,0,0,0,0|1,0,1]=4 3735 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [1,1,0,0,0,0|0,0,2]=4 3736 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [1,1,0,0,0,0|0,0,2]=4 3737 B12R0.1 C=CCCCCCCN(C)CC=C 2230a_100000225617_100011215473 [1,1,0,0,0,0|2,0,0]=4 3738 B12R0.1 C=CCCCCCCN(C)CC=C 269982a_100000225617_100011215473 [1,1,0,0,0,0|2,0,0]=4 3739 B12R0.1 C=CCCCCCCN(C)CCO 2230a_100000210263_100011215473 [1,1,0,0,0,0|1,0,1]=4 3740 B12R0.1 C=CCCCCCCN(C)CCO 269982a_100000210263_100011215473 [1,1,0,0,0,0|1,0,1]=4 3741 B12R0.1 C=CCCCCCN[C@H](C)CCO 2230a_100000706166_100000700193 [1,1,0,0,0,0|1,0,1]=4 3742 B12R0.1 C=CCCCCCN[C@H](C)CCO 34a_100000706166_100000700193 [1,1,0,0,0,0|1,0,1]=4 3743 B12R0.1 C=CCCCCCOC(C)CCO 34a_100011216702_100009893172 [1,1,0,0,0,0|1,0,1]=4 3744 B12R0.1 C=CCCCCCOC(C)CCO 7a_100011216702_100009893172 [1,1,0,0,0,0|1,0,1]=4 3745 B12R0.1 C=CCCCCCO[C@H](C)CC=C 34a_100000731007_100000700193 [1,1,0,0,0,0|2,0,0]=4 3746 B12R0.1 C=CCCCCCO[C@H](C)CC=C 7a_100000731007_100000700193 [1,1,0,0,0,0|2,0,0]=4 3747 B12R0.1 C=CCCCCCSC(C)CCO 62a_100000700193_100009893172 [1,1,0,0,0,0|1,0,1]=4 3748 B12R0.1 C=CCCCCCSC(C)CCO 62a_100009893172_100000700193 [1,1,0,0,0,0|1,0,1]=4 3749 B12R0.1 C=CCCCCOCC(C)CC=C 34a_100009832082_100011215482 [1,1,0,0,0,0|2,0,0]=4 3750 B12R0.1 C=CCCCCOCC(C)CC=C 7a_100009832082_100011215482 [1,1,0,0,0,0|2,0,0]=4 3751 B12R0.1 C=CCCCCOC[C@H](N)CC=C 34a_100020615467_100011215482 [1,1,0,0,0,0|2,0,0]=4 3752 B12R0.1 C=CCN(C)CCCCCCCO 2230a_100000225617_100000760002 [1,1,0,0,0,0|1,0,1]=4 3753 B12R0.1 C=CCN(C)CCCCCCCO 269982a_100000225617_100000760002 [1,1,0,0,0,0|1,0,1]=4 3754 B12R0.1 C=CC[C@@H](C)OCCCCCC=O 7a_100000731007_100000139337 [1,1,0,0,0,0|1,0,0]=3 3755 B12R0.1 C=CC[C@@H](C)OCCCCCCO 34a_100000731007_100000766143 [1,1,0,0,0,0|1,0,1]=4 3756 B12R0.1 C=CC[C@@H](C)OCCCCCCO 7a_100000731007_100000766143 [1,1,0,0,0,0|1,0,1]=4 3757 B12R0.1 C=CC[C@@H](N)COCCCCCO 34a_100020615467_100000746330 [1,1,0,0,0,0|1,0,1]=4 3758 B12R0.5 C#CCCCCCCCNCC=C 2230a_100020586998_100153394163 [1,1,0,0,0,0|1,0,1]=4 3759 B12R0.5 C#CCCCCCCCOCC=C 34a_100000054614_100015514636 [1,1,0,0,0,0|1,0,1]=4 3760 B12R0.5 C#CCCCCCCCOCC=C 34a_200000210373_100153394163 [1,1,0,0,0,0|1,0,1]=4 3761 B12R0.5 C#CCCCCCCCOCC=C 7a_100000054614_100015514636 [1,1,0,0,0,0|1,0,1]=4 3762 B12R0.5 C#CCCCCCCCOCC=O 34a_100000054614_200009817547 [1,1,0,0,0,0|0,0,2]=4 3763 B12R0.5 C#CCCCCCCCOCC=O 7a_100000054614_200015260668 [1,1,0,0,0,0|0,0,2]=4 3764 B12R0.5 C#CCCCCCCCSCC=C 62a_100000210623_100153394163 [1,1,0,0,0,0|1,0,1]=4 3765 B12R0.5 C#CCCCCCCCSCC=C 62a_100153394163_100000210623 [1,1,0,0,0,0|1,0,1]=4 3766 B12R0.5 C#CCCCCCCCSCC=O 62a_100153394163_200015260668 [1,1,0,0,0,0|0,0,2]=4 3767 B12R0.5 C#CCCCCCCCSCC=O 62a_200015260668_100153394163 [1,1,0,0,0,0|0,0,2]=4 3768 B12R0.5 C#CCCCCCCNCCC=C 2230a_100015191253_100012276617 [1,1,0,0,0,0|1,0,1]=4 3769 B12R0.5 C#CCCCCCCOCCC=C 34a_100011205117_100012276617 [1,1,0,0,0,0|1,0,1]=4 3770 B12R0.5 C#CCCCCCCOCCC=C 34a_100011217361_100000754431 [1,1,0,0,0,0|1,0,1]=4 3771 B12R0.5 C#CCCCCCCOCCC=C 7a_100011217361_100000754431 [1,1,0,0,0,0|1,0,1]=4 3772 B12R0.5 C#CCCCCCCSCCC=C 62a_100000754431_100012276617 [1,1,0,0,0,0|1,0,1]=4 3773 B12R0.5 C#CCCCCCCSCCC=C 62a_100012276617_100000754431 [1,1,0,0,0,0|1,0,1]=4 3774 B12R0.5 C#CCCCCCNCCCC=C 2230a_100000700776_100012094781 [1,1,0,0,0,0|1,0,1]=4 3775 B12R0.5 C#CCCCCCNCCCC=C 34a_100000700776_100012094781 [1,1,0,0,0,0|1,0,1]=4 3776 B12R0.5 C#CCCCCCOCCCC=C 34a_100000758997_100012094781 [1,1,0,0,0,0|1,0,1]=4 3777 B12R0.5 C#CCCCCCOCCCC=C 34a_100000766912_100000757094 [1,1,0,0,0,0|1,0,1]=4 3778 B12R0.5 C#CCCCCCOCCCC=C 7a_100000758997_100012094781 [1,1,0,0,0,0|1,0,1]=4 3779 B12R0.5 C#CCCCCCOCCCC=C 7a_100000766912_100000757094 [1,1,0,0,0,0|1,0,1]=4 3780 B12R0.5 C#CCCCCCOCCCC=O 7a_100000766912_200011292268 [1,1,0,0,0,0|0,0,2]=4 3781 B12R0.5 C#CCCCCCSCCCC=C 62a_100011713584_100012094781 [1,1,0,0,0,0|1,0,1]=4 3782 B12R0.5 C#CCCCCCSCCCC=C 62a_100012094781_100000757094 [1,1,0,0,0,0|1,0,1]=4 3783 B12R0.5 C#CCCCCCSCCCC=O 62a_100012094781_200011292268 [1,1,0,0,0,0|0,0,2]=4 3784 B12R0.5 C#CCCCCCSCCCC=O 62a_200011292268_100012094781 [1,1,0,0,0,0|0,0,2]=4 3785 B12R0.5 C#CCCCCNCCCCC=C 2230a_100000703577_100010269958 [1,1,0,0,0,0|1,0,1]=4 3786 B12R0.5 C#CCCCCNCCCCC=C 2230a_100000706060_100011215482 [1,1,0,0,0,0|1,0,1]=4 3787 B12R0.5 C#CCCCCNCCCCC=C 34a_100000703577_100010269958 [1,1,0,0,0,0|1,0,1]=4 3788 B12R0.5 C#CCCCCNCCCCC=C 34a_100000706060_100011215482 [1,1,0,0,0,0|1,0,1]=4 3789 B12R0.5 C#CCCCCNCCCCC=O 2230a_100000706060_100000139335 [1,1,0,0,0,0|0,0,2]=4 3790 B12R0.5 C#CCCCCOCCCCC=C 34a_100000766645_100010269958 [1,1,0,0,0,0|1,0,1]=4 3791 B12R0.5 C#CCCCCOCCCCC=C 34a_100000766709_100011215482 [1,1,0,0,0,0|1,0,1]=4 3792 B12R0.5 C#CCCCCOCCCCC=C 7a_100000766645_100010269958 [1,1,0,0,0,0|1,0,1]=4 3793 B12R0.5 C#CCCCCOCCCCC=C 7a_100000766709_100011215482 [1,1,0,0,0,0|1,0,1]=4 3794 B12R0.5 C#CCCCCOCCCCC=O 7a_100000766709_100000139335 [1,1,0,0,0,0|0,0,2]=4 3795 B12R0.5 C#CCCCCSCCCCC=C 62a_100010269958_100011215482 [1,1,0,0,0,0|1,0,1]=4 3796 B12R0.5 C#CCCCCSCCCCC=C 62a_100011215482_100010269958 [1,1,0,0,0,0|1,0,1]=4 3797 B12R0.5 C#CCCCCSCCCCC=O 62a_100000139335_100010269958 [1,1,0,0,0,0|0,0,2]=4 3798 B12R0.5 C#CCCCCSCCCCC=O 62a_100010269958_100000139335 [1,1,0,0,0,0|0,0,2]=4 3799 B12R0.5 C#CCCCNCCCCCC=C 34a_100000718082_100000700193 [1,1,0,0,0,0|1,0,1]=4 3800 B12R0.5 C#CCCCOCCCCCC=C 34a_100000215630_100000700193 [1,1,0,0,0,0|1,0,1]=4 3801 B12R0.5 C#CCCCOCCCCCC=C 34a_100011216702_100000695029 [1,1,0,0,0,0|1,0,1]=4 3802 B12R0.5 C#CCCCOCCCCCC=C 7a_100000215630_100000700193 [1,1,0,0,0,0|1,0,1]=4 3803 B12R0.5 C#CCCCOCCCCCC=C 7a_100011216702_100011215417 [1,1,0,0,0,0|1,0,1]=4 3804 B12R0.5 C#CCCCOCCCCCC=O 7a_100000215630_100000139337 [1,1,0,0,0,0|0,0,2]=4 3805 B12R0.5 C#CCCCSCCCCCC=C 62a_100000700193_100011215417 [1,1,0,0,0,0|1,0,1]=4 3806 B12R0.5 C#CCCCSCCCCCC=C 62a_100011215417_100000700193 [1,1,0,0,0,0|1,0,1]=4 3807 B12R0.5 C#CCCCSCCCCCC=O 62a_100000139337_100011215417 [1,1,0,0,0,0|0,0,2]=4 3808 B12R0.5 C#CCCCSCCCCCC=O 62a_100011215417_100000139337 [1,1,0,0,0,0|0,0,2]=4 3809 B12R0.5 C#CCCNCCCCCCC=C 34a_100000755551_100011215473 [1,1,0,0,0,0|1,0,1]=4 3810 B12R0.5 C#CCCOCCCCCCC=C 34a_100011215631_100011215473 [1,1,0,0,0,0|1,0,1]=4 3811 B12R0.5 C#CCCOCCCCCCC=C 34a_200011216477_100000688953 [1,1,0,0,0,0|1,0,1]=4 3812 B12R0.5 C#CCCOCCCCCCC=C 7a_200011216477_100000688953 [1,1,0,0,0,0|1,0,1]=4 3813 B12R0.5 C#CCCSCCCCCCC=C 62a_100000688953_100011215473 [1,1,0,0,0,0|1,0,1]=4 3814 B12R0.5 C#CCCSCCCCCCC=C 62a_100011215473_100000688953 [1,1,0,0,0,0|1,0,1]=4 3815 B12R0.5 C#CCNCCCCCCCC=C 34a_100000212058_100012355270 [1,1,0,0,0,0|1,0,1]=4 3816 B12R0.5 C#CCOCCCCCCCC=C 34a_100000210247_100012355270 [1,1,0,0,0,0|1,0,1]=4 3817 B12R0.5 C#CCOCCCCCCCC=C 34a_100000730831_100000184674 [1,1,0,0,0,0|1,0,1]=4 3818 B12R0.5 C#CCOCCCCCCCC=C 7a_100000730831_100000038162 [1,1,0,0,0,0|1,0,1]=4 3819 B12R0.5 C#CCSCCCCCCCC=C 62a_100000038162_100012355270 [1,1,0,0,0,0|1,0,1]=4 3820 B12R0.5 C/C=C/CCOCCCCCCO 34a_100016278192_100000766143 [1,1,0,0,0,0|1,0,1]=4 3821 B12R0.5 C/C=C/CNCCCCCCCO 34a_100011996573_100102629194 [1,1,0,0,0,0|1,0,1]=4 3822 B12R0.5 C/C=C/COCCCCCCCO 34a_100016270725_100000760002 [1,1,0,0,0,0|1,0,1]=4 3823 B12R0.5 C/C=C/CSCCCCCCCO 62a_100000760002_100102629194 [1,1,0,0,0,0|1,0,1]=4 3824 B12R0.5 C/C=C/CSCCCCCCCO 62a_100102629194_100000760002 [1,1,0,0,0,0|1,0,1]=4 3825 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [1,1,0,0,0,0|1,0,1]=4 3826 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [1,1,0,0,0,0|1,0,1]=4 3827 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [1,1,0,0,0,0|1,0,1]=4 3828 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [1,1,0,0,0,0|1,0,1]=4 3829 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [1,1,0,0,0,0|1,0,1]=4 3830 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [1,1,0,0,0,0|1,0,1]=4 3831 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [1,1,0,0,0,0|1,0,1]=4 3832 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [1,1,0,0,0,0|0,0,1]=3 3833 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [1,1,0,0,0,0|0,0,1]=3 3834 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [1,1,0,0,0,0|0,0,1]=3 3835 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [1,1,0,0,0,0|0,0,1]=3 3836 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [1,1,0,0,0,0|0,0,1]=3 3837 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [1,1,0,0,0,0|0,1,1]=4 3838 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [1,1,0,0,0,0|0,1,1]=4 3839 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [1,1,0,0,0,0|0,1,1]=4 3840 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [1,1,0,0,0,0|0,1,1]=4 3841 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [1,1,0,0,0,0|1,0,1]=4 3842 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [1,1,0,0,0,0|1,0,1]=4 3843 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [1,1,0,0,0,0|1,0,1]=4 3844 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [1,1,0,0,0,0|1,0,1]=4 3845 B12R0.5 C=CCCCCCCCCOCF 34a_100011215194_100015361967 [1,1,0,0,0,0|1,0,1]=4 3846 B12R0.5 C=CCCCCCCCCOCF 7a_100011215194_100015361967 [1,1,0,0,0,0|1,0,1]=4 3847 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [1,1,0,0,0,0|1,0,1]=4 3848 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [1,1,0,0,0,0|1,0,1]=4 3849 B12R0.5 C=CCCCCCCCCSCF 62a_100011933949_100015361967 [1,1,0,0,0,0|1,0,1]=4 3850 B12R0.5 C=CCCCCCCCCSCF 62a_100015361967_100011933949 [1,1,0,0,0,0|1,0,1]=4 3851 B12R0.5 C=CCCCCCCCNCC=C 2230a_100020586998_100012355270 [1,1,0,0,0,0|1,0,0]=3 3852 B12R0.5 C=CCCCCCCCNCCF 34a_100000724931_100012355270 [1,1,0,0,0,0|1,0,1]=4 3853 B12R0.5 C=CCCCCCCCNCCO 2230a_100016997473_100012355270 [1,1,0,0,0,0|0,0,1]=3 3854 B12R0.5 C=CCCCCCCCNCCO 34a_100016990907_100012355270 [1,1,0,0,0,0|0,0,1]=3 3855 B12R0.5 C=CCCCCCCCOCC#N 7a_100000730831_100011215382 [1,1,0,0,0,0|1,0,1]=4 3856 B12R0.5 C=CCCCCCCCOCC=C 34a_100000730831_100015514636 [1,1,0,0,0,0|1,0,0]=3 3857 B12R0.5 C=CCCCCCCCOCC=C 34a_200000210373_100012355270 [1,1,0,0,0,0|1,0,0]=3 3858 B12R0.5 C=CCCCCCCCOCC=C 7a_100000730831_100015514636 [1,1,0,0,0,0|1,0,0]=3 3859 B12R0.5 C=CCCCCCCCOCC=O 34a_100000730831_200009817547 [1,1,0,0,0,0|0,0,0]=2 3860 B12R0.5 C=CCCCCCCCOCC=O 7a_100000730831_200015260668 [1,1,0,0,0,0|0,0,0]=2 3861 B12R0.5 C=CCCCCCCCOCCBr 34a_100000211926_100012355270 [1,1,0,0,0,0|1,0,1]=4 3862 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [1,1,0,0,0,0|1,0,1]=4 3863 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [1,1,0,0,0,0|1,0,1]=4 3864 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [1,1,0,0,0,0|1,0,1]=4 3865 B12R0.5 C=CCCCCCCCOCCF 34a_100000730831_100011217306 [1,1,0,0,0,0|1,0,1]=4 3866 B12R0.5 C=CCCCCCCCOCCF 7a_100000730831_100011217306 [1,1,0,0,0,0|1,0,1]=4 3867 B12R0.5 C=CCCCCCCCOCCN 34a_100000210304_100012355270 [1,1,0,0,0,0|1,0,1]=4 3868 B12R0.5 C=CCCCCCCCOCCO 34a_100000730831_100000211926 [1,1,0,0,0,0|0,0,1]=3 3869 B12R0.5 C=CCCCCCCCOCCO 7a_100000730831_100000211926 [1,1,0,0,0,0|0,0,1]=3 3870 B12R0.5 C=CCCCCCCCOCSC 34a_100000730831_100011218213 [1,1,0,0,0,0|2,0,0]=4 3871 B12R0.5 C=CCCCCCCCSCC#N 62a_100011215382_100012355270 [1,1,0,0,0,0|1,0,1]=4 3872 B12R0.5 C=CCCCCCCCSCC#N 62a_100012355270_100011215382 [1,1,0,0,0,0|1,0,1]=4 3873 B12R0.5 C=CCCCCCCCSCC=C 62a_100000210623_100012355270 [1,1,0,0,0,0|1,0,0]=3 3874 B12R0.5 C=CCCCCCCCSCC=C 62a_100012355270_100000210623 [1,1,0,0,0,0|1,0,0]=3 3875 B12R0.5 C=CCCCCCCCSCC=O 62a_100012355270_200015260668 [1,1,0,0,0,0|0,0,0]=2 3876 B12R0.5 C=CCCCCCCCSCC=O 62a_200015260668_100012355270 [1,1,0,0,0,0|0,0,0]=2 3877 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [1,1,0,0,0,0|1,0,1]=4 3878 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [1,1,0,0,0,0|1,0,1]=4 3879 B12R0.5 C=CCCCCCCCSCCF 62a_100011217306_100012355270 [1,1,0,0,0,0|1,0,1]=4 3880 B12R0.5 C=CCCCCCCCSCCF 62a_100012355270_100011217306 [1,1,0,0,0,0|1,0,1]=4 3881 B12R0.5 C=CCCCCCCCSCCO 62a_100000211926_100012355270 [1,1,0,0,0,0|0,0,1]=3 3882 B12R0.5 C=CCCCCCCCSCCO 62a_100012355270_100000211926 [1,1,0,0,0,0|0,0,1]=3 3883 B12R0.5 C=CCCCCCCCSCOC 62a_100000766300_100012355270 [1,1,0,0,0,0|1,0,1]=4 3884 B12R0.5 C=CCCCCCCCSCOC 62a_100012355270_100000766300 [1,1,0,0,0,0|1,0,1]=4 3885 B12R0.5 C=CCCCCCCCSCSC 62a_100011218213_100012355270 [1,1,0,0,0,0|2,0,0]=4 3886 B12R0.5 C=CCCCCCCCSCSC 62a_100012355270_100011218213 [1,1,0,0,0,0|2,0,0]=4 3887 B12R0.5 C=CCCCCCCNCCC=C 2230a_100015191253_100011215473 [1,1,0,0,0,0|1,0,0]=3 3888 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [1,1,0,0,0,0|1,0,1]=4 3889 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [1,1,0,0,0,0|1,0,1]=4 3890 B12R0.5 C=CCCCCCCNCCCF 2230a_100015189416_100011215473 [1,1,0,0,0,0|1,0,1]=4 3891 B12R0.5 C=CCCCCCCNCCCF 34a_100015189416_100011215473 [1,1,0,0,0,0|1,0,1]=4 3892 B12R0.5 C=CCCCCCCNCCOC 2230a_100000209980_100011215473 [1,1,0,0,0,0|1,0,1]=4 3893 B12R0.5 C=CCCCCCCNCCSC 2230a_100020590264_100011215473 [1,1,0,0,0,0|2,0,0]=4 3894 B12R0.5 C=CCCCCCCOC/C=C/C 34a_100016270725_100011215473 [1,1,0,0,0,0|1,0,1]=4 3895 B12R0.5 C=CCCCCCCOC/C=C/C 34a_200011216477_100102629194 [1,1,0,0,0,0|1,0,1]=4 3896 B12R0.5 C=CCCCCCCOC/C=C/C 7a_200011216477_100102629194 [1,1,0,0,0,0|1,0,1]=4 3897 B12R0.5 C=CCCCCCCOCC=CC 34a_200011216477_100000070051 [1,1,0,0,0,0|1,0,1]=4 3898 B12R0.5 C=CCCCCCCOCC=CC 7a_200011216477_100000070051 [1,1,0,0,0,0|1,0,1]=4 3899 B12R0.5 C=CCCCCCCOCCC#N 7a_200011216477_100000184422 [1,1,0,0,0,0|1,0,1]=4 3900 B12R0.5 C=CCCCCCCOCCC=C 34a_100011205117_100011215473 [1,1,0,0,0,0|1,0,0]=3 3901 B12R0.5 C=CCCCCCCOCCC=C 34a_200011216477_100000754431 [1,1,0,0,0,0|1,0,0]=3 3902 B12R0.5 C=CCCCCCCOCCC=C 7a_200011216477_100000754431 [1,1,0,0,0,0|1,0,0]=3 3903 B12R0.5 C=CCCCCCCOCCCBr 34a_100011217188_100011215473 [1,1,0,0,0,0|1,0,1]=4 3904 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [1,1,0,0,0,0|1,0,1]=4 3905 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [1,1,0,0,0,0|1,0,1]=4 3906 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [1,1,0,0,0,0|1,0,1]=4 3907 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [1,1,0,0,0,0|1,0,1]=4 3908 B12R0.5 C=CCCCCCCOCCCCl 34a_100000230001_100011215473 [1,1,0,0,0,0|1,0,1]=4 3909 B12R0.5 C=CCCCCCCOCCCF 34a_100000759539_100011215473 [1,1,0,0,0,0|1,0,1]=4 3910 B12R0.5 C=CCCCCCCOCCCF 34a_200011216477_100011934791 [1,1,0,0,0,0|1,0,1]=4 3911 B12R0.5 C=CCCCCCCOCCCF 7a_200011216477_100011934791 [1,1,0,0,0,0|1,0,1]=4 3912 B12R0.5 C=CCCCCCCOCCCN 34a_100000182051_100011215473 [1,1,0,0,0,0|1,0,1]=4 3913 B12R0.5 C=CCCCCCCOCCCO 34a_200011216477_100000230001 [1,1,0,0,0,0|0,0,1]=3 3914 B12R0.5 C=CCCCCCCOCCCO 7a_200011216477_100011215043 [1,1,0,0,0,0|0,0,1]=3 3915 B12R0.5 C=CCCCCCCOCCOC 34a_100000210237_100011215473 [1,1,0,0,0,0|1,0,1]=4 3916 B12R0.5 C=CCCCCCCOCCOC 34a_200011216477_100011201679 [1,1,0,0,0,0|1,0,1]=4 3917 B12R0.5 C=CCCCCCCOCCOC 7a_200011216477_100000233755 [1,1,0,0,0,0|1,0,1]=4 3918 B12R0.5 C=CCCCCCCOCCON 34a_100000700252_100011215473 [1,1,0,0,0,0|1,0,1]=4 3919 B12R0.5 C=CCCCCCCOCCSC 34a_100000230434_100011215473 [1,1,0,0,0,0|2,0,0]=4 3920 B12R0.5 C=CCCCCCCOCCSC 34a_200011216477_100000212216 [1,1,0,0,0,0|2,0,0]=4 3921 B12R0.5 C=CCCCCCCOCCSC 7a_100000230434_100011215473 [1,1,0,0,0,0|2,0,0]=4 3922 B12R0.5 C=CCCCCCCOCCSC 7a_200011216477_100000212216 [1,1,0,0,0,0|2,0,0]=4 3923 B12R0.5 C=CCCCCCCSC/C=C/C 62a_100011215473_100102629194 [1,1,0,0,0,0|1,0,1]=4 3924 B12R0.5 C=CCCCCCCSC/C=C/C 62a_100102629194_100011215473 [1,1,0,0,0,0|1,0,1]=4 3925 B12R0.5 C=CCCCCCCSCC=CC 62a_100000070051_100011215473 [1,1,0,0,0,0|1,0,1]=4 3926 B12R0.5 C=CCCCCCCSCC=CC 62a_100011215473_100000070051 [1,1,0,0,0,0|1,0,1]=4 3927 B12R0.5 C=CCCCCCCSCCC#N 62a_100011215226_100011215473 [1,1,0,0,0,0|1,0,1]=4 3928 B12R0.5 C=CCCCCCCSCCC#N 62a_100011215473_100011215226 [1,1,0,0,0,0|1,0,1]=4 3929 B12R0.5 C=CCCCCCCSCCC=C 62a_100000754431_100011215473 [1,1,0,0,0,0|1,0,0]=3 3930 B12R0.5 C=CCCCCCCSCCC=C 62a_100011215473_100000754431 [1,1,0,0,0,0|1,0,0]=3 3931 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [1,1,0,0,0,0|1,0,1]=4 3932 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [1,1,0,0,0,0|1,0,1]=4 3933 B12R0.5 C=CCCCCCCSCCCF 62a_100011215473_100011934791 [1,1,0,0,0,0|1,0,1]=4 3934 B12R0.5 C=CCCCCCCSCCCF 62a_100011934791_100011215473 [1,1,0,0,0,0|1,0,1]=4 3935 B12R0.5 C=CCCCCCCSCCCO 62a_100011215043_100011215473 [1,1,0,0,0,0|0,0,1]=3 3936 B12R0.5 C=CCCCCCCSCCCO 62a_100011215473_100011215043 [1,1,0,0,0,0|0,0,1]=3 3937 B12R0.5 C=CCCCCCCSCCOC 62a_100000233755_100011215473 [1,1,0,0,0,0|1,0,1]=4 3938 B12R0.5 C=CCCCCCCSCCOC 62a_100011215473_100000233755 [1,1,0,0,0,0|1,0,1]=4 3939 B12R0.5 C=CCCCCCCSCCSC 62a_100000212216_100011215473 [1,1,0,0,0,0|2,0,0]=4 3940 B12R0.5 C=CCCCCCCSCCSC 62a_100011215473_100000751147 [1,1,0,0,0,0|2,0,0]=4 3941 B12R0.5 C=CCCCCCNCCCC=C 2230a_100000700776_100000700193 [1,1,0,0,0,0|1,0,0]=3 3942 B12R0.5 C=CCCCCCNCCCC=C 34a_100000700776_100000700193 [1,1,0,0,0,0|1,0,0]=3 3943 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [1,1,0,0,0,0|1,0,1]=4 3944 B12R0.5 C=CCCCCCNCCCCO 2230a_100000750430_100000700193 [1,1,0,0,0,0|0,0,1]=3 3945 B12R0.5 C=CCCCCCNCCCCO 34a_100000750430_100000700193 [1,1,0,0,0,0|0,0,1]=3 3946 B12R0.5 C=CCCCCCNCCCOC 34a_100150723488_100000700193 [1,1,0,0,0,0|1,0,1]=4 3947 B12R0.5 C=CCCCCCNCCCSC 2230a_100000749238_100000700193 [1,1,0,0,0,0|2,0,0]=4 3948 B12R0.5 C=CCCCCCOCC/C=C/C 34a_100016278192_100000700193 [1,1,0,0,0,0|1,0,1]=4 3949 B12R0.5 C=CCCCCCOCCCC#N 7a_100011216702_100000687738 [1,1,0,0,0,0|1,0,1]=4 3950 B12R0.5 C=CCCCCCOCCCC=C 34a_100000758997_100000700193 [1,1,0,0,0,0|1,0,0]=3 3951 B12R0.5 C=CCCCCCOCCCC=C 34a_100011216702_100000757094 [1,1,0,0,0,0|1,0,0]=3 3952 B12R0.5 C=CCCCCCOCCCC=C 7a_100000758997_100000700193 [1,1,0,0,0,0|1,0,0]=3 3953 B12R0.5 C=CCCCCCOCCCC=C 7a_100011216702_100000757094 [1,1,0,0,0,0|1,0,0]=3 3954 B12R0.5 C=CCCCCCOCCCC=O 7a_100011216702_200011292268 [1,1,0,0,0,0|0,0,0]=2 3955 B12R0.5 C=CCCCCCOCCCCBr 34a_100011216708_100000700193 [1,1,0,0,0,0|1,0,1]=4 3956 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [1,1,0,0,0,0|1,0,1]=4 3957 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [1,1,0,0,0,0|1,0,1]=4 3958 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [1,1,0,0,0,0|1,0,1]=4 3959 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [1,1,0,0,0,0|1,0,1]=4 3960 B12R0.5 C=CCCCCCOCCCCCl 34a_100000210776_100000700193 [1,1,0,0,0,0|1,0,1]=4 3961 B12R0.5 C=CCCCCCOCCCCCl 7a_100000210776_100000700193 [1,1,0,0,0,0|1,0,1]=4 3962 B12R0.5 C=CCCCCCOCCCCF 34a_100011216702_100000729493 [1,1,0,0,0,0|1,0,1]=4 3963 B12R0.5 C=CCCCCCOCCCCF 34a_100011995726_100000700193 [1,1,0,0,0,0|1,0,1]=4 3964 B12R0.5 C=CCCCCCOCCCCF 7a_100011216702_100000729493 [1,1,0,0,0,0|1,0,1]=4 3965 B12R0.5 C=CCCCCCOCCCCF 7a_100011995726_100000700193 [1,1,0,0,0,0|1,0,1]=4 3966 B12R0.5 C=CCCCCCOCCCCI 34a_200012148704_100000700193 [1,1,0,0,0,0|1,0,1]=4 3967 B12R0.5 C=CCCCCCOCCCCN 34a_100000750430_100000700193 [1,1,0,0,0,0|1,0,1]=4 3968 B12R0.5 C=CCCCCCOCCCCO 34a_100011216702_100011216708 [1,1,0,0,0,0|0,0,1]=3 3969 B12R0.5 C=CCCCCCOCCCCO 7a_100011216702_100000210776 [1,1,0,0,0,0|0,0,1]=3 3970 B12R0.5 C=CCCCCCOCCCNC 34a_100000213112_100000700193 [1,1,0,0,0,0|2,0,0]=4 3971 B12R0.5 C=CCCCCCOCCCOC 34a_100000740835_100000700193 [1,1,0,0,0,0|1,0,1]=4 3972 B12R0.5 C=CCCCCCOCCCOC 34a_100011216702_100000740836 [1,1,0,0,0,0|1,0,1]=4 3973 B12R0.5 C=CCCCCCOCCCOC 7a_100011216702_100000740836 [1,1,0,0,0,0|1,0,1]=4 3974 B12R0.5 C=CCCCCCOCCCSC 34a_100000690336_100000700193 [1,1,0,0,0,0|2,0,0]=4 3975 B12R0.5 C=CCCCCCOCCCSC 7a_100000690336_100000700193 [1,1,0,0,0,0|2,0,0]=4 3976 B12R0.5 C=CCCCCCOCCOC=C 34a_100000033082_100000700193 [1,1,0,0,0,0|2,0,0]=4 3977 B12R0.5 C=CCCCCCOCCOC=C 34a_100011216702_100000039644 [1,1,0,0,0,0|2,0,0]=4 3978 B12R0.5 C=CCCCCCOCCOC=C 7a_100011216702_100000039644 [1,1,0,0,0,0|2,0,0]=4 3979 B12R0.5 C=CCCCCCSCCCC#N 62a_100000687738_100000700193 [1,1,0,0,0,0|1,0,1]=4 3980 B12R0.5 C=CCCCCCSCCCC#N 62a_100000700193_100000687738 [1,1,0,0,0,0|1,0,1]=4 3981 B12R0.5 C=CCCCCCSCCCC=C 62a_100000700193_100000757094 [1,1,0,0,0,0|1,0,0]=3 3982 B12R0.5 C=CCCCCCSCCCC=C 62a_100011713584_100000700193 [1,1,0,0,0,0|1,0,0]=3 3983 B12R0.5 C=CCCCCCSCCCC=O 62a_100000700193_200011292268 [1,1,0,0,0,0|0,0,0]=2 3984 B12R0.5 C=CCCCCCSCCCC=O 62a_200011292268_100000700193 [1,1,0,0,0,0|0,0,0]=2 3985 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [1,1,0,0,0,0|1,0,1]=4 3986 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [1,1,0,0,0,0|1,0,1]=4 3987 B12R0.5 C=CCCCCCSCCCCF 62a_100000700193_100000729493 [1,1,0,0,0,0|1,0,1]=4 3988 B12R0.5 C=CCCCCCSCCCCF 62a_100000729493_100000700193 [1,1,0,0,0,0|1,0,1]=4 3989 B12R0.5 C=CCCCCCSCCCCO 62a_100000210776_100000700193 [1,1,0,0,0,0|0,0,1]=3 3990 B12R0.5 C=CCCCCCSCCCCO 62a_100000700193_100000210776 [1,1,0,0,0,0|0,0,1]=3 3991 B12R0.5 C=CCCCCCSCCCOC 62a_100000700193_100000709357 [1,1,0,0,0,0|1,0,1]=4 3992 B12R0.5 C=CCCCCCSCCCOC 62a_100000709357_100000700193 [1,1,0,0,0,0|1,0,1]=4 3993 B12R0.5 C=CCCCCCSCCOC=C 62a_100000039644_100000700193 [1,1,0,0,0,0|2,0,0]=4 3994 B12R0.5 C=CCCCCCSCCOC=C 62a_100000700193_100000039644 [1,1,0,0,0,0|2,0,0]=4 3995 B12R0.5 C=CCCCCNCCCCC#N 2230a_100000703577_100000211819 [1,1,0,0,0,0|1,0,1]=4 3996 B12R0.5 C=CCCCCNCCCCC=C 2230a_100000703577_100011215482 [1,1,0,0,0,0|1,0,0]=3 3997 B12R0.5 C=CCCCCNCCCCC=C 34a_100000703577_100011215482 [1,1,0,0,0,0|1,0,0]=3 3998 B12R0.5 C=CCCCCNCCCCC=O 2230a_100000703577_100000139335 [1,1,0,0,0,0|0,0,0]=2 3999 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [1,1,0,0,0,0|1,0,1]=4 4000 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [1,1,0,0,0,0|1,0,1]=4 4001 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [1,1,0,0,0,0|1,0,1]=4 4002 B12R0.5 C=CCCCCNCCCCCF 2230a_100000703577_100000729378 [1,1,0,0,0,0|1,0,1]=4 4003 B12R0.5 C=CCCCCNCCCCCF 34a_100000703577_100000729378 [1,1,0,0,0,0|1,0,1]=4 4004 B12R0.5 C=CCCCCNCCCCCO 2230a_100000703577_100000746330 [1,1,0,0,0,0|0,0,1]=3 4005 B12R0.5 C=CCCCCNCCCCCO 2230a_100000762737_100011215482 [1,1,0,0,0,0|0,0,1]=3 4006 B12R0.5 C=CCCCCNCCCCCO 34a_100000703577_100000746330 [1,1,0,0,0,0|0,0,1]=3 4007 B12R0.5 C=CCCCCNCCCCCO 34a_100000762737_100011215482 [1,1,0,0,0,0|0,0,1]=3 4008 B12R0.5 C=CCCCCNCCCCOC 2230a_100000703577_100000730899 [1,1,0,0,0,0|1,0,1]=4 4009 B12R0.5 C=CCCCCNCCCCOC 34a_100000703577_100000755781 [1,1,0,0,0,0|1,0,1]=4 4010 B12R0.5 C=CCCCCNCCCOC=C 2230a_100000210767_100011215482 [1,1,0,0,0,0|2,0,0]=4 4011 B12R0.5 C=CCCCCNCCCOC=C 34a_100000210767_100011215482 [1,1,0,0,0,0|2,0,0]=4 4012 B12R0.5 C=CCCCCNCCOCCO 2230a_100000211614_100011215482 [1,1,0,0,0,0|1,0,1]=4 4013 B12R0.5 C=CCCCCNCCOCCO 2230a_100000703577_100011215305 [1,1,0,0,0,0|1,0,1]=4 4014 B12R0.5 C=CCCCCNCCOCCO 34a_100000211614_100011215482 [1,1,0,0,0,0|1,0,1]=4 4015 B12R0.5 C=CCCCCNCCOCCO 34a_100000703577_100000692535 [1,1,0,0,0,0|1,0,1]=4 4016 B12R0.5 C=CCCCCNCCSCCO 2230a_100011219999_100011215482 [1,1,0,0,0,0|1,0,1]=4 4017 B12R0.5 C=CCCCCOCCCC=CC 34a_100020645299_100011215482 [1,1,0,0,0,0|1,0,1]=4 4018 B12R0.5 C=CCCCCOCCCCC#N 7a_100000766645_100000211819 [1,1,0,0,0,0|1,0,1]=4 4019 B12R0.5 C=CCCCCOCCCCC=C 34a_100000766645_100011215482 [1,1,0,0,0,0|1,0,0]=3 4020 B12R0.5 C=CCCCCOCCCCC=C 7a_100000766645_100011215482 [1,1,0,0,0,0|1,0,0]=3 4021 B12R0.5 C=CCCCCOCCCCC=O 7a_100000766645_100000139335 [1,1,0,0,0,0|0,0,0]=2 4022 B12R0.5 C=CCCCCOCCCCCBr 34a_100000746331_100011215482 [1,1,0,0,0,0|1,0,1]=4 4023 B12R0.5 C=CCCCCOCCCCCBr 7a_100000746331_100011215482 [1,1,0,0,0,0|1,0,1]=4 4024 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [1,1,0,0,0,0|1,0,1]=4 4025 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [1,1,0,0,0,0|1,0,1]=4 4026 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [1,1,0,0,0,0|1,0,1]=4 4027 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [1,1,0,0,0,0|1,0,1]=4 4028 B12R0.5 C=CCCCCOCCCCCCl 34a_100000746330_100011215482 [1,1,0,0,0,0|1,0,1]=4 4029 B12R0.5 C=CCCCCOCCCCCCl 7a_100000746330_100011215482 [1,1,0,0,0,0|1,0,1]=4 4030 B12R0.5 C=CCCCCOCCCCCF 34a_100000766645_100000729378 [1,1,0,0,0,0|1,0,1]=4 4031 B12R0.5 C=CCCCCOCCCCCF 7a_100000766645_100000729378 [1,1,0,0,0,0|1,0,1]=4 4032 B12R0.5 C=CCCCCOCCCCCI 34a_200012148887_100011215482 [1,1,0,0,0,0|1,0,1]=4 4033 B12R0.5 C=CCCCCOCCCCCI 7a_200012148887_100011215482 [1,1,0,0,0,0|1,0,1]=4 4034 B12R0.5 C=CCCCCOCCCCCN 34a_100000762737_100011215482 [1,1,0,0,0,0|1,0,1]=4 4035 B12R0.5 C=CCCCCOCCCCCO 34a_100000766645_100000746330 [1,1,0,0,0,0|0,0,1]=3 4036 B12R0.5 C=CCCCCOCCCCCO 7a_100000766645_100000746330 [1,1,0,0,0,0|0,0,1]=3 4037 B12R0.5 C=CCCCCOCCCCOC 34a_100000740925_100011215482 [1,1,0,0,0,0|1,0,1]=4 4038 B12R0.5 C=CCCCCOCCCCOC 34a_100000766645_100000755781 [1,1,0,0,0,0|1,0,1]=4 4039 B12R0.5 C=CCCCCOCCCCOC 7a_100000766645_100000730899 [1,1,0,0,0,0|1,0,1]=4 4040 B12R0.5 C=CCCCCOCCCCSC 34a_100011217163_100011215482 [1,1,0,0,0,0|2,0,0]=4 4041 B12R0.5 C=CCCCCOCCCCSC 7a_100011217163_100011215482 [1,1,0,0,0,0|2,0,0]=4 4042 B12R0.5 C=CCCCCOCCOCC=C 34a_100000037705_100011215482 [1,1,0,0,0,0|2,0,0]=4 4043 B12R0.5 C=CCCCCOCCOCC=C 7a_100000037705_100011215482 [1,1,0,0,0,0|2,0,0]=4 4044 B12R0.5 C=CCCCCOCCOCCO 34a_100000766645_100000692535 [1,1,0,0,0,0|1,0,1]=4 4045 B12R0.5 C=CCCCCOCCOCCO 7a_100000766645_100011215305 [1,1,0,0,0,0|1,0,1]=4 4046 B12R0.5 C=CCCCCSCCCCC#N 62a_100011215482_100000211819 [1,1,0,0,0,0|1,0,1]=4 4047 B12R0.5 C=CCCCCSCCCCC#N 62a_100011219923_100011215482 [1,1,0,0,0,0|1,0,1]=4 4048 B12R0.5 C=CCCCCSCCCCC=C 62a_100011215482_100011215482 [1,1,0,0,0,0|1,0,0]=3 4049 B12R0.5 C=CCCCCSCCCCC=O 62a_100000139335_100011215482 [1,1,0,0,0,0|0,0,0]=2 4050 B12R0.5 C=CCCCCSCCCCC=O 62a_100011215482_100000139335 [1,1,0,0,0,0|0,0,0]=2 4051 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [1,1,0,0,0,0|1,0,1]=4 4052 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [1,1,0,0,0,0|1,0,1]=4 4053 B12R0.5 C=CCCCCSCCCCCF 62a_100000729378_100011215482 [1,1,0,0,0,0|1,0,1]=4 4054 B12R0.5 C=CCCCCSCCCCCF 62a_100011215482_100000729378 [1,1,0,0,0,0|1,0,1]=4 4055 B12R0.5 C=CCCCCSCCCCCO 62a_100000746330_100011215482 [1,1,0,0,0,0|0,0,1]=3 4056 B12R0.5 C=CCCCCSCCCCCO 62a_100011215482_100000746330 [1,1,0,0,0,0|0,0,1]=3 4057 B12R0.5 C=CCCCCSCCCCOC 62a_100000730899_100011215482 [1,1,0,0,0,0|1,0,1]=4 4058 B12R0.5 C=CCCCCSCCCCOC 62a_100011215482_100000730899 [1,1,0,0,0,0|1,0,1]=4 4059 B12R0.5 C=CCCCCSCCOCCO 62a_100011215305_100011215482 [1,1,0,0,0,0|1,0,1]=4 4060 B12R0.5 C=CCCCCSCCOCCO 62a_100011215482_100011215305 [1,1,0,0,0,0|1,0,1]=4 4061 B12R0.5 C=CCCCNCCCCCC#N 2230a_100000700776_100009813376 [1,1,0,0,0,0|1,0,1]=4 4062 B12R0.5 C=CCCCNCCCCCC=O 2230a_100000700776_100000139337 [1,1,0,0,0,0|0,0,0]=2 4063 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [1,1,0,0,0,0|1,0,1]=4 4064 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [1,1,0,0,0,0|1,0,1]=4 4065 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [1,1,0,0,0,0|1,0,1]=4 4066 B12R0.5 C=CCCCNCCCCCCF 2230a_100000700776_100015922095 [1,1,0,0,0,0|1,0,1]=4 4067 B12R0.5 C=CCCCNCCCCCCF 34a_100000700776_100015922095 [1,1,0,0,0,0|1,0,1]=4 4068 B12R0.5 C=CCCCNCCCCCCO 2230a_100000686447_100011713584 [1,1,0,0,0,0|0,0,1]=3 4069 B12R0.5 C=CCCCNCCCCCCO 2230a_100000700776_100000766143 [1,1,0,0,0,0|0,0,1]=3 4070 B12R0.5 C=CCCCNCCCCCCO 34a_100000686447_100000757094 [1,1,0,0,0,0|0,0,1]=3 4071 B12R0.5 C=CCCCNCCCCCCO 34a_100000700776_100000766143 [1,1,0,0,0,0|0,0,1]=3 4072 B12R0.5 C=CCCCNCCCCCOC 2230a_100000747528_100011713584 [1,1,0,0,0,0|1,0,1]=4 4073 B12R0.5 C=CCCCNCCCCCOC 34a_100000747528_100000757094 [1,1,0,0,0,0|1,0,1]=4 4074 B12R0.5 C=CCCCOCCCCCC#N 7a_100000758997_100009813376 [1,1,0,0,0,0|1,0,1]=4 4075 B12R0.5 C=CCCCOCCCCCC=O 7a_100000758997_100000139337 [1,1,0,0,0,0|0,0,0]=2 4076 B12R0.5 C=CCCCOCCCCCCBr 34a_100011215345_100000757094 [1,1,0,0,0,0|1,0,1]=4 4077 B12R0.5 C=CCCCOCCCCCCBr 7a_100011215345_100000757094 [1,1,0,0,0,0|1,0,1]=4 4078 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [1,1,0,0,0,0|1,0,1]=4 4079 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [1,1,0,0,0,0|1,0,1]=4 4080 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [1,1,0,0,0,0|1,0,1]=4 4081 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [1,1,0,0,0,0|1,0,1]=4 4082 B12R0.5 C=CCCCOCCCCCCCl 34a_100000766143_100000757094 [1,1,0,0,0,0|1,0,1]=4 4083 B12R0.5 C=CCCCOCCCCCCCl 7a_100000766143_100000757094 [1,1,0,0,0,0|1,0,1]=4 4084 B12R0.5 C=CCCCOCCCCCCF 34a_100000732779_100000757094 [1,1,0,0,0,0|1,0,1]=4 4085 B12R0.5 C=CCCCOCCCCCCF 34a_100000758997_100015922095 [1,1,0,0,0,0|1,0,1]=4 4086 B12R0.5 C=CCCCOCCCCCCF 7a_100000732779_100000757094 [1,1,0,0,0,0|1,0,1]=4 4087 B12R0.5 C=CCCCOCCCCCCF 7a_100000758997_100015922095 [1,1,0,0,0,0|1,0,1]=4 4088 B12R0.5 C=CCCCOCCCCCCN 34a_100000686447_100000757094 [1,1,0,0,0,0|1,0,1]=4 4089 B12R0.5 C=CCCCOCCCCCCO 34a_100000758997_100000766143 [1,1,0,0,0,0|0,0,1]=3 4090 B12R0.5 C=CCCCOCCCCCCO 7a_100000758997_100000766143 [1,1,0,0,0,0|0,0,1]=3 4091 B12R0.5 C=CCCCOCCCCCNC 34a_100000722520_100000757094 [1,1,0,0,0,0|2,0,0]=4 4092 B12R0.5 C=CCCCOCCCCOC=C 34a_100000031558_100000757094 [1,1,0,0,0,0|2,0,0]=4 4093 B12R0.5 C=CCCCOCCCCOC=C 7a_100000031558_100000757094 [1,1,0,0,0,0|2,0,0]=4 4094 B12R0.5 C=CCCCSCCCCCC#N 62a_100009813376_100000757094 [1,1,0,0,0,0|1,0,1]=4 4095 B12R0.5 C=CCCCSCCCCCC#N 62a_100011713584_100009813376 [1,1,0,0,0,0|1,0,1]=4 4096 B12R0.5 C=CCCCSCCCCCC=O 62a_100000139337_100000757094 [1,1,0,0,0,0|0,0,0]=2 4097 B12R0.5 C=CCCCSCCCCCC=O 62a_100011713584_100000139337 [1,1,0,0,0,0|0,0,0]=2 4098 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [1,1,0,0,0,0|1,0,1]=4 4099 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [1,1,0,0,0,0|1,0,1]=4 4100 B12R0.5 C=CCCCSCCCCCCF 62a_100011713584_100015922095 [1,1,0,0,0,0|1,0,1]=4 4101 B12R0.5 C=CCCCSCCCCCCF 62a_100015922095_100000757094 [1,1,0,0,0,0|1,0,1]=4 4102 B12R0.5 C=CCCCSCCCCCCO 62a_100000766143_100000757094 [1,1,0,0,0,0|0,0,1]=3 4103 B12R0.5 C=CCCCSCCCCCCO 62a_100011713584_100000766143 [1,1,0,0,0,0|0,0,1]=3 4104 B12R0.5 C=CCCNCCCCCCC#N 2230a_100015191253_100009813337 [1,1,0,0,0,0|1,0,1]=4 4105 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [1,1,0,0,0,0|1,0,1]=4 4106 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [1,1,0,0,0,0|1,0,1]=4 4107 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [1,1,0,0,0,0|1,0,1]=4 4108 B12R0.5 C=CCCNCCCCCCCO 2230a_100011996573_100000754431 [1,1,0,0,0,0|0,0,1]=3 4109 B12R0.5 C=CCCNCCCCCCCO 2230a_100015191253_100000760002 [1,1,0,0,0,0|0,0,1]=3 4110 B12R0.5 C=CCCNCCCCCCCO 34a_100011996573_100000754431 [1,1,0,0,0,0|0,0,1]=3 4111 B12R0.5 C=CCCNCCCCCCOC 2230a_100015191253_100011998445 [1,1,0,0,0,0|1,0,1]=4 4112 B12R0.5 C=CCCNCCCOCCCO 2230a_100011310245_100000754431 [1,1,0,0,0,0|1,0,1]=4 4113 B12R0.5 C=CCCNCCCOCCCO 34a_100011310245_100000754431 [1,1,0,0,0,0|1,0,1]=4 4114 B12R0.5 C=CCCOCCCCCCCBr 34a_100000760002_100000754431 [1,1,0,0,0,0|1,0,1]=4 4115 B12R0.5 C=CCCOCCCCCCCBr 7a_100000760002_100000754431 [1,1,0,0,0,0|1,0,1]=4 4116 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [1,1,0,0,0,0|1,0,1]=4 4117 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [1,1,0,0,0,0|1,0,1]=4 4118 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [1,1,0,0,0,0|1,0,1]=4 4119 B12R0.5 C=CCCOCCCCCCCN 34a_100011996573_100000754431 [1,1,0,0,0,0|1,0,1]=4 4120 B12R0.5 C=CCCOCCCCCCCO 34a_100011205117_100000760002 [1,1,0,0,0,0|0,0,1]=3 4121 B12R0.5 C=CCCOCCCCCCOC 34a_100011205117_100011998445 [1,1,0,0,0,0|1,0,1]=4 4122 B12R0.5 C=CCCOCCCCCCOC 34a_200012092642_100000754431 [1,1,0,0,0,0|1,0,1]=4 4123 B12R0.5 C=CCCOCCCCCCOC 7a_200012092642_100000754431 [1,1,0,0,0,0|1,0,1]=4 4124 B12R0.5 C=CCCSCCCCCCC#N 62a_100000754431_100009813337 [1,1,0,0,0,0|1,0,1]=4 4125 B12R0.5 C=CCCSCCCCCCC#N 62a_100009813337_100000754431 [1,1,0,0,0,0|1,0,1]=4 4126 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [1,1,0,0,0,0|1,0,1]=4 4127 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [1,1,0,0,0,0|1,0,1]=4 4128 B12R0.5 C=CCCSCCCCCCCO 62a_100000754431_100000760002 [1,1,0,0,0,0|0,0,1]=3 4129 B12R0.5 C=CCCSCCCCCCCO 62a_100000760002_100000754431 [1,1,0,0,0,0|0,0,1]=3 4130 B12R0.5 C=CCCSCCCCCCOC 62a_100000754431_100011998445 [1,1,0,0,0,0|1,0,1]=4 4131 B12R0.5 C=CCCSCCCCCCOC 62a_100011998445_100000754431 [1,1,0,0,0,0|1,0,1]=4 4132 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [1,1,0,0,0,0|1,0,1]=4 4133 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [1,1,0,0,0,0|1,0,1]=4 4134 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [1,1,0,0,0,0|1,0,1]=4 4135 B12R0.5 C=CCNCCCCCCCCO 2230a_100020586998_100000033203 [1,1,0,0,0,0|0,0,1]=3 4136 B12R0.5 C=CCNCCCCCCCCO 2230a_102515433106_100000210623 [1,1,0,0,0,0|0,0,1]=3 4137 B12R0.5 C=CCNCCCCCCCCO 34a_102515433106_100015514636 [1,1,0,0,0,0|0,0,1]=3 4138 B12R0.5 C=CCOCCCCCCCCBr 34a_100009813846_100015514636 [1,1,0,0,0,0|1,0,1]=4 4139 B12R0.5 C=CCOCCCCCCCCBr 7a_100009813846_100015514636 [1,1,0,0,0,0|1,0,1]=4 4140 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [1,1,0,0,0,0|1,0,1]=4 4141 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [1,1,0,0,0,0|1,0,1]=4 4142 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [1,1,0,0,0,0|1,0,1]=4 4143 B12R0.5 C=CCOCCCCCCCCCl 34a_100000033203_100015514636 [1,1,0,0,0,0|1,0,1]=4 4144 B12R0.5 C=CCOCCCCCCCCCl 7a_100000033203_100015514636 [1,1,0,0,0,0|1,0,1]=4 4145 B12R0.5 C=CCOCCCCCCCCN 34a_102515433106_100015514636 [1,1,0,0,0,0|1,0,1]=4 4146 B12R0.5 C=CCOCCCCCCCCO 34a_200000210373_100000033203 [1,1,0,0,0,0|0,0,1]=3 4147 B12R0.5 C=CCOCCOCCCCC=O 7a_100000037705_100000139335 [1,1,0,0,0,0|1,0,0]=3 4148 B12R0.5 C=CCOCCOCCCCCO 34a_100000037705_100000746330 [1,1,0,0,0,0|1,0,1]=4 4149 B12R0.5 C=CCOCCOCCCCCO 7a_100000037705_100000746330 [1,1,0,0,0,0|1,0,1]=4 4150 B12R0.5 C=CCOCCOCCOCC=O 34a_100000065479_200009817547 [1,1,0,0,0,0|2,0,0]=4 4151 B12R0.5 C=CCOCCOCCOCC=O 7a_100000065479_200015260668 [1,1,0,0,0,0|2,0,0]=4 4152 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [1,1,0,0,0,0|1,0,1]=4 4153 B12R0.5 C=CCSCCCCCCCCO 62a_100000033203_100000210623 [1,1,0,0,0,0|0,0,1]=3 4154 B12R0.5 C=CCSCCCCCCCCO 62a_100000210623_100000033203 [1,1,0,0,0,0|0,0,1]=3 4155 B12R0.5 C=COCCCCOCCCC=O 7a_100000031558_200011292268 [1,1,0,0,0,0|1,0,0]=3 4156 B12R0.5 C=COCCCCOCCCCO 34a_100000031558_100011216708 [1,1,0,0,0,0|1,0,1]=4 4157 B12R0.5 C=COCCCCOCCCCO 7a_100000031558_100000210776 [1,1,0,0,0,0|1,0,1]=4 4158 B12R0.5 C=COCCCNCCCCC=O 2230a_100000210767_100000139335 [1,1,0,0,0,0|1,0,0]=3 4159 B12R0.5 C=COCCCNCCCCCO 2230a_100000210767_100000746330 [1,1,0,0,0,0|1,0,1]=4 4160 B12R0.5 C=COCCCNCCCCCO 34a_100000210767_100000746330 [1,1,0,0,0,0|1,0,1]=4 4161 B12R0.5 C=COCCNCCCCCCO 2230a_100000686447_100000039644 [1,1,0,0,0,0|1,0,1]=4 4162 B12R0.5 C=COCCNCCCCCCO 34a_100000686447_100000039644 [1,1,0,0,0,0|1,0,1]=4 4163 B12R0.5 C=COCCOCCCCCCO 34a_100000033082_100000766143 [1,1,0,0,0,0|1,0,1]=4 4164 B12R0.5 C=COCCSCCCCCC=O 62a_100000039644_100000139337 [1,1,0,0,0,0|1,0,0]=3 4165 B12R0.5 C=COCCSCCCCCC=O 62a_100000139337_100000039644 [1,1,0,0,0,0|1,0,0]=3 4166 B12R0.5 C=COCCSCCCCCCO 62a_100000039644_100000766143 [1,1,0,0,0,0|1,0,1]=4 4167 B12R0.5 C=COCCSCCCCCCO 62a_100000766143_100000039644 [1,1,0,0,0,0|1,0,1]=4 4168 B12R0.5 CC=CCCCOCCCCCO 34a_100020645299_100000746330 [1,1,0,0,0,0|1,0,1]=4 4169 B12R0.5 CC=CCNCCCCCCCO 2230a_100011996573_100000070051 [1,1,0,0,0,0|1,0,1]=4 4170 B12R0.5 CC=CCNCCCCCCCO 34a_100011996573_100000070051 [1,1,0,0,0,0|1,0,1]=4 4171 B12R0.5 CC=CCSCCCCCCCO 62a_100000070051_100000760002 [1,1,0,0,0,0|1,0,1]=4 4172 B12R0.5 CC=CCSCCCCCCCO 62a_100000760002_100000070051 [1,1,0,0,0,0|1,0,1]=4 4173 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [1,1,0,0,0,0|0,0,2]=4 4174 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [1,1,0,0,0,0|0,0,2]=4 4175 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [1,1,0,0,0,0|0,0,2]=4 4176 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [1,1,0,0,0,0|0,0,2]=4 4177 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [1,1,0,0,0,0|0,0,2]=4 4178 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [1,1,0,0,0,0|0,0,2]=4 4179 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [1,1,0,0,0,0|0,0,2]=4 4180 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [1,1,0,0,0,0|0,0,2]=4 4181 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [1,1,0,0,0,0|0,0,2]=4 4182 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [1,1,0,0,0,0|0,0,2]=4 4183 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [1,1,0,0,0,0|0,0,2]=4 4184 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [1,1,0,0,0,0|0,0,2]=4 4185 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [1,1,0,0,0,0|0,0,2]=4 4186 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [1,1,0,0,0,0|0,0,2]=4 4187 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [1,1,0,0,0,0|0,0,2]=4 4188 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [1,1,0,0,0,0|0,0,2]=4 4189 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [1,1,0,0,0,0|0,0,2]=4 4190 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [1,1,0,0,0,0|1,0,1]=4 4191 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [1,1,0,0,0,0|1,0,1]=4 4192 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [1,1,0,0,0,0|1,0,1]=4 4193 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [1,1,0,0,0,0|1,0,1]=4 4194 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [1,1,0,0,0,0|1,0,1]=4 4195 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [1,1,0,0,0,0|1,0,1]=4 4196 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [1,1,0,0,0,0|1,0,1]=4 4197 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [1,1,0,0,0,0|1,0,1]=4 4198 B12R0.5 N#CCCCCCSCCCC=O 62a_100009813376_200011292268 [1,1,0,0,0,0|1,0,1]=4 4199 B12R0.5 N#CCCCCCSCCCC=O 62a_200011292268_100009813376 [1,1,0,0,0,0|1,0,1]=4 4200 B12R0.5 N#CCCCCSCCCCC=O 62a_100000139335_100000211819 [1,1,0,0,0,0|1,0,1]=4 4201 B12R0.5 N#CCCCCSCCCCC=O 62a_100011219923_100000139335 [1,1,0,0,0,0|1,0,1]=4 4202 B12R0.5 N#CCCCSCCCCCC=O 62a_100000139337_100000687738 [1,1,0,0,0,0|1,0,1]=4 4203 B12R0.5 N#CCCCSCCCCCC=O 62a_100000687738_100000139337 [1,1,0,0,0,0|1,0,1]=4 4204 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [1,1,0,0,0,0|1,0,1]=4 4205 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [1,1,0,0,0,0|1,0,1]=4 4206 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [1,1,0,0,0,0|1,0,1]=4 4207 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [1,1,0,0,0,0|1,0,1]=4 4208 B12R0.5 O=CCCCCCSCCCC=O 62a_100000139337_200011292268 [1,1,0,0,0,0|1,0,0]=3 4209 B12R0.5 O=CCCCCCSCCCC=O 62a_200011292268_100000139337 [1,1,0,0,0,0|1,0,0]=3 4210 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [1,1,0,0,0,0|1,0,1]=4 4211 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [1,1,0,0,0,0|1,0,1]=4 4212 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [1,1,0,0,0,0|1,0,1]=4 4213 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [1,1,0,0,0,0|1,0,1]=4 4214 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [1,1,0,0,0,0|1,0,1]=4 4215 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [1,1,0,0,0,0|1,0,1]=4 4216 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [1,1,0,0,0,0|1,0,1]=4 4217 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [1,1,0,0,0,0|1,0,1]=4 4218 B12R0.5 O=CCCCCSCCCCC=O 62a_100000139335_100000139335 [1,1,0,0,0,0|1,0,0]=3 4219 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [1,1,0,0,0,0|1,0,1]=4 4220 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [1,1,0,0,0,0|1,0,1]=4 4221 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [1,1,0,0,0,0|1,0,1]=4 4222 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [1,1,0,0,0,0|1,0,1]=4 4223 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [1,1,0,0,0,0|1,0,1]=4 4224 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [1,1,0,0,0,0|1,0,1]=4 4225 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [1,1,0,0,0,0|1,0,1]=4 4226 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [1,1,0,0,0,0|1,0,1]=4 4227 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [1,1,0,0,0,0|1,0,1]=4 4228 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [1,1,0,0,0,0|1,0,1]=4 4229 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [1,1,0,0,0,0|1,0,1]=4 4230 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [1,1,0,0,0,0|1,0,1]=4 4231 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [1,1,0,0,0,0|1,0,1]=4 4232 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [1,1,0,0,0,0|1,0,1]=4 4233 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [1,1,0,0,0,0|1,0,1]=4 4234 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [1,1,0,0,0,0|1,0,1]=4 4235 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [1,1,0,0,0,0|1,0,1]=4 4236 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [1,1,0,0,0,0|1,0,1]=4 4237 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [1,1,0,0,0,0|1,0,1]=4 4238 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [1,1,0,0,0,0|1,0,1]=4 4239 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100000766728_100000746330 [1,1,0,0,0,0|0,0,2]=4 4240 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100102619762_100000757094 [1,1,0,0,0,0|0,0,2]=4 4241 B12R0.47 C=CCCCCC(=O)CCCC=C 1458a_100000766728_100011215482 [1,1,0,0,0,0|1,0,1]=4 4242 B12R0.47 C=CCCCCC(=O)CCCC=C 1458a_100011215552_100000757094 [1,1,0,0,0,0|1,0,1]=4 4243 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100000695505_100011215482 [1,1,0,0,0,0|0,0,2]=4 4244 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100011215552_100000210776 [1,1,0,0,0,0|0,0,2]=4 4245 B12R0.47 C=CCCCCN(C)CCCC=C 2230a_100012000471_100011713584 [1,1,0,0,0,0|2,0,0]=4 4246 B12R0.47 C=CCCCCN(C)CCCC=C 269982a_100012000471_100000757094 [1,1,0,0,0,0|2,0,0]=4 4247 B12R0.47 C=CCCCCN(C)CCCC=O 2230a_100012000471_200011292268 [1,1,0,0,0,0|1,0,0]=3 4248 B12R0.47 C=CCCCCN(C)CCCC=O 269982a_100012000471_200011292268 [1,1,0,0,0,0|1,0,0]=3 4249 B12R0.47 C=CCCCCN(C)CCCCO 2230a_100000717598_100011215482 [1,1,0,0,0,0|1,0,1]=4 4250 B12R0.47 C=CCCCCN(C)CCCCO 2230a_100012000471_100000210776 [1,1,0,0,0,0|1,0,1]=4 4251 B12R0.47 C=CCCCCN(C)CCCCO 269982a_100000717598_100011215482 [1,1,0,0,0,0|1,0,1]=4 4252 B12R0.47 C=CCCCCN(C)CCCCO 269982a_100012000471_100000210776 [1,1,0,0,0,0|1,0,1]=4 4253 B12R0.47 C=CCCCN(C)CCCCCO 2230a_100000722520_100011713584 [1,1,0,0,0,0|1,0,1]=4 4254 B12R0.47 C=CCCCN(C)CCCCCO 269982a_100000722520_100000757094 [1,1,0,0,0,0|1,0,1]=4 4255 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100000749702_100000766143 [1,1,0,0,0,0|0,0,2]=4 4256 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100011996774_100000754431 [1,1,0,0,0,0|0,0,2]=4 4257 B12R0.206 C=CCCC(C)NCCCCCO 270004a_100000762737_100000762624 [1,1,0,0,0,0|1,0,1]=4 4258 B12R0.206 C=CCCC(C)OCCCCC=O 7a_100000765329_100000139335 [1,1,0,0,0,0|1,0,0]=3 4259 B12R0.206 C=CCCC(C)OCCCCCO 34a_100000765329_100000746330 [1,1,0,0,0,0|1,0,1]=4 4260 B12R0.206 C=CCCC(C)OCCCCCO 7a_100000765329_100000746330 [1,1,0,0,0,0|1,0,1]=4 4261 B12R0.206 C=CCCCCCC(=O)CCC=C 1458a_100000749702_100000700193 [1,1,0,0,0,0|1,0,1]=4 4262 B12R0.206 C=CCCCCCC(=O)CCC=C 1458a_100011934241_100000754431 [1,1,0,0,0,0|1,0,1]=4 4263 B12R0.206 C=CCCCCCC(=O)CCCO 1458a_100011934241_100011215043 [1,1,0,0,0,0|0,0,2]=4 4264 B12R0.206 C=CCCCCCN(C)CCC=C 2230a_100020639649_100000700193 [1,1,0,0,0,0|2,0,0]=4 4265 B12R0.206 C=CCCCCCN(C)CCC=C 269982a_100020639649_100000700193 [1,1,0,0,0,0|2,0,0]=4 4266 B12R0.206 C=CCCCCCN(C)CCCO 2230a_100000213112_100000700193 [1,1,0,0,0,0|1,0,1]=4 4267 B12R0.206 C=CCCCCCN(C)CCCO 269982a_100000213112_100000700193 [1,1,0,0,0,0|1,0,1]=4 4268 B12R0.206 C=CCCCCNC(C)CCC=C 270004a_100000703577_100000762624 [1,1,0,0,0,0|2,0,0]=4 4269 B12R0.206 C=CCCCCOC(C)CCC=C 34a_100000765329_100011215482 [1,1,0,0,0,0|2,0,0]=4 4270 B12R0.206 C=CCCCCOC(C)CCC=C 7a_100000765329_100011215482 [1,1,0,0,0,0|2,0,0]=4 4271 B12R0.206 C=CCCCNC[C@H](C)CCCO 2230a_100160569302_100011713584 [1,1,0,0,0,0|1,0,1]=4 4272 B12R0.206 C=CCCCNC[C@H](C)CCCO 34a_100160569302_100000757094 [1,1,0,0,0,0|1,0,1]=4 4273 B12R0.206 C=CCCN(C)CCCCCC=O 2230a_100020639649_100000139337 [1,1,0,0,0,0|1,0,0]=3 4274 B12R0.206 C=CCCN(C)CCCCCC=O 269982a_100020639649_100000139337 [1,1,0,0,0,0|1,0,0]=3 4275 B12R0.206 C=CCCN(C)CCCCCCO 2230a_100020639649_100000766143 [1,1,0,0,0,0|1,0,1]=4 4276 B12R0.206 C=CCCN(C)CCCCCCO 269982a_100020639649_100000766143 [1,1,0,0,0,0|1,0,1]=4 4277 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [1,1,0,0,0,0|0,0,2]=4 4278 B12R0.248 C=CC(C)COCCCCCC=O 7a_100011215527_100000139337 [1,1,0,0,0,0|1,0,0]=3 4279 B12R0.248 C=CC(C)COCCCCCCO 34a_100011215527_100000766143 [1,1,0,0,0,0|1,0,1]=4 4280 B12R0.248 C=CC(C)COCCCCCCO 7a_100011215527_100000766143 [1,1,0,0,0,0|1,0,1]=4 4281 B12R0.248 C=CC(C)OCCCCCCCO 34a_100000695699_100000760002 [1,1,0,0,0,0|1,0,1]=4 4282 B12R0.248 C=CC(C)SCCCCCCCO 62a_100011215867_100000760002 [1,1,0,0,0,0|1,0,1]=4 4283 B12R0.248 C=CC(O)CNCCCCCCO 2230a_100000686447_100000730141 [1,1,0,0,0,0|1,0,1]=4 4284 B12R0.248 C=CC(O)CNCCCCCCO 34a_100000686447_100000730141 [1,1,0,0,0,0|1,0,1]=4 4285 B12R0.248 C=CC(O)CSCCCCCC=O 62a_100000139337_100000730141 [1,1,0,0,0,0|1,0,0]=3 4286 B12R0.248 C=CC(O)CSCCCCCC=O 62a_100000730141_100000139337 [1,1,0,0,0,0|1,0,0]=3 4287 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000730141_100000766143 [1,1,0,0,0,0|1,0,1]=4 4288 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000766143_100000730141 [1,1,0,0,0,0|1,0,1]=4 4289 B12R0.248 C=CCCCCCCCC(=O)C=C 1458a_100000185746_100012355270 [1,1,0,0,0,0|1,0,1]=4 4290 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [1,1,0,0,0,0|0,0,2]=4 4291 B12R0.248 C=CCCCCCCN[C@H](C)CO 2230a_100000737577_100011215473 [1,1,0,0,0,0|1,0,1]=4 4292 B12R0.248 C=CCCCCCCOC(C)C=C 34a_100000695699_100011215473 [1,1,0,0,0,0|2,0,0]=4 4293 B12R0.248 C=CCCCCCCOC(C)CO 34a_200011216477_100012180447 [1,1,0,0,0,0|1,0,1]=4 4294 B12R0.248 C=CCCCCCCOC(C)CO 7a_200011216477_100012180447 [1,1,0,0,0,0|1,0,1]=4 4295 B12R0.248 C=CCCCCCCSC(C)C=C 62a_100011215867_100011215473 [1,1,0,0,0,0|2,0,0]=4 4296 B12R0.248 C=CCCCCCCSC(C)CO 62a_100012180447_100011215473 [1,1,0,0,0,0|1,0,1]=4 4297 B12R0.248 C=CCCCCCCS[C@H](C)CO 62a_100011215473_100016084084 [1,1,0,0,0,0|1,0,1]=4 4298 B12R0.248 C=CCCCCCCS[C@H](C)CO 62a_100016084084_100011215473 [1,1,0,0,0,0|1,0,1]=4 4299 B12R0.248 C=CCCCCCNCC(C)CO 34a_100000744482_100000700193 [1,1,0,0,0,0|1,0,1]=4 4300 B12R0.248 C=CCCCCCNC[C@@H](F)CO 34a_100015665980_100000700193 [1,1,0,0,0,0|1,0,1]=4 4301 B12R0.248 C=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000700193 [1,1,0,0,0,0|1,0,1]=4 4302 B12R0.248 C=CCCCCCOCC(C)C=C 34a_100011215527_100000700193 [1,1,0,0,0,0|2,0,0]=4 4303 B12R0.248 C=CCCCCCOCC(C)C=C 7a_100011215527_100000700193 [1,1,0,0,0,0|2,0,0]=4 4304 B12R0.248 C=CCCCCCOCC(O)C=C 34a_100011216702_100000730141 [1,1,0,0,0,0|2,0,0]=4 4305 B12R0.248 C=CCCCCCOCC(O)C=C 7a_100011216702_100000730141 [1,1,0,0,0,0|2,0,0]=4 4306 B12R0.248 C=CCCCCCOCC(O)CO 34a_100011216702_100011219619 [1,1,0,0,0,0|1,0,1]=4 4307 B12R0.248 C=CCCCCCOCC(O)CO 7a_100011216702_100011219619 [1,1,0,0,0,0|1,0,1]=4 4308 B12R0.248 C=CCCCCCOC[C@@H](C)CO 34a_100011216702_100000059175 [1,1,0,0,0,0|1,0,1]=4 4309 B12R0.248 C=CCCCCCOC[C@@H](C)CO 7a_100011216702_100000059175 [1,1,0,0,0,0|1,0,1]=4 4310 B12R0.248 C=CCCCCCOC[C@@H](N)C=C 34a_100016989147_100000700193 [1,1,0,0,0,0|2,0,0]=4 4311 B12R0.248 C=CCCCCCOC[C@@H](O)CO 34a_100011216702_100009815848 [1,1,0,0,0,0|1,0,1]=4 4312 B12R0.248 C=CCCCCCOC[C@@H](O)CO 7a_100011216702_100009815848 [1,1,0,0,0,0|1,0,1]=4 4313 B12R0.248 C=CCCCCCSCC(O)C=C 62a_100000700193_100000730141 [1,1,0,0,0,0|2,0,0]=4 4314 B12R0.248 C=CCCCCCSCC(O)C=C 62a_100000730141_100000700193 [1,1,0,0,0,0|2,0,0]=4 4315 B12R0.248 C=CCCCCCSCC(O)CO 62a_100000700193_100011219619 [1,1,0,0,0,0|1,0,1]=4 4316 B12R0.248 C=CCCCCCSCC(O)CO 62a_100011219619_100000700193 [1,1,0,0,0,0|1,0,1]=4 4317 B12R0.248 C=CCCCCCSC[C@@H](C)CO 62a_100000059175_100000700193 [1,1,0,0,0,0|1,0,1]=4 4318 B12R0.248 C=CCCCCCSC[C@@H](C)CO 62a_100000700193_100000059175 [1,1,0,0,0,0|1,0,1]=4 4319 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100000700193_100009815848 [1,1,0,0,0,0|1,0,1]=4 4320 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000700193 [1,1,0,0,0,0|1,0,1]=4 4321 B12R0.248 C=CCCCCNCCC(C)CO 2230a_106354213184_100011215482 [1,1,0,0,0,0|1,0,1]=4 4322 B12R0.248 C=CCCCCNCCC(C)CO 34a_106354213184_100011215482 [1,1,0,0,0,0|1,0,1]=4 4323 B12R0.248 C=C[C@H](N)COCCCCCCO 34a_100016989147_100000766143 [1,1,0,0,0,0|1,0,1]=4 4324 B12R0.4 C=CCCCCCC(=O)CC(=O)N 1458a_100011934241_100000187820 [1,1,0,0,0,0|1,0,1]=4 4325 B12R0.4 C=CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000700193 [1,1,0,0,0,0|1,0,1]=4 4326 B12R0.4 C=CCCCCCC(=O)CC(=O)[O-] 1458a_100011934241_100020667443 [1,1,0,0,0,0|0,0,2]=4 4327 B12R0.4 C=CCCCCCN(C)CC(=O)N 2230a_100000739694_100000700193 [1,1,0,0,0,0|2,0,0]=4 4328 B12R0.4 C=CCCCCCN(C)CC(=O)O 269956a_100000746989_100000700193 [1,1,0,0,0,0|1,0,0]=3 4329 B12R0.4 C=CCCCNCC(O)CC(=O)O 269956a_100011218706_100011713584 [1,1,0,0,0,0|1,0,0]=3 4330 B12R0.4 C=COCCNCC(O)CC(=O)O 269956a_100011218706_100000039644 [1,1,0,0,0,0|2,0,0]=4 4331 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [1,1,0,0,0,0|1,0,1]=4 4332 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [1,1,0,0,0,0|1,0,1]=4 4333 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [1,1,0,0,0,0|1,0,1]=4 4334 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [1,1,0,0,0,0|1,0,1]=4 4335 B12R0.4 CN(CCCCCC=O)CC(=O)O 269956a_100000746989_100000139337 [1,1,0,0,0,0|2,0,0]=4 4336 B12R0.4 CN(CCCCCCF)CC(=O)O 269956a_100000746989_100015922095 [1,1,0,0,0,0|2,0,0]=4 4337 B12R0.4 CN(CCCCCCO)CC(=O)O 269956a_100000746989_100000766143 [1,1,0,0,0,0|2,0,0]=4 4338 B12R0.4 O=C(O)CC(O)CNCCCCF 269956a_100011218706_100000729493 [1,1,0,0,0,0|2,0,0]=4 4339 B12R0.4 O=C(O)CC(O)CNCCCCO 269956a_100011218706_100000210776 [1,1,0,0,0,0|2,0,0]=4 4340 B12R0.4 O=CCCCNCC(O)CC(=O)O 269956a_100011218706_200011292268 [1,1,0,0,0,0|2,0,0]=4 4341 B12R0.95 C=CCCC(=O)CCCCC(=O)C 1458a_100000749702_100000735457 [1,1,0,0,0,0|1,0,1]=4 4342 B12R0.95 C=CCCC(C)OCCCC(=O)C 34a_100000765329_100000685027 [1,1,0,0,0,0|2,0,0]=4 4343 B12R0.95 C=CCCC(C)OCCCC(=O)C 7a_100000765329_100011215641 [1,1,0,0,0,0|2,0,0]=4 4344 B12R0.95 C=CCCC(C)OCCCC(=O)N 34a_100000765329_100102525003 [1,1,0,0,0,0|2,0,0]=4 4345 B12R0.95 C=CCCC(C)OCCCC(=O)N 7a_100000765329_100102525003 [1,1,0,0,0,0|2,0,0]=4 4346 B12R0.95 C=CCCN(C)CCCCC(=O)C 269982a_100020639649_100000735457 [1,1,0,0,0,0|2,0,0]=4 4347 B12R0.184 C=CC(C)COCCCCC(=O)C 34a_100011215527_100009817362 [1,1,0,0,0,0|2,0,0]=4 4348 B12R0.184 C=CC(C)COCCCCC(=O)C 7a_100011215527_100000735457 [1,1,0,0,0,0|2,0,0]=4 4349 B12R0.184 C=CC(C)OCCCCCC(=O)N 34a_100000695699_100009817443 [1,1,0,0,0,0|2,0,0]=4 4350 B12R0.184 C=CC(C)SCCCCCC(=O)N 62a_100011215867_100009817443 [1,1,0,0,0,0|2,0,0]=4 4351 B12R0.184 C=CC(O)CNCCCCC(=O)N 34a_100000696515_100000730141 [1,1,0,0,0,0|2,0,0]=4 4352 B12R0.184 C=CC(O)CNCCOCC(=O)O 269956a_100000700818_100000730141 [1,1,0,0,0,0|2,0,0]=4 4353 B12R0.184 C=CC(O)COCCCCC(=O)N 34a_100012022536_100000730141 [1,1,0,0,0,0|2,0,0]=4 4354 B12R0.184 C=CC(O)COCCCCC(=O)N 7a_100012022536_100000730141 [1,1,0,0,0,0|2,0,0]=4 4355 B12R0.184 C=CC(O)CSCCCCC(=O)C 62a_100000730141_100000735457 [1,1,0,0,0,0|2,0,0]=4 4356 B12R0.184 C=CC(O)CSCCCCC(=O)C 62a_100000735457_100000730141 [1,1,0,0,0,0|2,0,0]=4 4357 B12R0.184 C=C[C@H](N)COCCCCC(=O)C 34a_100016989147_100009817362 [1,1,0,0,0,0|2,0,0]=4 4358 B12R0.233 C=CCCCC(=O)CCCC(=O)C 1458a_100000766728_100011215641 [1,1,0,0,0,0|1,0,1]=4 4359 B12R0.233 C=CCCCC(=O)CCCC(=O)N 1458a_100000766728_100102525003 [1,1,0,0,0,0|1,0,1]=4 4360 B12R0.233 C=CCCCN(C)CCCC(=O)O 269956a_100000719178_100011713584 [1,1,0,0,0,0|1,0,0]=3 4361 B12R0.233 C=CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000754431 [1,1,0,0,0,0|1,0,1]=4 4362 B12R0.233 C=COCCN(C)CCCC(=O)O 269956a_100000719178_100000039644 [1,1,0,0,0,0|2,0,0]=4 4363 B12R0.233 CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210326 [1,1,0,0,0,0|1,0,1]=4 4364 B12R0.233 CN(CCCC=O)CCCC(=O)O 269956a_100000719178_200011292268 [1,1,0,0,0,0|2,0,0]=4 4365 B12R0.233 CN(CCCCF)CCCC(=O)O 269956a_100000719178_100000729493 [1,1,0,0,0,0|2,0,0]=4 4366 B12R0.233 CN(CCCCO)CCCC(=O)O 269956a_100000719178_100000210776 [1,1,0,0,0,0|2,0,0]=4 4367 B12R0.251 C=CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000700193 [1,1,0,0,0,0|1,0,0]=3 4368 B12R0.251 C=CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000700193 [1,1,0,0,0,0|2,0,0]=4 4369 B12R0.251 C=CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000700193 [1,1,0,0,0,0|2,0,0]=4 4370 B12R0.251 C=CCCCCCOC(C)C(=O)C 34a_100000212229_100000700193 [1,1,0,0,0,0|2,0,0]=4 4371 B12R0.251 C=CCCCCCOC(C)C(=O)C 7a_100011216702_100000179758 [1,1,0,0,0,0|2,0,0]=4 4372 B12R0.251 C=CCCCCCOC(C)C(=O)N 34a_100011216702_100000702099 [1,1,0,0,0,0|2,0,0]=4 4373 B12R0.251 C=CCCCCCOC(C)C(=O)N 7a_100011216702_100000702099 [1,1,0,0,0,0|2,0,0]=4 4374 B12R0.251 C=CCCCCCOC(F)C(=O)N 34a_100011216702_100009813875 [1,1,0,0,0,0|2,0,0]=4 4375 B12R0.251 C=CCCCCCOC(F)C(=O)N 7a_100011216702_100009813875 [1,1,0,0,0,0|2,0,0]=4 4376 B12R0.251 C=CCCCCCOC(F)C(=O)[O-] 34a_100011216702_100020610796 [1,1,0,0,0,0|1,0,1]=4 4377 B12R0.251 C=CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000700193 [1,1,0,0,0,0|1,0,1]=4 4378 B12R0.251 C=CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000700193 [1,1,0,0,0,0|2,0,0]=4 4379 B12R0.251 C=CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000700193 [1,1,0,0,0,0|2,0,0]=4 4380 B12R0.251 C=CCCCCCSC(C)C(=O)C 62a_100000700193_100009814033 [1,1,0,0,0,0|2,0,0]=4 4381 B12R0.251 C=CCCCCCSC(C)C(=O)C 62a_100009814033_100000700193 [1,1,0,0,0,0|2,0,0]=4 4382 B12R0.251 C=CCCCCCSC(C)C(=O)N 62a_100000700193_100000702099 [1,1,0,0,0,0|2,0,0]=4 4383 B12R0.251 C=CCCCCCSC(C)C(=O)N 62a_100000702099_100000700193 [1,1,0,0,0,0|2,0,0]=4 4384 B12R0.251 C=CCCCCCSC(F)C(=O)N 62a_100000700193_100009813875 [1,1,0,0,0,0|2,0,0]=4 4385 B12R0.251 C=CCCCCCSC(F)C(=O)N 62a_100009813875_100000700193 [1,1,0,0,0,0|2,0,0]=4 4386 B12R0.251 C=CCCCCCSC(F)C(=O)[O-] 62a_100000700193_100020610796 [1,1,0,0,0,0|1,0,1]=4 4387 B12R0.251 C=CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000700193 [1,1,0,0,0,0|1,0,1]=4 4388 B12R0.251 C=CCCCCNCC(C)C(=O)O 269956a_100000749485_100011215482 [1,1,0,0,0,0|1,0,0]=3 4389 B12R0.251 C=CCCCCNCC(F)C(=O)O 269956a_100000084737_100011215482 [1,1,0,0,0,0|1,0,0]=3 4390 B12R0.251 C=CCCCCOCC(C)C(=O)C 34a_100000032740_100011215482 [1,1,0,0,0,0|2,0,0]=4 4391 B12R0.251 C=CCCCCOCC(C)C(=O)C 7a_100000032740_100011215482 [1,1,0,0,0,0|2,0,0]=4 4392 B12R0.251 C=CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011215482 [1,1,0,0,0,0|2,0,0]=4 4393 B12R0.251 CC(CNCCCCC=O)C(=O)O 269956a_100000749485_100000139335 [1,1,0,0,0,0|2,0,0]=4 4394 B12R0.251 CC(CNCCCCCF)C(=O)O 269956a_100000749485_100000729378 [1,1,0,0,0,0|2,0,0]=4 4395 B12R0.251 CC(CNCCCCCO)C(=O)O 269956a_100000749485_100000746330 [1,1,0,0,0,0|2,0,0]=4 4396 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [1,1,0,0,0,0|1,0,1]=4 4397 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [1,1,0,0,0,0|1,0,1]=4 4398 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [1,1,0,0,0,0|1,0,1]=4 4399 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [1,1,0,0,0,0|1,0,1]=4 4400 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [1,1,0,0,0,0|1,0,1]=4 4401 B12R0.251 C[C@H](NCCCCCC=O)C(=O)O 269956a_100000743915_100000139337 [1,1,0,0,0,0|2,0,0]=4 4402 B12R0.251 C[C@H](NCCCCCCF)C(=O)O 269956a_100000743915_100015922095 [1,1,0,0,0,0|2,0,0]=4 4403 B12R0.251 C[C@H](NCCCCCCO)C(=O)O 269956a_100000743915_100000766143 [1,1,0,0,0,0|2,0,0]=4 4404 B12R0.251 O=C(O)C(F)CNCCCCCF 269956a_100000084737_100000729378 [1,1,0,0,0,0|2,0,0]=4 4405 B12R0.251 O=C(O)C(F)CNCCCCCO 269956a_100000084737_100000746330 [1,1,0,0,0,0|2,0,0]=4 4406 B12R0.251 O=CCCCCNCC(F)C(=O)O 269956a_100000084737_100000139335 [1,1,0,0,0,0|2,0,0]=4 4407 B12R0.255 C=CCCCCC(=O)CCC(=O)N 1458a_100011215257_100011215482 [1,1,0,0,0,0|1,0,1]=4 4408 B12R0.255 C=CCCCCN(C)CCC(=O)C 269982a_100012000471_100000053229 [1,1,0,0,0,0|2,0,0]=4 4409 B12R0.255 C=CCCCCN(C)CCC(=O)N 2230a_100000730477_100011215482 [1,1,0,0,0,0|2,0,0]=4 4410 B12R0.255 C=CCCCCN(C)CCC(=O)N 2230a_100012000471_100000744528 [1,1,0,0,0,0|2,0,0]=4 4411 B12R0.255 C=CCCCCN(C)CCC(=O)N 269982a_100012000471_100000744528 [1,1,0,0,0,0|2,0,0]=4 4412 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [1,1,0,0,0,0|1,0,1]=4 4413 B12R0.268 C=C(Br)CCOCCCCC(=O)C 34a_100009813270_100009817362 [1,1,0,0,0,0|2,0,0]=4 4414 B12R0.268 C=C(C)CCNCCCCC(=O)N 34a_100000696515_100000730704 [1,1,0,0,0,0|2,0,0]=4 4415 B12R0.268 C=C(C)CCNCCOCC(=O)O 269956a_100000700818_100000730704 [1,1,0,0,0,0|2,0,0]=4 4416 B12R0.268 C=C(C)CCOCCCCC(=O)C 34a_100000764851_100009817362 [1,1,0,0,0,0|2,0,0]=4 4417 B12R0.268 C=C(C)CCOCCCCC(=O)N 34a_100012022536_100000730704 [1,1,0,0,0,0|2,0,0]=4 4418 B12R0.268 C=C(C)CCOCCCCC(=O)N 7a_100012022536_100000730704 [1,1,0,0,0,0|2,0,0]=4 4419 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000730704_100000735457 [1,1,0,0,0,0|2,0,0]=4 4420 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000735457_100000730704 [1,1,0,0,0,0|2,0,0]=4 4421 B12R0.268 C=C(C)COCCCCCC(=O)N 34a_100000123541_100000748629 [1,1,0,0,0,0|2,0,0]=4 4422 B12R0.268 C=C(C)COCCCCCC(=O)N 34a_100000210245_100009817443 [1,1,0,0,0,0|2,0,0]=4 4423 B12R0.268 C=C(C)COCCCCCC(=O)N 7a_100000123541_100000748629 [1,1,0,0,0,0|2,0,0]=4 4424 B12R0.268 C=C(C)COCCCCCC(=O)[O-] 7a_100102619762_100000748629 [1,1,0,0,0,0|1,0,1]=4 4425 B12R0.268 C=C(C)CSCCCCCC(=O)N 62a_100000748629_100009817443 [1,1,0,0,0,0|2,0,0]=4 4426 B12R0.268 C=C(C)CSCCCCCC(=O)N 62a_100009817443_100000211660 [1,1,0,0,0,0|2,0,0]=4 4427 B12R0.268 C=C(F)COCCCCCC(=O)N 34a_100000123541_100009893438 [1,1,0,0,0,0|2,0,0]=4 4428 B12R0.268 C=C(F)COCCCCCC(=O)N 34a_200010262243_100009817443 [1,1,0,0,0,0|2,0,0]=4 4429 B12R0.268 C=C(F)COCCCCCC(=O)N 7a_100000123541_100000042424 [1,1,0,0,0,0|2,0,0]=4 4430 B12R0.268 C=C(F)COCCCCCC(=O)[O-] 7a_100102619762_100000042424 [1,1,0,0,0,0|1,0,1]=4 4431 B12R0.268 C=C(F)CSCCCCCC(=O)N 62a_100000042424_100009817443 [1,1,0,0,0,0|2,0,0]=4 4432 B12R0.268 C=C(F)CSCCCCCC(=O)N 62a_100009817443_100000042424 [1,1,0,0,0,0|2,0,0]=4 4433 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [1,1,0,0,0,0|1,0,1]=4 4434 B12R0.268 NC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009817443 [1,1,0,0,0,0|2,0,0]=4 4435 B12R0.277 C=CCC(=O)CCCCCC(=O)N 1458a_100000210193_100009817443 [1,1,0,0,0,0|1,0,1]=4 4436 B12R0.277 C=CCC(C)COCCCC(=O)C 34a_100009832082_100000685027 [1,1,0,0,0,0|2,0,0]=4 4437 B12R0.277 C=CCC(C)COCCCC(=O)C 7a_100009832082_100011215641 [1,1,0,0,0,0|2,0,0]=4 4438 B12R0.277 C=CCC(C)COCCCC(=O)N 34a_100009832082_100102525003 [1,1,0,0,0,0|2,0,0]=4 4439 B12R0.277 C=CCC(C)COCCCC(=O)N 7a_100009832082_100102525003 [1,1,0,0,0,0|2,0,0]=4 4440 B12R0.277 C=CCN(C)CCCCCC(=O)N 2230a_100000225617_100009817443 [1,1,0,0,0,0|2,0,0]=4 4441 B12R0.277 C=CCN(C)CCCCCC(=O)N 269982a_100000225617_100009817443 [1,1,0,0,0,0|2,0,0]=4 4442 B12R0.277 C=CC[C@@H](C)OCCCCC(=O)C 34a_100000731007_100009817362 [1,1,0,0,0,0|2,0,0]=4 4443 B12R0.277 C=CC[C@@H](C)OCCCCC(=O)C 7a_100000731007_100000735457 [1,1,0,0,0,0|2,0,0]=4 4444 B12R0.277 C=CC[C@@H](N)COCCCC(=O)C 34a_100020615467_100000685027 [1,1,0,0,0,0|2,0,0]=4 4445 B12R0.277 C=CC[C@@H](N)COCCCC(=O)N 34a_100020615467_100102525003 [1,1,0,0,0,0|2,0,0]=4 4446 B14R0.2 C#CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100012094781 [0,2,0,0,0,0|0,0,2]=4 4447 B14R0.2 C=CCCCCCC(=O)CCCC(=O)C 1458a_100011934241_100011215641 [0,2,0,0,0,0|1,0,0]=3 4448 B14R0.2 C=CCCCCCC(=O)CCCC(=O)N 1458a_100011934241_100102525003 [0,2,0,0,0,0|1,0,0]=3 4449 B14R0.2 C=CCCCCCC(=O)CCCC(C)O 1458a_100011934241_200000718107 [0,2,0,0,0,0|1,0,1]=4 4450 B14R0.2 C=CCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000700193 [0,2,0,0,0,0|1,0,1]=4 4451 B14R0.2 C=CCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000700193 [0,2,0,0,0,0|1,0,1]=4 4452 B14R0.2 C=CCCCCCC(=O)CCNC(=O)C 1458a_100011934241_100000189650 [0,2,0,0,0,0|1,0,1]=4 4453 B14R0.2 C=CCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000700193 [0,2,0,0,0,0|1,0,1]=4 4454 B14R0.2 C=CCCCCCC(=O)CCNC(=O)N 1458a_100011934241_200000034859 [0,2,0,0,0,0|1,0,1]=4 4455 B14R0.2 C=CCCCCCC(=O)CCOC(=O)C 1458a_100011934241_100009814007 [0,2,0,0,0,0|1,0,1]=4 4456 B14R0.2 C=CCCCCCC(=O)CCOC(=O)N 1458a_100011934241_200011214921 [0,2,0,0,0,0|1,0,1]=4 4457 B14R0.2 C=CCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000700193 [0,2,0,0,0,0|1,0,1]=4 4458 B14R0.2 C=CCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000700193 [0,2,0,0,0,0|1,0,1]=4 4459 B14R0.2 C=CCCCCCC(=O)NCCC(=O)N 11a_100000740010_100011934241 [0,2,0,0,0,0|1,0,1]=4 4460 B14R0.2 C=CCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100011934241 [0,2,0,0,0,0|1,0,1]=4 4461 B14R0.2 C=CCCCCCC(=O)NCCC(=O)N 527a_100000740010_100011934241 [0,2,0,0,0,0|1,0,1]=4 4462 B14R0.2 C=CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000700193 [0,2,0,0,0,0|0,0,0]=2 4463 B14R0.2 C=CCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011215482 [0,2,0,0,0,0|0,0,1]=3 4464 B14R0.2 CC(CCCC(=O)[O-])OCCCCC=O 7a_100000761597_100000139335 [0,2,0,0,0,0|1,0,1]=4 4465 B14R0.2 CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210614 [0,2,0,0,0,0|0,0,2]=4 4466 B14R0.2 CN(CCCCCC#N)CCCC(=O)O 269956a_100000719178_100009813376 [0,2,0,0,0,0|1,0,1]=4 4467 B14R0.2 CN(CCCCCC=O)CCCC(=O)O 269956a_100000719178_100000139337 [0,2,0,0,0,0|1,0,0]=3 4468 B14R0.2 CN(CCCCCCF)CCCC(=O)O 269956a_100000719178_100015922095 [0,2,0,0,0,0|1,0,1]=4 4469 B14R0.2 CN(CCCCCCO)CCCC(=O)O 269956a_100000719178_100000766143 [0,2,0,0,0,0|1,0,1]=4 4470 B14R0.12 C=CCCCCC(=O)CCCC(=O)NC 1458a_100011215552_100000741757 [0,2,0,0,0,0|1,0,1]=4 4471 B14R0.12 C=CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215482 [0,2,0,0,0,0|0,0,1]=3 4472 B14R0.12 C=CCCCCC(=O)CCCC(=O)OC 1458a_100011215552_100011218270 [0,2,0,0,0,0|0,0,1]=3 4473 B14R0.12 C=CCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100011215482 [0,2,0,0,0,0|1,0,1]=4 4474 B14R0.12 C=CCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100011215552 [0,2,0,0,0,0|1,0,1]=4 4475 B14R0.12 C=CCCCCN(C)CCCC(=O)NC 2230a_100012000471_100000741757 [0,2,0,0,0,0|2,0,0]=4 4476 B14R0.12 C=CCCCCN(C)CCCC(=O)NC 269982a_100012000471_100000741757 [0,2,0,0,0,0|2,0,0]=4 4477 B14R0.12 C=CCCCCN(C)CCCC(=O)OC 2230a_100012000471_100011218270 [0,2,0,0,0,0|1,0,0]=3 4478 B14R0.12 C=CCCCCN(C)CCCC(=O)OC 269982a_100000739225_100011215482 [0,2,0,0,0,0|1,0,0]=3 4479 B14R0.12 C=CCCCCN(C)CCCC(=O)OC 269982a_100012000471_100011218270 [0,2,0,0,0,0|1,0,0]=3 4480 B14R0.12 C=CCCCNC(=O)CCCC(=O)OC 11a_100000700776_100000239890 [0,2,0,0,0,0|1,0,1]=4 4481 B14R0.12 C=CCCCNC(=O)CCCC(=O)OC 1626a_100000700776_100000239890 [0,2,0,0,0,0|1,0,1]=4 4482 B14R0.12 C=CCCCNC(=O)CCCC(=O)OC 240690a_100000700776_100000239890 [0,2,0,0,0,0|1,0,1]=4 4483 B14R0.12 C=CCCCNC(=O)CCCC(=O)OC 527a_100000700776_100000239890 [0,2,0,0,0,0|1,0,1]=4 4484 B14R0.12 C=CCOCCC(=O)CCCC(=O)OC 1458a_200011217002_100011218270 [0,2,0,0,0,0|1,0,1]=4 4485 B14R0.12 COC(=O)CCCN(C)CCCCC=O 269982a_100000739225_100000139335 [0,2,0,0,0,0|2,0,0]=4 4486 B14R0.67 CC(=O)CCCCN(C)CCCC(=O)O 269956a_100000719178_100000735457 [0,2,0,0,0,0|1,0,1]=4 4487 B14R0.68 C=C(Br)CCOCCCCCCB(O)O 34a_100009813270_100009817187 [0,2,0,0,0,0|1,0,1]=4 4488 B14R0.68 C=C(Br)CCOCCCCCOC(=O)C 34a_100009813270_100000033007 [0,2,0,0,0,0|2,0,0]=4 4489 B14R0.68 C=C(C)CCNCCCCCNC(=O)C 2230a_200012022750_100000730704 [0,2,0,0,0,0|2,0,0]=4 4490 B14R0.68 C=C(C)CCNCCCCCNC(=O)C 34a_200012022750_100000730704 [0,2,0,0,0,0|2,0,0]=4 4491 B14R0.68 C=C(C)CCOCCCCCCB(O)O 34a_100000764851_100009817187 [0,2,0,0,0,0|1,0,1]=4 4492 B14R0.68 C=C(C)CCOCCCCCOC(=O)C 34a_100000764851_100000033007 [0,2,0,0,0,0|2,0,0]=4 4493 B14R0.68 C=C(C)CCSCCCCCCB(O)O 62a_100000730704_100009817187 [0,2,0,0,0,0|1,0,1]=4 4494 B14R0.68 C=C(C)CCSCCCCCCB(O)O 62a_100009817187_100000730704 [0,2,0,0,0,0|1,0,1]=4 4495 B14R0.68 C=C(C)CCSCCCCCOC(=O)C 62a_100000033007_100000730704 [0,2,0,0,0,0|2,0,0]=4 4496 B14R0.68 C=C(C)CCSCCCCCOC(=O)C 62a_100000730704_100000033007 [0,2,0,0,0,0|2,0,0]=4 4497 B14R0.68 C=C(C)CNCCCCCCNC(=O)C 2230a_200011996284_100000748629 [0,2,0,0,0,0|2,0,0]=4 4498 B14R0.68 C=C(C)CNCCCCCCNC(=O)C 34a_200011996284_100000748629 [0,2,0,0,0,0|2,0,0]=4 4499 B14R0.68 C=C(C)CNCCOCCOCC(=O)O 269956a_100009854275_100000748629 [0,2,0,0,0,0|2,0,0]=4 4500 B14R0.68 C=C(F)CNCCCCCCNC(=O)C 2230a_200011996284_100009893438 [0,2,0,0,0,0|2,0,0]=4 4501 B14R0.68 C=C(F)CNCCCCCCNC(=O)C 34a_200011996284_100009893438 [0,2,0,0,0,0|2,0,0]=4 4502 B14R0.68 C=C(F)CNCCOCCOCC(=O)O 269956a_100009854275_100000042424 [0,2,0,0,0,0|2,0,0]=4 4503 B14R0.68 CC(=CCCOCCCCCC(=O)N)C 34a_100000123541_100011217483 [0,2,0,0,0,0|2,0,0]=4 4504 B14R0.68 CC(=CCCOCCCCCC(=O)N)C 7a_100000123541_100011217483 [0,2,0,0,0,0|2,0,0]=4 4505 B14R0.68 CC(=CCCOCCCCCC(=O)[O-])C 7a_100102619762_100011217483 [0,2,0,0,0,0|1,0,1]=4 4506 B14R0.68 CC(=CCCSCCCCCC(=O)N)C 62a_100009817443_100011217483 [0,2,0,0,0,0|2,0,0]=4 4507 B14R0.68 CC(=CCCSCCCCCC(=O)N)C 62a_100011217483_100009817443 [0,2,0,0,0,0|2,0,0]=4 4508 B14R0.68 CC(=O)CCCCNCCCCC(=O)N 34a_100000696515_100009817362 [0,2,0,0,0,0|1,0,1]=4 4509 B14R0.68 CC(=O)CCCCNCCOCC(=O)O 269956a_100000700818_100000735457 [0,2,0,0,0,0|1,0,1]=4 4510 B14R0.68 CC(=O)CCCCOCCCCC(=O)N 34a_100012022536_100009817362 [0,2,0,0,0,0|1,0,1]=4 4511 B14R0.68 CC(=O)CCCCOCCCCC(=O)N 7a_100012022536_100000735457 [0,2,0,0,0,0|1,0,1]=4 4512 B14R0.68 CC(=O)CCCCSCCCCC(=O)C 62a_100000735457_100000735457 [0,2,0,0,0,0|1,0,1]=4 4513 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 34a_100000123541_100000685027 [0,2,0,0,0,0|1,0,1]=4 4514 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 34a_100000759063_100009817443 [0,2,0,0,0,0|1,0,1]=4 4515 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 7a_100000123541_100011215641 [0,2,0,0,0,0|1,0,1]=4 4516 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 7a_100000759063_100009817443 [0,2,0,0,0,0|1,0,1]=4 4517 B14R0.68 CC(=O)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011215641 [0,2,0,0,0,0|0,0,2]=4 4518 B14R0.68 CC(=O)CCCSCCCCCC(=O)N 62a_100009817443_100011215641 [0,2,0,0,0,0|1,0,1]=4 4519 B14R0.68 CC(=O)CCCSCCCCCC(=O)N 62a_100011215641_100009817443 [0,2,0,0,0,0|1,0,1]=4 4520 B14R0.68 NC(=O)CCCCCNCCCC(=O)N 34a_100000739312_100009817443 [0,2,0,0,0,0|2,0,0]=4 4521 B14R0.68 NC(=O)CCCCCOCCC=C(F)F 34a_100000123541_200009816681 [0,2,0,0,0,0|2,0,0]=4 4522 B14R0.68 NC(=O)CCCCCOCCC=C(F)F 7a_100000123541_200009816681 [0,2,0,0,0,0|2,0,0]=4 4523 B14R0.68 NC(=O)CCCCCOCCCC(=O)N 34a_100000123541_100102525003 [0,2,0,0,0,0|2,0,0]=4 4524 B14R0.68 NC(=O)CCCCCOCCCC(=O)N 7a_100000123541_100102525003 [0,2,0,0,0,0|2,0,0]=4 4525 B14R0.68 NC(=O)CCCCCSCCC=C(F)F 62a_100009817443_200009816681 [0,2,0,0,0,0|2,0,0]=4 4526 B14R0.68 NC(=O)CCCCCSCCC=C(F)F 62a_200009816681_100009817443 [0,2,0,0,0,0|2,0,0]=4 4527 B14R0.68 NC(=O)CCCCCSCCCC(=O)N 62a_100009817443_100102525003 [0,2,0,0,0,0|2,0,0]=4 4528 B14R0.68 NC(=O)CCCCCSCCCC(=O)N 62a_100102525003_100009817443 [0,2,0,0,0,0|2,0,0]=4 4529 B14R0.68 NC(=O)CCCOCCCCCC(=O)[O-] 7a_100102619762_100102525003 [0,2,0,0,0,0|1,0,1]=4 4530 B14R0.68 O=C([O-])CCCCCOCCC=C(F)F 7a_100102619762_200009816681 [0,2,0,0,0,0|1,0,1]=4 4531 B14R0.88 C=CCCCCCCCNCC(C)(C)O 2230a_100000751335_100012355270 [0,2,0,0,0,0|1,0,1]=4 4532 B14R0.88 C=CCCCCCCCOCC(C)(C)O 34a_100000730831_100000764493 [0,2,0,0,0,0|1,0,1]=4 4533 B14R0.88 C=CCCCCCCCOCC(C)(C)O 7a_100000730831_100000764493 [0,2,0,0,0,0|1,0,1]=4 4534 B14R0.88 C=CCCCCCCCOCS(=O)(=O)[O-] 34a_100000730831_100009817235 [0,2,0,0,0,0|1,0,1]=4 4535 B14R0.88 C=CCCCCCCCSCC(C)(C)O 62a_100000764493_100012355270 [0,2,0,0,0,0|1,0,1]=4 4536 B14R0.88 C=CCCCCCCCSCC(C)(C)O 62a_100012355270_100000764493 [0,2,0,0,0,0|1,0,1]=4 4537 B14R0.88 C=CCCCCCCCSCS(=O)(=O)N 62a_100000741382_100012355270 [0,2,0,0,0,0|1,0,1]=4 4538 B14R0.88 C=CCCCCCCCSCS(=O)(=O)N 62a_100012355270_100000741382 [0,2,0,0,0,0|1,0,1]=4 4539 B14R0.88 C=CCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100012355270 [0,2,0,0,0,0|1,0,1]=4 4540 B14R0.88 C=CCCCCCCCSCS(=O)(=O)[O-] 62a_100012355270_100009817235 [0,2,0,0,0,0|1,0,1]=4 4541 B14R0.88 C=CCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100011215473 [0,2,0,0,0,0|1,0,1]=4 4542 B14R0.88 C=CCCCCCCNCCS(=O)(=O)C 34a_100000740961_100011215473 [0,2,0,0,0,0|1,0,1]=4 4543 B14R0.88 C=CCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100011215473 [0,2,0,0,0,0|1,0,1]=4 4544 B14R0.88 C=CCCCCCCNCCS(=O)(=O)N 34a_100000738205_100011215473 [0,2,0,0,0,0|1,0,1]=4 4545 B14R0.88 C=CCCCCCCOCCC(C)(C)O 34a_200011216477_100000702414 [0,2,0,0,0,0|1,0,1]=4 4546 B14R0.88 C=CCCCCCCOCCC(C)(C)O 7a_200011216477_100000702414 [0,2,0,0,0,0|1,0,1]=4 4547 B14R0.88 C=CCCCCCCOCCS(=O)(=O)C 34a_100000211924_100011215473 [0,2,0,0,0,0|1,0,1]=4 4548 B14R0.88 C=CCCCCCCOCCS(=O)(=O)C 34a_200011216477_100000731031 [0,2,0,0,0,0|1,0,1]=4 4549 B14R0.88 C=CCCCCCCOCCS(=O)(=O)C 7a_100000211924_100011215473 [0,2,0,0,0,0|1,0,1]=4 4550 B14R0.88 C=CCCCCCCOCCS(=O)(=O)C 7a_200011216477_100000230027 [0,2,0,0,0,0|1,0,1]=4 4551 B14R0.88 C=CCCCCCCOCCS(=O)(=O)N 34a_100012334274_100011215473 [0,2,0,0,0,0|1,0,1]=4 4552 B14R0.88 C=CCCCCCCOCCS(=O)(=O)[O-] 34a_200011216477_100000762736 [0,2,0,0,0,0|1,0,1]=4 4553 B14R0.88 C=CCCCCCCSCCC(C)(C)O 62a_100000702414_100011215473 [0,2,0,0,0,0|1,0,1]=4 4554 B14R0.88 C=CCCCCCCSCCC(C)(C)O 62a_100011215473_100000702414 [0,2,0,0,0,0|1,0,1]=4 4555 B14R0.88 C=CCCCCCCSCCS(=O)(=O)C 62a_100000731031_100011215473 [0,2,0,0,0,0|1,0,1]=4 4556 B14R0.88 C=CCCCCCCSCCS(=O)(=O)C 62a_100011215473_100000230027 [0,2,0,0,0,0|1,0,1]=4 4557 B14R0.88 C=CCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100011215473 [0,2,0,0,0,0|1,0,1]=4 4558 B14R0.88 C=CCCCCCCSCCS(=O)(=O)[O-] 62a_100011215473_100000762736 [0,2,0,0,0,0|1,0,1]=4 4559 B14R0.88 C=CCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000700193 [0,2,0,0,0,0|1,0,1]=4 4560 B14R0.88 C=CCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000700193 [0,2,0,0,0,0|1,0,1]=4 4561 B14R0.88 C=CCCCCCOCCCC(C)(C)O 34a_100011216702_100009888830 [0,2,0,0,0,0|1,0,1]=4 4562 B14R0.88 C=CCCCCCOCCCC(C)(C)O 7a_100011216702_100009888830 [0,2,0,0,0,0|1,0,1]=4 4563 B14R0.88 C=CCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000700193 [0,2,0,0,0,0|1,0,1]=4 4564 B14R0.88 C=CCCCCCOCCCS(=O)(=O)C 34a_100011216702_100000754308 [0,2,0,0,0,0|1,0,1]=4 4565 B14R0.88 C=CCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000700193 [0,2,0,0,0,0|1,0,1]=4 4566 B14R0.88 C=CCCCCCOCCCS(=O)(=O)C 7a_100011216702_100000754308 [0,2,0,0,0,0|1,0,1]=4 4567 B14R0.88 C=CCCCCCOCCCS(=O)(=O)N 34a_100011216702_100000750626 [0,2,0,0,0,0|1,0,1]=4 4568 B14R0.88 C=CCCCCCOCCCS(=O)(=O)N 7a_100011216702_100000750626 [0,2,0,0,0,0|1,0,1]=4 4569 B14R0.88 C=CCCCCCOCCCS(=O)(=O)[O-] 34a_100011216702_100009813499 [0,2,0,0,0,0|1,0,1]=4 4570 B14R0.88 C=CCCCCCSCCCC(C)(C)O 62a_100000700193_100009888830 [0,2,0,0,0,0|1,0,1]=4 4571 B14R0.88 C=CCCCCCSCCCC(C)(C)O 62a_100009888830_100000700193 [0,2,0,0,0,0|1,0,1]=4 4572 B14R0.88 C=CCCCCCSCCCS(=O)(=O)C 62a_100000700193_100000754308 [0,2,0,0,0,0|1,0,1]=4 4573 B14R0.88 C=CCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000700193 [0,2,0,0,0,0|1,0,1]=4 4574 B14R0.88 C=CCCCCCSCCCS(=O)(=O)N 62a_100000700193_100000750626 [0,2,0,0,0,0|1,0,1]=4 4575 B14R0.88 C=CCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000700193 [0,2,0,0,0,0|1,0,1]=4 4576 B14R0.88 C=CCCCCCSCCCS(=O)(=O)[O-] 62a_100000700193_100009813499 [0,2,0,0,0,0|1,0,1]=4 4577 B14R0.88 C=CCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000700193 [0,2,0,0,0,0|1,0,1]=4 4578 B14R0.88 C=CCCCNCCCCCC(C)(C)O 2230a_100000700776_100010402123 [0,2,0,0,0,0|1,0,1]=4 4579 B14R0.88 C=CCCCNCCCCCC(C)(C)O 34a_100000700776_100010402123 [0,2,0,0,0,0|1,0,1]=4 4580 B14R0.88 C=CCCCOCCCCCC(C)(C)O 34a_100000758997_100010402123 [0,2,0,0,0,0|1,0,1]=4 4581 B14R0.88 C=CCCCOCCCCCC(C)(C)O 7a_100000758997_100010402123 [0,2,0,0,0,0|1,0,1]=4 4582 B14R0.88 C=CCCCSCCCCCC(C)(C)O 62a_100010402123_100000757094 [0,2,0,0,0,0|1,0,1]=4 4583 B14R0.88 C=CCCCSCCCCCC(C)(C)O 62a_100011713584_100010402123 [0,2,0,0,0,0|1,0,1]=4 4584 B14R0.153 C=CCCC(=O)CCCCCCB(O)O 1458a_100000749702_100009817187 [0,2,0,0,0,0|1,0,1]=4 4585 B14R0.153 C=CCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000754431 [0,2,0,0,0,0|1,0,1]=4 4586 B14R0.153 C=CCCC(=O)CCCCCOC(=O)C 1458a_100000749702_100000033007 [0,2,0,0,0,0|1,0,1]=4 4587 B14R0.153 C=CCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000762624 [0,2,0,0,0,0|2,0,0]=4 4588 B14R0.153 C=CCCC(C)OCCCCCB(O)O 34a_100000765329_200009817188 [0,2,0,0,0,0|1,0,1]=4 4589 B14R0.153 C=CCCC(C)OCCCCCB(O)O 7a_100000765329_200009817188 [0,2,0,0,0,0|1,0,1]=4 4590 B14R0.153 C=CCCC(C)OCCCCCC(=O)N 34a_100000765329_100009817443 [0,2,0,0,0,0|1,0,0]=3 4591 B14R0.153 C=CCCC(C)OCCCCCC(=O)N 7a_100000765329_100009817443 [0,2,0,0,0,0|1,0,0]=3 4592 B14R0.153 C=CCCC(C)OCCCCOC(=O)C 34a_100000765329_100000033659 [0,2,0,0,0,0|2,0,0]=4 4593 B14R0.153 C=CCCC(C)OCCCCOC(=O)C 7a_100000765329_100000033659 [0,2,0,0,0,0|2,0,0]=4 4594 B14R0.153 C=CCCC(C)OCCCCSC(=O)C 34a_100000765329_200010402107 [0,2,0,0,0,0|2,0,0]=4 4595 B14R0.153 C=CCCC(C)OCCCCSC(=O)C 7a_100000765329_200010402107 [0,2,0,0,0,0|2,0,0]=4 4596 B14R0.153 C=CCCN(C)CCCCCCB(O)O 2230a_100020639649_100009817187 [0,2,0,0,0,0|1,0,1]=4 4597 B14R0.153 C=CCCN(C)CCCCCCB(O)O 269982a_100020639649_100009817187 [0,2,0,0,0,0|1,0,1]=4 4598 B14R0.153 C=CCCN(C)CCCCCOC(=O)C 2230a_100020639649_100009813381 [0,2,0,0,0,0|2,0,0]=4 4599 B14R0.153 C=CCCN(C)CCCCCOC(=O)C 269982a_100020639649_100000033007 [0,2,0,0,0,0|2,0,0]=4 4600 B14R0.231 C=CCCCC(=O)CCCCCB(O)O 1458a_100000766728_200009817188 [0,2,0,0,0,0|1,0,1]=4 4601 B14R0.231 C=CCCCC(=O)CCCCCC(=O)N 1458a_100000766728_100009817443 [0,2,0,0,0,0|1,0,0]=3 4602 B14R0.231 C=CCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000757094 [0,2,0,0,0,0|1,0,1]=4 4603 B14R0.231 C=CCCCC(=O)CCCCOC(=O)C 1458a_100000766728_100000033659 [0,2,0,0,0,0|1,0,1]=4 4604 B14R0.231 C=CCCCC(=O)CCCCSC(=O)C 1458a_100000766728_200010402107 [0,2,0,0,0,0|1,0,1]=4 4605 B14R0.231 C=CCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000766728 [0,2,0,0,0,0|1,0,1]=4 4606 B14R0.231 C=CCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000766728 [0,2,0,0,0,0|1,0,1]=4 4607 B14R0.231 C=CCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000766728 [0,2,0,0,0,0|1,0,1]=4 4608 B14R0.231 C=CCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000766728 [0,2,0,0,0,0|1,0,1]=4 4609 B14R0.231 C=CCSCC(=O)CCCCCC(=O)N 1458a_100000230395_100009817443 [0,2,0,0,0,0|1,0,1]=4 4610 B14R0.305 C=C(Br)CCOCCCCCC(=O)OC 34a_100009813270_100009816466 [0,2,0,0,0,0|1,0,0]=3 4611 B14R0.305 C=C(C)CCOCCCCCC(=O)OC 34a_100000074720_100000730704 [0,2,0,0,0,0|1,0,0]=3 4612 B14R0.305 C=C(C)CCOCCCCCC(=O)OC 34a_100000764851_100009816466 [0,2,0,0,0,0|1,0,0]=3 4613 B14R0.305 C=C(C)CCOCCCCCC(=O)OC 7a_100000074720_100000730704 [0,2,0,0,0,0|1,0,0]=3 4614 B14R0.305 C=C(C)CCSCCCCCC(=O)OC 62a_100000730704_100009816466 [0,2,0,0,0,0|1,0,0]=3 4615 B14R0.305 C=C(C)CCSCCCCCC(=O)OC 62a_100009816466_100000730704 [0,2,0,0,0,0|1,0,0]=3 4616 B14R0.305 C=C(C)COCCCCCCC(=O)OC 34a_100000210245_100009815986 [0,2,0,0,0,0|1,0,0]=3 4617 B14R0.305 C=C(C)COCCCCCCC(=O)OC 34a_100009863599_100000748629 [0,2,0,0,0,0|1,0,0]=3 4618 B14R0.305 C=C(C)COCCCCCCC(=O)OC 7a_100009863599_100000748629 [0,2,0,0,0,0|1,0,0]=3 4619 B14R0.305 C=C(C)CSCCCCCCC(=O)OC 62a_100000748629_100009815986 [0,2,0,0,0,0|1,0,0]=3 4620 B14R0.305 C=C(C)CSCCCCCCC(=O)OC 62a_100009815986_100000211660 [0,2,0,0,0,0|1,0,0]=3 4621 B14R0.305 C=C(F)COCCCCCCC(=O)OC 34a_100009863599_100009893438 [0,2,0,0,0,0|1,0,0]=3 4622 B14R0.305 C=C(F)COCCCCCCC(=O)OC 34a_200010262243_100009815986 [0,2,0,0,0,0|1,0,0]=3 4623 B14R0.305 C=C(F)COCCCCCCC(=O)OC 7a_100009863599_100000042424 [0,2,0,0,0,0|1,0,0]=3 4624 B14R0.305 C=C(F)CSCCCCCCC(=O)OC 62a_100000042424_100009815986 [0,2,0,0,0,0|1,0,0]=3 4625 B14R0.305 C=C(F)CSCCCCCCC(=O)OC 62a_100009815986_100000042424 [0,2,0,0,0,0|1,0,0]=3 4626 B14R0.305 C=CC(C)COCCCCCCB(O)O 34a_100011215527_100009817187 [0,2,0,0,0,0|1,0,1]=4 4627 B14R0.305 C=CC(C)COCCCCCCB(O)O 7a_100011215527_100009817187 [0,2,0,0,0,0|1,0,1]=4 4628 B14R0.305 C=CC(C)COCCCCCOC(=O)C 34a_100011215527_100000033007 [0,2,0,0,0,0|2,0,0]=4 4629 B14R0.305 C=CC(C)COCCCCCOC(=O)C 7a_100011215527_100000033007 [0,2,0,0,0,0|2,0,0]=4 4630 B14R0.305 C=CC(C)NCCOCCOCC(=O)O 269956a_100009854275_100011215867 [0,2,0,0,0,0|2,0,0]=4 4631 B14R0.305 C=CC(O)CNCCCCCNC(=O)C 2230a_200012022750_100000730141 [0,2,0,0,0,0|2,0,0]=4 4632 B14R0.305 C=CC(O)CNCCCCCNC(=O)C 34a_200012022750_100000730141 [0,2,0,0,0,0|2,0,0]=4 4633 B14R0.305 C=CC(O)CSCCCCCCB(O)O 62a_100000730141_100009817187 [0,2,0,0,0,0|1,0,1]=4 4634 B14R0.305 C=CC(O)CSCCCCCCB(O)O 62a_100009817187_100000730141 [0,2,0,0,0,0|1,0,1]=4 4635 B14R0.305 C=CC(O)CSCCCCCOC(=O)C 62a_100000033007_100000730141 [0,2,0,0,0,0|2,0,0]=4 4636 B14R0.305 C=CC(O)CSCCCCCOC(=O)C 62a_100000730141_100000033007 [0,2,0,0,0,0|2,0,0]=4 4637 B14R0.305 C=C[C@H](N)COCCCCCCB(O)O 34a_100016989147_100009817187 [0,2,0,0,0,0|1,0,1]=4 4638 B14R0.305 C=C[C@H](N)COCCCCCOC(=O)C 34a_100016989147_100000033007 [0,2,0,0,0,0|2,0,0]=4 4639 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000036616_200000210301 [0,2,0,0,0,0|0,0,1]=3 4640 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010282707 [0,2,0,0,0,0|0,0,1]=3 4641 B14R0.305 COC(=O)CCCCCCCCC(=O)[13CH3] 1458a_100000036616_200025704644 [0,2,0,0,0,0|0,0,1]=3 4642 B14R0.305 COC(=O)CCCCCCCCN(C)C 2230a_100102631434_100010282707 [0,2,0,0,0,0|1,0,1]=4 4643 B14R0.305 COC(=O)CCCCCCCCN(C)C 269982a_100102631434_100010282707 [0,2,0,0,0,0|1,0,1]=4 4644 B14R0.305 COC(=O)CCCCCCCNC(=O)C 188690a_100000687944_100015343762 [0,2,0,0,0,0|1,0,1]=4 4645 B14R0.305 COC(=O)CCCCCCNCC(=O)N 2230a_100000711301_100009815986 [0,2,0,0,0,0|2,0,0]=4 4646 B14R0.305 COC(=O)CCCCCCNCC(=O)O 269956a_100016091260_100009815986 [0,2,0,0,0,0|1,0,1]=4 4647 B14R0.305 COC(=O)CCCCCCOCC(=O)C 34a_100000211253_100009815986 [0,2,0,0,0,0|1,0,1]=4 4648 B14R0.305 COC(=O)CCCCCCOCC(=O)N 34a_100009863599_100000187820 [0,2,0,0,0,0|2,0,0]=4 4649 B14R0.305 COC(=O)CCCCCCOCC(=O)N 7a_100009863599_100000187820 [0,2,0,0,0,0|2,0,0]=4 4650 B14R0.305 COC(=O)CCCCCCOCC(=O)[O-] 34a_100009863599_100020667443 [0,2,0,0,0,0|2,0,0]=4 4651 B14R0.305 COC(=O)CCCCCCSCC(=O)N 62a_100000747473_100009815986 [0,2,0,0,0,0|2,0,0]=4 4652 B14R0.305 COC(=O)CCCCCCSCC(=O)N 62a_100009815986_100000747473 [0,2,0,0,0,0|2,0,0]=4 4653 B14R0.305 COC(=O)CCCCCCSCC(=O)[O-] 62a_100009815986_100020667443 [0,2,0,0,0,0|2,0,0]=4 4654 B14R0.305 COC(=O)CCCCCCSCC(=O)[O-] 62a_100020667443_100009815986 [0,2,0,0,0,0|2,0,0]=4 4655 B14R0.305 COC(=O)CCCCCOCCC(=O)C 34a_100000759926_100009816466 [0,2,0,0,0,0|1,0,1]=4 4656 B14R0.305 COC(=O)CCCCCOCCC(=O)C 7a_100000074720_100000053229 [0,2,0,0,0,0|1,0,1]=4 4657 B14R0.305 COC(=O)CCCCCOCCC(=O)C 7a_100000759926_100009816466 [0,2,0,0,0,0|1,0,1]=4 4658 B14R0.305 COC(=O)CCCCCOCCC(=O)N 34a_100000074720_100000731001 [0,2,0,0,0,0|2,0,0]=4 4659 B14R0.305 COC(=O)CCCCCOCCC(=O)N 34a_100000757172_100009816466 [0,2,0,0,0,0|2,0,0]=4 4660 B14R0.305 COC(=O)CCCCCOCCC(=O)N 7a_100000074720_100000744528 [0,2,0,0,0,0|2,0,0]=4 4661 B14R0.305 COC(=O)CCCCCOCCC(=O)N 7a_100000757172_100009816466 [0,2,0,0,0,0|2,0,0]=4 4662 B14R0.305 COC(=O)CCCCCSCCC(=O)C 62a_100000053229_100009816466 [0,2,0,0,0,0|1,0,1]=4 4663 B14R0.305 COC(=O)CCCCCSCCC(=O)C 62a_100009816466_100000053229 [0,2,0,0,0,0|1,0,1]=4 4664 B14R0.305 COC(=O)CCCCCSCCC(=O)N 62a_100000744528_100009816466 [0,2,0,0,0,0|2,0,0]=4 4665 B14R0.305 COC(=O)CCCCCSCCC(=O)N 62a_100009816466_100000744528 [0,2,0,0,0,0|2,0,0]=4 4666 B14R0.305 COC(=O)CCCCNCCCC(=O)N 34a_100000739312_100000204269 [0,2,0,0,0,0|2,0,0]=4 4667 B14R0.305 COC(=O)CCCCOCCCC(=O)C 34a_100000059025_100000685027 [0,2,0,0,0,0|1,0,1]=4 4668 B14R0.305 COC(=O)CCCCOCCCC(=O)C 34a_100000759063_100000204269 [0,2,0,0,0,0|1,0,1]=4 4669 B14R0.305 COC(=O)CCCCOCCCC(=O)C 7a_100000059025_100011215641 [0,2,0,0,0,0|1,0,1]=4 4670 B14R0.305 COC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000204269 [0,2,0,0,0,0|1,0,1]=4 4671 B14R0.305 COC(=O)CCCCOCCCC(=O)N 34a_100000059025_100102525003 [0,2,0,0,0,0|2,0,0]=4 4672 B14R0.305 COC(=O)CCCCOCCCC(=O)N 7a_100000059025_100102525003 [0,2,0,0,0,0|2,0,0]=4 4673 B14R0.305 COC(=O)CCCCSCCCC(=O)C 62a_100000204269_100011215641 [0,2,0,0,0,0|1,0,1]=4 4674 B14R0.305 COC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000204269 [0,2,0,0,0,0|1,0,1]=4 4675 B14R0.305 COC(=O)CCCCSCCCC(=O)N 62a_100000204269_100102525003 [0,2,0,0,0,0|2,0,0]=4 4676 B14R0.305 COC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000204269 [0,2,0,0,0,0|2,0,0]=4 4677 B14R0.305 COC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000742333 [0,2,0,0,0,0|2,0,0]=4 4678 B14R0.305 COC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000742333 [0,2,0,0,0,0|2,0,0]=4 4679 B14R0.305 COC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011218270 [0,2,0,0,0,0|2,0,0]=4 4680 B14R0.305 COC(=O)CCCSCCCCC(=O)C 62a_100000735457_100011218270 [0,2,0,0,0,0|1,0,1]=4 4681 B14R0.305 COC(=O)CCCSCCCCC(=O)C 62a_100011218270_100000735457 [0,2,0,0,0,0|1,0,1]=4 4682 B14R0.305 COC(=O)CCOCCCCCC(=O)N 34a_100000123541_100000742370 [0,2,0,0,0,0|2,0,0]=4 4683 B14R0.305 COC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000204255 [0,2,0,0,0,0|2,0,0]=4 4684 B14R0.305 COC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000204255 [0,2,0,0,0,0|2,0,0]=4 4685 B14R0.305 COC(=O)CCSCCCCCC(=O)N 62a_100000204255_100009817443 [0,2,0,0,0,0|2,0,0]=4 4686 B14R0.305 COC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000204255 [0,2,0,0,0,0|2,0,0]=4 4687 B14R0.337 C#CC(=O)CCCCCCCCCC=C 1458a_100000211873_100009814027 [0,2,0,0,0,0|1,0,0]=3 4688 B14R0.337 C#CC(O)CCCCCNCCCC=C 2230a_100000700776_200010408556 [0,2,0,0,0,0|1,0,1]=4 4689 B14R0.337 C#CC(O)CCCCCNCCCC=C 34a_100000700776_200010408556 [0,2,0,0,0,0|1,0,1]=4 4690 B14R0.337 C#CC(O)CCCCCOCCCC=C 34a_100000758997_200010408556 [0,2,0,0,0,0|1,0,1]=4 4691 B14R0.337 C#CC(O)CCCCCOCCCC=C 7a_100000758997_200010408556 [0,2,0,0,0,0|1,0,1]=4 4692 B14R0.337 C#CC(O)CCCCCSCCCC=C 62a_100011713584_200010408556 [0,2,0,0,0,0|1,0,1]=4 4693 B14R0.337 C#CC(O)CCCCCSCCCC=C 62a_200010408556_100000757094 [0,2,0,0,0,0|1,0,1]=4 4694 B14R0.337 C#CCCCCCCCOCC(=O)OC 34a_100000054614_100000747449 [0,2,0,0,0,0|0,0,2]=4 4695 B14R0.337 C#CCCCCCCCOCC(=O)OC 7a_100000054614_100000747449 [0,2,0,0,0,0|0,0,2]=4 4696 B14R0.337 C#CCCCCCCCSCC(=O)OC 62a_100000747449_100153394163 [0,2,0,0,0,0|0,0,2]=4 4697 B14R0.337 C#CCCCCCCCSCC(=O)OC 62a_100153394163_100000747449 [0,2,0,0,0,0|0,0,2]=4 4698 B14R0.337 C#CCCCCCCOCCC(=O)OC 34a_100011217361_100000742370 [0,2,0,0,0,0|0,0,2]=4 4699 B14R0.337 C#CCCCCCCOCCC(=O)OC 7a_100011217361_100000204255 [0,2,0,0,0,0|0,0,2]=4 4700 B14R0.337 C#CCCCCCCSCCC(=O)OC 62a_100000204255_100012276617 [0,2,0,0,0,0|0,0,2]=4 4701 B14R0.337 C#CCCCCCCSCCC(=O)OC 62a_100012276617_100000204255 [0,2,0,0,0,0|0,0,2]=4 4702 B14R0.337 C#CCCCCCOCCCC(=O)OC 34a_100000766912_100000742333 [0,2,0,0,0,0|0,0,2]=4 4703 B14R0.337 C#CCCCCCOCCCC(=O)OC 7a_100000766912_100011218270 [0,2,0,0,0,0|0,0,2]=4 4704 B14R0.337 C#CCCCCCSCCCC(=O)OC 62a_100011218270_100012094781 [0,2,0,0,0,0|0,0,2]=4 4705 B14R0.337 C#CCCCCCSCCCC(=O)OC 62a_100012094781_100011218270 [0,2,0,0,0,0|0,0,2]=4 4706 B14R0.337 C#CCCCCNCCCCC(=O)OC 2230a_100000706060_100000204269 [0,2,0,0,0,0|0,0,2]=4 4707 B14R0.337 C#CCCCCNCCCCC(=O)OC 34a_100000706060_100000204269 [0,2,0,0,0,0|0,0,2]=4 4708 B14R0.337 C#CCCCCOCCCCC(=O)OC 34a_100000059025_100010269958 [0,2,0,0,0,0|0,0,2]=4 4709 B14R0.337 C#CCCCCOCCCCC(=O)OC 34a_100000766709_100000204269 [0,2,0,0,0,0|0,0,2]=4 4710 B14R0.337 C#CCCCCOCCCCC(=O)OC 7a_100000059025_100010269958 [0,2,0,0,0,0|0,0,2]=4 4711 B14R0.337 C#CCCCCOCCCCC(=O)OC 7a_100000766709_100000204269 [0,2,0,0,0,0|0,0,2]=4 4712 B14R0.337 C#CCCCCSCCCCC(=O)OC 62a_100000204269_100010269958 [0,2,0,0,0,0|0,0,2]=4 4713 B14R0.337 C#CCCCCSCCCCC(=O)OC 62a_100010269958_100000204269 [0,2,0,0,0,0|0,0,2]=4 4714 B14R0.337 C#CCCCNCCCCCC(=O)OC 34a_100000718082_100009816466 [0,2,0,0,0,0|0,0,2]=4 4715 B14R0.337 C#CCCCOCCCCCC(=O)OC 34a_100000074720_100000695029 [0,2,0,0,0,0|0,0,2]=4 4716 B14R0.337 C#CCCCOCCCCCC(=O)OC 34a_100000215630_100009816466 [0,2,0,0,0,0|0,0,2]=4 4717 B14R0.337 C#CCCCOCCCCCC(=O)OC 7a_100000074720_100011215417 [0,2,0,0,0,0|0,0,2]=4 4718 B14R0.337 C#CCCCOCCCCCC(=O)OC 7a_100000215630_100009816466 [0,2,0,0,0,0|0,0,2]=4 4719 B14R0.337 C#CCCCSCCCCCC(=O)OC 62a_100009816466_100011215417 [0,2,0,0,0,0|0,0,2]=4 4720 B14R0.337 C#CCCCSCCCCCC(=O)OC 62a_100011215417_100009816466 [0,2,0,0,0,0|0,0,2]=4 4721 B14R0.337 C#CCCNCCCCCCC(=O)OC 34a_100000755551_100009815986 [0,2,0,0,0,0|0,0,2]=4 4722 B14R0.337 C#CCCOCCCCCCC(=O)OC 34a_100009863599_100000688953 [0,2,0,0,0,0|0,0,2]=4 4723 B14R0.337 C#CCCOCCCCCCC(=O)OC 34a_100011215631_100009815986 [0,2,0,0,0,0|0,0,2]=4 4724 B14R0.337 C#CCCOCCCCCCC(=O)OC 7a_100009863599_100000688953 [0,2,0,0,0,0|0,0,2]=4 4725 B14R0.337 C#CCCSCCCCCCC(=O)OC 62a_100000688953_100009815986 [0,2,0,0,0,0|0,0,2]=4 4726 B14R0.337 C#CCCSCCCCCCC(=O)OC 62a_100009815986_100000688953 [0,2,0,0,0,0|0,0,2]=4 4727 B14R0.337 C#CCNCCCCCCCC(=O)OC 34a_100000212058_100010004213 [0,2,0,0,0,0|0,0,2]=4 4728 B14R0.337 C#CCOCCCCCCCC(=O)OC 34a_100000210247_100010004213 [0,2,0,0,0,0|0,0,2]=4 4729 B14R0.337 C#CCOCCCCCCCC(=O)OC 34a_100011022521_100000184674 [0,2,0,0,0,0|0,0,2]=4 4730 B14R0.337 C#CCOCCCCCCCC(=O)OC 7a_100011022521_100000038162 [0,2,0,0,0,0|0,0,2]=4 4731 B14R0.337 C#CCSCCCCCCCC(=O)OC 62a_100000038162_100010004213 [0,2,0,0,0,0|0,0,2]=4 4732 B14R0.337 C/C=C/CCOCCCCCC(=O)OC 34a_100016278192_100009816466 [0,2,0,0,0,0|1,0,0]=3 4733 B14R0.337 C/C=C/COCCCCCCC(=O)OC 34a_100009863599_100102629194 [0,2,0,0,0,0|1,0,0]=3 4734 B14R0.337 C/C=C/COCCCCCCC(=O)OC 34a_100016270725_100009815986 [0,2,0,0,0,0|1,0,0]=3 4735 B14R0.337 C/C=C/COCCCCCCC(=O)OC 7a_100009863599_100102629194 [0,2,0,0,0,0|1,0,0]=3 4736 B14R0.337 C/C=C/CSCCCCCCC(=O)OC 62a_100009815986_100102629194 [0,2,0,0,0,0|1,0,0]=3 4737 B14R0.337 C/C=C/CSCCCCCCC(=O)OC 62a_100102629194_100009815986 [0,2,0,0,0,0|1,0,0]=3 4738 B14R0.337 C=CCCC/C=C/COCCC(=O)OC 34a_200016268473_100000742370 [0,2,0,0,0,0|0,0,2]=4 4739 B14R0.337 C=CCCC/C=C/COCCC(=O)OC 7a_200016268473_100000204255 [0,2,0,0,0,0|0,0,2]=4 4740 B14R0.337 C=CCCCCCCCCCC(=O)C=C 1458a_100000185746_100009814027 [0,2,0,0,0,0|1,0,0]=3 4741 B14R0.337 C=CCCCCCCCCCC(=O)CC 1458a_100000210414_100009814027 [0,2,0,0,0,0|1,0,0]=3 4742 B14R0.337 C=CCCCCCCCCCC(=O)CO 1458a_100000210174_100009814027 [0,2,0,0,0,0|0,0,0]=2 4743 B14R0.337 C=CCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011933949 [0,2,0,0,0,0|1,0,1]=4 4744 B14R0.337 C=CCCCCCCCCOC(C)CO 34a_100011215194_100012180447 [0,2,0,0,0,0|1,0,1]=4 4745 B14R0.337 C=CCCCCCCCCOC(C)CO 7a_100011215194_100012180447 [0,2,0,0,0,0|1,0,1]=4 4746 B14R0.337 C=CCCCCCCCCSC(C)CO 62a_100012180447_100011933949 [0,2,0,0,0,0|1,0,1]=4 4747 B14R0.337 C=CCCCCCCCCSC(C)OC 62a_100009879195_100011933949 [0,2,0,0,0,0|1,0,1]=4 4748 B14R0.337 C=CCCCCCCCCSC(C)OC 62a_100011933949_100009879195 [0,2,0,0,0,0|1,0,1]=4 4749 B14R0.337 C=CCCCCCCCCS[C@H](C)CO 62a_100011933949_100016084084 [0,2,0,0,0,0|1,0,1]=4 4750 B14R0.337 C=CCCCCCCCCS[C@H](C)CO 62a_100016084084_100011933949 [0,2,0,0,0,0|1,0,1]=4 4751 B14R0.337 C=CCCCCCCCNCC(=O)NC 2230a_100000693194_100012355270 [0,2,0,0,0,0|1,0,0]=3 4752 B14R0.337 C=CCCCCCCCNCC(C)CO 34a_100000744482_100012355270 [0,2,0,0,0,0|1,0,1]=4 4753 B14R0.337 C=CCCCCCCCNCC(O)CC 2230a_100011218483_100012355270 [0,2,0,0,0,0|1,0,1]=4 4754 B14R0.337 C=CCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100012355270 [0,2,0,0,0,0|1,0,1]=4 4755 B14R0.337 C=CCCCCCCCNC[C@@H](F)CO 34a_100015665980_100012355270 [0,2,0,0,0,0|1,0,1]=4 4756 B14R0.337 C=CCCCCCCCNC[C@H](O)CO 2230a_100020644852_100012355270 [0,2,0,0,0,0|0,0,2]=4 4757 B14R0.337 C=CCCCCCCCOCC(=C)C#N 34a_100000730831_100000694840 [0,2,0,0,0,0|2,0,0]=4 4758 B14R0.337 C=CCCCCCCCOCC(=O)CC 34a_100000725409_100012355270 [0,2,0,0,0,0|1,0,0]=3 4759 B14R0.337 C=CCCCCCCCOCC(=O)CC 7a_100000730831_100000747405 [0,2,0,0,0,0|1,0,0]=3 4760 B14R0.337 C=CCCCCCCCOCC(=O)NC 34a_100000730831_100000183359 [0,2,0,0,0,0|1,0,0]=3 4761 B14R0.337 C=CCCCCCCCOCC(=O)NC 34a_100000750040_100012355270 [0,2,0,0,0,0|1,0,0]=3 4762 B14R0.337 C=CCCCCCCCOCC(=O)NC 7a_100000730831_100000183359 [0,2,0,0,0,0|1,0,0]=3 4763 B14R0.337 C=CCCCCCCCOCC(=O)OC 34a_100000730831_100000747449 [0,2,0,0,0,0|0,0,0]=2 4764 B14R0.337 C=CCCCCCCCOCC(=O)OC 7a_100000730831_100000747449 [0,2,0,0,0,0|0,0,0]=2 4765 B14R0.337 C=CCCCCCCCOCC(C)OC 34a_100000690652_100012355270 [0,2,0,0,0,0|1,0,1]=4 4766 B14R0.337 C=CCCCCCCCOCC(O)C=C 34a_100000730831_100000730141 [0,2,0,0,0,0|1,0,1]=4 4767 B14R0.337 C=CCCCCCCCOCC(O)C=C 7a_100000730831_100000730141 [0,2,0,0,0,0|1,0,1]=4 4768 B14R0.337 C=CCCCCCCCOCC(O)CC 34a_100000730831_100011218378 [0,2,0,0,0,0|1,0,1]=4 4769 B14R0.337 C=CCCCCCCCOCC(O)CC 7a_100000730831_100011218378 [0,2,0,0,0,0|1,0,1]=4 4770 B14R0.337 C=CCCCCCCCOCC(O)CO 34a_100000730831_100011219619 [0,2,0,0,0,0|0,0,2]=4 4771 B14R0.337 C=CCCCCCCCOCC(O)CO 7a_100000730831_100011219619 [0,2,0,0,0,0|0,0,2]=4 4772 B14R0.337 C=CCCCCCCCOC[C@@H](C)CO 34a_100000730831_100000059175 [0,2,0,0,0,0|1,0,1]=4 4773 B14R0.337 C=CCCCCCCCOC[C@@H](C)CO 7a_100000730831_100000059175 [0,2,0,0,0,0|1,0,1]=4 4774 B14R0.337 C=CCCCCCCCOC[C@@H](O)CF 34a_100000730831_100015614560 [0,2,0,0,0,0|1,0,1]=4 4775 B14R0.337 C=CCCCCCCCOC[C@@H](O)CF 7a_100000730831_100015614560 [0,2,0,0,0,0|1,0,1]=4 4776 B14R0.337 C=CCCCCCCCOC[C@@H](O)CO 34a_100000730831_100009815848 [0,2,0,0,0,0|0,0,2]=4 4777 B14R0.337 C=CCCCCCCCOC[C@@H](O)CO 7a_100000730831_100009815848 [0,2,0,0,0,0|0,0,2]=4 4778 B14R0.337 C=CCCCCCCCSCC(=C)C#N 62a_100012355270_100000694840 [0,2,0,0,0,0|2,0,0]=4 4779 B14R0.337 C=CCCCCCCCSCC(=O)CC 62a_100000747405_100012355270 [0,2,0,0,0,0|1,0,0]=3 4780 B14R0.337 C=CCCCCCCCSCC(=O)CC 62a_100012355270_100000747405 [0,2,0,0,0,0|1,0,0]=3 4781 B14R0.337 C=CCCCCCCCSCC(=O)NC 62a_100000183359_100012355270 [0,2,0,0,0,0|1,0,0]=3 4782 B14R0.337 C=CCCCCCCCSCC(=O)NC 62a_100012355270_100000183359 [0,2,0,0,0,0|1,0,0]=3 4783 B14R0.337 C=CCCCCCCCSCC(=O)OC 62a_100000747449_100012355270 [0,2,0,0,0,0|0,0,0]=2 4784 B14R0.337 C=CCCCCCCCSCC(=O)OC 62a_100012355270_100000747449 [0,2,0,0,0,0|0,0,0]=2 4785 B14R0.337 C=CCCCCCCCSCC(O)C=C 62a_100000730141_100012355270 [0,2,0,0,0,0|1,0,1]=4 4786 B14R0.337 C=CCCCCCCCSCC(O)C=C 62a_100012355270_100000730141 [0,2,0,0,0,0|1,0,1]=4 4787 B14R0.337 C=CCCCCCCCSCC(O)CC 62a_100011218378_100012355270 [0,2,0,0,0,0|1,0,1]=4 4788 B14R0.337 C=CCCCCCCCSCC(O)CC 62a_100012355270_100011218378 [0,2,0,0,0,0|1,0,1]=4 4789 B14R0.337 C=CCCCCCCCSCC(O)CO 62a_100011219619_100012355270 [0,2,0,0,0,0|0,0,2]=4 4790 B14R0.337 C=CCCCCCCCSCC(O)CO 62a_100012355270_100011219619 [0,2,0,0,0,0|0,0,2]=4 4791 B14R0.337 C=CCCCCCCCSC[C@@H](C)CO 62a_100000059175_100012355270 [0,2,0,0,0,0|1,0,1]=4 4792 B14R0.337 C=CCCCCCCCSC[C@@H](C)CO 62a_100012355270_100000059175 [0,2,0,0,0,0|1,0,1]=4 4793 B14R0.337 C=CCCCCCCCSC[C@@H](O)CF 62a_100012355270_100015614560 [0,2,0,0,0,0|1,0,1]=4 4794 B14R0.337 C=CCCCCCCCSC[C@@H](O)CF 62a_100015614560_100012355270 [0,2,0,0,0,0|1,0,1]=4 4795 B14R0.337 C=CCCCCCCCSC[C@@H](O)CO 62a_100009815848_100012355270 [0,2,0,0,0,0|0,0,2]=4 4796 B14R0.337 C=CCCCCCCCSC[C@@H](O)CO 62a_100012355270_100009815848 [0,2,0,0,0,0|0,0,2]=4 4797 B14R0.337 C=CCCCCCCNCCC(=O)NC 2230a_100000738227_100011215473 [0,2,0,0,0,0|1,0,0]=3 4798 B14R0.337 C=CCCCCCCNCCC(=O)NC 34a_100000738227_100011215473 [0,2,0,0,0,0|1,0,0]=3 4799 B14R0.337 C=CCCCCCCNCCC(C)CO 2230a_106354213184_100011215473 [0,2,0,0,0,0|1,0,1]=4 4800 B14R0.337 C=CCCCCCCNCCC(C)CO 34a_106354213184_100011215473 [0,2,0,0,0,0|1,0,1]=4 4801 B14R0.337 C=CCCCCCCOCCC(=NO)N 34a_100000749954_100011215473 [0,2,0,0,0,0|1,0,0]=3 4802 B14R0.337 C=CCCCCCCOCCC(=O)NC 34a_100000754576_100011215473 [0,2,0,0,0,0|1,0,0]=3 4803 B14R0.337 C=CCCCCCCOCCC(=O)NC 34a_200011216477_100012179268 [0,2,0,0,0,0|1,0,0]=3 4804 B14R0.337 C=CCCCCCCOCCC(=O)NC 7a_200011216477_100000737683 [0,2,0,0,0,0|1,0,0]=3 4805 B14R0.337 C=CCCCCCCOCCC(=O)OC 34a_200011216477_100000742370 [0,2,0,0,0,0|0,0,0]=2 4806 B14R0.337 C=CCCCCCCOCCC(=O)OC 7a_200011216477_100000204255 [0,2,0,0,0,0|0,0,0]=2 4807 B14R0.337 C=CCCCCCCOCCC(C)OC 7a_100000764861_100011215473 [0,2,0,0,0,0|1,0,1]=4 4808 B14R0.337 C=CCCCCCCSCCC(=O)NC 62a_100000737683_100011215473 [0,2,0,0,0,0|1,0,0]=3 4809 B14R0.337 C=CCCCCCCSCCC(=O)NC 62a_100011215473_100000737683 [0,2,0,0,0,0|1,0,0]=3 4810 B14R0.337 C=CCCCCCCSCCC(=O)OC 62a_100000204255_100011215473 [0,2,0,0,0,0|0,0,0]=2 4811 B14R0.337 C=CCCCCCCSCCC(=O)OC 62a_100011215473_100000204255 [0,2,0,0,0,0|0,0,0]=2 4812 B14R0.337 C=CCCCCCCSCOC(=O)OC 62a_100011215473_100000139417 [0,2,0,0,0,0|1,0,0]=3 4813 B14R0.337 C=CCCCCCNCCCC(=O)NC 2230a_100000740002_100000700193 [0,2,0,0,0,0|1,0,0]=3 4814 B14R0.337 C=CCCCCCNCCCC(=O)NC 34a_100000740002_100000700193 [0,2,0,0,0,0|1,0,0]=3 4815 B14R0.337 C=CCCCCCNCCNC(=O)C=C 2230a_114873766552_100000700193 [0,2,0,0,0,0|2,0,0]=4 4816 B14R0.337 C=CCCCCCNCCNC(=O)CC 34a_100132302217_100000700193 [0,2,0,0,0,0|2,0,0]=4 4817 B14R0.337 C=CCCCCCNCCNC(=O)NC 34a_100015205895_100000700193 [0,2,0,0,0,0|2,0,0]=4 4818 B14R0.337 C=CCCCCCOC/C=C/C(=O)OC 34a_100011216702_100000742655 [0,2,0,0,0,0|0,0,2]=4 4819 B14R0.337 C=CCCCCCOC/C=C/C(=O)OC 7a_100011216702_100000742655 [0,2,0,0,0,0|0,0,2]=4 4820 B14R0.337 C=CCCCCCOCCCC(=O)NC 34a_100011216702_100000741757 [0,2,0,0,0,0|1,0,0]=3 4821 B14R0.337 C=CCCCCCOCCCC(=O)NC 7a_100011216702_100000741757 [0,2,0,0,0,0|1,0,0]=3 4822 B14R0.337 C=CCCCCCOCCCC(=O)NN 34a_100000211488_100000700193 [0,2,0,0,0,0|1,0,0]=3 4823 B14R0.337 C=CCCCCCOCCCC(=O)OC 34a_100011216702_100000742333 [0,2,0,0,0,0|0,0,0]=2 4824 B14R0.337 C=CCCCCCOCCCC(=O)OC 7a_100011216702_100011218270 [0,2,0,0,0,0|0,0,0]=2 4825 B14R0.337 C=CCCCCCOCCNC(=O)C=C 34a_100011304386_100000700193 [0,2,0,0,0,0|2,0,0]=4 4826 B14R0.337 C=CCCCCCOCCNC(=O)CC 34a_200000158885_100000700193 [0,2,0,0,0,0|2,0,0]=4 4827 B14R0.337 C=CCCCCCOCCNC(=O)CC 7a_200000158885_100000700193 [0,2,0,0,0,0|2,0,0]=4 4828 B14R0.337 C=CCCCCCOCCNC(=O)OC 34a_100000757965_100000700193 [0,2,0,0,0,0|1,0,0]=3 4829 B14R0.337 C=CCCCCCOCCOC(=O)C=C 34a_100011216702_100009813456 [0,2,0,0,0,0|2,0,0]=4 4830 B14R0.337 C=CCCCCCOCCOC(=O)C=C 7a_100011216702_100009813456 [0,2,0,0,0,0|2,0,0]=4 4831 B14R0.337 C=CCCCCCOCCOC(=O)CC 7a_200000031056_100000700193 [0,2,0,0,0,0|2,0,0]=4 4832 B14R0.337 C=CCCCCCOCCOC(=O)NC 34a_100011216702_200011997002 [0,2,0,0,0,0|2,0,0]=4 4833 B14R0.337 C=CCCCCCOCCOC(=O)NC 7a_100011216702_200011997002 [0,2,0,0,0,0|2,0,0]=4 4834 B14R0.337 C=CCCCCCOCCOC(=O)OC 34a_100010262106_100000700193 [0,2,0,0,0,0|1,0,0]=3 4835 B14R0.337 C=CCCCCCSC/C=C/C(=O)OC 62a_100000700193_100000742655 [0,2,0,0,0,0|0,0,2]=4 4836 B14R0.337 C=CCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000700193 [0,2,0,0,0,0|0,0,2]=4 4837 B14R0.337 C=CCCCCCSCCCC(=O)NC 62a_100000700193_100000741757 [0,2,0,0,0,0|1,0,0]=3 4838 B14R0.337 C=CCCCCCSCCCC(=O)NC 62a_100000741757_100000700193 [0,2,0,0,0,0|1,0,0]=3 4839 B14R0.337 C=CCCCCCSCCCC(=O)OC 62a_100000700193_100011218270 [0,2,0,0,0,0|0,0,0]=2 4840 B14R0.337 C=CCCCCCSCCCC(=O)OC 62a_100011218270_100000700193 [0,2,0,0,0,0|0,0,0]=2 4841 B14R0.337 C=CCCCCCSCCOC(=O)C=C 62a_100000700193_100009813456 [0,2,0,0,0,0|2,0,0]=4 4842 B14R0.337 C=CCCCCCSCCOC(=O)C=C 62a_100009813456_100000700193 [0,2,0,0,0,0|2,0,0]=4 4843 B14R0.337 C=CCCCCCSCCOC(=O)NC 62a_100000700193_200011997002 [0,2,0,0,0,0|2,0,0]=4 4844 B14R0.337 C=CCCCCCSCCOC(=O)NC 62a_200011997002_100000700193 [0,2,0,0,0,0|2,0,0]=4 4845 B14R0.337 C=CCCCCNCCCCC(=O)OC 2230a_100000703577_100000204269 [0,2,0,0,0,0|0,0,0]=2 4846 B14R0.337 C=CCCCCNCCCCC(=O)OC 34a_100000703577_100000204269 [0,2,0,0,0,0|0,0,0]=2 4847 B14R0.337 C=CCCCCNCCOCC(=O)OC 2230a_100000703577_100000090808 [0,2,0,0,0,0|1,0,0]=3 4848 B14R0.337 C=CCCCCNCCOCC(=O)OC 34a_100000703577_100000090808 [0,2,0,0,0,0|1,0,0]=3 4849 B14R0.337 C=CCCCCOCCCCC(=O)OC 34a_100000059025_100011215482 [0,2,0,0,0,0|0,0,0]=2 4850 B14R0.337 C=CCCCCOCCCCC(=O)OC 34a_100000766645_100000204269 [0,2,0,0,0,0|0,0,0]=2 4851 B14R0.337 C=CCCCCOCCCCC(=O)OC 7a_100000059025_100011215482 [0,2,0,0,0,0|0,0,0]=2 4852 B14R0.337 C=CCCCCOCCCCC(=O)OC 7a_100000766645_100000204269 [0,2,0,0,0,0|0,0,0]=2 4853 B14R0.337 C=CCCCCOCCOCC(=O)OC 34a_100000766645_100000090808 [0,2,0,0,0,0|1,0,0]=3 4854 B14R0.337 C=CCCCCOCCOCC(=O)OC 7a_100000766645_100000090808 [0,2,0,0,0,0|1,0,0]=3 4855 B14R0.337 C=CCCCCSCCCCC(=O)OC 62a_100000204269_100011215482 [0,2,0,0,0,0|0,0,0]=2 4856 B14R0.337 C=CCCCCSCCCCC(=O)OC 62a_100011215482_100000204269 [0,2,0,0,0,0|0,0,0]=2 4857 B14R0.337 C=CCCCCSCCOCC(=O)OC 62a_100000090808_100011215482 [0,2,0,0,0,0|1,0,0]=3 4858 B14R0.337 C=CCCCCSCCOCC(=O)OC 62a_100011215482_100000090808 [0,2,0,0,0,0|1,0,0]=3 4859 B14R0.337 C=CCCCNCCCCCC(=O)OC 2230a_100000700776_100009816466 [0,2,0,0,0,0|0,0,0]=2 4860 B14R0.337 C=CCCCNCCCCCC(=O)OC 34a_100000700776_100009816466 [0,2,0,0,0,0|0,0,0]=2 4861 B14R0.337 C=CCCCOCCCCCC(=O)OC 34a_100000074720_100000757094 [0,2,0,0,0,0|0,0,0]=2 4862 B14R0.337 C=CCCCOCCCCCC(=O)OC 34a_100000758997_100009816466 [0,2,0,0,0,0|0,0,0]=2 4863 B14R0.337 C=CCCCOCCCCCC(=O)OC 7a_100000074720_100000757094 [0,2,0,0,0,0|0,0,0]=2 4864 B14R0.337 C=CCCCOCCCCCC(=O)OC 7a_100000758997_100009816466 [0,2,0,0,0,0|0,0,0]=2 4865 B14R0.337 C=CCCCOCCCCNC(=O)C=C 34a_100014118770_100000757094 [0,2,0,0,0,0|2,0,0]=4 4866 B14R0.337 C=CCCCSCCCCCC(=O)OC 62a_100009816466_100000757094 [0,2,0,0,0,0|0,0,0]=2 4867 B14R0.337 C=CCCCSCCCCCC(=O)OC 62a_100011713584_100009816466 [0,2,0,0,0,0|0,0,0]=2 4868 B14R0.337 C=CCCNCCCCCCC(=O)OC 2230a_100015191253_100009815986 [0,2,0,0,0,0|0,0,0]=2 4869 B14R0.337 C=CCCOCCCCCCC(=O)OC 34a_100009863599_100000754431 [0,2,0,0,0,0|0,0,0]=2 4870 B14R0.337 C=CCCOCCCCCCC(=O)OC 34a_100011205117_100009815986 [0,2,0,0,0,0|0,0,0]=2 4871 B14R0.337 C=CCCOCCCCCCC(=O)OC 7a_100009863599_100000754431 [0,2,0,0,0,0|0,0,0]=2 4872 B14R0.337 C=CCCOCCCCCOC(=O)C=C 7a_200011023508_100000754431 [0,2,0,0,0,0|2,0,0]=4 4873 B14R0.337 C=CCCSCCCCCCC(=O)OC 62a_100000754431_100009815986 [0,2,0,0,0,0|0,0,0]=2 4874 B14R0.337 C=CCCSCCCCCCC(=O)OC 62a_100009815986_100000754431 [0,2,0,0,0,0|0,0,0]=2 4875 B14R0.337 C=CCNCCCCCCCC(=O)OC 2230a_100020586998_100010004213 [0,2,0,0,0,0|0,0,0]=2 4876 B14R0.337 C=CCNCCCCCCOC(=O)C=C 2230a_100020586998_100009894100 [0,2,0,0,0,0|2,0,0]=4 4877 B14R0.337 C=CCOCCCCCCCC(=O)OC 34a_100011022521_100015514636 [0,2,0,0,0,0|0,0,0]=2 4878 B14R0.337 C=CCOCCCCCCCC(=O)OC 34a_200000210373_100010004213 [0,2,0,0,0,0|0,0,0]=2 4879 B14R0.337 C=CCOCCCCCCCC(=O)OC 7a_100011022521_100015514636 [0,2,0,0,0,0|0,0,0]=2 4880 B14R0.337 C=CCOCCCCCCOC(=O)C=C 34a_200000210373_100009894100 [0,2,0,0,0,0|2,0,0]=4 4881 B14R0.337 C=CCOCCOCCCCC(=O)OC 34a_100000037705_100000204269 [0,2,0,0,0,0|1,0,0]=3 4882 B14R0.337 C=CCOCCOCCCCC(=O)OC 7a_100000037705_100000204269 [0,2,0,0,0,0|1,0,0]=3 4883 B14R0.337 C=CCOCCOCCOCC(=O)OC 34a_100000037705_100000090808 [0,2,0,0,0,0|2,0,0]=4 4884 B14R0.337 C=CCOCCOCCOCC(=O)OC 34a_100000065479_100000747449 [0,2,0,0,0,0|2,0,0]=4 4885 B14R0.337 C=CCOCCOCCOCC(=O)OC 34a_100011023656_100015514636 [0,2,0,0,0,0|2,0,0]=4 4886 B14R0.337 C=CCOCCOCCOCC(=O)OC 7a_100000037705_100000090808 [0,2,0,0,0,0|2,0,0]=4 4887 B14R0.337 C=CCOCCOCCOCC(=O)OC 7a_100000065479_100000747449 [0,2,0,0,0,0|2,0,0]=4 4888 B14R0.337 C=CCOCCOCCOCC(=O)OC 7a_100011023656_100015514636 [0,2,0,0,0,0|2,0,0]=4 4889 B14R0.337 C=CCSCCCCCCCC(=O)OC 62a_100000210623_100010004213 [0,2,0,0,0,0|0,0,0]=2 4890 B14R0.337 C=CCSCCCCCCCC(=O)OC 62a_100010004213_100000210623 [0,2,0,0,0,0|0,0,0]=2 4891 B14R0.337 C=CCSCCCCCCOC(=O)C=C 62a_100000210623_100009894100 [0,2,0,0,0,0|2,0,0]=4 4892 B14R0.337 C=CCSCCCCCCOC(=O)C=C 62a_100009894100_100000210623 [0,2,0,0,0,0|2,0,0]=4 4893 B14R0.337 C=COCCCCOCCCC(=O)NC 34a_100000031558_100000741757 [0,2,0,0,0,0|2,0,0]=4 4894 B14R0.337 C=COCCCCOCCCC(=O)NC 7a_100000031558_100000741757 [0,2,0,0,0,0|2,0,0]=4 4895 B14R0.337 C=COCCCCOCCCC(=O)OC 34a_100000031558_100000742333 [0,2,0,0,0,0|1,0,0]=3 4896 B14R0.337 C=COCCCCOCCCC(=O)OC 7a_100000031558_100011218270 [0,2,0,0,0,0|1,0,0]=3 4897 B14R0.337 C=COCCCNCCCCC(=O)OC 2230a_100000210767_100000204269 [0,2,0,0,0,0|1,0,0]=3 4898 B14R0.337 C=COCCCNCCCCC(=O)OC 34a_100000210767_100000204269 [0,2,0,0,0,0|1,0,0]=3 4899 B14R0.337 C=COCCCNCCOCC(=O)OC 2230a_100000210767_100000090808 [0,2,0,0,0,0|2,0,0]=4 4900 B14R0.337 C=COCCCNCCOCC(=O)OC 34a_100000210767_100000090808 [0,2,0,0,0,0|2,0,0]=4 4901 B14R0.337 C=COCCOCCCCCC(=O)OC 34a_100000033082_100009816466 [0,2,0,0,0,0|1,0,0]=3 4902 B14R0.337 C=COCCOCCCCCC(=O)OC 34a_100000074720_100000039644 [0,2,0,0,0,0|1,0,0]=3 4903 B14R0.337 C=COCCOCCCCCC(=O)OC 7a_100000074720_100000039644 [0,2,0,0,0,0|1,0,0]=3 4904 B14R0.337 C=COCCOCCOCCC(=O)OC 34a_100000039918_100000742370 [0,2,0,0,0,0|2,0,0]=4 4905 B14R0.337 C=COCCOCCOCCC(=O)OC 7a_100000039918_100000204255 [0,2,0,0,0,0|2,0,0]=4 4906 B14R0.337 C=COCCSCCCCCC(=O)OC 62a_100000039644_100009816466 [0,2,0,0,0,0|1,0,0]=3 4907 B14R0.337 C=COCCSCCCCCC(=O)OC 62a_100009816466_100000039644 [0,2,0,0,0,0|1,0,0]=3 4908 B14R0.337 CC=CCCCOCCCCC(=O)OC 34a_100020645299_100000204269 [0,2,0,0,0,0|1,0,0]=3 4909 B14R0.337 CC=CCCCOCCOCC(=O)OC 34a_100020645299_100000090808 [0,2,0,0,0,0|2,0,0]=4 4910 B14R0.337 CC=CCOCCCCCCC(=O)OC 34a_100009863599_100000070051 [0,2,0,0,0,0|1,0,0]=3 4911 B14R0.337 CC=CCOCCCCCCC(=O)OC 7a_100009863599_100000070051 [0,2,0,0,0,0|1,0,0]=3 4912 B14R0.337 CC=CCSCCCCCCC(=O)OC 62a_100000070051_100009815986 [0,2,0,0,0,0|1,0,0]=3 4913 B14R0.337 CC=CCSCCCCCCC(=O)OC 62a_100009815986_100000070051 [0,2,0,0,0,0|1,0,0]=3 4914 B14R0.337 CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215454 [0,2,0,0,0,0|0,0,2]=4 4915 B14R0.337 CCCCCCCCCCNC(=O)CO 240690a_100000684558_100000210174 [0,2,0,0,0,0|0,0,2]=4 4916 B14R0.337 CCCCCCCCCCNC(=O)CO 527a_100000684558_100000210174 [0,2,0,0,0,0|0,0,2]=4 4917 B14R0.337 CCCCCCCCCNCC(=O)OC 2230a_100000212291_100000747449 [0,2,0,0,0,0|0,0,2]=4 4918 B14R0.337 CCCCCCCCCNCC(=O)OC 34a_100000212291_100000747449 [0,2,0,0,0,0|0,0,2]=4 4919 B14R0.337 CCCCCCCCCOCC(=O)OC 34a_100000210712_100000747449 [0,2,0,0,0,0|0,0,2]=4 4920 B14R0.337 CCCCCCCCCOCC(=O)OC 7a_100000210712_100000747449 [0,2,0,0,0,0|0,0,2]=4 4921 B14R0.337 CCCCCCCCCSCC(=O)OC 62a_100000747449_100000210670 [0,2,0,0,0,0|0,0,2]=4 4922 B14R0.337 CCCCCCCCNCCC(=O)OC 2230a_100000229939_100000204255 [0,2,0,0,0,0|0,0,2]=4 4923 B14R0.337 CCCCCCCCNCCC(=O)OC 34a_100000229939_100000742370 [0,2,0,0,0,0|0,0,2]=4 4924 B14R0.337 CCCCCCCCOCCC(=O)OC 34a_100000210232_100000742370 [0,2,0,0,0,0|0,0,2]=4 4925 B14R0.337 CCCCCCCCOCCC(=O)OC 7a_100000210232_100000204255 [0,2,0,0,0,0|0,0,2]=4 4926 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000204255_100000210317 [0,2,0,0,0,0|0,0,2]=4 4927 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000210759_100000204255 [0,2,0,0,0,0|0,0,2]=4 4928 B14R0.337 CCCCCCCNCCCC(=O)OC 2230a_100000229938_100011218270 [0,2,0,0,0,0|0,0,2]=4 4929 B14R0.337 CCCCCCCOCCCC(=O)OC 34a_100000210272_100000742333 [0,2,0,0,0,0|0,0,2]=4 4930 B14R0.337 CCCCCCCOCCCC(=O)OC 7a_100000210272_100011218270 [0,2,0,0,0,0|0,0,2]=4 4931 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100000210614_100011218270 [0,2,0,0,0,0|0,0,2]=4 4932 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100011218270_100000210316 [0,2,0,0,0,0|0,0,2]=4 4933 B14R0.337 CCCCCCNCCCCC(=O)OC 2230a_100000210581_100000204269 [0,2,0,0,0,0|0,0,2]=4 4934 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000059025_100000210314 [0,2,0,0,0,0|0,0,2]=4 4935 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000210259_100000204269 [0,2,0,0,0,0|0,0,2]=4 4936 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000059025_100000210314 [0,2,0,0,0,0|0,0,2]=4 4937 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000210259_100000204269 [0,2,0,0,0,0|0,0,2]=4 4938 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000204269_100000210757 [0,2,0,0,0,0|0,0,2]=4 4939 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000210314_100000204269 [0,2,0,0,0,0|0,0,2]=4 4940 B14R0.337 CCCCCNCCCCCC(=O)OC 2230a_100000209983_100009816466 [0,2,0,0,0,0|0,0,2]=4 4941 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000074720_100000718602 [0,2,0,0,0,0|0,0,2]=4 4942 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000210253_100009816466 [0,2,0,0,0,0|0,0,2]=4 4943 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000074720_100000210326 [0,2,0,0,0,0|0,0,2]=4 4944 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000210253_100009816466 [0,2,0,0,0,0|0,0,2]=4 4945 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100000210326_100009816466 [0,2,0,0,0,0|0,0,2]=4 4946 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100009816466_100000210326 [0,2,0,0,0,0|0,0,2]=4 4947 B14R0.337 CCCCNCCCCCCC(=O)OC 2230a_100000102301_100009815986 [0,2,0,0,0,0|0,0,2]=4 4948 B14R0.337 CCCCNCCCCCCC(=O)OC 7a_106832991798_100009815986 [0,2,0,0,0,0|0,0,2]=4 4949 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100000210227_100009815986 [0,2,0,0,0,0|0,0,2]=4 4950 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100009863599_100000210210 [0,2,0,0,0,0|0,0,2]=4 4951 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100000210227_100009815986 [0,2,0,0,0,0|0,0,2]=4 4952 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100009863599_100000210211 [0,2,0,0,0,0|0,0,2]=4 4953 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100000210211_100009815986 [0,2,0,0,0,0|0,0,2]=4 4954 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100009815986_100000210210 [0,2,0,0,0,0|0,0,2]=4 4955 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100000210258_100010004213 [0,2,0,0,0,0|0,0,2]=4 4956 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100011022521_100000210303 [0,2,0,0,0,0|0,0,2]=4 4957 B14R0.337 CCCOCCCCCCCC(=O)OC 7a_100011022521_100000210303 [0,2,0,0,0,0|0,0,2]=4 4958 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100000210303_100010004213 [0,2,0,0,0,0|0,0,2]=4 4959 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100010004213_100000210303 [0,2,0,0,0,0|0,0,2]=4 4960 B14R0.337 CCNCCCCCCCCC(=O)OC 2230a_100015525214_100010282707 [0,2,0,0,0,0|0,0,2]=4 4961 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100000035544_100000210202 [0,2,0,0,0,0|0,0,2]=4 4962 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100121572206_100010282707 [0,2,0,0,0,0|0,0,2]=4 4963 B14R0.337 CCOCCCCCCCCC(=O)OC 7a_100000035544_100000210202 [0,2,0,0,0,0|0,0,2]=4 4964 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100000210202_100010282707 [0,2,0,0,0,0|0,0,2]=4 4965 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210202 [0,2,0,0,0,0|0,0,2]=4 4966 B14R0.337 CNC(=O)CCCNCCCCCC=O 2230a_100000740002_100000139337 [0,2,0,0,0,0|2,0,0]=4 4967 B14R0.337 CNC(=O)CCCSCCCCCC=O 62a_100000139337_100000741757 [0,2,0,0,0,0|2,0,0]=4 4968 B14R0.337 CNC(=O)CCCSCCCCCC=O 62a_100000741757_100000139337 [0,2,0,0,0,0|2,0,0]=4 4969 B14R0.337 CNCCCCCCCCCC(=O)OC 2230a_106832991635_100009813843 [0,2,0,0,0,0|0,0,2]=4 4970 B14R0.337 CNCCCCCCCCCC(=O)OC 34a_100102657272_100009813843 [0,2,0,0,0,0|0,0,2]=4 4971 B14R0.337 CNCCCCCCCCCC(=O)OC 7a_106832991635_100009813843 [0,2,0,0,0,0|0,0,2]=4 4972 B14R0.337 CNCCCCCOCCCC(=O)OC 34a_100000722520_100000742333 [0,2,0,0,0,0|1,0,1]=4 4973 B14R0.337 CNCCCOCCCCCC(=O)OC 34a_100000213112_100009816466 [0,2,0,0,0,0|1,0,1]=4 4974 B14R0.337 COC(=O)CCCCCCCCCSC 62a_200000210301_100009813843 [0,2,0,0,0,0|0,0,2]=4 4975 B14R0.337 COC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009813843 [0,2,0,0,0,0|0,0,2]=4 4976 B14R0.337 COC(=O)CCCCCCCCOCF 34a_100000035544_100015361967 [0,2,0,0,0,0|1,0,1]=4 4977 B14R0.337 COC(=O)CCCCCCCCOCF 7a_100000035544_100015361967 [0,2,0,0,0,0|1,0,1]=4 4978 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100010282707_100015361967 [0,2,0,0,0,0|1,0,1]=4 4979 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100015361967_100010282707 [0,2,0,0,0,0|1,0,1]=4 4980 B14R0.337 COC(=O)CCCCCCCNCCF 34a_100000724931_100010004213 [0,2,0,0,0,0|1,0,1]=4 4981 B14R0.337 COC(=O)CCCCCCCNCCO 2230a_100016997473_100010004213 [0,2,0,0,0,0|1,0,1]=4 4982 B14R0.337 COC(=O)CCCCCCCNCCO 34a_100016990907_100010004213 [0,2,0,0,0,0|1,0,1]=4 4983 B14R0.337 COC(=O)CCCCCCCOCC#N 7a_100011022521_100011215382 [0,2,0,0,0,0|1,0,1]=4 4984 B14R0.337 COC(=O)CCCCCCCOCC=O 34a_100011022521_200009817547 [0,2,0,0,0,0|1,0,0]=3 4985 B14R0.337 COC(=O)CCCCCCCOCC=O 7a_100011022521_200015260668 [0,2,0,0,0,0|1,0,0]=3 4986 B14R0.337 COC(=O)CCCCCCCOCCBr 34a_100000211926_100010004213 [0,2,0,0,0,0|1,0,1]=4 4987 B14R0.337 COC(=O)CCCCCCCOCCF 34a_100011022521_100011217306 [0,2,0,0,0,0|1,0,1]=4 4988 B14R0.337 COC(=O)CCCCCCCOCCF 7a_100011022521_100011217306 [0,2,0,0,0,0|1,0,1]=4 4989 B14R0.337 COC(=O)CCCCCCCOCCN 34a_100000210304_100010004213 [0,2,0,0,0,0|1,0,1]=4 4990 B14R0.337 COC(=O)CCCCCCCOCCO 34a_100011022521_100000211926 [0,2,0,0,0,0|1,0,1]=4 4991 B14R0.337 COC(=O)CCCCCCCOCCO 7a_100011022521_100000211926 [0,2,0,0,0,0|1,0,1]=4 4992 B14R0.337 COC(=O)CCCCCCCOCSC 34a_100011022521_100011218213 [0,2,0,0,0,0|1,0,1]=4 4993 B14R0.337 COC(=O)CCCCCCCSCC#N 62a_100010004213_100011215382 [0,2,0,0,0,0|1,0,1]=4 4994 B14R0.337 COC(=O)CCCCCCCSCC#N 62a_100011215382_100010004213 [0,2,0,0,0,0|1,0,1]=4 4995 B14R0.337 COC(=O)CCCCCCCSCC=O 62a_100010004213_200015260668 [0,2,0,0,0,0|1,0,0]=3 4996 B14R0.337 COC(=O)CCCCCCCSCC=O 62a_200015260668_100010004213 [0,2,0,0,0,0|1,0,0]=3 4997 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100010004213_100011217306 [0,2,0,0,0,0|1,0,1]=4 4998 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100011217306_100010004213 [0,2,0,0,0,0|1,0,1]=4 4999 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100000211926_100010004213 [0,2,0,0,0,0|1,0,1]=4 5000 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100010004213_100000211926 [0,2,0,0,0,0|1,0,1]=4 5001 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100010004213_100011218213 [0,2,0,0,0,0|1,0,1]=4 5002 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100011218213_100010004213 [0,2,0,0,0,0|1,0,1]=4 5003 B14R0.337 COC(=O)CCCCCCNCCCF 2230a_100015189416_100009815986 [0,2,0,0,0,0|1,0,1]=4 5004 B14R0.337 COC(=O)CCCCCCNCCCF 34a_100015189416_100009815986 [0,2,0,0,0,0|1,0,1]=4 5005 B14R0.337 COC(=O)CCCCCCNCCSC 2230a_100020590264_100009815986 [0,2,0,0,0,0|1,0,1]=4 5006 B14R0.337 COC(=O)CCCCCCOCCC#N 7a_100009863599_100000184422 [0,2,0,0,0,0|1,0,1]=4 5007 B14R0.337 COC(=O)CCCCCCOCCCBr 34a_100011217188_100009815986 [0,2,0,0,0,0|1,0,1]=4 5008 B14R0.337 COC(=O)CCCCCCOCCCCl 34a_100000230001_100009815986 [0,2,0,0,0,0|1,0,1]=4 5009 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100000759539_100009815986 [0,2,0,0,0,0|1,0,1]=4 5010 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100009863599_100011934791 [0,2,0,0,0,0|1,0,1]=4 5011 B14R0.337 COC(=O)CCCCCCOCCCF 7a_100009863599_100011934791 [0,2,0,0,0,0|1,0,1]=4 5012 B14R0.337 COC(=O)CCCCCCOCCCN 34a_100000182051_100009815986 [0,2,0,0,0,0|1,0,1]=4 5013 B14R0.337 COC(=O)CCCCCCOCCCO 34a_100009863599_100000230001 [0,2,0,0,0,0|1,0,1]=4 5014 B14R0.337 COC(=O)CCCCCCOCCCO 7a_100009863599_100011215043 [0,2,0,0,0,0|1,0,1]=4 5015 B14R0.337 COC(=O)CCCCCCOCCON 34a_100000700252_100009815986 [0,2,0,0,0,0|2,0,0]=4 5016 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100000230434_100009815986 [0,2,0,0,0,0|1,0,1]=4 5017 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100009863599_100000212216 [0,2,0,0,0,0|1,0,1]=4 5018 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100000230434_100009815986 [0,2,0,0,0,0|1,0,1]=4 5019 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100009863599_100000212216 [0,2,0,0,0,0|1,0,1]=4 5020 B14R0.337 COC(=O)CCCCCCSCCC#N 62a_100009815986_100011215226 [0,2,0,0,0,0|1,0,1]=4 5021 B14R0.337 COC(=O)CCCCCCSCCC#N 62a_100011215226_100009815986 [0,2,0,0,0,0|1,0,1]=4 5022 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100009815986_100011934791 [0,2,0,0,0,0|1,0,1]=4 5023 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100011934791_100009815986 [0,2,0,0,0,0|1,0,1]=4 5024 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100009815986_100011215043 [0,2,0,0,0,0|1,0,1]=4 5025 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100011215043_100009815986 [0,2,0,0,0,0|1,0,1]=4 5026 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100000212216_100009815986 [0,2,0,0,0,0|1,0,1]=4 5027 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100009815986_100000751147 [0,2,0,0,0,0|1,0,1]=4 5028 B14R0.337 COC(=O)CCCCCNCCCCO 2230a_100000750430_100009816466 [0,2,0,0,0,0|1,0,1]=4 5029 B14R0.337 COC(=O)CCCCCNCCCCO 34a_100000750430_100009816466 [0,2,0,0,0,0|1,0,1]=4 5030 B14R0.337 COC(=O)CCCCCNCCCSC 2230a_100000749238_100009816466 [0,2,0,0,0,0|1,0,1]=4 5031 B14R0.337 COC(=O)CCCCCOCCCC#N 7a_100000074720_100000687738 [0,2,0,0,0,0|1,0,1]=4 5032 B14R0.337 COC(=O)CCCCCOCCCC=O 7a_100000074720_200011292268 [0,2,0,0,0,0|1,0,0]=3 5033 B14R0.337 COC(=O)CCCCCOCCCCBr 34a_100011216708_100009816466 [0,2,0,0,0,0|1,0,1]=4 5034 B14R0.337 COC(=O)CCCCCOCCCCCl 34a_100000210776_100009816466 [0,2,0,0,0,0|1,0,1]=4 5035 B14R0.337 COC(=O)CCCCCOCCCCCl 7a_100000210776_100009816466 [0,2,0,0,0,0|1,0,1]=4 5036 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100000074720_100000729493 [0,2,0,0,0,0|1,0,1]=4 5037 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100011995726_100009816466 [0,2,0,0,0,0|1,0,1]=4 5038 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100000074720_100000729493 [0,2,0,0,0,0|1,0,1]=4 5039 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100011995726_100009816466 [0,2,0,0,0,0|1,0,1]=4 5040 B14R0.337 COC(=O)CCCCCOCCCCI 34a_200012148704_100009816466 [0,2,0,0,0,0|1,0,1]=4 5041 B14R0.337 COC(=O)CCCCCOCCCCN 34a_100000750430_100009816466 [0,2,0,0,0,0|1,0,1]=4 5042 B14R0.337 COC(=O)CCCCCOCCCCO 34a_100000074720_100011216708 [0,2,0,0,0,0|1,0,1]=4 5043 B14R0.337 COC(=O)CCCCCOCCCCO 7a_100000074720_100000210776 [0,2,0,0,0,0|1,0,1]=4 5044 B14R0.337 COC(=O)CCCCCOCCCSC 34a_100000690336_100009816466 [0,2,0,0,0,0|1,0,1]=4 5045 B14R0.337 COC(=O)CCCCCOCCCSC 7a_100000690336_100009816466 [0,2,0,0,0,0|1,0,1]=4 5046 B14R0.337 COC(=O)CCCCCSCCCC#N 62a_100000687738_100009816466 [0,2,0,0,0,0|1,0,1]=4 5047 B14R0.337 COC(=O)CCCCCSCCCC#N 62a_100009816466_100000687738 [0,2,0,0,0,0|1,0,1]=4 5048 B14R0.337 COC(=O)CCCCCSCCCC=O 62a_100009816466_200011292268 [0,2,0,0,0,0|1,0,0]=3 5049 B14R0.337 COC(=O)CCCCCSCCCC=O 62a_200011292268_100009816466 [0,2,0,0,0,0|1,0,0]=3 5050 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100000729493_100009816466 [0,2,0,0,0,0|1,0,1]=4 5051 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100009816466_100000729493 [0,2,0,0,0,0|1,0,1]=4 5052 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100000210776_100009816466 [0,2,0,0,0,0|1,0,1]=4 5053 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100009816466_100000210776 [0,2,0,0,0,0|1,0,1]=4 5054 B14R0.337 COC(=O)CCCCNCCCCCO 2230a_100000762737_100000204269 [0,2,0,0,0,0|1,0,1]=4 5055 B14R0.337 COC(=O)CCCCNCCCCCO 34a_100000762737_100000204269 [0,2,0,0,0,0|1,0,1]=4 5056 B14R0.337 COC(=O)CCCCOCCCCC#N 7a_100000059025_100000211819 [0,2,0,0,0,0|1,0,1]=4 5057 B14R0.337 COC(=O)CCCCOCCCCC=O 7a_100000059025_100000139335 [0,2,0,0,0,0|1,0,0]=3 5058 B14R0.337 COC(=O)CCCCOCCCCCBr 34a_100000746331_100000204269 [0,2,0,0,0,0|1,0,1]=4 5059 B14R0.337 COC(=O)CCCCOCCCCCBr 7a_100000746331_100000204269 [0,2,0,0,0,0|1,0,1]=4 5060 B14R0.337 COC(=O)CCCCOCCCCCCl 34a_100000746330_100000204269 [0,2,0,0,0,0|1,0,1]=4 5061 B14R0.337 COC(=O)CCCCOCCCCCCl 7a_100000746330_100000204269 [0,2,0,0,0,0|1,0,1]=4 5062 B14R0.337 COC(=O)CCCCOCCCCCF 34a_100000059025_100000729378 [0,2,0,0,0,0|1,0,1]=4 5063 B14R0.337 COC(=O)CCCCOCCCCCF 7a_100000059025_100000729378 [0,2,0,0,0,0|1,0,1]=4 5064 B14R0.337 COC(=O)CCCCOCCCCCI 34a_200012148887_100000204269 [0,2,0,0,0,0|1,0,1]=4 5065 B14R0.337 COC(=O)CCCCOCCCCCI 7a_200012148887_100000204269 [0,2,0,0,0,0|1,0,1]=4 5066 B14R0.337 COC(=O)CCCCOCCCCCN 34a_100000762737_100000204269 [0,2,0,0,0,0|1,0,1]=4 5067 B14R0.337 COC(=O)CCCCOCCCCCO 34a_100000059025_100000746330 [0,2,0,0,0,0|1,0,1]=4 5068 B14R0.337 COC(=O)CCCCOCCCCCO 7a_100000059025_100000746330 [0,2,0,0,0,0|1,0,1]=4 5069 B14R0.337 COC(=O)CCCCOCCCCSC 34a_100011217163_100000204269 [0,2,0,0,0,0|1,0,1]=4 5070 B14R0.337 COC(=O)CCCCOCCCCSC 7a_100011217163_100000204269 [0,2,0,0,0,0|1,0,1]=4 5071 B14R0.337 COC(=O)CCCCSCCCCC#N 62a_100000204269_100000211819 [0,2,0,0,0,0|1,0,1]=4 5072 B14R0.337 COC(=O)CCCCSCCCCC#N 62a_100011219923_100000204269 [0,2,0,0,0,0|1,0,1]=4 5073 B14R0.337 COC(=O)CCCCSCCCCC=O 62a_100000139335_100000204269 [0,2,0,0,0,0|1,0,0]=3 5074 B14R0.337 COC(=O)CCCCSCCCCC=O 62a_100000204269_100000139335 [0,2,0,0,0,0|1,0,0]=3 5075 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000204269_100000729378 [0,2,0,0,0,0|1,0,1]=4 5076 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000729378_100000204269 [0,2,0,0,0,0|1,0,1]=4 5077 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000204269_100000746330 [0,2,0,0,0,0|1,0,1]=4 5078 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000746330_100000204269 [0,2,0,0,0,0|1,0,1]=4 5079 B14R0.337 COC(=O)CCCNCCCCCCO 2230a_100000686447_100011218270 [0,2,0,0,0,0|1,0,1]=4 5080 B14R0.337 COC(=O)CCCNCCCCCCO 34a_100000686447_100000742333 [0,2,0,0,0,0|1,0,1]=4 5081 B14R0.337 COC(=O)CCCOCCCCCCBr 34a_100011215345_100000742333 [0,2,0,0,0,0|1,0,1]=4 5082 B14R0.337 COC(=O)CCCOCCCCCCBr 7a_100011215345_100011218270 [0,2,0,0,0,0|1,0,1]=4 5083 B14R0.337 COC(=O)CCCOCCCCCCCl 34a_100000766143_100000742333 [0,2,0,0,0,0|1,0,1]=4 5084 B14R0.337 COC(=O)CCCOCCCCCCCl 7a_100000766143_100011218270 [0,2,0,0,0,0|1,0,1]=4 5085 B14R0.337 COC(=O)CCCOCCCCCCF 34a_100000732779_100000742333 [0,2,0,0,0,0|1,0,1]=4 5086 B14R0.337 COC(=O)CCCOCCCCCCF 7a_100000732779_100011218270 [0,2,0,0,0,0|1,0,1]=4 5087 B14R0.337 COC(=O)CCCOCCCCCCN 34a_100000686447_100000742333 [0,2,0,0,0,0|1,0,1]=4 5088 B14R0.337 COC(=O)CCCSCCCCCC#N 62a_100009813376_100011218270 [0,2,0,0,0,0|1,0,1]=4 5089 B14R0.337 COC(=O)CCCSCCCCCC#N 62a_100011218270_100009813376 [0,2,0,0,0,0|1,0,1]=4 5090 B14R0.337 COC(=O)CCCSCCCCCC=O 62a_100000139337_100011218270 [0,2,0,0,0,0|1,0,0]=3 5091 B14R0.337 COC(=O)CCCSCCCCCC=O 62a_100011218270_100000139337 [0,2,0,0,0,0|1,0,0]=3 5092 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100011218270_100015922095 [0,2,0,0,0,0|1,0,1]=4 5093 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100015922095_100011218270 [0,2,0,0,0,0|1,0,1]=4 5094 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100000766143_100011218270 [0,2,0,0,0,0|1,0,1]=4 5095 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100011218270_100000766143 [0,2,0,0,0,0|1,0,1]=4 5096 B14R0.337 COC(=O)CCNCCCCCCCO 2230a_100011996573_100000204255 [0,2,0,0,0,0|1,0,1]=4 5097 B14R0.337 COC(=O)CCNCCCCCCCO 34a_100011996573_100000742370 [0,2,0,0,0,0|1,0,1]=4 5098 B14R0.337 COC(=O)CCOCCCCCCCBr 34a_100000760002_100000742370 [0,2,0,0,0,0|1,0,1]=4 5099 B14R0.337 COC(=O)CCOCCCCCCCBr 7a_100000760002_100000204255 [0,2,0,0,0,0|1,0,1]=4 5100 B14R0.337 COC(=O)CCOCCCCCCCN 34a_100011996573_100000742370 [0,2,0,0,0,0|1,0,1]=4 5101 B14R0.337 COC(=O)CCSCCCCCCC#N 62a_100000204255_100009813337 [0,2,0,0,0,0|1,0,1]=4 5102 B14R0.337 COC(=O)CCSCCCCCCC#N 62a_100009813337_100000204255 [0,2,0,0,0,0|1,0,1]=4 5103 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000204255_100000760002 [0,2,0,0,0,0|1,0,1]=4 5104 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000760002_100000204255 [0,2,0,0,0,0|1,0,1]=4 5105 B14R0.337 COC(=O)CNCCCCCCCCO 2230a_102515433106_100000747449 [0,2,0,0,0,0|1,0,1]=4 5106 B14R0.337 COC(=O)CNCCCCCCCCO 34a_102515433106_100000747449 [0,2,0,0,0,0|1,0,1]=4 5107 B14R0.337 COC(=O)COCCCCCCCCBr 34a_100009813846_100000747449 [0,2,0,0,0,0|1,0,1]=4 5108 B14R0.337 COC(=O)COCCCCCCCCBr 7a_100009813846_100000747449 [0,2,0,0,0,0|1,0,1]=4 5109 B14R0.337 COC(=O)COCCCCCCCCCl 34a_100000033203_100000747449 [0,2,0,0,0,0|1,0,1]=4 5110 B14R0.337 COC(=O)COCCCCCCCCCl 7a_100000033203_100000747449 [0,2,0,0,0,0|1,0,1]=4 5111 B14R0.337 COC(=O)COCCCCCCCCN 34a_102515433106_100000747449 [0,2,0,0,0,0|1,0,1]=4 5112 B14R0.337 COC(=O)COCCSCCCCC=O 62a_100000090808_100000139335 [0,2,0,0,0,0|2,0,0]=4 5113 B14R0.337 COC(=O)COCCSCCCCC=O 62a_100000139335_100000090808 [0,2,0,0,0,0|2,0,0]=4 5114 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000033203_100000747449 [0,2,0,0,0,0|1,0,1]=4 5115 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000747449_100000033203 [0,2,0,0,0,0|1,0,1]=4 5116 B14R0.337 COCCCCCCCCCC(=O)OC 34a_100138415774_100009813843 [0,2,0,0,0,0|0,0,2]=4 5117 B14R0.337 COCCCCCCOCCC(=O)OC 34a_200012092642_100000742370 [0,2,0,0,0,0|1,0,1]=4 5118 B14R0.337 COCCCCCCOCCC(=O)OC 7a_200012092642_100000204255 [0,2,0,0,0,0|1,0,1]=4 5119 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100000204255_100011998445 [0,2,0,0,0,0|1,0,1]=4 5120 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100011998445_100000204255 [0,2,0,0,0,0|1,0,1]=4 5121 B14R0.337 COCCCCCNCCCC(=O)OC 2230a_100000747528_100011218270 [0,2,0,0,0,0|1,0,1]=4 5122 B14R0.337 COCCCCCNCCCC(=O)OC 34a_100000747528_100000742333 [0,2,0,0,0,0|1,0,1]=4 5123 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000059025_100000755781 [0,2,0,0,0,0|1,0,1]=4 5124 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000740925_100000204269 [0,2,0,0,0,0|1,0,1]=4 5125 B14R0.337 COCCCCOCCCCC(=O)OC 7a_100000059025_100000730899 [0,2,0,0,0,0|1,0,1]=4 5126 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000204269_100000730899 [0,2,0,0,0,0|1,0,1]=4 5127 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000730899_100000204269 [0,2,0,0,0,0|1,0,1]=4 5128 B14R0.337 COCCCNCCCCCC(=O)OC 34a_100150723488_100009816466 [0,2,0,0,0,0|1,0,1]=4 5129 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000074720_100000740836 [0,2,0,0,0,0|1,0,1]=4 5130 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000740835_100009816466 [0,2,0,0,0,0|1,0,1]=4 5131 B14R0.337 COCCCOCCCCCC(=O)OC 7a_100000074720_100000740836 [0,2,0,0,0,0|1,0,1]=4 5132 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100000709357_100009816466 [0,2,0,0,0,0|1,0,1]=4 5133 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100009816466_100000709357 [0,2,0,0,0,0|1,0,1]=4 5134 B14R0.337 COCCNCCCCCCC(=O)OC 2230a_100000209980_100009815986 [0,2,0,0,0,0|1,0,1]=4 5135 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100000210237_100009815986 [0,2,0,0,0,0|1,0,1]=4 5136 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100009863599_100011201679 [0,2,0,0,0,0|1,0,1]=4 5137 B14R0.337 COCCOCCCCCCC(=O)OC 7a_100009863599_100000233755 [0,2,0,0,0,0|1,0,1]=4 5138 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100000233755_100009815986 [0,2,0,0,0,0|1,0,1]=4 5139 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100009815986_100000233755 [0,2,0,0,0,0|1,0,1]=4 5140 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100000766300_100010004213 [0,2,0,0,0,0|1,0,1]=4 5141 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100010004213_100000766300 [0,2,0,0,0,0|1,0,1]=4 5142 B14R0.337 O=C(CO)CCCCCCCCCCO 1458a_100000210174_100009813290 [0,2,0,0,0,0|0,0,2]=4 5143 B14R0.337 O=C(CO)NCCCCCCCCCO 240690a_100000078944_100000210174 [0,2,0,0,0,0|1,0,1]=4 5144 B14R0.340 C#CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100153394163 [0,2,0,0,0,0|0,0,2]=4 5145 B14R0.340 C#CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100012276617 [0,2,0,0,0,0|0,0,2]=4 5146 B14R0.340 C#CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100012276617 [0,2,0,0,0,0|0,0,2]=4 5147 B14R0.340 C=CCCCCCCCCC(=O)C(=C)C 1458a_100000185857_100011933949 [0,2,0,0,0,0|1,0,0]=3 5148 B14R0.340 C=CCCCCCCCCC(=O)C(C)C 1458a_100000210198_100011933949 [0,2,0,0,0,0|1,0,0]=3 5149 B14R0.340 C=CCCCCCCCCC(=O)C(C)C 1458a_100000211349_100000210206 [0,2,0,0,0,0|1,0,0]=3 5150 B14R0.340 C=CCCCCCCCCC(=O)C(C)F 1458a_100000062450_100011933949 [0,2,0,0,0,0|1,0,0]=3 5151 B14R0.340 C=CCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011933949 [0,2,0,0,0,0|0,0,0]=2 5152 B14R0.340 C=CCCCCCCCCC(=O)N(C)C 11a_100102631434_100000211349 [0,2,0,0,0,0|1,0,0]=3 5153 B14R0.340 C=CCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000211349 [0,2,0,0,0,0|1,0,0]=3 5154 B14R0.340 C=CCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000211349 [0,2,0,0,0,0|1,0,0]=3 5155 B14R0.340 C=CCCCCCCCCC(=O)N(C)C 527a_100102631434_100000211349 [0,2,0,0,0,0|1,0,0]=3 5156 B14R0.340 C=CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011933949 [0,2,0,0,0,0|0,0,0]=2 5157 B14R0.340 C=CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011933949 [0,2,0,0,0,0|0,0,0]=2 5158 B14R0.340 C=CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012355270 [0,2,0,0,0,0|0,0,0]=2 5159 B14R0.340 C=CCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100012355270 [0,2,0,0,0,0|1,0,0]=3 5160 B14R0.340 C=CCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100012355270 [0,2,0,0,0,0|1,0,0]=3 5161 B14R0.340 C=CCCCCCCCOC(C)C(=O)C 34a_100000212229_100012355270 [0,2,0,0,0,0|1,0,0]=3 5162 B14R0.340 C=CCCCCCCCOC(C)C(=O)C 7a_100000730831_100000179758 [0,2,0,0,0,0|1,0,0]=3 5163 B14R0.340 C=CCCCCCCCOC(C)C(=O)N 34a_100000730831_100000702099 [0,2,0,0,0,0|1,0,0]=3 5164 B14R0.340 C=CCCCCCCCOC(C)C(=O)N 7a_100000730831_100000702099 [0,2,0,0,0,0|1,0,0]=3 5165 B14R0.340 C=CCCCCCCCOC(F)C(=O)N 34a_100000730831_100009813875 [0,2,0,0,0,0|1,0,0]=3 5166 B14R0.340 C=CCCCCCCCOC(F)C(=O)N 7a_100000730831_100009813875 [0,2,0,0,0,0|1,0,0]=3 5167 B14R0.340 C=CCCCCCCCOC(F)C(=O)[O-] 34a_100000730831_100020610796 [0,2,0,0,0,0|0,0,1]=3 5168 B14R0.340 C=CCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100012355270 [0,2,0,0,0,0|0,0,1]=3 5169 B14R0.340 C=CCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100012355270 [0,2,0,0,0,0|1,0,0]=3 5170 B14R0.340 C=CCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100012355270 [0,2,0,0,0,0|1,0,0]=3 5171 B14R0.340 C=CCCCCCCCSC(C)C(=O)C 62a_100009814033_100012355270 [0,2,0,0,0,0|1,0,0]=3 5172 B14R0.340 C=CCCCCCCCSC(C)C(=O)C 62a_100012355270_100009814033 [0,2,0,0,0,0|1,0,0]=3 5173 B14R0.340 C=CCCCCCCCSC(C)C(=O)N 62a_100000702099_100012355270 [0,2,0,0,0,0|1,0,0]=3 5174 B14R0.340 C=CCCCCCCCSC(C)C(=O)N 62a_100012355270_100000702099 [0,2,0,0,0,0|1,0,0]=3 5175 B14R0.340 C=CCCCCCCCSC(F)C(=O)N 62a_100009813875_100012355270 [0,2,0,0,0,0|1,0,0]=3 5176 B14R0.340 C=CCCCCCCCSC(F)C(=O)N 62a_100012355270_100009813875 [0,2,0,0,0,0|1,0,0]=3 5177 B14R0.340 C=CCCCCCCCSC(F)C(=O)[O-] 62a_100012355270_100020610796 [0,2,0,0,0,0|0,0,1]=3 5178 B14R0.340 C=CCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100012355270 [0,2,0,0,0,0|0,0,1]=3 5179 B14R0.340 C=CCCCCCCNCC(=O)N(C)C 2230a_100015183351_100011215473 [0,2,0,0,0,0|2,0,0]=4 5180 B14R0.340 C=CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011215473 [0,2,0,0,0,0|0,0,0]=2 5181 B14R0.340 C=CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011215473 [0,2,0,0,0,0|0,0,0]=2 5182 B14R0.340 C=CCCCCCCOCC(=O)C(=O)C 34a_200011216477_100011261029 [0,2,0,0,0,0|1,0,1]=4 5183 B14R0.340 C=CCCCCCCOCC(=O)C(C)C 34a_200011216477_100000753385 [0,2,0,0,0,0|2,0,0]=4 5184 B14R0.340 C=CCCCCCCOCC(=O)C(C)C 7a_200011216477_100000753385 [0,2,0,0,0,0|2,0,0]=4 5185 B14R0.340 C=CCCCCCCOCC(=O)N(C)C 34a_200011216477_100000692301 [0,2,0,0,0,0|2,0,0]=4 5186 B14R0.340 C=CCCCCCCOCC(=O)N(C)C 7a_200011216477_100000692301 [0,2,0,0,0,0|2,0,0]=4 5187 B14R0.340 C=CCCCCCCOCC(C)C(=O)C 34a_100000032740_100011215473 [0,2,0,0,0,0|1,0,0]=3 5188 B14R0.340 C=CCCCCCCOCC(C)C(=O)C 7a_100000032740_100011215473 [0,2,0,0,0,0|1,0,0]=3 5189 B14R0.340 C=CCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100011215473 [0,2,0,0,0,0|1,0,1]=4 5190 B14R0.340 C=CCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100011215473 [0,2,0,0,0,0|1,0,1]=4 5191 B14R0.340 C=CCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011215473 [0,2,0,0,0,0|1,0,0]=3 5192 B14R0.340 C=CCCCCCCSCC(=O)C(=O)C 62a_100011215473_100011261029 [0,2,0,0,0,0|1,0,1]=4 5193 B14R0.340 C=CCCCCCCSCC(=O)C(=O)C 62a_100011261029_100011215473 [0,2,0,0,0,0|1,0,1]=4 5194 B14R0.340 C=CCCCCCCSCC(=O)C(C)C 62a_100000753385_100011215473 [0,2,0,0,0,0|2,0,0]=4 5195 B14R0.340 C=CCCCCCCSCC(=O)C(C)C 62a_100011215473_100000753385 [0,2,0,0,0,0|2,0,0]=4 5196 B14R0.340 C=CCCCCCCSCC(=O)N(C)C 62a_100000692301_100011215473 [0,2,0,0,0,0|2,0,0]=4 5197 B14R0.340 C=CCCCCCCSCC(=O)N(C)C 62a_100011215473_100000692301 [0,2,0,0,0,0|2,0,0]=4 5198 B14R0.340 C=CCCCCCNCCC(=O)N(C)C 2230a_100000738053_100000700193 [0,2,0,0,0,0|2,0,0]=4 5199 B14R0.340 C=CCCCCCOCCC(=O)N(C)C 34a_200000747469_100000700193 [0,2,0,0,0,0|2,0,0]=4 5200 B14R0.340 C=CCCCCCOCCC(=O)N(C)C 7a_100011216702_100000737620 [0,2,0,0,0,0|2,0,0]=4 5201 B14R0.340 C=CCCCCCSCCC(=O)N(C)C 62a_100000700193_100000737620 [0,2,0,0,0,0|2,0,0]=4 5202 B14R0.340 C=CCCCCCSCCC(=O)N(C)C 62a_100000737620_100000700193 [0,2,0,0,0,0|2,0,0]=4 5203 B14R0.340 C=CCCCCNCCCC(=O)N(C)C 2230a_100000703577_100000737642 [0,2,0,0,0,0|2,0,0]=4 5204 B14R0.340 C=CCCCCNCCCC(=O)N(C)C 2230a_200000744827_100011215482 [0,2,0,0,0,0|2,0,0]=4 5205 B14R0.340 C=CCCCCOCCCC(=O)N(C)C 7a_100000766645_100000737642 [0,2,0,0,0,0|2,0,0]=4 5206 B14R0.340 C=CCCCCSCCCC(=O)N(C)C 62a_100000737642_100011215482 [0,2,0,0,0,0|2,0,0]=4 5207 B14R0.340 C=CCCCCSCCCC(=O)N(C)C 62a_100011215482_100000737642 [0,2,0,0,0,0|2,0,0]=4 5208 B14R0.340 C=CCCCNCCCCC(=O)N(C)C 34a_100000700776_100000752486 [0,2,0,0,0,0|2,0,0]=4 5209 B14R0.340 C=CCCCOCCCCC(=O)N(C)C 34a_100000758997_100000752486 [0,2,0,0,0,0|2,0,0]=4 5210 B14R0.340 C=CCCCOCCCCC(=O)N(C)C 7a_100000758997_100000752486 [0,2,0,0,0,0|2,0,0]=4 5211 B14R0.340 C=CCCCSCCCCC(=O)N(C)C 62a_100000752486_100000757094 [0,2,0,0,0,0|2,0,0]=4 5212 B14R0.340 C=CCCCSCCCCC(=O)N(C)C 62a_100011713584_100000752486 [0,2,0,0,0,0|2,0,0]=4 5213 B14R0.340 CC(CNCCCCCCC#N)C(=O)O 269956a_100000749485_100009813337 [0,2,0,0,0,0|1,0,1]=4 5214 B14R0.340 CC(CNCCCCCCCO)C(=O)O 269956a_100000749485_100000760002 [0,2,0,0,0,0|1,0,1]=4 5215 B14R0.340 CCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210319 [0,2,0,0,0,0|0,0,2]=4 5216 B14R0.340 CCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210319 [0,2,0,0,0,0|0,0,2]=4 5217 B14R0.340 CCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210319 [0,2,0,0,0,0|0,0,2]=4 5218 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210670 [0,2,0,0,0,0|0,0,2]=4 5219 B14R0.340 CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210759 [0,2,0,0,0,0|0,0,2]=4 5220 B14R0.340 CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210759 [0,2,0,0,0,0|0,0,2]=4 5221 B14R0.340 COCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011998445 [0,2,0,0,0,0|1,0,1]=4 5222 B14R0.340 COCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011998445 [0,2,0,0,0,0|1,0,1]=4 5223 B14R0.340 C[C@@H](O)C(=O)CCCCCCCCCO 1458a_100000717761_100009813782 [0,2,0,0,0,0|1,0,1]=4 5224 B14R0.340 C[C@H](NCCCCCCCCO)C(=O)O 269956a_100000743915_100000033203 [0,2,0,0,0,0|1,0,1]=4 5225 B14R0.340 C[C@H](O)C(=O)CCCCCCCCCO 1458a_217856618621_100009813782 [0,2,0,0,0,0|1,0,1]=4 5226 B14R0.340 N#CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100009813337 [0,2,0,0,0,0|1,0,1]=4 5227 B14R0.340 O=C(CCCCCCCCCO)C(O)O 1458a_100000233687_100009813782 [0,2,0,0,0,0|1,0,1]=4 5228 B14R0.340 O=C(O)C(F)CNCCCCCCCO 269956a_100000084737_100000760002 [0,2,0,0,0,0|1,0,1]=4 5229 B14R0.344 C=CCCCCCCC(=O)CCC(=C)C 1458a_100011809334_100000730704 [0,2,0,0,0,0|2,0,0]=4 5230 B14R0.344 C=CCCCCCCC(=O)CCC(=C)C 1458a_200000688413_100011215473 [0,2,0,0,0,0|2,0,0]=4 5231 B14R0.344 C=CCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100011215473 [0,2,0,0,0,0|1,0,0]=3 5232 B14R0.344 C=CCCCCCCC(=O)CCC(C)O 1458a_100011809334_100012276601 [0,2,0,0,0,0|1,0,1]=4 5233 B14R0.344 C=CCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011215473 [0,2,0,0,0,0|1,0,1]=4 5234 B14R0.344 C=CCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100011215473 [0,2,0,0,0,0|1,0,1]=4 5235 B14R0.344 C=CCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100011215473 [0,2,0,0,0,0|1,0,1]=4 5236 B14R0.344 C=CCCCCCCC(=O)COC(=O)C 1458a_100000183556_100011215473 [0,2,0,0,0,0|1,0,1]=4 5237 B14R0.344 C=CCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100011215473 [0,2,0,0,0,0|1,0,1]=4 5238 B14R0.344 C=CCCCCCCC(=O)NCC(=O)N 11a_100000711301_100011809334 [0,2,0,0,0,0|1,0,1]=4 5239 B14R0.344 C=CCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100011809334 [0,2,0,0,0,0|1,0,1]=4 5240 B14R0.344 C=CCCCCCCC(=O)NCC(=O)N 527a_100000711301_100011809334 [0,2,0,0,0,0|1,0,1]=4 5241 B14R0.344 C=CCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011215473 [0,2,0,0,0,0|1,0,0]=3 5242 B14R0.344 C=CCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100011215482 [0,2,0,0,0,0|1,0,1]=4 5243 B14R0.344 C=CCCCCNCC(C)CSC(=O)C 2230a_100000703577_200000116872 [0,2,0,0,0,0|2,0,0]=4 5244 B14R0.344 C=CCCCCNCC(C)CSC(=O)C 34a_100000703577_200000116872 [0,2,0,0,0,0|2,0,0]=4 5245 B14R0.344 C=CCCCCNCC(O)COC(=O)C 34a_100000703577_200000139349 [0,2,0,0,0,0|2,0,0]=4 5246 B14R0.344 C=CCCCCOCC(C)CSC(=O)C 34a_100000766645_200000116872 [0,2,0,0,0,0|2,0,0]=4 5247 B14R0.344 C=CCCCCOCC(C)CSC(=O)C 7a_100000766645_200000116872 [0,2,0,0,0,0|2,0,0]=4 5248 B14R0.344 C=CCCCCOCC(O)COC(=O)C 34a_100000766645_200000139349 [0,2,0,0,0,0|2,0,0]=4 5249 B14R0.344 C=CCCCCOCC(O)COC(=O)C 7a_100000766645_200000139349 [0,2,0,0,0,0|2,0,0]=4 5250 B14R0.344 C=CCCCCSCC(C)CSC(=O)C 62a_100011215482_200000116872 [0,2,0,0,0,0|2,0,0]=4 5251 B14R0.344 C=CCCCCSCC(C)CSC(=O)C 62a_200000116872_100011215482 [0,2,0,0,0,0|2,0,0]=4 5252 B14R0.344 C=CCCCCSCC(O)COC(=O)C 62a_100011215482_200000139349 [0,2,0,0,0,0|2,0,0]=4 5253 B14R0.344 C=CCCCCSCC(O)COC(=O)C 62a_200000139349_100011215482 [0,2,0,0,0,0|2,0,0]=4 5254 B14R0.344 C=CCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100011713584 [0,2,0,0,0,0|1,0,1]=4 5255 B14R0.391 C#CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100153394163 [0,2,0,0,0,0|0,0,2]=4 5256 B14R0.391 C#CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100012094781 [0,2,0,0,0,0|0,0,2]=4 5257 B14R0.391 C=CCCCCCCCC(=O)CC(=C)C 1458a_100011216160_100000748629 [0,2,0,0,0,0|2,0,0]=4 5258 B14R0.391 C=CCCCCCCCC(=O)CC(=C)F 1458a_100011216160_100009893438 [0,2,0,0,0,0|2,0,0]=4 5259 B14R0.391 C=CCCCCCCCC(=O)CC(=O)N 1458a_100011216160_100000187820 [0,2,0,0,0,0|1,0,0]=3 5260 B14R0.391 C=CCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100012355270 [0,2,0,0,0,0|1,0,0]=3 5261 B14R0.391 C=CCCCCCCCC(=O)CC(=O)[O-] 1458a_100011216160_100020667443 [0,2,0,0,0,0|0,0,1]=3 5262 B14R0.391 C=CCCCCCCCC(=O)CC(C)O 1458a_100011216160_100011218427 [0,2,0,0,0,0|1,0,1]=4 5263 B14R0.391 C=CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012355270 [0,2,0,0,0,0|1,0,1]=4 5264 B14R0.391 C=CCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100011216160_100000761209 [0,2,0,0,0,0|1,0,1]=4 5265 B14R0.391 C=CCCCCCCCN(C)CC(=C)C 2230a_100000225649_100012355270 [0,2,0,0,0,0|2,0,0]=4 5266 B14R0.391 C=CCCCCCCCN(C)CC(=C)C 269982a_100000225649_100012355270 [0,2,0,0,0,0|2,0,0]=4 5267 B14R0.391 C=CCCCCCCCN(C)CC(=O)N 2230a_100000739694_100012355270 [0,2,0,0,0,0|1,0,0]=3 5268 B14R0.391 C=CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100012355270 [0,2,0,0,0,0|0,0,0]=2 5269 B14R0.391 C=CCCCCCCCN(C)CC(C)O 2230a_100000227577_100012355270 [0,2,0,0,0,0|1,0,1]=4 5270 B14R0.391 C=CCCCCCCCN(C)CC(C)O 269982a_100000227577_100012355270 [0,2,0,0,0,0|1,0,1]=4 5271 B14R0.391 C=CCCCCCCSC(C)OC(=O)C 62a_100009818208_100011215473 [0,2,0,0,0,0|2,0,0]=4 5272 B14R0.391 C=CCCCCCCSC(C)OC(=O)C 62a_100011215473_100009818208 [0,2,0,0,0,0|2,0,0]=4 5273 B14R0.391 C=CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000700193 [0,2,0,0,0,0|0,0,0]=2 5274 B14R0.391 CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210670 [0,2,0,0,0,0|0,0,2]=4 5275 B14R0.391 CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210614 [0,2,0,0,0,0|0,0,2]=4 5276 B14R0.391 CN(CCCCCCCCO)CC(=O)O 269956a_100000746989_100000033203 [0,2,0,0,0,0|1,0,1]=4 5277 B14R0.391 N#CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100009813376 [0,2,0,0,0,0|1,0,1]=4 5278 B14R0.391 O=C(O)CC(O)CNCCCCCCF 269956a_100011218706_100015922095 [0,2,0,0,0,0|1,0,1]=4 5279 B14R0.391 O=C(O)CC(O)CNCCCCCCO 269956a_100011218706_100000766143 [0,2,0,0,0,0|1,0,1]=4 5280 B14R0.391 O=CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000139337 [0,2,0,0,0,0|1,0,0]=3 5281 B14R0.394 C#CCCCCCCCNOCC(=O)O 269956a_100000106656_100153394163 [0,2,0,0,0,0|0,0,2]=4 5282 B14R0.394 C#CCCCCCNCCOCC(=O)O 269956a_100000700818_100012094781 [0,2,0,0,0,0|0,0,2]=4 5283 B14R0.394 C/C=C/CCOCCCCCCB(O)O 34a_100016278192_100009817187 [0,2,0,0,0,0|1,0,1]=4 5284 B14R0.394 C/C=C/CCOCCCCCOC(=O)C 34a_100016278192_100000033007 [0,2,0,0,0,0|2,0,0]=4 5285 B14R0.394 C/C=C/CNCCCCCCNC(=O)C 34a_200011996284_100102629194 [0,2,0,0,0,0|2,0,0]=4 5286 B14R0.394 C/C=C/CNCCOCCOCC(=O)O 269956a_100009854275_100102629194 [0,2,0,0,0,0|2,0,0]=4 5287 B14R0.394 C=CCCC/C=C/COCCCC(=O)C 34a_200016268473_100000685027 [0,2,0,0,0,0|1,0,1]=4 5288 B14R0.394 C=CCCC/C=C/COCCCC(=O)C 7a_200016268473_100011215641 [0,2,0,0,0,0|1,0,1]=4 5289 B14R0.394 C=CCCC/C=C/COCCCC(=O)N 34a_200016268473_100102525003 [0,2,0,0,0,0|1,0,1]=4 5290 B14R0.394 C=CCCC/C=C/COCCCC(=O)N 7a_200016268473_100102525003 [0,2,0,0,0,0|1,0,1]=4 5291 B14R0.394 C=CCCCCCCCCCCC(=O)C 1458a_100000070787_100011093070 [0,2,0,0,0,0|1,0,0]=3 5292 B14R0.394 C=CCCCCCCCCCNC(=O)C 11a_100000081888_100015343762 [0,2,0,0,0,0|1,0,0]=3 5293 B14R0.394 C=CCCCCCCCCCNC(=O)C 1626a_100000081888_100015343762 [0,2,0,0,0,0|1,0,0]=3 5294 B14R0.394 C=CCCCCCCCCCNC(=O)C 240690a_100000081888_100015343762 [0,2,0,0,0,0|1,0,0]=3 5295 B14R0.394 C=CCCCCCCCCCNC(=O)C 527a_100000081888_100103153847 [0,2,0,0,0,0|1,0,0]=3 5296 B14R0.394 C=CCCCCCCCCNCC(=O)N 2230a_100000711301_100011933949 [0,2,0,0,0,0|1,0,0]=3 5297 B14R0.394 C=CCCCCCCCCNCC(=O)O 269956a_100016091260_100011933949 [0,2,0,0,0,0|0,0,0]=2 5298 B14R0.394 C=CCCCCCCCCNCC(C)O 2230a_100000210904_100011933949 [0,2,0,0,0,0|1,0,1]=4 5299 B14R0.394 C=CCCCCCCCCNCC(C)O 34a_100000210904_100011933949 [0,2,0,0,0,0|1,0,1]=4 5300 B14R0.394 C=CCCCCCCCCOCC(=C)C 34a_100000210245_100011933949 [0,2,0,0,0,0|2,0,0]=4 5301 B14R0.394 C=CCCCCCCCCOCC(=C)C 34a_100011215194_100000748629 [0,2,0,0,0,0|2,0,0]=4 5302 B14R0.394 C=CCCCCCCCCOCC(=C)C 7a_100011215194_100000748629 [0,2,0,0,0,0|2,0,0]=4 5303 B14R0.394 C=CCCCCCCCCOCC(=C)F 34a_100011215194_100009893438 [0,2,0,0,0,0|2,0,0]=4 5304 B14R0.394 C=CCCCCCCCCOCC(=C)F 34a_200010262243_100011933949 [0,2,0,0,0,0|2,0,0]=4 5305 B14R0.394 C=CCCCCCCCCOCC(=C)F 7a_100011215194_100000042424 [0,2,0,0,0,0|2,0,0]=4 5306 B14R0.394 C=CCCCCCCCCOCC(=O)C 34a_100000211253_100011933949 [0,2,0,0,0,0|1,0,0]=3 5307 B14R0.394 C=CCCCCCCCCOCC(=O)N 34a_100011215194_100000187820 [0,2,0,0,0,0|1,0,0]=3 5308 B14R0.394 C=CCCCCCCCCOCC(=O)N 7a_100011215194_100000187820 [0,2,0,0,0,0|1,0,0]=3 5309 B14R0.394 C=CCCCCCCCCOCC(=O)[O-] 34a_100011215194_100020667443 [0,2,0,0,0,0|0,0,1]=3 5310 B14R0.394 C=CCCCCCCCCOCC(C)O 34a_100011215194_100011218427 [0,2,0,0,0,0|1,0,1]=4 5311 B14R0.394 C=CCCCCCCCCOCC(C)O 7a_100011215194_100011218427 [0,2,0,0,0,0|1,0,1]=4 5312 B14R0.394 C=CCCCCCCCCOC[C@@H](C)O 34a_100011215194_100009817552 [0,2,0,0,0,0|1,0,1]=4 5313 B14R0.394 C=CCCCCCCCCOC[C@@H](C)O 7a_100011215194_100009817552 [0,2,0,0,0,0|1,0,1]=4 5314 B14R0.394 C=CCCCCCCCCOC[N+](=O)[O-] 34a_100011215194_100000761209 [0,2,0,0,0,0|1,0,1]=4 5315 B14R0.394 C=CCCCCCCCCSCC(=O)N 62a_100000747473_100011933949 [0,2,0,0,0,0|1,0,0]=3 5316 B14R0.394 C=CCCCCCCCCSCC(=O)N 62a_100011933949_100000747473 [0,2,0,0,0,0|1,0,0]=3 5317 B14R0.394 C=CCCCCCCCCSCC(=O)[O-] 62a_100011933949_100020667443 [0,2,0,0,0,0|0,0,1]=3 5318 B14R0.394 C=CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011933949 [0,2,0,0,0,0|0,0,1]=3 5319 B14R0.394 C=CCCCCCCCCSCC(C)O 62a_100011218427_100011933949 [0,2,0,0,0,0|1,0,1]=4 5320 B14R0.394 C=CCCCCCCCCSCC(C)O 62a_100011933949_100011218427 [0,2,0,0,0,0|1,0,1]=4 5321 B14R0.394 C=CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011933949 [0,2,0,0,0,0|1,0,1]=4 5322 B14R0.394 C=CCCCCCCCCSC[C@@H](C)O 62a_100011933949_100009817552 [0,2,0,0,0,0|1,0,1]=4 5323 B14R0.394 C=CCCCCCCCCSC[N+](=O)[O-] 62a_100011933949_100000761209 [0,2,0,0,0,0|1,0,1]=4 5324 B14R0.394 C=CCCCCCCCNCC=C(C)C 34a_100000718196_100012355270 [0,2,0,0,0,0|2,0,0]=4 5325 B14R0.394 C=CCCCCCCCNCCC(C)O 2230a_200000755665_100012355270 [0,2,0,0,0,0|1,0,1]=4 5326 B14R0.394 C=CCCCCCCCNOCC(=O)O 269956a_100000106656_100012355270 [0,2,0,0,0,0|0,0,0]=2 5327 B14R0.394 C=CCCCCCCCOCC=C(C)C 34a_100000730831_100000761012 [0,2,0,0,0,0|2,0,0]=4 5328 B14R0.394 C=CCCCCCCCOCC=C(C)C 34a_100000753907_100012355270 [0,2,0,0,0,0|2,0,0]=4 5329 B14R0.394 C=CCCCCCCCOCC=C(C)C 7a_100000730831_100000761012 [0,2,0,0,0,0|2,0,0]=4 5330 B14R0.394 C=CCCCCCCCOCCC(=C)Br 34a_100009813270_100012355270 [0,2,0,0,0,0|2,0,0]=4 5331 B14R0.394 C=CCCCCCCCOCCC(=C)C 34a_100000730831_100000730704 [0,2,0,0,0,0|2,0,0]=4 5332 B14R0.394 C=CCCCCCCCOCCC(=C)C 34a_100000764851_100012355270 [0,2,0,0,0,0|2,0,0]=4 5333 B14R0.394 C=CCCCCCCCOCCC(=C)C 7a_100000730831_100000730704 [0,2,0,0,0,0|2,0,0]=4 5334 B14R0.394 C=CCCCCCCCOCCC(=O)C 34a_100000759926_100012355270 [0,2,0,0,0,0|1,0,0]=3 5335 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000730831_100000053229 [0,2,0,0,0,0|1,0,0]=3 5336 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000759926_100012355270 [0,2,0,0,0,0|1,0,0]=3 5337 B14R0.394 C=CCCCCCCCOCCC(=O)N 34a_100000730831_100000731001 [0,2,0,0,0,0|1,0,0]=3 5338 B14R0.394 C=CCCCCCCCOCCC(=O)N 34a_100000757172_100012355270 [0,2,0,0,0,0|1,0,0]=3 5339 B14R0.394 C=CCCCCCCCOCCC(=O)N 7a_100000730831_100000744528 [0,2,0,0,0,0|1,0,0]=3 5340 B14R0.394 C=CCCCCCCCOCCC(=O)N 7a_100000757172_100012355270 [0,2,0,0,0,0|1,0,0]=3 5341 B14R0.394 C=CCCCCCCCOCCC(C)O 34a_100000730831_100012276601 [0,2,0,0,0,0|1,0,1]=4 5342 B14R0.394 C=CCCCCCCCOCCC(C)O 7a_100000730831_100012276601 [0,2,0,0,0,0|1,0,1]=4 5343 B14R0.394 C=CCCCCCCCOCOC(=O)C 34a_100000730831_100009813279 [0,2,0,0,0,0|1,0,0]=3 5344 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100000053229_100012355270 [0,2,0,0,0,0|1,0,0]=3 5345 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100012355270_100000053229 [0,2,0,0,0,0|1,0,0]=3 5346 B14R0.394 C=CCCCCCCCSCCC(=O)N 62a_100000744528_100012355270 [0,2,0,0,0,0|1,0,0]=3 5347 B14R0.394 C=CCCCCCCCSCCC(=O)N 62a_100012355270_100000744528 [0,2,0,0,0,0|1,0,0]=3 5348 B14R0.394 C=CCCCCCCCSCCC(C)O 62a_100012276601_100012355270 [0,2,0,0,0,0|1,0,1]=4 5349 B14R0.394 C=CCCCCCCCSCCC(C)O 62a_100012355270_100012276601 [0,2,0,0,0,0|1,0,1]=4 5350 B14R0.394 C=CCCCCCCCSCOC(=O)C 62a_100000076356_100012355270 [0,2,0,0,0,0|1,0,0]=3 5351 B14R0.394 C=CCCCCCCCSCOC(=O)C 62a_100012355270_100000076356 [0,2,0,0,0,0|1,0,0]=3 5352 B14R0.394 C=CCCCCCCNCCCC(=O)N 34a_100000739312_100011215473 [0,2,0,0,0,0|1,0,0]=3 5353 B14R0.394 C=CCCCCCCNCCCS(=O)C 2230a_200000753449_100011215473 [0,2,0,0,0,0|2,0,0]=4 5354 B14R0.394 C=CCCCCCCNCCNC(=O)C 2230a_100000209853_100011215473 [0,2,0,0,0,0|1,0,0]=3 5355 B14R0.394 C=CCCCCCCNCCNC(=O)N 34a_100020590234_100011215473 [0,2,0,0,0,0|1,0,0]=3 5356 B14R0.394 C=CCCCCCCOCCC=C(C)C 34a_200011216477_100011217483 [0,2,0,0,0,0|2,0,0]=4 5357 B14R0.394 C=CCCCCCCOCCC=C(C)C 7a_200011216477_100011217483 [0,2,0,0,0,0|2,0,0]=4 5358 B14R0.394 C=CCCCCCCOCCC=C(F)F 34a_200011216477_200009816681 [0,2,0,0,0,0|2,0,0]=4 5359 B14R0.394 C=CCCCCCCOCCC=C(F)F 7a_200011216477_200009816681 [0,2,0,0,0,0|2,0,0]=4 5360 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_100000759063_100011215473 [0,2,0,0,0,0|1,0,0]=3 5361 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_200011216477_100000685027 [0,2,0,0,0,0|1,0,0]=3 5362 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_100000759063_100011215473 [0,2,0,0,0,0|1,0,0]=3 5363 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_200011216477_100011215641 [0,2,0,0,0,0|1,0,0]=3 5364 B14R0.394 C=CCCCCCCOCCCC(=O)N 34a_200011216477_100102525003 [0,2,0,0,0,0|1,0,0]=3 5365 B14R0.394 C=CCCCCCCOCCCC(=O)N 7a_200011216477_100102525003 [0,2,0,0,0,0|1,0,0]=3 5366 B14R0.394 C=CCCCCCCOCCCC(C)O 34a_200011216477_200000718107 [0,2,0,0,0,0|1,0,1]=4 5367 B14R0.394 C=CCCCCCCOCCCC(C)O 7a_200011216477_200000718107 [0,2,0,0,0,0|1,0,1]=4 5368 B14R0.394 C=CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011215473 [0,2,0,0,0,0|1,0,1]=4 5369 B14R0.394 C=CCCCCCCOCCNC(=O)C 34a_100000158858_100011215473 [0,2,0,0,0,0|1,0,0]=3 5370 B14R0.394 C=CCCCCCCOCCNC(=O)C 7a_200011216477_100000189650 [0,2,0,0,0,0|1,0,0]=3 5371 B14R0.394 C=CCCCCCCOCCNC(=O)N 34a_100000181757_100011215473 [0,2,0,0,0,0|1,0,0]=3 5372 B14R0.394 C=CCCCCCCOCCNC(=O)N 7a_200011216477_200000034859 [0,2,0,0,0,0|1,0,0]=3 5373 B14R0.394 C=CCCCCCCOCCOC(=O)C 34a_200011216477_100009814007 [0,2,0,0,0,0|1,0,0]=3 5374 B14R0.394 C=CCCCCCCOCCOC(=O)C 7a_200011216477_100009814007 [0,2,0,0,0,0|1,0,0]=3 5375 B14R0.394 C=CCCCCCCOCCOC(=O)N 34a_200011216477_200011214921 [0,2,0,0,0,0|1,0,0]=3 5376 B14R0.394 C=CCCCCCCOCCOC(=O)N 7a_100000766696_100011215473 [0,2,0,0,0,0|1,0,0]=3 5377 B14R0.394 C=CCCCCCCOCCOC(=O)N 7a_200011216477_200011214921 [0,2,0,0,0,0|1,0,0]=3 5378 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215473_100011215641 [0,2,0,0,0,0|1,0,0]=3 5379 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215641_100011215473 [0,2,0,0,0,0|1,0,0]=3 5380 B14R0.394 C=CCCCCCCSCCCC(=O)N 62a_100011215473_100102525003 [0,2,0,0,0,0|1,0,0]=3 5381 B14R0.394 C=CCCCCCCSCCCC(=O)N 62a_100102525003_100011215473 [0,2,0,0,0,0|1,0,0]=3 5382 B14R0.394 C=CCCCCCCSCCCC(C)O 62a_100011215473_200000718107 [0,2,0,0,0,0|1,0,1]=4 5383 B14R0.394 C=CCCCCCCSCCCC(C)O 62a_200000718107_100011215473 [0,2,0,0,0,0|1,0,1]=4 5384 B14R0.394 C=CCCCCCCSCCNC(=O)C 62a_100000189650_100011215473 [0,2,0,0,0,0|1,0,0]=3 5385 B14R0.394 C=CCCCCCCSCCNC(=O)C 62a_100011215473_100000189650 [0,2,0,0,0,0|1,0,0]=3 5386 B14R0.394 C=CCCCCCCSCCNC(=O)N 62a_100011215473_200000034859 [0,2,0,0,0,0|1,0,0]=3 5387 B14R0.394 C=CCCCCCCSCCNC(=O)N 62a_200000034859_100011215473 [0,2,0,0,0,0|1,0,0]=3 5388 B14R0.394 C=CCCCCCCSCCOC(=O)C 62a_100009814007_100011215473 [0,2,0,0,0,0|1,0,0]=3 5389 B14R0.394 C=CCCCCCCSCCOC(=O)C 62a_100011215473_100009814007 [0,2,0,0,0,0|1,0,0]=3 5390 B14R0.394 C=CCCCCCCSCCOC(=O)N 62a_100011215473_200011214921 [0,2,0,0,0,0|1,0,0]=3 5391 B14R0.394 C=CCCCCCCSCCOC(=O)N 62a_200011214921_100011215473 [0,2,0,0,0,0|1,0,0]=3 5392 B14R0.394 C=CCCCCCNCCCCC(=O)N 34a_100000696515_100000700193 [0,2,0,0,0,0|1,0,0]=3 5393 B14R0.394 C=CCCCCCNCCCNC(=O)C 34a_100000736810_100000700193 [0,2,0,0,0,0|1,0,0]=3 5394 B14R0.394 C=CCCCCCNCCOCC(=O)O 269956a_100000700818_100000700193 [0,2,0,0,0,0|0,0,0]=2 5395 B14R0.394 C=CCCCCCOCCCCB(O)O 34a_100011216702_200009817182 [0,2,0,0,0,0|1,0,1]=4 5396 B14R0.394 C=CCCCCCOCCCCB(O)O 7a_100011216702_200009817182 [0,2,0,0,0,0|1,0,1]=4 5397 B14R0.394 C=CCCCCCOCCCCC(=O)C 34a_100011216702_100009817362 [0,2,0,0,0,0|1,0,0]=3 5398 B14R0.394 C=CCCCCCOCCCCC(=O)C 7a_100011216702_100000735457 [0,2,0,0,0,0|1,0,0]=3 5399 B14R0.394 C=CCCCCCOCCCCC(=O)N 34a_100012022536_100000700193 [0,2,0,0,0,0|1,0,0]=3 5400 B14R0.394 C=CCCCCCOCCCCC(=O)N 7a_100012022536_100000700193 [0,2,0,0,0,0|1,0,0]=3 5401 B14R0.394 C=CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000700193 [0,2,0,0,0,0|1,0,1]=4 5402 B14R0.394 C=CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000700193 [0,2,0,0,0,0|1,0,1]=4 5403 B14R0.394 C=CCCCCCOCCCNC(=O)C 34a_100000752032_100000700193 [0,2,0,0,0,0|1,0,0]=3 5404 B14R0.394 C=CCCCCCOCCCOC(=O)C 34a_100011216702_100000042594 [0,2,0,0,0,0|1,0,0]=3 5405 B14R0.394 C=CCCCCCOCCCOC(=O)C 7a_100011216702_100000042594 [0,2,0,0,0,0|1,0,0]=3 5406 B14R0.394 C=CCCCCCOCCCOC(=S)C 34a_100011216702_200135323944 [0,2,0,0,0,0|1,1,0]=4 5407 B14R0.394 C=CCCCCCOCCCOC(=S)C 7a_100011216702_200135323944 [0,2,0,0,0,0|1,1,0]=4 5408 B14R0.394 C=CCCCCCOCCCSC(=O)C 34a_100011216702_100000038929 [0,2,0,0,0,0|1,0,0]=3 5409 B14R0.394 C=CCCCCCOCCCSC(=O)C 7a_100011216702_100000038929 [0,2,0,0,0,0|1,0,0]=3 5410 B14R0.394 C=CCCCCCOCCOCC(=O)N 34a_100011216702_100000076697 [0,2,0,0,0,0|1,0,0]=3 5411 B14R0.394 C=CCCCCCOCCOCC(=O)N 7a_100011216702_100000076697 [0,2,0,0,0,0|1,0,0]=3 5412 B14R0.394 C=CCCCCCSCCCCB(O)O 62a_100000700193_200009817182 [0,2,0,0,0,0|1,0,1]=4 5413 B14R0.394 C=CCCCCCSCCCCB(O)O 62a_200009817182_100000700193 [0,2,0,0,0,0|1,0,1]=4 5414 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000700193_100000735457 [0,2,0,0,0,0|1,0,0]=3 5415 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000735457_100000700193 [0,2,0,0,0,0|1,0,0]=3 5416 B14R0.394 C=CCCCCCSCCCOC(=O)C 62a_100000042594_100000700193 [0,2,0,0,0,0|1,0,0]=3 5417 B14R0.394 C=CCCCCCSCCCOC(=O)C 62a_100000700193_100000042594 [0,2,0,0,0,0|1,0,0]=3 5418 B14R0.394 C=CCCCCCSCCCOC(=S)C 62a_100000700193_200135323944 [0,2,0,0,0,0|1,1,0]=4 5419 B14R0.394 C=CCCCCCSCCCOC(=S)C 62a_200135323944_100000700193 [0,2,0,0,0,0|1,1,0]=4 5420 B14R0.394 C=CCCCCCSCCCSC(=O)C 62a_100000038929_100000700193 [0,2,0,0,0,0|1,0,0]=3 5421 B14R0.394 C=CCCCCCSCCCSC(=O)C 62a_100000700193_100000038929 [0,2,0,0,0,0|1,0,0]=3 5422 B14R0.394 C=CCCCCCSCCOCC(=O)N 62a_100000076697_100000700193 [0,2,0,0,0,0|1,0,0]=3 5423 B14R0.394 C=CCCCCCSCCOCC(=O)N 62a_100000700193_100000076697 [0,2,0,0,0,0|1,0,0]=3 5424 B14R0.394 C=CCCCCNCCCCCB(O)O 2230a_100000703577_200009817188 [0,2,0,0,0,0|1,0,1]=4 5425 B14R0.394 C=CCCCCNCCCCCB(O)O 34a_100000703577_200009817188 [0,2,0,0,0,0|1,0,1]=4 5426 B14R0.394 C=CCCCCNCCCCCC(=O)N 2230a_100000703577_100009817443 [0,2,0,0,0,0|1,0,0]=3 5427 B14R0.394 C=CCCCCNCCCCCC(=O)N 34a_100000703577_100009817443 [0,2,0,0,0,0|1,0,0]=3 5428 B14R0.394 C=CCCCCNCCCCNC(=O)C 2230a_200011368371_100011215482 [0,2,0,0,0,0|1,0,0]=3 5429 B14R0.394 C=CCCCCNCCCCNC(=O)C 34a_200011368371_100011215482 [0,2,0,0,0,0|1,0,0]=3 5430 B14R0.394 C=CCCCCNCCCCOC(=O)C 34a_100000703577_100000033659 [0,2,0,0,0,0|1,0,0]=3 5431 B14R0.394 C=CCCCCNCCCCO[N+](=O)[O-] 34a_100000703577_100015694321 [0,2,0,0,0,0|1,0,1]=4 5432 B14R0.394 C=CCCCCNCCCCSC(=O)C 2230a_100000703577_200010402107 [0,2,0,0,0,0|1,0,0]=3 5433 B14R0.394 C=CCCCCNCCCCSC(=O)C 34a_100000703577_200010402107 [0,2,0,0,0,0|1,0,0]=3 5434 B14R0.394 C=CCCCCNCOCCOC(=O)C 34a_100000703577_100000076355 [0,2,0,0,0,0|2,0,0]=4 5435 B14R0.394 C=CCCCCOCCCCCB(O)O 34a_100000766645_200009817188 [0,2,0,0,0,0|1,0,1]=4 5436 B14R0.394 C=CCCCCOCCCCCB(O)O 7a_100000766645_200009817188 [0,2,0,0,0,0|1,0,1]=4 5437 B14R0.394 C=CCCCCOCCCCCC(=O)N 34a_100000123541_100011215482 [0,2,0,0,0,0|1,0,0]=3 5438 B14R0.394 C=CCCCCOCCCCCC(=O)N 34a_100000766645_100009817443 [0,2,0,0,0,0|1,0,0]=3 5439 B14R0.394 C=CCCCCOCCCCCC(=O)N 7a_100000123541_100011215482 [0,2,0,0,0,0|1,0,0]=3 5440 B14R0.394 C=CCCCCOCCCCCC(=O)N 7a_100000766645_100009817443 [0,2,0,0,0,0|1,0,0]=3 5441 B14R0.394 C=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215482 [0,2,0,0,0,0|0,0,1]=3 5442 B14R0.394 C=CCCCCOCCCCOC(=O)C 34a_100000073216_100011215482 [0,2,0,0,0,0|1,0,0]=3 5443 B14R0.394 C=CCCCCOCCCCOC(=O)C 34a_100000766645_100000033659 [0,2,0,0,0,0|1,0,0]=3 5444 B14R0.394 C=CCCCCOCCCCOC(=O)C 7a_100000073216_100011215482 [0,2,0,0,0,0|1,0,0]=3 5445 B14R0.394 C=CCCCCOCCCCOC(=O)C 7a_100000766645_100000033659 [0,2,0,0,0,0|1,0,0]=3 5446 B14R0.394 C=CCCCCOCCCCO[N+](=O)[O-] 34a_100000766645_100015694321 [0,2,0,0,0,0|1,0,1]=4 5447 B14R0.394 C=CCCCCOCCCCO[N+](=O)[O-] 7a_100000766645_100015694321 [0,2,0,0,0,0|1,0,1]=4 5448 B14R0.394 C=CCCCCOCCCCSC(=O)C 34a_100000766645_200010402107 [0,2,0,0,0,0|1,0,0]=3 5449 B14R0.394 C=CCCCCOCCCCSC(=O)C 7a_100000766645_200010402107 [0,2,0,0,0,0|1,0,0]=3 5450 B14R0.394 C=CCCCCOCOCCOC(=O)C 34a_100000766645_100000076355 [0,2,0,0,0,0|2,0,0]=4 5451 B14R0.394 C=CCCCCSCCCCCB(O)O 62a_100011215482_200009817188 [0,2,0,0,0,0|1,0,1]=4 5452 B14R0.394 C=CCCCCSCCCCCB(O)O 62a_200009817188_100011215482 [0,2,0,0,0,0|1,0,1]=4 5453 B14R0.394 C=CCCCCSCCCCCC(=O)N 62a_100009817443_100011215482 [0,2,0,0,0,0|1,0,0]=3 5454 B14R0.394 C=CCCCCSCCCCCC(=O)N 62a_100011215482_100009817443 [0,2,0,0,0,0|1,0,0]=3 5455 B14R0.394 C=CCCCCSCCCCOC(=O)C 62a_100000033659_100011215482 [0,2,0,0,0,0|1,0,0]=3 5456 B14R0.394 C=CCCCCSCCCCOC(=O)C 62a_100011215482_100000033659 [0,2,0,0,0,0|1,0,0]=3 5457 B14R0.394 C=CCCCCSCCCCO[N+](=O)[O-] 62a_100011215482_100015694321 [0,2,0,0,0,0|1,0,1]=4 5458 B14R0.394 C=CCCCCSCCCCSC(=O)C 62a_100011215482_200010402107 [0,2,0,0,0,0|1,0,0]=3 5459 B14R0.394 C=CCCCCSCCCCSC(=O)C 62a_200010402107_100011215482 [0,2,0,0,0,0|1,0,0]=3 5460 B14R0.394 C=CCCCCSCOCCOC(=O)C 62a_100000076355_100011215482 [0,2,0,0,0,0|2,0,0]=4 5461 B14R0.394 C=CCCCCSCOCCOC(=O)C 62a_100011215482_100000076355 [0,2,0,0,0,0|2,0,0]=4 5462 B14R0.394 C=CCCCNCCCCCCB(O)O 2230a_100000700776_100009817187 [0,2,0,0,0,0|1,0,1]=4 5463 B14R0.394 C=CCCCNCCCCCCB(O)O 34a_100000700776_100009817187 [0,2,0,0,0,0|1,0,1]=4 5464 B14R0.394 C=CCCCNCCCCCNC(=O)C 2230a_200012022750_100011713584 [0,2,0,0,0,0|1,0,0]=3 5465 B14R0.394 C=CCCCNCCCCCNC(=O)C 34a_200012022750_100000757094 [0,2,0,0,0,0|1,0,0]=3 5466 B14R0.394 C=CCCCNCCCCCOC(=O)C 2230a_100000700776_100009813381 [0,2,0,0,0,0|1,0,0]=3 5467 B14R0.394 C=CCCCNCCCCCOC(=O)C 34a_100000700776_100000033007 [0,2,0,0,0,0|1,0,0]=3 5468 B14R0.394 C=CCCCNCCOCCOC(=O)C 2230a_100000700776_200000083610 [0,2,0,0,0,0|2,0,0]=4 5469 B14R0.394 C=CCCCNCCOCCOC(=O)C 34a_100000700776_200000083610 [0,2,0,0,0,0|2,0,0]=4 5470 B14R0.394 C=CCCCOCCCCCCB(O)O 34a_100000758997_100009817187 [0,2,0,0,0,0|1,0,1]=4 5471 B14R0.394 C=CCCCOCCCCCCB(O)O 7a_100000758997_100009817187 [0,2,0,0,0,0|1,0,1]=4 5472 B14R0.394 C=CCCCOCCCCCOC(=O)C 34a_100000758997_100000033007 [0,2,0,0,0,0|1,0,0]=3 5473 B14R0.394 C=CCCCOCCCCCOC(=O)C 7a_100000758997_100000033007 [0,2,0,0,0,0|1,0,0]=3 5474 B14R0.394 C=CCCCOCCOCCOC(=O)C 34a_100000758997_200000083610 [0,2,0,0,0,0|2,0,0]=4 5475 B14R0.394 C=CCCCOCCOCCOC(=O)C 7a_100000758997_200000083610 [0,2,0,0,0,0|2,0,0]=4 5476 B14R0.394 C=CCCCSCCCCCCB(O)O 62a_100009817187_100000757094 [0,2,0,0,0,0|1,0,1]=4 5477 B14R0.394 C=CCCCSCCCCCCB(O)O 62a_100011713584_100009817187 [0,2,0,0,0,0|1,0,1]=4 5478 B14R0.394 C=CCCCSCCCCCOC(=O)C 62a_100000033007_100000757094 [0,2,0,0,0,0|1,0,0]=3 5479 B14R0.394 C=CCCCSCCCCCOC(=O)C 62a_100011713584_100000033007 [0,2,0,0,0,0|1,0,0]=3 5480 B14R0.394 C=CCCCSCCOCCOC(=O)C 62a_100011713584_200000083610 [0,2,0,0,0,0|2,0,0]=4 5481 B14R0.394 C=CCCCSCCOCCOC(=O)C 62a_200000083610_100000757094 [0,2,0,0,0,0|2,0,0]=4 5482 B14R0.394 C=CCCNCCCCCCNC(=O)C 2230a_200011996284_100000754431 [0,2,0,0,0,0|1,0,0]=3 5483 B14R0.394 C=CCCNCCCCCCNC(=O)C 34a_200011996284_100000754431 [0,2,0,0,0,0|1,0,0]=3 5484 B14R0.394 C=CCCNCCOCCOCC(=O)O 269956a_100009854275_100000754431 [0,2,0,0,0,0|1,0,0]=3 5485 B14R0.394 C=CCOCCOCCCCCB(O)O 34a_100000037705_200009817188 [0,2,0,0,0,0|1,0,1]=4 5486 B14R0.394 C=CCOCCOCCCCCB(O)O 7a_100000037705_200009817188 [0,2,0,0,0,0|1,0,1]=4 5487 B14R0.394 C=CCOCCOCCCCCC(=O)N 34a_100000037705_100009817443 [0,2,0,0,0,0|1,0,0]=3 5488 B14R0.394 C=CCOCCOCCCCCC(=O)N 7a_100000037705_100009817443 [0,2,0,0,0,0|1,0,0]=3 5489 B14R0.394 C=CCOCCOCCCCOC(=O)C 34a_100000037705_100000033659 [0,2,0,0,0,0|2,0,0]=4 5490 B14R0.394 C=CCOCCOCCCCOC(=O)C 7a_100000037705_100000033659 [0,2,0,0,0,0|2,0,0]=4 5491 B14R0.394 C=CCOCCOCCCCSC(=O)C 34a_100000037705_200010402107 [0,2,0,0,0,0|2,0,0]=4 5492 B14R0.394 C=CCOCCOCCCCSC(=O)C 7a_100000037705_200010402107 [0,2,0,0,0,0|2,0,0]=4 5493 B14R0.394 C=CCOCCOCCOCCC(=O)C 7a_100000065479_100000053229 [0,2,0,0,0,0|2,0,0]=4 5494 B14R0.394 C=CCOCCOCCOCCC(=O)N 34a_100000065479_100000731001 [0,2,0,0,0,0|2,0,0]=4 5495 B14R0.394 C=CCOCCOCCOCCC(=O)N 7a_100000065479_100000744528 [0,2,0,0,0,0|2,0,0]=4 5496 B14R0.394 C=COCCCCOCCCCB(O)O 34a_100000031558_200009817182 [0,2,0,0,0,0|1,0,1]=4 5497 B14R0.394 C=COCCCCOCCCCB(O)O 7a_100000031558_200009817182 [0,2,0,0,0,0|1,0,1]=4 5498 B14R0.394 C=COCCCCOCCCCC(=O)C 34a_100000031558_100009817362 [0,2,0,0,0,0|1,0,0]=3 5499 B14R0.394 C=COCCCCOCCCCC(=O)C 7a_100000031558_100000735457 [0,2,0,0,0,0|1,0,0]=3 5500 B14R0.394 C=COCCCCOCCCOC(=O)C 34a_100000031558_100000042594 [0,2,0,0,0,0|2,0,0]=4 5501 B14R0.394 C=COCCCCOCCCOC(=O)C 7a_100000031558_100000042594 [0,2,0,0,0,0|2,0,0]=4 5502 B14R0.394 C=COCCCCOCCCSC(=O)C 34a_100000031558_100000038929 [0,2,0,0,0,0|2,0,0]=4 5503 B14R0.394 C=COCCCCOCCCSC(=O)C 7a_100000031558_100000038929 [0,2,0,0,0,0|2,0,0]=4 5504 B14R0.394 C=COCCCCOCCOCC(=O)N 34a_100000031558_100000076697 [0,2,0,0,0,0|2,0,0]=4 5505 B14R0.394 C=COCCCCOCCOCC(=O)N 7a_100000031558_100000076697 [0,2,0,0,0,0|2,0,0]=4 5506 B14R0.394 C=COCCCNCCCCCB(O)O 2230a_100000210767_200009817188 [0,2,0,0,0,0|1,0,1]=4 5507 B14R0.394 C=COCCCNCCCCCB(O)O 34a_100000210767_200009817188 [0,2,0,0,0,0|1,0,1]=4 5508 B14R0.394 C=COCCCNCCCCCC(=O)N 2230a_100000210767_100009817443 [0,2,0,0,0,0|1,0,0]=3 5509 B14R0.394 C=COCCCNCCCCCC(=O)N 34a_100000210767_100009817443 [0,2,0,0,0,0|1,0,0]=3 5510 B14R0.394 C=COCCCNCCCCOC(=O)C 34a_100000210767_100000033659 [0,2,0,0,0,0|2,0,0]=4 5511 B14R0.394 C=COCCCNCCCCSC(=O)C 2230a_100000210767_200010402107 [0,2,0,0,0,0|2,0,0]=4 5512 B14R0.394 C=COCCCNCCCCSC(=O)C 34a_100000210767_200010402107 [0,2,0,0,0,0|2,0,0]=4 5513 B14R0.394 C=COCCNCCCCCNC(=O)C 2230a_200012022750_100000039644 [0,2,0,0,0,0|2,0,0]=4 5514 B14R0.394 C=COCCNCCCCCNC(=O)C 34a_200012022750_100000039644 [0,2,0,0,0,0|2,0,0]=4 5515 B14R0.394 C=COCCOCCCCCCB(O)O 34a_100000033082_100009817187 [0,2,0,0,0,0|1,0,1]=4 5516 B14R0.394 C=COCCOCCCCCOC(=O)C 34a_100000033082_100000033007 [0,2,0,0,0,0|2,0,0]=4 5517 B14R0.394 C=COCCOCCOCCCC(=O)C 34a_100000039918_100000685027 [0,2,0,0,0,0|2,0,0]=4 5518 B14R0.394 C=COCCOCCOCCCC(=O)C 7a_100000039918_100011215641 [0,2,0,0,0,0|2,0,0]=4 5519 B14R0.394 C=COCCOCCOCCCC(=O)N 34a_100000039918_100102525003 [0,2,0,0,0,0|2,0,0]=4 5520 B14R0.394 C=COCCOCCOCCCC(=O)N 7a_100000039918_100102525003 [0,2,0,0,0,0|2,0,0]=4 5521 B14R0.394 C=COCCSCCCCCCB(O)O 62a_100000039644_100009817187 [0,2,0,0,0,0|1,0,1]=4 5522 B14R0.394 C=COCCSCCCCCCB(O)O 62a_100009817187_100000039644 [0,2,0,0,0,0|1,0,1]=4 5523 B14R0.394 C=COCCSCCCCCOC(=O)C 62a_100000033007_100000039644 [0,2,0,0,0,0|2,0,0]=4 5524 B14R0.394 C=COCCSCCCCCOC(=O)C 62a_100000039644_100000033007 [0,2,0,0,0,0|2,0,0]=4 5525 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000139337_100000735457 [0,2,0,0,0,0|1,0,1]=4 5526 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000735457_100000139337 [0,2,0,0,0,0|1,0,1]=4 5527 B14R0.394 CC(=O)NCCCCCNCCCC=O 2230a_200012022750_200011292268 [0,2,0,0,0,0|2,0,0]=4 5528 B14R0.394 CC(=O)NCCCCNCCCCC=O 2230a_200011368371_100000139335 [0,2,0,0,0,0|2,0,0]=4 5529 B14R0.394 CC(=O)OCCCCCSCCCC=O 62a_100000033007_200011292268 [0,2,0,0,0,0|2,0,0]=4 5530 B14R0.394 CC(=O)OCCCCCSCCCC=O 62a_200011292268_100000033007 [0,2,0,0,0,0|2,0,0]=4 5531 B14R0.394 CC(=O)OCCCCOCCCCC=O 7a_100000073216_100000139335 [0,2,0,0,0,0|2,0,0]=4 5532 B14R0.394 CC(=O)OCCCCSCCCCC=O 62a_100000033659_100000139335 [0,2,0,0,0,0|2,0,0]=4 5533 B14R0.394 CC(=O)OCCCCSCCCCC=O 62a_100000139335_100000033659 [0,2,0,0,0,0|2,0,0]=4 5534 B14R0.394 CC(=O)OCCCSCCCCCC=O 62a_100000042594_100000139337 [0,2,0,0,0,0|2,0,0]=4 5535 B14R0.394 CC(=O)OCCCSCCCCCC=O 62a_100000139337_100000042594 [0,2,0,0,0,0|2,0,0]=4 5536 B14R0.394 CC(=O)SCCCCSCCCCC=O 62a_100000139335_200010402107 [0,2,0,0,0,0|2,0,0]=4 5537 B14R0.394 CC(=O)SCCCCSCCCCC=O 62a_200010402107_100000139335 [0,2,0,0,0,0|2,0,0]=4 5538 B14R0.394 CC(=O)SCCCSCCCCCC=O 62a_100000038929_100000139337 [0,2,0,0,0,0|2,0,0]=4 5539 B14R0.394 CC(=O)SCCCSCCCCCC=O 62a_100000139337_100000038929 [0,2,0,0,0,0|2,0,0]=4 5540 B14R0.394 CC/C=C/CCCOCCCCC(=O)C 34a_100016287902_100009817362 [0,2,0,0,0,0|2,0,0]=4 5541 B14R0.394 CC/C=C/CCCOCCCCC(=O)C 7a_100016287902_100000735457 [0,2,0,0,0,0|2,0,0]=4 5542 B14R0.394 CC/C=C\CCCCCNCCC(=O)N 269862a_100000740010_100016288537 [0,2,0,0,0,0|2,0,0]=4 5543 B14R0.394 CC/C=C\CCCCCOCCC(=O)C 7a_100016268722_100000053229 [0,2,0,0,0,0|2,0,0]=4 5544 B14R0.394 CC/C=C\CCCCCOCCC(=O)N 34a_100016268722_100000731001 [0,2,0,0,0,0|2,0,0]=4 5545 B14R0.394 CC/C=C\CCCCCOCCC(=O)N 7a_100016268722_100000744528 [0,2,0,0,0,0|2,0,0]=4 5546 B14R0.394 CC/C=C\CCCCOCCCC(=O)C 34a_100016287862_100000685027 [0,2,0,0,0,0|2,0,0]=4 5547 B14R0.394 CC/C=C\CCCCOCCCC(=O)C 7a_100016287862_100011215641 [0,2,0,0,0,0|2,0,0]=4 5548 B14R0.394 CC/C=C\CCCCOCCCC(=O)N 34a_100016287862_100102525003 [0,2,0,0,0,0|2,0,0]=4 5549 B14R0.394 CC/C=C\CCCCOCCCC(=O)N 7a_100016287862_100102525003 [0,2,0,0,0,0|2,0,0]=4 5550 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 34a_100000123541_100015370543 [0,2,0,0,0,0|2,0,0]=4 5551 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 34a_100016288707_100009817443 [0,2,0,0,0,0|2,0,0]=4 5552 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 7a_100000123541_100015370543 [0,2,0,0,0,0|2,0,0]=4 5553 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 7a_100016288707_100009817443 [0,2,0,0,0,0|2,0,0]=4 5554 B14R0.394 CC/C=C\CCOCCCCCC(=O)[O-] 7a_100102619762_100015370543 [0,2,0,0,0,0|1,0,1]=4 5555 B14R0.394 CC/C=C\CCSCCCCCC(=O)N 62a_100009817443_100015370543 [0,2,0,0,0,0|2,0,0]=4 5556 B14R0.394 CC/C=C\CCSCCCCCC(=O)N 62a_100015370543_100009817443 [0,2,0,0,0,0|2,0,0]=4 5557 B14R0.394 CC=C=CCCOCCCCCC(=O)N 34a_100011020354_100009817443 [0,2,0,0,0,0|2,0,0]=4 5558 B14R0.394 CC=CCCCOCCCCCB(O)O 34a_100020645299_200009817188 [0,2,0,0,0,0|1,0,1]=4 5559 B14R0.394 CC=CCCCOCCCCCC(=O)N 34a_100020645299_100009817443 [0,2,0,0,0,0|1,0,0]=3 5560 B14R0.394 CC=CCCCOCCCCOC(=O)C 34a_100020645299_100000033659 [0,2,0,0,0,0|2,0,0]=4 5561 B14R0.394 CC=CCCCOCCCCSC(=O)C 34a_100020645299_200010402107 [0,2,0,0,0,0|2,0,0]=4 5562 B14R0.394 CC=CCNCCCCCCNC(=O)C 2230a_200011996284_100000070051 [0,2,0,0,0,0|2,0,0]=4 5563 B14R0.394 CC=CCNCCCCCCNC(=O)C 34a_200011996284_100000070051 [0,2,0,0,0,0|2,0,0]=4 5564 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [0,2,0,0,0,0|0,0,2]=4 5565 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [0,2,0,0,0,0|0,0,2]=4 5566 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [0,2,0,0,0,0|0,0,2]=4 5567 B14R0.394 N#CCCCCCNCCOCC(=O)O 269956a_100000700818_100009813376 [0,2,0,0,0,0|1,0,1]=4 5568 B14R0.394 NC(=O)CCCCCOCCCCC=O 7a_100000123541_100000139335 [0,2,0,0,0,0|1,0,1]=4 5569 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100000139335_100009817443 [0,2,0,0,0,0|1,0,1]=4 5570 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100009817443_100000139335 [0,2,0,0,0,0|1,0,1]=4 5571 B14R0.394 NC(=O)CCCCOCCCCCC=O 7a_100012022536_100000139337 [0,2,0,0,0,0|1,0,1]=4 5572 B14R0.394 NC(=O)COCCSCCCCCC=O 62a_100000076697_100000139337 [0,2,0,0,0,0|2,0,0]=4 5573 B14R0.394 NC(=O)COCCSCCCCCC=O 62a_100000139337_100000076697 [0,2,0,0,0,0|2,0,0]=4 5574 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [0,2,0,0,0,0|0,0,2]=4 5575 B14R0.394 O=C(O)COCCNCCCCCCF 269956a_100000700818_100015922095 [0,2,0,0,0,0|1,0,1]=4 5576 B14R0.394 O=C(O)COCCNCCCCCCO 269956a_100000700818_100000766143 [0,2,0,0,0,0|1,0,1]=4 5577 B14R0.394 O=C(O)CONCCCCCCCCO 269956a_100000106656_100000033203 [0,2,0,0,0,0|1,0,1]=4 5578 B14R0.394 O=CCCCCCNCCOCC(=O)O 269956a_100000700818_100000139337 [0,2,0,0,0,0|1,0,0]=3 5579 B14R0.394 O=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000139335 [0,2,0,0,0,0|0,0,2]=4 5580 B14R0.432 C=CCC(C)COCCCCCB(O)O 34a_100009832082_200009817188 [0,2,0,0,0,0|1,0,1]=4 5581 B14R0.432 C=CCC(C)COCCCCCB(O)O 7a_100009832082_200009817188 [0,2,0,0,0,0|1,0,1]=4 5582 B14R0.432 C=CCC(C)COCCCCCC(=O)N 34a_100009832082_100009817443 [0,2,0,0,0,0|1,0,0]=3 5583 B14R0.432 C=CCC(C)COCCCCCC(=O)N 7a_100009832082_100009817443 [0,2,0,0,0,0|1,0,0]=3 5584 B14R0.432 C=CCC(C)COCCCCOC(=O)C 34a_100009832082_100000033659 [0,2,0,0,0,0|2,0,0]=4 5585 B14R0.432 C=CCC(C)COCCCCOC(=O)C 7a_100009832082_100000033659 [0,2,0,0,0,0|2,0,0]=4 5586 B14R0.432 C=CCC(C)COCCCCSC(=O)C 34a_100009832082_200010402107 [0,2,0,0,0,0|2,0,0]=4 5587 B14R0.432 C=CCC(C)COCCCCSC(=O)C 7a_100009832082_200010402107 [0,2,0,0,0,0|2,0,0]=4 5588 B14R0.432 C=CC[C@@H](C)OCCCCCCB(O)O 34a_100000731007_100009817187 [0,2,0,0,0,0|1,0,1]=4 5589 B14R0.432 C=CC[C@@H](C)OCCCCCCB(O)O 7a_100000731007_100009817187 [0,2,0,0,0,0|1,0,1]=4 5590 B14R0.432 C=CC[C@@H](C)OCCCCCOC(=O)C 34a_100000731007_100000033007 [0,2,0,0,0,0|2,0,0]=4 5591 B14R0.432 C=CC[C@@H](C)OCCCCCOC(=O)C 7a_100000731007_100000033007 [0,2,0,0,0,0|2,0,0]=4 5592 B14R0.432 C=CC[C@@H](N)COCCCCCB(O)O 34a_100020615467_200009817188 [0,2,0,0,0,0|1,0,1]=4 5593 B14R0.432 C=CC[C@@H](N)COCCCCCC(=O)N 34a_100020615467_100009817443 [0,2,0,0,0,0|1,0,0]=3 5594 B14R0.432 C=CC[C@@H](N)COCCCCOC(=O)C 34a_100020615467_100000033659 [0,2,0,0,0,0|2,0,0]=4 5595 B14R0.432 C=CC[C@@H](N)COCCCCSC(=O)C 34a_100020615467_200010402107 [0,2,0,0,0,0|2,0,0]=4 5596 B14R0.2224 C=CCCCCC(=O)CCCCB(O)O 1458a_100011215552_200009817182 [0,2,0,0,0,0|1,0,1]=4 5597 B14R0.2224 C=CCCCCC(=O)CCCCC(=O)C 1458a_100011215552_100000735457 [0,2,0,0,0,0|1,0,0]=3 5598 B14R0.2224 C=CCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100011215482 [0,2,0,0,0,0|1,0,1]=4 5599 B14R0.2224 C=CCCCCC(=O)CCCOC(=O)C 1458a_100011215552_100000042594 [0,2,0,0,0,0|1,0,1]=4 5600 B14R0.2224 C=CCCCCC(=O)CCCSC(=O)C 1458a_100011215552_100000038929 [0,2,0,0,0,0|1,0,1]=4 5601 B14R0.2224 C=CCCCCC(=O)CCOCC(=O)N 1458a_100011215552_100000076697 [0,2,0,0,0,0|1,0,1]=4 5602 B14R0.2224 C=CCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100011215482 [0,2,0,0,0,0|1,0,1]=4 5603 B14R0.2224 C=CCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100011215552 [0,2,0,0,0,0|1,0,1]=4 5604 B14R0.2224 C=CCCCCC(=O)NCCCC(=O)N 527a_100000739312_100011215552 [0,2,0,0,0,0|1,0,1]=4 5605 B14R0.2224 C=CCCCCN(C)CCCCB(O)O 2230a_100012000471_200009817182 [0,2,0,0,0,0|1,0,1]=4 5606 B14R0.2224 C=CCCCCN(C)CCCCB(O)O 269982a_100012000471_200009817182 [0,2,0,0,0,0|1,0,1]=4 5607 B14R0.2224 C=CCCCCN(C)CCCCC(=O)C 269982a_100012000471_100000735457 [0,2,0,0,0,0|1,0,0]=3 5608 B14R0.2224 C=CCCCCN(C)CCCOC(=O)C 269982a_100012000471_100000042594 [0,2,0,0,0,0|2,0,0]=4 5609 B14R0.2224 C=CCCCCN(C)CCCSC(=O)C 2230a_100012000471_100000038929 [0,2,0,0,0,0|2,0,0]=4 5610 B14R0.2224 C=CCCCCN(C)CCCSC(=O)C 269982a_100012000471_100000038929 [0,2,0,0,0,0|2,0,0]=4 5611 B14R0.2224 C=CCCCCN(C)CCOCC(=O)N 2230a_100012000471_100000076697 [0,2,0,0,0,0|2,0,0]=4 5612 B14R0.2224 C=CCCCCN(C)CCOCC(=O)N 269982a_100012000471_100000076697 [0,2,0,0,0,0|2,0,0]=4 5613 B14R0.2224 C=CCOCCC(=O)CCCCC(=O)C 1458a_200011217002_100000735457 [0,2,0,0,0,0|1,0,1]=4 5614 B14R0.32 C=CCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210623 [0,2,0,0,0,0|0,0,1]=3 5615 B14R0.32 C=CCC(=O)CCCCCCC(=O)OC 1458a_100000210193_100009815986 [0,2,0,0,0,0|0,0,1]=3 5616 B14R0.32 C=CCC(=O)NCCCCCC(=O)OC 188690a_100000184999_100000210193 [0,2,0,0,0,0|1,0,1]=4 5617 B14R0.32 C=CCC(C)COCCCCC(=O)OC 34a_100009832082_100000204269 [0,2,0,0,0,0|1,0,0]=3 5618 B14R0.32 C=CCC(C)COCCCCC(=O)OC 7a_100009832082_100000204269 [0,2,0,0,0,0|1,0,0]=3 5619 B14R0.32 C=CCC(C)COCCOCC(=O)OC 34a_100009832082_100000090808 [0,2,0,0,0,0|2,0,0]=4 5620 B14R0.32 C=CCC(C)COCCOCC(=O)OC 7a_100009832082_100000090808 [0,2,0,0,0,0|2,0,0]=4 5621 B14R0.32 C=CCN(C)CCCCCCC(=O)OC 2230a_100000225617_100009815986 [0,2,0,0,0,0|1,0,0]=3 5622 B14R0.32 C=CCN(C)CCCCCCC(=O)OC 269982a_100000225617_100009815986 [0,2,0,0,0,0|1,0,0]=3 5623 B14R0.32 C=CC[C@@H](C)OCCCCCC(=O)OC 34a_100000731007_100009816466 [0,2,0,0,0,0|1,0,0]=3 5624 B14R0.32 C=CC[C@@H](C)OCCCCCC(=O)OC 7a_100000731007_100009816466 [0,2,0,0,0,0|1,0,0]=3 5625 B14R0.32 C=CC[C@@H](N)COCCCCC(=O)OC 34a_100020615467_100000204269 [0,2,0,0,0,0|1,0,0]=3 5626 B14R0.32 C=CC[C@@H](N)COCCOCC(=O)OC 34a_100020615467_100000090808 [0,2,0,0,0,0|2,0,0]=4 5627 B14R0.131 C=C[C@@H](C)[C@@H](C)OCCCCCC(=O)N 34a_100015455354_100009817443 [0,2,0,0,0,0|2,0,0]=4 5628 B14R0.131 C=C[C@@H](C)[C@@H](C)OCCCCCC(=O)N 7a_100015455354_100009817443 [0,2,0,0,0,0|2,0,0]=4 5629 B14R0.287 C=CCC(C)(C)OCCCCCC(=O)N 7a_100011995686_100009817443 [0,2,0,0,0,0|2,0,0]=4 5630 B14R0.315 C=CCC(C)C(=O)CCCCCC(=O)N 1458a_100011216819_100009817443 [0,2,0,0,0,0|1,0,1]=4 5631 B14R0.379 C=CCC(C=C)OCCCCCC(=O)N 34a_100000038011_100009817443 [0,2,0,0,0,0|2,0,0]=4 5632 B14R0.379 C=CCC(C=C)OCCCCCC(=O)N 7a_100000038011_100009817443 [0,2,0,0,0,0|2,0,0]=4 5633 B14R0.379 C=CC[C@H](CO)NCCCCCC(=O)N 2230a_100020615467_100009817443 [0,2,0,0,0,0|2,0,0]=4 5634 B14R0.427 CC(=O)CCCCNCC(O)CC(=O)O 269956a_100011218706_100000735457 [0,2,0,0,0,0|1,0,1]=4 5635 B14R0.101 C=CC(C)CC(=O)CCCCCC(=O)N 1458a_100011934298_100009817443 [0,2,0,0,0,0|1,0,1]=4 5636 B14R0.152 C=CCCC(=O)CCCCCC(=O)OC 1458a_100000749702_100009816466 [0,2,0,0,0,0|0,0,1]=3 5637 B14R0.152 C=CCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000754431 [0,2,0,0,0,0|0,0,1]=3 5638 B14R0.152 C=CCCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000749702 [0,2,0,0,0,0|1,0,1]=4 5639 B14R0.152 C=CCCC(C)OCCCCC(=O)OC 34a_100000765329_100000204269 [0,2,0,0,0,0|1,0,0]=3 5640 B14R0.152 C=CCCC(C)OCCCCC(=O)OC 7a_100000765329_100000204269 [0,2,0,0,0,0|1,0,0]=3 5641 B14R0.152 C=CCCC(C)OCCOCC(=O)OC 34a_100000765329_100000090808 [0,2,0,0,0,0|2,0,0]=4 5642 B14R0.152 C=CCCC(C)OCCOCC(=O)OC 7a_100000765329_100000090808 [0,2,0,0,0,0|2,0,0]=4 5643 B14R0.152 C=CCCN(C)CCCCCC(=O)OC 2230a_100020639649_100009816466 [0,2,0,0,0,0|1,0,0]=3 5644 B14R0.152 C=CCCN(C)CCCCCC(=O)OC 269982a_100020639649_100009816466 [0,2,0,0,0,0|1,0,0]=3 5645 B14R0.152 C=CCNC(=O)CCCCCC(=O)OC 1626a_100020586998_100009848860 [0,2,0,0,0,0|1,0,1]=4 5646 B14R0.152 C=CCNC(=O)CCCCCC(=O)OC 240690a_100020586998_100009848860 [0,2,0,0,0,0|1,0,1]=4 5647 B14R0.551 C=C(C)CCC(=O)CCCCCC(=O)N 1458a_200000688413_100009817443 [0,2,0,0,0,0|1,0,1]=4 5648 B14R0.551 C=C(C)CCC(C)NCCCCC(=O)N 270004a_100000696515_100011215600 [0,2,0,0,0,0|2,0,0]=4 5649 B14R0.82 C=CCCCCCCC(=O)CC(=O)CC 1458a_100011809334_100000747405 [0,2,0,0,0,0|1,0,1]=4 5650 B14R0.82 C=CCCCCCCC(=O)CC(=O)NC 1458a_100011809334_100000183359 [0,2,0,0,0,0|1,0,1]=4 5651 B14R0.82 C=CCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100011215473 [0,2,0,0,0,0|0,0,1]=3 5652 B14R0.82 C=CCCCCCCC(=O)CC(=O)OC 1458a_100011809334_100000747449 [0,2,0,0,0,0|0,0,1]=3 5653 B14R0.82 C=CCCCCCCN(C)CC(=O)NC 2230a_100000189611_100011215473 [0,2,0,0,0,0|2,0,0]=4 5654 B14R0.82 C=CCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011215473 [0,2,0,0,0,0|1,0,0]=3 5655 B14R0.82 C=CCCCCCOC(C)CC(=O)OC 34a_100011216702_100009817358 [0,2,0,0,0,0|1,0,0]=3 5656 B14R0.82 C=CCCCCCOC(C)CC(=O)OC 7a_100011216702_100009817358 [0,2,0,0,0,0|1,0,0]=3 5657 B14R0.82 C=CCCCCCSC(C)CC(=O)OC 62a_100000700193_100009817358 [0,2,0,0,0,0|1,0,0]=3 5658 B14R0.82 C=CCCCCCSC(C)CC(=O)OC 62a_100009817358_100000700193 [0,2,0,0,0,0|1,0,0]=3 5659 B14R0.82 C=CCCCCNC[C@H](O)CC(=O)OC 34a_100000703577_100000754131 [0,2,0,0,0,0|1,0,0]=3 5660 B14R0.82 C=CCCCCOC[C@H](O)CC(=O)OC 34a_100000766645_100000754131 [0,2,0,0,0,0|1,0,0]=3 5661 B14R0.82 C=CCCCCOC[C@H](O)CC(=O)OC 7a_100000766645_100000754131 [0,2,0,0,0,0|1,0,0]=3 5662 B14R0.82 C=CCCCCSCC(=O)CC(=O)OC 62a_100000210525_100011215482 [0,2,0,0,0,0|1,0,1]=4 5663 B14R0.82 C=CCCCCSCC(=O)CC(=O)OC 62a_100011215482_100000210525 [0,2,0,0,0,0|1,0,1]=4 5664 B14R0.82 C=CCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100011215482 [0,2,0,0,0,0|1,0,0]=3 5665 B14R0.82 C=CCCCCSC[C@H](O)CC(=O)OC 62a_100011215482_100000754131 [0,2,0,0,0,0|1,0,0]=3 5666 B14R0.82 C=CCOCCOC[C@H](O)CC(=O)OC 34a_100000037705_100000754131 [0,2,0,0,0,0|2,0,0]=4 5667 B14R0.82 C=CCOCCOC[C@H](O)CC(=O)OC 7a_100000037705_100000754131 [0,2,0,0,0,0|2,0,0]=4 5668 B14R0.82 C=COCCCCOC(C)CC(=O)OC 34a_100000031558_100009817358 [0,2,0,0,0,0|2,0,0]=4 5669 B14R0.82 C=COCCCCOC(C)CC(=O)OC 7a_100000031558_100009817358 [0,2,0,0,0,0|2,0,0]=4 5670 B14R0.82 C=COCCCNC[C@H](O)CC(=O)OC 34a_100000210767_100000754131 [0,2,0,0,0,0|2,0,0]=4 5671 B14R0.82 COC(=O)CC(C)SCCCCCC=O 62a_100000139337_100009817358 [0,2,0,0,0,0|2,0,0]=4 5672 B14R0.82 COC(=O)CC(C)SCCCCCC=O 62a_100009817358_100000139337 [0,2,0,0,0,0|2,0,0]=4 5673 B14R0.82 COC(=O)C[C@@H](O)CSCCCCC=O 62a_100000139335_100000754131 [0,2,0,0,0,0|2,0,0]=4 5674 B14R0.82 COC(=O)C[C@@H](O)CSCCCCC=O 62a_100000754131_100000139335 [0,2,0,0,0,0|2,0,0]=4 5675 B14R0.140 C=CCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000700193 [0,2,0,0,0,0|1,0,1]=4 5676 B14R0.140 C=CCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000700193 [0,2,0,0,0,0|0,0,1]=3 5677 B14R0.140 C=CCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000700193 [0,2,0,0,0,0|1,0,1]=4 5678 B14R0.140 C=CCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100011934241 [0,2,0,0,0,0|1,0,1]=4 5679 B14R0.140 C=CCCCCCN(C)CCC(=O)NC 2230a_100000750875_100000700193 [0,2,0,0,0,0|2,0,0]=4 5680 B14R0.140 C=CCCCCCN(C)CCC(=O)NC 269982a_100000750875_100000700193 [0,2,0,0,0,0|2,0,0]=4 5681 B14R0.140 C=CCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000700193 [0,2,0,0,0,0|1,0,0]=3 5682 B14R0.140 C=CCCCCNC(=O)CCC(=O)OC 11a_100000703577_100000187943 [0,2,0,0,0,0|1,0,1]=4 5683 B14R0.140 C=CCCCCNC(=O)CCC(=O)OC 1626a_100000703577_100000187943 [0,2,0,0,0,0|1,0,1]=4 5684 B14R0.140 C=CCCCCNC(=O)CCC(=O)OC 240690a_100000703577_100000187943 [0,2,0,0,0,0|1,0,1]=4 5685 B14R0.140 C=CCCCCNC(=O)CCC(=O)OC 527a_100000703577_100000187943 [0,2,0,0,0,0|1,0,1]=4 5686 B14R0.140 C=CCCCNCC(=O)CCC(=O)OC 2230a_100000700776_100000691467 [0,2,0,0,0,0|1,0,1]=4 5687 B14R0.140 C=CCCCNCC(=O)CCC(=O)OC 34a_100000700776_100000691467 [0,2,0,0,0,0|1,0,1]=4 5688 B14R0.140 C=CCCCOCC(=O)CCC(=O)OC 34a_100000758997_100000691467 [0,2,0,0,0,0|1,0,1]=4 5689 B14R0.140 C=CCCCOCC(=O)CCC(=O)OC 7a_100000758997_100000691467 [0,2,0,0,0,0|1,0,1]=4 5690 B14R0.140 C=CCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000757094 [0,2,0,0,0,0|1,0,1]=4 5691 B14R0.140 C=CCCCSCC(=O)CCC(=O)OC 62a_100011713584_100000691467 [0,2,0,0,0,0|1,0,1]=4 5692 B14R0.140 COC(=O)CCN(C)CCCCCC=O 269982a_100025711912_100000139337 [0,2,0,0,0,0|2,0,0]=4 5693 B14R0.181 C=CCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100012355270 [0,2,0,0,0,0|1,0,1]=4 5694 B14R0.181 C=CCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100011215473 [0,2,0,0,0,0|2,0,0]=4 5695 B14R0.181 C=CCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100011215473 [0,2,0,0,0,0|2,0,0]=4 5696 B14R0.181 C=CCCCCCCOC(C)C(=O)CC 7a_200011216477_100000742827 [0,2,0,0,0,0|2,0,0]=4 5697 B14R0.181 C=CCCCCCCOC(C)C(=O)NC 34a_200011216477_100000731044 [0,2,0,0,0,0|2,0,0]=4 5698 B14R0.181 C=CCCCCCCOC(C)C(=O)NC 7a_200011216477_100000209862 [0,2,0,0,0,0|2,0,0]=4 5699 B14R0.181 C=CCCCCCCOC(C)C(=O)NN 34a_100000725659_100011215473 [0,2,0,0,0,0|2,0,0]=4 5700 B14R0.181 C=CCCCCCCOC(C)C(=O)OC 34a_100011215400_100011215473 [0,2,0,0,0,0|1,0,0]=3 5701 B14R0.181 C=CCCCCCCOC(C)C(=O)OC 34a_200011216477_100000211248 [0,2,0,0,0,0|1,0,0]=3 5702 B14R0.181 C=CCCCCCCOC(C)C(=O)OC 7a_200011216477_100000211248 [0,2,0,0,0,0|1,0,0]=3 5703 B14R0.181 C=CCCCCCCOC(F)C(=O)NC 34a_200011216477_100009813575 [0,2,0,0,0,0|2,0,0]=4 5704 B14R0.181 C=CCCCCCCOC(F)C(=O)NC 7a_200011216477_100009813575 [0,2,0,0,0,0|2,0,0]=4 5705 B14R0.181 C=CCCCCCCSC(C)C(=O)CC 62a_100000742827_100011215473 [0,2,0,0,0,0|2,0,0]=4 5706 B14R0.181 C=CCCCCCCSC(C)C(=O)CC 62a_100011215473_100000742827 [0,2,0,0,0,0|2,0,0]=4 5707 B14R0.181 C=CCCCCCCSC(C)C(=O)NC 62a_100000209862_100011215473 [0,2,0,0,0,0|2,0,0]=4 5708 B14R0.181 C=CCCCCCCSC(C)C(=O)NC 62a_100011215473_100000731044 [0,2,0,0,0,0|2,0,0]=4 5709 B14R0.181 C=CCCCCCCSC(C)C(=O)OC 62a_100000211248_100011215473 [0,2,0,0,0,0|1,0,0]=3 5710 B14R0.181 C=CCCCCCCSC(C)C(=O)OC 62a_100011215473_100000211248 [0,2,0,0,0,0|1,0,0]=3 5711 B14R0.181 C=CCCCCCCSC(F)C(=O)NC 62a_100009813575_100011215473 [0,2,0,0,0,0|2,0,0]=4 5712 B14R0.181 C=CCCCCCCSC(F)C(=O)NC 62a_100011215473_100009813575 [0,2,0,0,0,0|2,0,0]=4 5713 B14R0.181 C=CCCCCCNCC(C)C(=O)NC 2230a_100015187722_100000700193 [0,2,0,0,0,0|2,0,0]=4 5714 B14R0.181 C=CCCCCCNCC(C)C(=O)NC 34a_100015187722_100000700193 [0,2,0,0,0,0|2,0,0]=4 5715 B14R0.181 C=CCCCCCOCC(=C)C(=O)OC 34a_100011216702_100009813391 [0,2,0,0,0,0|1,0,1]=4 5716 B14R0.181 C=CCCCCCOCC(=O)C(=O)OC 34a_100011216702_100011610305 [0,2,0,0,0,0|1,0,1]=4 5717 B14R0.181 C=CCCCCCOCC(C)C(=O)OC 34a_100000749362_100000700193 [0,2,0,0,0,0|1,0,0]=3 5718 B14R0.181 C=CCCCCCOCC(C)C(=O)OC 34a_100011216702_100000698445 [0,2,0,0,0,0|1,0,0]=3 5719 B14R0.181 C=CCCCCCOCC(C)C(=O)OC 7a_100000749362_100000700193 [0,2,0,0,0,0|1,0,0]=3 5720 B14R0.181 C=CCCCCCOCC(F)C(=O)OC 34a_200009849844_100000700193 [0,2,0,0,0,0|1,0,0]=3 5721 B14R0.181 C=CCCCCCOCC(N)C(=O)NN 34a_100016989258_100000700193 [0,2,0,0,0,0|2,0,0]=4 5722 B14R0.181 C=CCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000700193 [0,2,0,0,0,0|1,0,0]=3 5723 B14R0.181 C=CCCCCCSCC(=C)C(=O)OC 62a_100000700193_100009813391 [0,2,0,0,0,0|1,0,1]=4 5724 B14R0.181 C=CCCCCCSCC(=C)C(=O)OC 62a_100009813391_100000700193 [0,2,0,0,0,0|1,0,1]=4 5725 B14R0.181 C=CCCCCCSCC(=O)C(=O)OC 62a_100000700193_100011610305 [0,2,0,0,0,0|1,0,1]=4 5726 B14R0.181 C=CCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000700193 [0,2,0,0,0,0|1,0,1]=4 5727 B14R0.181 C=CCCCCCSCC(C)C(=O)OC 62a_100000698445_100000700193 [0,2,0,0,0,0|1,0,0]=3 5728 B14R0.181 C=CCCCCCSCC(C)C(=O)OC 62a_100000700193_100000698445 [0,2,0,0,0,0|1,0,0]=3 5729 B14R0.181 C=CCCCCNCCC(C)C(=O)OC 2230a_100000703577_100000034942 [0,2,0,0,0,0|1,0,0]=3 5730 B14R0.181 C=CCCCCNCCC(C)C(=O)OC 34a_100000703577_100000034942 [0,2,0,0,0,0|1,0,0]=3 5731 B14R0.181 C=CCCCCOCCC(C)C(=O)OC 34a_100000766645_100000034942 [0,2,0,0,0,0|1,0,0]=3 5732 B14R0.181 C=CCCCCOCCC(C)C(=O)OC 7a_100000766645_100000034942 [0,2,0,0,0,0|1,0,0]=3 5733 B14R0.181 C=CCCCCSCCC(C)C(=O)OC 62a_100000034942_100011215482 [0,2,0,0,0,0|1,0,0]=3 5734 B14R0.181 C=CCCCCSCCC(C)C(=O)OC 62a_100011215482_100000034942 [0,2,0,0,0,0|1,0,0]=3 5735 B14R0.181 C=CCOCCOCCC(C)C(=O)OC 34a_100000037705_100000034942 [0,2,0,0,0,0|2,0,0]=4 5736 B14R0.181 C=CCOCCOCCC(C)C(=O)OC 7a_100000037705_100000034942 [0,2,0,0,0,0|2,0,0]=4 5737 B14R0.181 C=COCCCCOCC(C)C(=O)OC 34a_100000031558_100000698445 [0,2,0,0,0,0|2,0,0]=4 5738 B14R0.181 C=COCCCNCCC(C)C(=O)OC 2230a_100000210767_100000034942 [0,2,0,0,0,0|2,0,0]=4 5739 B14R0.181 C=COCCCNCCC(C)C(=O)OC 34a_100000210767_100000034942 [0,2,0,0,0,0|2,0,0]=4 5740 B14R0.181 COC(=O)C(C)CCSCCCCC=O 62a_100000034942_100000139335 [0,2,0,0,0,0|2,0,0]=4 5741 B14R0.181 COC(=O)C(C)CCSCCCCC=O 62a_100000139335_100000034942 [0,2,0,0,0,0|2,0,0]=4 5742 B14R0.181 COC(=O)C(C)COCCCCCC=O 7a_100000749362_100000139337 [0,2,0,0,0,0|2,0,0]=4 5743 B14R0.181 COC(=O)C(C)CSCCCCCC=O 62a_100000139337_100000698445 [0,2,0,0,0,0|2,0,0]=4 5744 B14R0.181 COC(=O)C(C)CSCCCCCC=O 62a_100000698445_100000139337 [0,2,0,0,0,0|2,0,0]=4 5745 B14R0.197 C=CC(=O)CCCCCCCC(=O)OC 1458a_100000185746_100010004213 [0,2,0,0,0,0|0,0,1]=3 5746 B14R0.197 C=CC(=O)OCCCCCCC(=O)CO 1458a_100000210174_100009894100 [0,2,0,0,0,0|1,0,1]=4 5747 B14R0.197 C=CC(C)COCCCCCC(=O)OC 34a_100011215527_100009816466 [0,2,0,0,0,0|1,0,0]=3 5748 B14R0.197 C=CC(C)COCCCCCC(=O)OC 7a_100011215527_100009816466 [0,2,0,0,0,0|1,0,0]=3 5749 B14R0.197 C=CC(C)OCCCCCCC(=O)OC 34a_100000695699_100009815986 [0,2,0,0,0,0|1,0,0]=3 5750 B14R0.197 C=CC(C)SCCCCCCC(=O)OC 62a_100011215867_100009815986 [0,2,0,0,0,0|1,0,0]=3 5751 B14R0.197 C=CC(O)COCCCCCC(=O)OC 34a_100000074720_100000730141 [0,2,0,0,0,0|1,0,0]=3 5752 B14R0.197 C=CC(O)COCCCCCC(=O)OC 7a_100000074720_100000730141 [0,2,0,0,0,0|1,0,0]=3 5753 B14R0.197 C=CC(O)CSCCCCCC(=O)OC 62a_100000730141_100009816466 [0,2,0,0,0,0|1,0,0]=3 5754 B14R0.197 C=CC(O)CSCCCCCC(=O)OC 62a_100009816466_100000730141 [0,2,0,0,0,0|1,0,0]=3 5755 B14R0.197 C=C[C@H](N)COCCCCCC(=O)OC 34a_100016989147_100009816466 [0,2,0,0,0,0|1,0,0]=3 5756 B14R0.226 C=CCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000757094 [0,2,0,0,0,0|0,0,1]=3 5757 B14R0.226 C=CCCCC(=O)CCCCC(=O)OC 1458a_100000766728_100000204269 [0,2,0,0,0,0|0,0,1]=3 5758 B14R0.226 C=CCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000757094 [0,2,0,0,0,0|1,0,1]=4 5759 B14R0.226 C=CCCCC(=O)CCOCC(=O)OC 1458a_100000766728_100000090808 [0,2,0,0,0,0|1,0,1]=4 5760 B14R0.226 C=CCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000766728 [0,2,0,0,0,0|1,0,1]=4 5761 B14R0.226 C=CCCNC(=O)CCCCC(=O)OC 11a_100015191253_100000695723 [0,2,0,0,0,0|1,0,1]=4 5762 B14R0.226 C=CCCNC(=O)CCCCC(=O)OC 1626a_100015191253_100000695723 [0,2,0,0,0,0|1,0,1]=4 5763 B14R0.226 C=CCCNC(=O)CCCCC(=O)OC 240690a_100015191253_100000695723 [0,2,0,0,0,0|1,0,1]=4 5764 B14R0.226 C=CCCNC(=O)CCCCC(=O)OC 527a_100015191253_100000695723 [0,2,0,0,0,0|1,0,1]=4 5765 B14R0.226 C=CCSCC(=O)CCCCC(=O)OC 1458a_100000230395_100000204269 [0,2,0,0,0,0|1,0,1]=4 5766 B14R0.226 C=COCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000039644 [0,2,0,0,0,0|1,0,1]=4 5767 B14R0.393 C#CCC(=O)CCCCCCCCC=C 1458a_100000211349_100000184674 [0,2,0,0,0,0|1,0,0]=3 5768 B14R0.393 C#CCC(=O)CCCCCCCCC=C 1458a_100011220946_100011933949 [0,2,0,0,0,0|1,0,0]=3 5769 B14R0.393 C#CCCCCCCCCC(=O)CCO 1458a_100000029693_100000211926 [0,2,0,0,0,0|0,0,2]=4 5770 B14R0.393 C=CCCCCCCCCC(=O)C#CC 1458a_100000763181_100011933949 [0,2,0,0,0,0|1,0,0]=3 5771 B14R0.393 C=CCCCCCCCCC(=O)C=CBr 1458a_100016273825_100011933949 [0,2,0,0,0,0|1,0,0]=3 5772 B14R0.393 C=CCCCCCCCCC(=O)C=CC 1458a_100000210699_100011933949 [0,2,0,0,0,0|1,0,0]=3 5773 B14R0.393 C=CCCCCCCCCC(=O)C=CCl 1458a_200016279998_100011933949 [0,2,0,0,0,0|1,0,0]=3 5774 B14R0.393 C=CCCCCCCCCC(=O)C=CI 1458a_100016256311_100011933949 [0,2,0,0,0,0|1,0,0]=3 5775 B14R0.393 C=CCCCCCCCCC(=O)CC#N 1458a_100000211349_100011214920 [0,2,0,0,0,0|1,0,0]=3 5776 B14R0.393 C=CCCCCCCCCC(=O)CC#N 1458a_100051588842_100011933949 [0,2,0,0,0,0|1,0,0]=3 5777 B14R0.393 C=CCCCCCCCCC(=O)CC=C 1458a_100000210193_100011933949 [0,2,0,0,0,0|1,0,0]=3 5778 B14R0.393 C=CCCCCCCCCC(=O)CC=C 1458a_100000211349_100000210623 [0,2,0,0,0,0|1,0,0]=3 5779 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211349_100000210303 [0,2,0,0,0,0|1,0,0]=3 5780 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211992_100011933949 [0,2,0,0,0,0|1,0,0]=3 5781 B14R0.393 C=CCCCCCCCCC(=O)CCF 1458a_100000211349_100011217306 [0,2,0,0,0,0|1,0,0]=3 5782 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100000211349_100000211926 [0,2,0,0,0,0|0,0,0]=2 5783 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100011216618_100011933949 [0,2,0,0,0,0|0,0,0]=2 5784 B14R0.393 C=CCCCCCCCCC(=O)COC 1458a_100000210968_100011933949 [0,2,0,0,0,0|0,0,0]=2 5785 B14R0.393 C=CCCCCCCCCC(=O)CSC 1458a_100000184570_100011933949 [0,2,0,0,0,0|0,1,0]=3 5786 B14R0.393 C=CCCCCCCCCC(=O)NCC 11a_100015525214_100000211349 [0,2,0,0,0,0|1,0,0]=3 5787 B14R0.393 C=CCCCCCCCCC(=O)NCC 240690a_100015525214_100000211349 [0,2,0,0,0,0|1,0,0]=3 5788 B14R0.393 C=CCCCCCCCCC(=O)NCC 527a_100015525214_100000211349 [0,2,0,0,0,0|1,0,0]=3 5789 B14R0.393 C=CCCCCCCCCC(=O)NNC 22a_100016993582_100000211349 [0,2,0,0,0,0|1,0,0]=3 5790 B14R0.393 C=CCCCCCCCCN(C)CCO 2230a_100000210263_100011933949 [0,2,0,0,0,0|2,0,0]=4 5791 B14R0.393 C=CCCCCCCCCN(C)CCO 269982a_100000210263_100011933949 [0,2,0,0,0,0|2,0,0]=4 5792 B14R0.393 C=CCCCCCCNCC(=O)NCC 2230a_100016988866_100011215473 [0,2,0,0,0,0|2,0,0]=4 5793 B14R0.393 C=CCCCCCCOCC(=O)CCC 7a_200011216477_100000747444 [0,2,0,0,0,0|2,0,0]=4 5794 B14R0.393 C=CCCCCCCOCC(=O)NCC 34a_200011216477_100000183381 [0,2,0,0,0,0|2,0,0]=4 5795 B14R0.393 C=CCCCCCCOCC(=O)NCC 7a_200011216477_100000183381 [0,2,0,0,0,0|2,0,0]=4 5796 B14R0.393 C=CCCCCCCOCC(=O)NCO 34a_200011216477_100000185155 [0,2,0,0,0,0|1,0,0]=3 5797 B14R0.393 C=CCCCCCCOCC(=O)NCO 7a_200011216477_100000185155 [0,2,0,0,0,0|1,0,0]=3 5798 B14R0.393 C=CCCCCCCOCC(=O)OC=C 34a_200011216477_100000036128 [0,2,0,0,0,0|1,0,0]=3 5799 B14R0.393 C=CCCCCCCOCC(=O)OCC 34a_200011216477_100000188475 [0,2,0,0,0,0|1,0,0]=3 5800 B14R0.393 C=CCCCCCCOCC(=O)OCC 7a_200011216477_100000188475 [0,2,0,0,0,0|1,0,0]=3 5801 B14R0.393 C=CCCCCCCSCC(=O)CCC 62a_100000747444_100011215473 [0,2,0,0,0,0|2,0,0]=4 5802 B14R0.393 C=CCCCCCCSCC(=O)CCC 62a_100011215473_100000747444 [0,2,0,0,0,0|2,0,0]=4 5803 B14R0.393 C=CCCCCCCSCC(=O)NCC 62a_100000183381_100011215473 [0,2,0,0,0,0|2,0,0]=4 5804 B14R0.393 C=CCCCCCCSCC(=O)NCC 62a_100011215473_100000183381 [0,2,0,0,0,0|2,0,0]=4 5805 B14R0.393 C=CCCCCCCSCC(=O)NCO 62a_100000185155_100011215473 [0,2,0,0,0,0|1,0,0]=3 5806 B14R0.393 C=CCCCCCCSCC(=O)NCO 62a_100011215473_100000185155 [0,2,0,0,0,0|1,0,0]=3 5807 B14R0.393 C=CCCCCCCSCC(=O)OC=C 62a_100000036128_100011215473 [0,2,0,0,0,0|1,0,0]=3 5808 B14R0.393 C=CCCCCCCSCC(=O)OC=C 62a_100011215473_100000036128 [0,2,0,0,0,0|1,0,0]=3 5809 B14R0.393 C=CCCCCCCSCC(=O)OCC 62a_100000188475_100011215473 [0,2,0,0,0,0|1,0,0]=3 5810 B14R0.393 C=CCCCCCCSCC(=O)OCC 62a_100011215473_100000188475 [0,2,0,0,0,0|1,0,0]=3 5811 B14R0.393 C=CCCCCCNCCC(=O)NCC 34a_100025743525_100000700193 [0,2,0,0,0,0|2,0,0]=4 5812 B14R0.393 C=CCCCCCOCCC(=O)NCC 7a_100011216702_100000737597 [0,2,0,0,0,0|2,0,0]=4 5813 B14R0.393 C=CCCCCCOCCC(=O)OCC 34a_100011216702_100000765890 [0,2,0,0,0,0|1,0,0]=3 5814 B14R0.393 C=CCCCCCOCCC(=O)OCC 7a_100011216702_100011206558 [0,2,0,0,0,0|1,0,0]=3 5815 B14R0.393 C=CCCCCCSCCC(=O)NCC 62a_100000700193_100000737597 [0,2,0,0,0,0|2,0,0]=4 5816 B14R0.393 C=CCCCCCSCCC(=O)NCC 62a_100000737597_100000700193 [0,2,0,0,0,0|2,0,0]=4 5817 B14R0.393 C=CCCCCCSCCC(=O)OCC 62a_100000700193_100000765890 [0,2,0,0,0,0|1,0,0]=3 5818 B14R0.393 C=CCCCCCSCCC(=O)OCC 62a_100000765890_100000700193 [0,2,0,0,0,0|1,0,0]=3 5819 B14R0.393 C=CCCCCCSCOC(=O)OCC 62a_100000700193_100000075025 [0,2,0,0,0,0|2,0,0]=4 5820 B14R0.393 C=CCCCCNCCCC(=O)OCC 2230a_100000703577_100009991533 [0,2,0,0,0,0|1,0,0]=3 5821 B14R0.393 C=CCCCCNCCCC(=O)OCC 34a_100000703577_100009991533 [0,2,0,0,0,0|1,0,0]=3 5822 B14R0.393 C=CCCCCOCCCC(=O)OCC 34a_100000766645_100009991533 [0,2,0,0,0,0|1,0,0]=3 5823 B14R0.393 C=CCCCCOCCCC(=O)OCC 7a_100000766645_100011215271 [0,2,0,0,0,0|1,0,0]=3 5824 B14R0.393 C=CCCCCOCCCC(=O)OCC 7a_100012001163_100011215482 [0,2,0,0,0,0|1,0,0]=3 5825 B14R0.393 C=CCCCCOCCNC(=O)OCC 34a_100000158857_100011215482 [0,2,0,0,0,0|2,0,0]=4 5826 B14R0.393 C=CCCCCOCCNC(=O)OCC 7a_100000766645_200011445536 [0,2,0,0,0,0|2,0,0]=4 5827 B14R0.393 C=CCCCCSCCCC(=O)OCC 62a_100009991533_100011215482 [0,2,0,0,0,0|1,0,0]=3 5828 B14R0.393 C=CCCCCSCCCC(=O)OCC 62a_100011215482_100009991533 [0,2,0,0,0,0|1,0,0]=3 5829 B14R0.393 C=CCCCCSCCNC(=O)OCC 62a_100011215482_200011445536 [0,2,0,0,0,0|2,0,0]=4 5830 B14R0.393 C=CCCCNCCCCC(=O)OCC 2230a_100000700776_100000750268 [0,2,0,0,0,0|1,0,0]=3 5831 B14R0.393 C=CCCCNCCCCC(=O)OCC 34a_100000700776_100000750268 [0,2,0,0,0,0|1,0,0]=3 5832 B14R0.393 C=CCCCNCCOCC(=O)OCC 2230a_100000700776_100000088970 [0,2,0,0,0,0|2,0,0]=4 5833 B14R0.393 C=CCCCNCCOCC(=O)OCC 34a_100000700776_100000088970 [0,2,0,0,0,0|2,0,0]=4 5834 B14R0.393 C=CCCCOCCCCC(=O)OCC 34a_100000758997_100000750268 [0,2,0,0,0,0|1,0,0]=3 5835 B14R0.393 C=CCCCOCCCCC(=O)OCC 7a_100000758997_100000750268 [0,2,0,0,0,0|1,0,0]=3 5836 B14R0.393 C=CCCCOCCOCC(=O)OCC 34a_100000758997_100000088970 [0,2,0,0,0,0|2,0,0]=4 5837 B14R0.393 C=CCCCOCCOCC(=O)OCC 7a_100000758997_100000088970 [0,2,0,0,0,0|2,0,0]=4 5838 B14R0.393 C=CCCCOCCSCC(=O)OCC 7a_200000230590_100000757094 [0,2,0,0,0,0|2,0,0]=4 5839 B14R0.393 C=CCCCSCCCCC(=O)OCC 62a_100000750268_100000757094 [0,2,0,0,0,0|1,0,0]=3 5840 B14R0.393 C=CCCCSCCCCC(=O)OCC 62a_100011713584_100000750268 [0,2,0,0,0,0|1,0,0]=3 5841 B14R0.393 C=CCCCSCCOCC(=O)OCC 62a_100000088970_100000757094 [0,2,0,0,0,0|2,0,0]=4 5842 B14R0.393 C=CCCCSCCOCC(=O)OCC 62a_100011713584_100000088970 [0,2,0,0,0,0|2,0,0]=4 5843 B14R0.393 C=CCCNCCCCCC(=O)OCC 2230a_100015191253_100000755133 [0,2,0,0,0,0|1,0,0]=3 5844 B14R0.393 C=CCCNCCCOCC(=O)OCC 2230a_100015191253_100009893628 [0,2,0,0,0,0|2,0,0]=4 5845 B14R0.393 C=CCCOCCCCCC(=O)OCC 34a_100011205117_100000755133 [0,2,0,0,0,0|1,0,0]=3 5846 B14R0.393 C=CCCOCCCCCC(=O)OCC 7a_100011214988_100000754431 [0,2,0,0,0,0|1,0,0]=3 5847 B14R0.393 C=CCCOCCCOCC(=O)OCC 34a_100011205117_100009893628 [0,2,0,0,0,0|2,0,0]=4 5848 B14R0.393 C=CCCSCCCCCC(=O)OCC 62a_100000754431_100000755133 [0,2,0,0,0,0|1,0,0]=3 5849 B14R0.393 C=CCCSCCCCCC(=O)OCC 62a_100000755133_100000754431 [0,2,0,0,0,0|1,0,0]=3 5850 B14R0.393 C=CCCSCCCOCC(=O)OCC 62a_100000754431_100009893628 [0,2,0,0,0,0|2,0,0]=4 5851 B14R0.393 C=CCCSCCCOCC(=O)OCC 62a_100009893628_100000754431 [0,2,0,0,0,0|2,0,0]=4 5852 B14R0.393 C=CCNCCCCCCC(=O)OCC 2230a_100020586998_100009814379 [0,2,0,0,0,0|1,0,0]=3 5853 B14R0.393 C=CCOCCCCCCC(=O)OCC 34a_200000210373_100009814379 [0,2,0,0,0,0|1,0,0]=3 5854 B14R0.393 C=CCOCCOCCCC(=O)OCC 34a_100000037705_100009991533 [0,2,0,0,0,0|2,0,0]=4 5855 B14R0.393 C=CCOCCOCCCC(=O)OCC 7a_100000037705_100011215271 [0,2,0,0,0,0|2,0,0]=4 5856 B14R0.393 C=CCSCCCCCCC(=O)OCC 62a_100000210623_100009814379 [0,2,0,0,0,0|1,0,0]=3 5857 B14R0.393 C=COCCCCOCCC(=O)OCC 34a_100000031558_100000765890 [0,2,0,0,0,0|2,0,0]=4 5858 B14R0.393 C=COCCCCOCCC(=O)OCC 7a_100000031558_100011206558 [0,2,0,0,0,0|2,0,0]=4 5859 B14R0.393 C=COCCCNCCCC(=O)OCC 2230a_100000210767_100009991533 [0,2,0,0,0,0|2,0,0]=4 5860 B14R0.393 C=COCCCNCCCC(=O)OCC 34a_100000210767_100009991533 [0,2,0,0,0,0|2,0,0]=4 5861 B14R0.393 C=COCCOCCCCC(=O)OCC 34a_100000033082_100000750268 [0,2,0,0,0,0|2,0,0]=4 5862 B14R0.393 C=COCCSCCCCC(=O)OCC 62a_100000039644_100000750268 [0,2,0,0,0,0|2,0,0]=4 5863 B14R0.393 C=COCCSCCCCC(=O)OCC 62a_100000750268_100000039644 [0,2,0,0,0,0|2,0,0]=4 5864 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100000210375_100000211926 [0,2,0,0,0,0|0,0,2]=4 5865 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210319 [0,2,0,0,0,0|0,0,2]=4 5866 B14R0.393 CCCCCCCCCCC(=O)COC 1458a_100000210968_100000210319 [0,2,0,0,0,0|0,0,2]=4 5867 B14R0.393 CCOC(=O)CCCCCCCCNC 2230a_106832991635_100010175975 [0,2,0,0,0,0|1,0,1]=4 5868 B14R0.393 CCOC(=O)CCCCCCCCNC 34a_100102657272_100010175975 [0,2,0,0,0,0|1,0,1]=4 5869 B14R0.393 CCOC(=O)CCCCCCCCNC 7a_106832991635_100010175975 [0,2,0,0,0,0|1,0,1]=4 5870 B14R0.393 CCOC(=O)CCCCCCCCOC 34a_100138415774_100010175975 [0,2,0,0,0,0|1,0,1]=4 5871 B14R0.393 CCOC(=O)CCCCCCCCSC 62a_200000210301_100010175975 [0,2,0,0,0,0|1,0,1]=4 5872 B14R0.393 CCOC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010175975 [0,2,0,0,0,0|1,0,1]=4 5873 B14R0.393 CCOC(=O)CCCCCCSCC=O 62a_200015260668_100009814379 [0,2,0,0,0,0|2,0,0]=4 5874 B14R0.393 CCOC(=O)CCCCSCCCC=O 62a_100000750268_200011292268 [0,2,0,0,0,0|2,0,0]=4 5875 B14R0.393 CCOC(=O)CCCCSCCCC=O 62a_200011292268_100000750268 [0,2,0,0,0,0|2,0,0]=4 5876 B14R0.393 CCOC(=O)CCCOCCCCC=O 7a_100012001163_100000139335 [0,2,0,0,0,0|2,0,0]=4 5877 B14R0.393 CCOC(=O)CCCSCCCCC=O 62a_100000139335_100009991533 [0,2,0,0,0,0|2,0,0]=4 5878 B14R0.393 CCOC(=O)CCCSCCCCC=O 62a_100009991533_100000139335 [0,2,0,0,0,0|2,0,0]=4 5879 B14R0.393 CCOC(=O)CCSCCCCCC=O 62a_100000139337_100000765890 [0,2,0,0,0,0|2,0,0]=4 5880 B14R0.393 CCOC(=O)CCSCCCCCC=O 62a_100000765890_100000139337 [0,2,0,0,0,0|2,0,0]=4 5881 B14R0.393 COCC(=O)CCCCCCCCCO 1458a_100000210968_100009813782 [0,2,0,0,0,0|1,0,1]=4 5882 B14R0.393 O=C(CCO)CCCCCCCCCF 1458a_200009909015_100000211926 [0,2,0,0,0,0|1,0,1]=4 5883 B14R0.393 O=C(CCO)CCCCCCCCCO 1458a_100011216618_100009813782 [0,2,0,0,0,0|1,0,1]=4 5884 B14R0.178 C=CCCCCCCC(=O)C(C)C(=O)C 1458a_100011809334_100000179758 [0,2,0,0,0,0|1,0,1]=4 5885 B14R0.178 C=CCCCCCCC(=O)C(C)C(=O)N 1458a_100011809334_100000702099 [0,2,0,0,0,0|1,0,1]=4 5886 B14R0.178 C=CCCCCCCC(=O)C(F)C(=O)N 1458a_100011809334_100009813875 [0,2,0,0,0,0|1,0,1]=4 5887 B14R0.178 C=CCCCCCCC(=O)C(F)C(=O)[O-] 1458a_100011809334_100020610796 [0,2,0,0,0,0|0,0,2]=4 5888 B14R0.178 C=CCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100011215473 [0,2,0,0,0,0|1,0,0]=3 5889 B14R0.178 C=CCCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000700193 [0,2,0,0,0,0|2,0,0]=4 5890 B14R0.488 C=CCCCCCCNC(C#N)C(=O)N 2230a_100000039599_100011215473 [0,2,0,0,0,0|2,0,0]=4 5891 B14R0.488 C=CCCCCCCNC(CC)C(=O)N 2230a_100000733705_100011215473 [0,2,0,0,0,0|2,0,0]=4 5892 B14R0.488 C=CCCCCCCNC(CC)C(=O)N 34a_100000733705_100011215473 [0,2,0,0,0,0|2,0,0]=4 5893 B14R0.488 C=CCCCCCCNC(CO)C(=O)O 269956a_100000187304_100011215473 [0,2,0,0,0,0|1,0,0]=3 5894 B14R0.488 C=CCCCCCCN[C@@H](C=C)C(=O)O 269956a_100016992060_100011215473 [0,2,0,0,0,0|1,0,0]=3 5895 B14R0.488 C=CCCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100011215473 [0,2,0,0,0,0|2,0,0]=4 5896 B14R0.488 C=CCCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100011215473 [0,2,0,0,0,0|2,0,0]=4 5897 B14R0.488 C=CCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100011215473 [0,2,0,0,0,0|1,0,0]=3 5898 B14R0.488 C=CCCCCCCOC(CC)C(=O)N 34a_200011216477_100000750255 [0,2,0,0,0,0|2,0,0]=4 5899 B14R0.488 C=CCCCCCCOC(CC)C(=O)N 7a_200011216477_100000750255 [0,2,0,0,0,0|2,0,0]=4 5900 B14R0.488 C=CCCCCCCSC(CC)C(=O)N 62a_100000750255_100011215473 [0,2,0,0,0,0|2,0,0]=4 5901 B14R0.488 C=CCCCCCCSC(CC)C(=O)N 62a_100011215473_100000750255 [0,2,0,0,0,0|2,0,0]=4 5902 B14R0.549 CC(CNCCCCCC(=O)N)C(=O)O 269956a_100000749485_100009817443 [0,2,0,0,0,0|2,0,0]=4 5903 B14R0.549 NC(=O)CCCCCNCC(F)C(=O)O 269956a_100000084737_100009817443 [0,2,0,0,0,0|2,0,0]=4 5904 B14R0.2298 C=CCCCCCCNC(C)(C)C(=O)N 2230a_100000743658_100011215473 [0,2,0,0,0,0|2,0,0]=4 5905 B14R0.2298 C=CCCCCCCNC(C)(C)C(=O)N 34a_100000743658_100011215473 [0,2,0,0,0,0|2,0,0]=4 5906 B14R0.2298 C=CCCCCCCOC(C)(C)C(=O)C 34a_100000747739_100011215473 [0,2,0,0,0,0|2,0,0]=4 5907 B14R0.2298 C=CCCCCCCOC(C)(C)C(=O)C 7a_100000747739_100011215473 [0,2,0,0,0,0|2,0,0]=4 5908 B14R0.2298 C=CCCCCCCOC(C)(C)C(=O)C 7a_200011216477_100000075568 [0,2,0,0,0,0|2,0,0]=4 5909 B14R0.2298 C=CCCCCCCOC(C)(C)C(=O)N 34a_100011626353_100011215473 [0,2,0,0,0,0|2,0,0]=4 5910 B14R0.2298 C=CCCCCCCOC(C)(C)C(=O)N 34a_200011216477_100000702505 [0,2,0,0,0,0|2,0,0]=4 5911 B14R0.2298 C=CCCCCCCOC(C)(C)C(=O)N 7a_100011626353_100011215473 [0,2,0,0,0,0|2,0,0]=4 5912 B14R0.2298 C=CCCCCCCOC(C)(C)C(=O)N 7a_200011216477_100000702505 [0,2,0,0,0,0|2,0,0]=4 5913 B14R0.2298 C=CCCCCCCOC(F)(F)C(=O)N 7a_200011216477_100009811971 [0,2,0,0,0,0|2,0,0]=4 5914 B14R0.2298 C=CCCCCCCOC(F)(F)C(=O)[O-] 34a_200011216477_100020612412 [0,2,0,0,0,0|1,0,1]=4 5915 B14R0.2298 C=CCCCCCCSC(C)(C)C(=O)C 62a_100000075568_100011215473 [0,2,0,0,0,0|2,0,0]=4 5916 B14R0.2298 C=CCCCCCCSC(C)(C)C(=O)C 62a_100011215473_100000075568 [0,2,0,0,0,0|2,0,0]=4 5917 B14R0.2298 C=CCCCCCCSC(C)(C)C(=O)N 62a_100000702505_100011215473 [0,2,0,0,0,0|2,0,0]=4 5918 B14R0.2298 C=CCCCCCCSC(C)(C)C(=O)N 62a_100011215473_100000702505 [0,2,0,0,0,0|2,0,0]=4 5919 B14R0.2298 C=CCCCCCCSC(F)(F)C(=O)N 62a_100009811971_100011215473 [0,2,0,0,0,0|2,0,0]=4 5920 B14R0.2298 C=CCCCCCCSC(F)(F)C(=O)N 62a_100011215473_100009811971 [0,2,0,0,0,0|2,0,0]=4 5921 B14R0.2298 C=CCCCCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100011215473 [0,2,0,0,0,0|1,0,1]=4 5922 B14R0.2298 C=CCCCCCCSC(F)(F)C(=O)[O-] 62a_100011215473_100000745680 [0,2,0,0,0,0|1,0,1]=4 5923 B14R0.2298 C=CCCCCCNCC(C)(C)C(=O)N 2230a_100000740840_100000700193 [0,2,0,0,0,0|2,0,0]=4 5924 B14R0.2298 C=CCCCCCNCC(C)(C)C(=O)N 34a_100000740840_100000700193 [0,2,0,0,0,0|2,0,0]=4 5925 B14R0.2298 C=CCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000700193 [0,2,0,0,0,0|1,0,0]=3 5926 B14R0.2298 C=CCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000700193 [0,2,0,0,0,0|1,0,0]=3 5927 B14R0.2298 C=CCCCCCNOC(C)(C)C(=O)O 269956a_100016989451_100000700193 [0,2,0,0,0,0|2,0,0]=4 5928 B14R0.2298 C=CCCCCCOCC(C)(C)C(=O)N 34a_100011216702_200009895572 [0,2,0,0,0,0|2,0,0]=4 5929 B14R0.2298 C=CCCCCCSCC(C)(C)C(=O)N 62a_100000700193_200009895572 [0,2,0,0,0,0|2,0,0]=4 5930 B14R0.2298 C=CCCCCCSCC(C)(C)C(=O)N 62a_200009895572_100000700193 [0,2,0,0,0,0|2,0,0]=4 5931 B14R0.2298 CC(C)(CNCCCCCC=O)C(=O)O 269956a_100000693527_100000139337 [0,2,0,0,0,0|2,0,0]=4 5932 B14R0.2298 O=CCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000139337 [0,2,0,0,0,0|2,0,0]=4 5933 B14R0.93 C=CCCCCCN(CC)CCC(=O)N 2230a_100020645749_100000700193 [0,2,0,0,0,0|2,0,0]=4 5934 B14R0.489 C=CCCCCCCN(CC)CC(=O)O 269956a_100000746405_100011215473 [0,2,0,0,0,0|1,0,0]=3 5935 B14R0.489 C=CCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100011215473 [0,2,0,0,0,0|1,0,1]=4 5936 B14R0.489 C=CCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000700193 [0,2,0,0,0,0|1,0,0]=3 5937 B14R0.489 C=CCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000700193 [0,2,0,0,0,0|1,0,0]=3 5938 B14R0.489 CC[C@H](CC(=O)O)NCCCCCC=O 269956a_100016995926_100000139337 [0,2,0,0,0,0|2,0,0]=4 5939 B14R0.489 O=CCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000139337 [0,2,0,0,0,0|2,0,0]=4 5940 B14R0.2523 C=CCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100000700193 [0,2,0,0,0,0|2,0,0]=4 5941 B14R0.2523 C=CCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000700193 [0,2,0,0,0,0|1,0,0]=3 5942 B14R0.2523 C=CCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000700193 [0,2,0,0,0,0|2,0,0]=4 5943 B14R0.2523 CC(C)(CC(=O)O)NCCCCCC=O 269956a_100000755897_100000139337 [0,2,0,0,0,0|2,0,0]=4 5944 B12R1.8 C=CCCCNC1C=CCCC1 2230a_100000700776_100000751183 [1,0,0,1,0,0|2,0,0]=4 5945 B12R1.8 C=CCCCOC1C=CCCC1 34a_100011215024_100000757094 [1,0,0,1,0,0|2,0,0]=4 5946 B12R1.8 C=CCCCOC1C=CCCC1 7a_100000758997_100000751183 [1,0,0,1,0,0|2,0,0]=4 5947 B12R1.8 C=CCCCOC1CCCCO1 34a_100000033831_100000757094 [1,0,0,1,0,0|1,0,1]=4 5948 B12R1.8 C=CCCCSC1C=CCCC1 62a_100000751183_100000757094 [1,0,0,1,0,0|2,0,0]=4 5949 B12R1.8 C=CCCCSC1C=CCCC1 62a_100011713584_100000751183 [1,0,0,1,0,0|2,0,0]=4 5950 B12R1.8 C=CCCNCC1CCCCO1 2230a_100000174945_100000754431 [1,0,0,1,0,0|1,0,1]=4 5951 B12R1.8 C=CCCNCC1CCCCO1 2230a_100015191253_100000211543 [1,0,0,1,0,0|1,0,1]=4 5952 B12R1.8 C=CCCNCC1CCCCO1 34a_100000174945_100000754431 [1,0,0,1,0,0|1,0,1]=4 5953 B12R1.8 C=CCCOCC1CCC=CO1 34a_100011217868_100000754431 [1,0,0,1,0,0|1,0,1]=4 5954 B12R1.8 C=CCCOCC1CCCCO1 34a_100000211370_100000754431 [1,0,0,1,0,0|1,0,1]=4 5955 B12R1.8 C=CCCOCC1CCCCO1 34a_100011205117_100000211543 [1,0,0,1,0,0|1,0,1]=4 5956 B12R1.8 C=CCCOCC1CCCCO1 7a_100000211370_100000754431 [1,0,0,1,0,0|1,0,1]=4 5957 B12R1.8 C=CCCSCC1CCCCO1 62a_100000211543_100000754431 [1,0,0,1,0,0|1,0,1]=4 5958 B12R1.8 C=CCCSCC1CCCCO1 62a_100000754431_100000211543 [1,0,0,1,0,0|1,0,1]=4 5959 B12R1.8 C=CCNCCC1CCCCO1 2230a_100015183643_100000210623 [1,0,0,1,0,0|1,0,1]=4 5960 B12R1.8 C=CCNCCC1CCCCO1 34a_100015183643_100015514636 [1,0,0,1,0,0|1,0,1]=4 5961 B12R1.8 O=CCCCSC1C=CCCC1 62a_100000751183_200011292268 [1,0,0,1,0,0|1,0,0]=3 5962 B12R1.8 O=CCCCSC1C=CCCC1 62a_200011292268_100000751183 [1,0,0,1,0,0|1,0,0]=3 5963 B12R1.8 OCCCCNC1C=CCCC1 2230a_100000750430_100000751183 [1,0,0,1,0,0|1,0,1]=4 5964 B12R1.8 OCCCCOC1C=CCCC1 34a_100011215024_100011216708 [1,0,0,1,0,0|1,0,1]=4 5965 B12R1.8 OCCCCSC1C=CCCC1 62a_100000210776_100000751183 [1,0,0,1,0,0|1,0,1]=4 5966 B12R1.8 OCCCCSC1C=CCCC1 62a_100000751183_100000210776 [1,0,0,1,0,0|1,0,1]=4 5967 B12R1.18 C=CCNC1CCCCNC1=O 2230a_100000698827_100000210623 [1,0,0,1,0,0|2,0,0]=4 5968 B12R1.18 C=CCNC1CCCCNC1=O 2230a_100020586998_100000735217 [1,0,0,1,0,0|2,0,0]=4 5969 B12R1.18 C=CCNC1CCCCNC1=O 34a_100000698827_100015514636 [1,0,0,1,0,0|2,0,0]=4 5970 B12R1.18 C=CCSC1CCCCCC1=O 62a_100000210623_100000243696 [1,0,0,1,0,0|1,0,0]=3 5971 B12R1.18 C=CCSC1CCCCCC1=O 62a_100000243696_100000210623 [1,0,0,1,0,0|1,0,0]=3 5972 B12R1.18 C=CCSC1CCCCNC1=O 62a_100000210623_100000735217 [1,0,0,1,0,0|2,0,0]=4 5973 B12R1.18 C=CCSC1CCCCNC1=O 62a_100000735217_100000210623 [1,0,0,1,0,0|2,0,0]=4 5974 B12R1.18 O=CCSC1CCCCCC1=O 62a_100000243696_200015260668 [1,0,0,1,0,0|2,0,0]=4 5975 B12R1.18 O=CCSC1CCCCCC1=O 62a_200015260668_100000243696 [1,0,0,1,0,0|2,0,0]=4 5976 B12R1.37 C=CCCCCOC1CCCO1 34a_100000085407_100011215482 [1,0,0,1,0,0|1,0,1]=4 5977 B12R1.37 C=CCCCNCC1CCCO1 2230a_100000700776_100000203698 [1,0,0,1,0,0|1,0,1]=4 5978 B12R1.37 C=CCCCNC[C@@H]1CCCO1 2230a_100020590478_100011713584 [1,0,0,1,0,0|1,0,1]=4 5979 B12R1.37 C=CCCCNC[C@@H]1CCCO1 34a_100020590478_100000757094 [1,0,0,1,0,0|1,0,1]=4 5980 B12R1.37 C=CCCCOCC1CCCO1 34a_100000210270_100000757094 [1,0,0,1,0,0|1,0,1]=4 5981 B12R1.37 C=CCCCOCC1CCCO1 7a_100000210270_100000757094 [1,0,0,1,0,0|1,0,1]=4 5982 B12R1.37 C=CCCCOCC1CCCO1 7a_100000758997_100000203698 [1,0,0,1,0,0|1,0,1]=4 5983 B12R1.37 C=CCCCSCC1CCCO1 62a_100000203698_100000757094 [1,0,0,1,0,0|1,0,1]=4 5984 B12R1.37 C=CCCCSCC1CCCO1 62a_100011713584_100000203698 [1,0,0,1,0,0|1,0,1]=4 5985 B12R1.45 C=CCCCN1CCC[C@@H]1CO 2230a_100000745186_100011713584 [1,0,0,1,0,0|1,0,1]=4 5986 B12R1.45 C=CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000757094 [1,0,0,1,0,0|1,0,1]=4 5987 B12R1.45 C=CCCCN1CCC[C@@H]1CO 34a_100000745186_100000757094 [1,0,0,1,0,0|1,0,1]=4 5988 B12R1.121 C=CCCN1CCCCC1CO 2230a_100000210821_100000754431 [1,0,0,1,0,0|1,0,1]=4 5989 B12R1.121 C=CCCN1CCCCC1CO 269982a_100000210821_100000754431 [1,0,0,1,0,0|1,0,1]=4 5990 B12R1.121 C=CCCN1CCCCC1CO 34a_100000210821_100000754431 [1,0,0,1,0,0|1,0,1]=4 5991 B12R1.121 C=CCNC1CCCCC1CO 270004a_100020586998_100009861125 [1,0,0,1,0,0|1,0,1]=4 5992 B12R1.169 C=CCN1CCCCC1CCO 2230a_100000211664_100000210623 [1,0,0,1,0,0|1,0,1]=4 5993 B12R1.169 C=CCN1CCCCC1CCO 269982a_100000211664_100000210623 [1,0,0,1,0,0|1,0,1]=4 5994 B12R1.169 C=CCN1CCCCC1CCO 34a_100000211664_100015514636 [1,0,0,1,0,0|1,0,1]=4 5995 B12R1.267 C=CCCNC1CCCNC1=O 2230a_100000747585_100000754431 [1,0,0,1,0,0|2,0,0]=4 5996 B12R1.267 C=CCCNC1CCCNC1=O 2230a_100015191253_100000687798 [1,0,0,1,0,0|2,0,0]=4 5997 B12R1.267 C=CCCNC1CCCNC1=O 34a_100000747585_100000754431 [1,0,0,1,0,0|2,0,0]=4 5998 B12R1.267 C=CCCOC1CCCCC1=O 34a_100011205117_100000754470 [1,0,0,1,0,0|1,0,0]=3 5999 B12R1.267 C=CCCOC1CCCCC1=O 34a_100011214950_100000754431 [1,0,0,1,0,0|1,0,0]=3 6000 B12R1.267 C=CCCOC1CCCCC1O 34a_100011205117_100000038908 [1,0,0,1,0,0|1,0,1]=4 6001 B12R1.267 C=CCCOC1CCCNC1=O 34a_100000073722_100000754431 [1,0,0,1,0,0|2,0,0]=4 6002 B12R1.267 C=CCCOC1CCCNC1=O 34a_100011205117_100000687798 [1,0,0,1,0,0|2,0,0]=4 6003 B12R1.267 C=CCCOC1COCCC1=O 34a_100011205117_100012180262 [1,0,0,1,0,0|2,0,0]=4 6004 B12R1.267 C=CCCSC1CCCCC1=O 62a_100000204591_100000754431 [1,0,0,1,0,0|1,0,0]=3 6005 B12R1.267 C=CCCSC1CCCCC1=O 62a_100000754431_100000204591 [1,0,0,1,0,0|1,0,0]=3 6006 B12R1.267 C=CCCSC1CCCCC1O 62a_100000038908_100000754431 [1,0,0,1,0,0|1,0,1]=4 6007 B12R1.267 C=CCCSC1CCCCC1O 62a_100000754431_100000038908 [1,0,0,1,0,0|1,0,1]=4 6008 B12R1.267 C=CCCSC1CCCNC1=O 62a_100000687798_100000754431 [1,0,0,1,0,0|2,0,0]=4 6009 B12R1.267 C=CCCSC1CCCNC1=O 62a_100000754431_100000687798 [1,0,0,1,0,0|2,0,0]=4 6010 B12R1.267 C=CCCSC1COCCC1=O 62a_100000754431_100012180262 [1,0,0,1,0,0|2,0,0]=4 6011 B12R1.267 C=CCCSC1COCCC1=O 62a_100012180262_100000754431 [1,0,0,1,0,0|2,0,0]=4 6012 B12R1.267 C=CCNCC1CCCCC1O 34a_100011216029_100015514636 [1,0,0,1,0,0|1,0,1]=4 6013 B12R1.267 C=CCOCC1CCCCC1=O 34a_100009861125_100015514636 [1,0,0,1,0,0|1,0,0]=3 6014 B12R1.267 C=CCOCC1CCCCC1=O 7a_100009861125_100015514636 [1,0,0,1,0,0|1,0,0]=3 6015 B12R1.267 O=CCOCC1CCCCC1=O 34a_100009861125_200009817547 [1,0,0,1,0,0|2,0,0]=4 6016 B12R1.267 O=CCOCC1CCCCC1=O 7a_100009861125_200015260668 [1,0,0,1,0,0|2,0,0]=4 6017 B12R1.272 C=CCCCCNCC1CCO1 2230a_100000703577_100000103362 [1,0,0,1,0,0|1,0,1]=4 6018 B12R1.272 C=CCCCCNCC1CCO1 34a_100000703577_100000103362 [1,0,0,1,0,0|1,0,1]=4 6019 B12R1.272 C=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100011215482 [1,0,0,1,0,0|1,0,1]=4 6020 B12R1.272 C=CCCCCNC[C@@H]1CCO1 34a_100020831831_100011215482 [1,0,0,1,0,0|1,0,1]=4 6021 B12R1.272 C=CCCCCOCC1CCO1 34a_100000039022_100011215482 [1,0,0,1,0,0|1,0,1]=4 6022 B12R1.272 C=CCCCCOCC1CCO1 34a_100000766645_100000103362 [1,0,0,1,0,0|1,0,1]=4 6023 B12R1.272 C=CCCCCOCC1CCO1 7a_100000766645_100000103362 [1,0,0,1,0,0|1,0,1]=4 6024 B12R1.272 C=CCCCCSCC1CCO1 62a_100000103362_100011215482 [1,0,0,1,0,0|1,0,1]=4 6025 B12R1.272 C=CCCCCSCC1CCO1 62a_100011215482_100000103362 [1,0,0,1,0,0|1,0,1]=4 6026 B12R1.329 C=CCOC1C=CCCCCC1 34a_100000688657_100015514636 [1,0,0,1,0,0|2,0,0]=4 6027 B12R1.329 O=CCOC1C=CCCCCC1 34a_100000688657_200009817547 [1,0,0,1,0,0|1,0,0]=3 6028 B12R1.329 OCCOC1C=CCCCCC1 34a_100000688657_100000211926 [1,0,0,1,0,0|1,0,1]=4 6029 B12R1.372 C=CCCCNC1CCCC1=O 2230a_100000700776_100000211823 [1,0,0,1,0,0|1,0,0]=3 6030 B12R1.372 C=CCCCNC1CCCC1=O 34a_100000700776_100000709159 [1,0,0,1,0,0|1,0,0]=3 6031 B12R1.372 C=CCCCNC1CCNC1=O 2230a_100016995588_100011713584 [1,0,0,1,0,0|2,0,0]=4 6032 B12R1.372 C=CCCCNC1CCNC1=O 34a_100016995588_100000757094 [1,0,0,1,0,0|2,0,0]=4 6033 B12R1.372 C=CCCCNC1CCOC1=O 2230a_100000700776_100000211211 [1,0,0,1,0,0|2,0,0]=4 6034 B12R1.372 C=CCCCNC1CCOC1=O 34a_100000700776_100000211211 [1,0,0,1,0,0|2,0,0]=4 6035 B12R1.372 C=CCCCOC1CCCC1=O 34a_100000758997_100000709159 [1,0,0,1,0,0|1,0,0]=3 6036 B12R1.372 C=CCCCOC1CCCC1=O 34a_200000719330_100000757094 [1,0,0,1,0,0|1,0,0]=3 6037 B12R1.372 C=CCCCOC1CCCC1=O 7a_100000758997_100000211823 [1,0,0,1,0,0|1,0,0]=3 6038 B12R1.372 C=CCCCOC1CCOC1=O 34a_100000758997_100000211211 [1,0,0,1,0,0|2,0,0]=4 6039 B12R1.372 C=CCCCOC1CCOC1=O 7a_100000758997_100000211211 [1,0,0,1,0,0|2,0,0]=4 6040 B12R1.372 C=CCCCO[C@H]1CCNC1=O 34a_100000688343_100000757094 [1,0,0,1,0,0|2,0,0]=4 6041 B12R1.372 C=CCCCSC1CCCC1=O 62a_100000211823_100000757094 [1,0,0,1,0,0|1,0,0]=3 6042 B12R1.372 C=CCCCSC1CCCC1=O 62a_100011713584_100000211823 [1,0,0,1,0,0|1,0,0]=3 6043 B12R1.372 C=CCCCSC1CCOC1=O 62a_100000211211_100000757094 [1,0,0,1,0,0|2,0,0]=4 6044 B12R1.372 C=CCCCSC1CCOC1=O 62a_100011713584_100000211211 [1,0,0,1,0,0|2,0,0]=4 6045 B12R1.372 C=CCCCS[C@@H]1CCC[C@H]1O 62a_100011713584_200016002552 [1,0,0,1,0,0|1,0,1]=4 6046 B12R1.372 C=CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000757094 [1,0,0,1,0,0|1,0,1]=4 6047 B12R1.372 C=CCCOCC1CCNC1=O 34a_100000133458_100000754431 [1,0,0,1,0,0|2,0,0]=4 6048 B12R1.372 C=CCCSCN1CCCC1=O 62a_100000026320_100000754431 [1,0,0,1,0,0|2,0,0]=4 6049 B12R1.372 C=CCCSCN1CCCC1=O 62a_100000754431_100000026320 [1,0,0,1,0,0|2,0,0]=4 6050 B12R1.372 C=CCNCCN1CCCC1=O 2230a_100011200922_100000210623 [1,0,0,1,0,0|2,0,0]=4 6051 B12R1.372 C=CCNCCN1CCCC1=O 2230a_100020586998_100000739059 [1,0,0,1,0,0|2,0,0]=4 6052 B12R1.372 C=CCOCCN1CCCC1=O 34a_100000211209_100015514636 [1,0,0,1,0,0|2,0,0]=4 6053 B12R1.372 C=CCOCCN1CCCC1=O 34a_200000210373_100000739059 [1,0,0,1,0,0|2,0,0]=4 6054 B12R1.372 C=CCOCCN1CCCC1=O 7a_100000211209_100015514636 [1,0,0,1,0,0|2,0,0]=4 6055 B12R1.372 C=CCSCCN1CCCC1=O 62a_100000210623_100000739059 [1,0,0,1,0,0|2,0,0]=4 6056 B12R1.372 C=CCSCCN1CCCC1=O 62a_100000739059_100000210623 [1,0,0,1,0,0|2,0,0]=4 6057 B12R1.372 C=COCCOC1CCCC1=O 34a_100000033082_100000709159 [1,0,0,1,0,0|2,0,0]=4 6058 B12R1.372 C=COCCOC1CCCC1=O 34a_200000719330_100000039644 [1,0,0,1,0,0|2,0,0]=4 6059 B12R1.372 C=COCCSC1CCCC1=O 62a_100000039644_100000211823 [1,0,0,1,0,0|2,0,0]=4 6060 B12R1.372 C=COCCSC1CCCC1=O 62a_100000211823_100000039644 [1,0,0,1,0,0|2,0,0]=4 6061 B12R1.372 O=CCCCSC1CCCC1=O 62a_100000211823_200011292268 [1,0,0,1,0,0|2,0,0]=4 6062 B12R1.372 O=CCCCSC1CCCC1=O 62a_200011292268_100000211823 [1,0,0,1,0,0|2,0,0]=4 6063 B12R1.375 C=CCCCCCOCC1CO1 34a_100011216702_102125554688 [1,0,0,1,0,0|1,0,1]=4 6064 B12R1.375 C=CCCCCCOCC1CO1 7a_100011216702_102125554688 [1,0,0,1,0,0|1,0,1]=4 6065 B12R1.375 C=CCCCCCOC[C@@H]1CO1 34a_100000757423_100000700193 [1,0,0,1,0,0|1,0,1]=4 6066 B12R1.375 C=CCCCCCOC[C@@H]1CO1 7a_100011216702_100000745022 [1,0,0,1,0,0|1,0,1]=4 6067 B12R1.375 C=CCCCCCSCC1CO1 62a_100000700193_102125554688 [1,0,0,1,0,0|1,0,1]=4 6068 B12R1.375 C=CCCCCCSCC1CO1 62a_102125554688_100000700193 [1,0,0,1,0,0|1,0,1]=4 6069 B12R1.375 C=CCCCCCSC[C@@H]1CO1 62a_100000700193_100000745022 [1,0,0,1,0,0|1,0,1]=4 6070 B12R1.375 C=CCCCCCSC[C@@H]1CO1 62a_100000745022_100000700193 [1,0,0,1,0,0|1,0,1]=4 6071 B12R1.375 C=CCCCCNCCC1CO1 2230a_100000703577_100000732470 [1,0,0,1,0,0|1,0,1]=4 6072 B12R1.375 C=CCCCCNCCC1CO1 34a_100000703577_100000732470 [1,0,0,1,0,0|1,0,1]=4 6073 B12R1.375 C=CCCCCOCCC1CO1 34a_100000766645_100000732470 [1,0,0,1,0,0|1,0,1]=4 6074 B12R1.375 C=CCCCCOCCC1CO1 7a_100000766645_100000732470 [1,0,0,1,0,0|1,0,1]=4 6075 B12R1.375 C=CCCCCOCC[C@@H]1CO1 34a_100009820653_100011215482 [1,0,0,1,0,0|1,0,1]=4 6076 B12R1.375 C=CCCCCSCCC1CO1 62a_100000732470_100011215482 [1,0,0,1,0,0|1,0,1]=4 6077 B12R1.375 C=CCCCCSCCC1CO1 62a_100011215482_100000732470 [1,0,0,1,0,0|1,0,1]=4 6078 B12R1.375 C=CCCCNCCCC1CO1 2230a_100000700776_100000733510 [1,0,0,1,0,0|1,0,1]=4 6079 B12R1.375 C=CCCCNCCCC1CO1 34a_100000700776_100000733510 [1,0,0,1,0,0|1,0,1]=4 6080 B12R1.375 C=CCCCOCCCC1CO1 34a_100000758997_100000733510 [1,0,0,1,0,0|1,0,1]=4 6081 B12R1.375 C=CCCCOCCCC1CO1 7a_100000758997_100000733510 [1,0,0,1,0,0|1,0,1]=4 6082 B12R1.375 C=CCCCSCCCC1CO1 62a_100000733510_100000757094 [1,0,0,1,0,0|1,0,1]=4 6083 B12R1.375 C=CCCCSCCCC1CO1 62a_100011713584_100000733510 [1,0,0,1,0,0|1,0,1]=4 6084 B12R1.383 C=CCCCCNC1CCC1=O 34a_100000703577_100009892977 [1,0,0,1,0,0|1,0,0]=3 6085 B12R1.383 C=CCCCCOC1CCC1=O 34a_100000766645_100009892977 [1,0,0,1,0,0|1,0,0]=3 6086 B12R1.383 C=CCCCCOC1CCC1=O 7a_100000766645_100009892977 [1,0,0,1,0,0|1,0,0]=3 6087 B12R1.383 C=CCCCCSC1CCC1=O 62a_100009892977_100011215482 [1,0,0,1,0,0|1,0,0]=3 6088 B12R1.383 C=CCCCCSC1CCC1=O 62a_100011215482_100009892977 [1,0,0,1,0,0|1,0,0]=3 6089 B12R1.383 C=CCCNCCC1CCC1=O 2230a_100015191253_200016118888 [1,0,0,1,0,0|1,0,0]=3 6090 B12R1.383 C=CCCSCCC1CCC1=O 62a_100000754431_200016118888 [1,0,0,1,0,0|1,0,0]=3 6091 B12R1.383 C=CCCSCCC1CCC1=O 62a_200016118888_100000754431 [1,0,0,1,0,0|1,0,0]=3 6092 B12R1.383 C=CCOCCOC1CCC1=O 34a_100000037705_100009892977 [1,0,0,1,0,0|2,0,0]=4 6093 B12R1.383 C=CCOCCOC1CCC1=O 7a_100000037705_100009892977 [1,0,0,1,0,0|2,0,0]=4 6094 B12R1.383 C=COCCCNC1CCC1=O 34a_100000210767_100009892977 [1,0,0,1,0,0|2,0,0]=4 6095 B12R1.383 O=CCCCCSC1CCC1=O 62a_100000139335_100009892977 [1,0,0,1,0,0|2,0,0]=4 6096 B12R1.383 O=CCCCCSC1CCC1=O 62a_100009892977_100000139335 [1,0,0,1,0,0|2,0,0]=4 6097 B12R1.7 C=CCCCNC1COC(=O)O1 34a_100000700776_100000032252 [1,0,0,1,0,0|2,0,0]=4 6098 B12R1.7 C=CCCCOC1CCC(=O)C1 34a_100012614533_100000757094 [1,0,0,1,0,0|2,0,0]=4 6099 B12R1.7 C=CCCCOC1COC(=O)O1 34a_100000758997_100000032252 [1,0,0,1,0,0|2,0,0]=4 6100 B12R1.7 C=CCCCSC1COC(=O)O1 62a_100011713584_100000032252 [1,0,0,1,0,0|2,0,0]=4 6101 B12R1.7 C=CCCNCC1CNC(=O)O1 2230a_100015191253_100000181169 [1,0,0,1,0,0|2,0,0]=4 6102 B12R1.7 C=CCCNC[C@@H]1CCC(=O)N1 2230a_100015191253_100015189358 [1,0,0,1,0,0|2,0,0]=4 6103 B12R1.7 C=CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000754431 [1,0,0,1,0,0|2,0,0]=4 6104 B12R1.7 C=CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000754431 [1,0,0,1,0,0|2,0,0]=4 6105 B12R1.7 C=CCCOCC1CCC(=O)N1 34a_100000737831_100000754431 [1,0,0,1,0,0|2,0,0]=4 6106 B12R1.7 C=CCCOCC1CNC(=O)O1 34a_100011205117_100000181169 [1,0,0,1,0,0|2,0,0]=4 6107 B12R1.7 C=CCCOCC1CNC(=O)O1 34a_100011315639_100000754431 [1,0,0,1,0,0|2,0,0]=4 6108 B12R1.7 C=CCCOCC1COC(=O)O1 34a_100011205117_100000073702 [1,0,0,1,0,0|2,0,0]=4 6109 B12R1.7 C=CCCSCC1CNC(=O)O1 62a_100000181169_100000754431 [1,0,0,1,0,0|2,0,0]=4 6110 B12R1.7 C=CCCSCC1CNC(=O)O1 62a_100000754431_100000181169 [1,0,0,1,0,0|2,0,0]=4 6111 B12R1.7 C=CCCSCC1COC(=O)O1 62a_100000073702_100000754431 [1,0,0,1,0,0|2,0,0]=4 6112 B12R1.7 C=CCCSCC1COC(=O)O1 62a_100000754431_100000073702 [1,0,0,1,0,0|2,0,0]=4 6113 B12R1.7 C=CCCSC[C@@H]1CCC(=O)N1 62a_100000754431_100015189358 [1,0,0,1,0,0|2,0,0]=4 6114 B12R1.7 C=CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000754431 [1,0,0,1,0,0|2,0,0]=4 6115 B12R1.28 C=CCCOC1CCCC(=O)C1 34a_100012613340_100000754431 [1,0,0,1,0,0|2,0,0]=4 6116 B12R1.28 C=CCOCC1CCCC(=O)N1 34a_200000102386_100015514636 [1,0,0,1,0,0|2,0,0]=4 6117 B12R1.62 C=CCCCCSC1CC(=O)C1 62a_100009894365_100011215482 [1,0,0,1,0,0|2,0,0]=4 6118 B12R1.62 C=CCCCNCC1CC(=O)C1 2230a_100000700776_100009874392 [1,0,0,1,0,0|2,0,0]=4 6119 B12R1.62 C=CCCCOCC1CC(=O)C1 34a_100000101936_100000757094 [1,0,0,1,0,0|2,0,0]=4 6120 B12R1.62 C=CCCCOCC1CC(=O)C1 7a_100000758997_100009874392 [1,0,0,1,0,0|2,0,0]=4 6121 B12R1.62 C=CCCCSCC1CC(=O)C1 62a_100009874392_100000757094 [1,0,0,1,0,0|2,0,0]=4 6122 B12R1.62 C=CCCCSCC1CC(=O)C1 62a_100011713584_100009874392 [1,0,0,1,0,0|2,0,0]=4 6123 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [1,0,0,1,0,0|1,0,1]=4 6124 B12R1.125 O=C(O)CNC1CCCCC1=O 269956a_100016091260_100000204591 [1,0,0,1,0,0|2,0,0]=4 6125 B12R1.125 O=C(O)CNC1CCCCC1F 269956a_100016091260_100015423560 [1,0,0,1,0,0|2,0,0]=4 6126 B12R1.125 O=C(O)CNC1CCCCC1O 269956a_100016091260_100000038908 [1,0,0,1,0,0|2,0,0]=4 6127 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [1,0,0,1,0,0|1,0,1]=4 6128 B12R1.229 O=C(O)CNCCC1CCC1=O 269956a_100016091260_200016118888 [1,0,0,1,0,0|2,0,0]=4 6129 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [1,0,0,1,0,0|1,0,1]=4 6130 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [1,0,0,1,0,0|1,0,1]=4 6131 B12R1.252 CC(=O)CCOC1C=CCCC1 7a_100000759926_100000751183 [1,0,0,1,0,0|2,0,0]=4 6132 B12R1.252 CC(=O)CCSC1C=CCCC1 62a_100000053229_100000751183 [1,0,0,1,0,0|2,0,0]=4 6133 B12R1.252 CC(=O)CCSC1C=CCCC1 62a_100000751183_100000053229 [1,0,0,1,0,0|2,0,0]=4 6134 B12R1.252 NC(=O)CCOC1C=CCCC1 34a_100011215024_100000731001 [1,0,0,1,0,0|2,0,0]=4 6135 B12R1.252 NC(=O)CCOC1C=CCCC1 7a_100000757172_100000751183 [1,0,0,1,0,0|2,0,0]=4 6136 B12R1.252 NC(=O)CCSC1C=CCCC1 62a_100000744528_100000751183 [1,0,0,1,0,0|2,0,0]=4 6137 B12R1.252 NC(=O)CCSC1C=CCCC1 62a_100000751183_100000744528 [1,0,0,1,0,0|2,0,0]=4 6138 B12R1.252 O=C(O)CNCC1CCCCC1 269956a_100016091260_100000211423 [1,0,0,1,0,0|1,0,1]=4 6139 B12R1.252 O=C(O)CNCC1CCCCO1 269956a_100016091260_100000211543 [1,0,0,1,0,0|2,0,0]=4 6140 B12R1.252 O=C(O)CONC1C=CCCC1 269956a_100000106656_100000751183 [1,0,0,1,0,0|2,0,0]=4 6141 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [1,0,0,1,0,0|1,0,1]=4 6142 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [1,0,0,1,0,0|1,0,1]=4 6143 B12R1.283 C=CCN1CCCCC1C(=O)N 2230a_100000181395_100000210623 [1,0,0,1,0,0|2,0,0]=4 6144 B12R1.283 C=CCN1CCCCC1C(=O)N 269982a_100000181395_100000210623 [1,0,0,1,0,0|2,0,0]=4 6145 B12R1.283 C=CCN1CCCCC1C(=O)N 34a_100000181395_100015514636 [1,0,0,1,0,0|2,0,0]=4 6146 B12R1.283 C=CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210623 [1,0,0,1,0,0|1,0,0]=3 6147 B12R1.283 C=CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210623 [1,0,0,1,0,0|2,0,0]=4 6148 B12R1.283 C=CCN1CCSCC1C(=O)O 269956a_100011346106_100000210623 [1,0,0,1,0,0|2,0,0]=4 6149 B12R1.283 C=CCN1CSCCC1C(=O)O 269956a_100015185162_100000210623 [1,0,0,1,0,0|2,0,0]=4 6150 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [1,0,0,1,0,0|1,0,1]=4 6151 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [1,0,0,1,0,0|1,0,1]=4 6152 B12R1.283 O=C(O)[C@@H]1CCCC[C@H]1NCF 269956a_100009816435_100015361967 [1,0,0,1,0,0|2,0,0]=4 6153 B12R1.283 O=C(O)[C@H]1CCCCN1CCF 269956a_100000763471_100011217306 [1,0,0,1,0,0|2,0,0]=4 6154 B12R1.283 O=C(O)[C@H]1CCCCN1CCO 269956a_100000763471_100000211926 [1,0,0,1,0,0|2,0,0]=4 6155 B12R1.283 O=CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200015260668 [1,0,0,1,0,0|2,0,0]=4 6156 B12R1.386 C=CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000754431 [1,0,0,1,0,0|2,0,0]=4 6157 B12R1.386 C=CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000754431 [1,0,0,1,0,0|1,0,0]=3 6158 B12R1.386 C=CCCN1CCSC1C(=O)O 269956a_100000035718_100000754431 [1,0,0,1,0,0|2,0,0]=4 6159 B12R1.386 C=CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000754431 [1,0,0,1,0,0|2,0,0]=4 6160 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210211 [1,0,0,1,0,0|1,0,1]=4 6161 B12R1.386 O=C(O)[C@@H]1CCCN1CCCF 269956a_100000743916_100011934791 [1,0,0,1,0,0|2,0,0]=4 6162 B12R1.386 O=C(O)[C@@H]1CCCN1CCCO 269956a_100000743916_100011215043 [1,0,0,1,0,0|2,0,0]=4 6163 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [1,0,0,1,0,0|1,0,1]=4 6164 B12R1.405 O=C(O)C1CCCCCN1CF 269956a_100000758484_100015361967 [1,0,0,1,0,0|2,0,0]=4 6165 B12R1.522 C=CCCCN1CCC1C(=O)O 269956a_100000021838_100011713584 [1,0,0,1,0,0|1,0,0]=3 6166 B12R1.522 C=COCCN1CCC1C(=O)O 269956a_100000021838_100000039644 [1,0,0,1,0,0|2,0,0]=4 6167 B12R1.522 CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210326 [1,0,0,1,0,0|1,0,1]=4 6168 B12R1.522 O=C(O)C1CCN1CCCCF 269956a_100000021838_100000729493 [1,0,0,1,0,0|2,0,0]=4 6169 B12R1.522 O=C(O)C1CCN1CCCCO 269956a_100000021838_100000210776 [1,0,0,1,0,0|2,0,0]=4 6170 B12R1.522 O=CCCCN1CCC1C(=O)O 269956a_100000021838_200011292268 [1,0,0,1,0,0|2,0,0]=4 6171 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [1,0,0,1,0,0|1,0,1]=4 6172 B14R1.37 C=CCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100011215482 [0,1,0,1,0,0|1,0,1]=4 6173 B14R1.37 C=CCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215482 [0,1,0,1,0,0|0,0,1]=3 6174 B14R1.37 C=CCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000700776_100009814974 [0,1,0,1,0,0|1,0,1]=4 6175 B14R1.37 C=CCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000700776_100009814974 [0,1,0,1,0,0|1,0,1]=4 6176 B14R1.37 C=CCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000700776_100009814974 [0,1,0,1,0,0|1,0,1]=4 6177 B14R1.37 C=CCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000700776_100009814974 [0,1,0,1,0,0|1,0,1]=4 6178 B14R1.220 C=CCCCCN1CCC(C1)C(=O)N 2230a_100000752358_100011215482 [0,1,0,1,0,0|2,0,0]=4 6179 B14R1.220 C=CCCCCN1CCC(C1)C(=O)N 269982a_100000752358_100011215482 [0,1,0,1,0,0|2,0,0]=4 6180 B14R1.220 C=CCCCCN1CCC(C1)C(=O)N 34a_100000752358_100011215482 [0,1,0,1,0,0|2,0,0]=4 6181 B14R1.220 C=CCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011713584 [0,1,0,1,0,0|1,0,0]=3 6182 B14R1.220 C=COCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000039644 [0,1,0,1,0,0|2,0,0]=4 6183 B14R1.220 O=CCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200011292268 [0,1,0,1,0,0|2,0,0]=4 6184 B14R1.420 CN(CCCC(=O)O)C1C=CCCC1 269956a_100000719178_100000751183 [0,1,0,1,0,0|1,0,0]=3 6185 B14R1.760 C=CCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000754431 [0,1,0,1,0,0|1,0,0]=3 6186 B14R1.810 CC(=O)CCCC(=O)CC1C=CCC1 1458a_100000212241_100011215641 [0,1,0,1,0,0|1,0,1]=4 6187 B14R1.810 NC(=O)CCCC(=O)CC1C=CCC1 1458a_100000212241_100102525003 [0,1,0,1,0,0|1,0,1]=4 6188 B14R1.1258 C=CCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100011215482 [0,1,0,1,0,0|1,0,0]=3 6189 B14R1.1258 O=CCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000139335 [0,1,0,1,0,0|2,0,0]=4 6190 B14R1.1454 C=C(C)CCOC1C=CCCCCC1 34a_100000688657_100000730704 [0,1,0,1,0,0|2,0,0]=4 6191 B14R1.1454 CC(=O)OCOC1C=CCCCCC1 34a_100000688657_100009813279 [0,1,0,1,0,0|2,0,0]=4 6192 B14R1.1454 CC(O)CCOC1C=CCCCCC1 34a_100000688657_100012276601 [0,1,0,1,0,0|1,0,1]=4 6193 B14R1.1454 NC(=O)CCOC1C=CCCCCC1 34a_100000688657_100000731001 [0,1,0,1,0,0|1,0,0]=3 6194 B14R1.3362 C=CCCCCC(=O)CC1CC(=O)C1 1458a_100011215552_100009874392 [0,1,0,1,0,0|1,0,1]=4 6195 B14R1.3362 C=CCCCCN(C)CC1CC(=O)C1 2230a_100012000471_100009874392 [0,1,0,1,0,0|2,0,0]=4 6196 B14R1.3362 C=CCCCCN(C)CC1CC(=O)C1 269982a_100012000471_100009874392 [0,1,0,1,0,0|2,0,0]=4 6197 B14R1.4488 CN(CCCC(=O)O)C1CCCC1=O 269956a_100000719178_100000211823 [0,1,0,1,0,0|2,0,0]=4 6198 B14R1.26 C=CCCCCCN1CCCC(C1)O 2230a_100000211013_100000700193 [0,1,0,1,0,0|1,0,1]=4 6199 B14R1.26 C=CCCCCCN1CCCC(C1)O 269982a_100000211013_100000700193 [0,1,0,1,0,0|1,0,1]=4 6200 B14R1.26 C=CCCCCCN1CCNC(=O)C1 2230a_100000184651_100000700193 [0,1,0,1,0,0|2,0,0]=4 6201 B14R1.26 C=CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000700193 [0,1,0,1,0,0|2,0,0]=4 6202 B14R1.26 C=CCCCCNC1CCCC(C1)O 2230a_100015190357_100011215482 [0,1,0,1,0,0|1,0,1]=4 6203 B14R1.26 C=CCCCCNC1CCCC(C1)O 270004a_100000703577_100012613340 [0,1,0,1,0,0|1,0,1]=4 6204 B14R1.26 C=CCCCCNC1CCNC(=O)C1 2230a_100016994916_100011215482 [0,1,0,1,0,0|2,0,0]=4 6205 B14R1.26 C=CCCCCNC1CCNC(=O)C1 34a_100016994916_100011215482 [0,1,0,1,0,0|2,0,0]=4 6206 B14R1.26 C=CCCCCOC1C=C(CCC1)C 34a_100011218613_100011215482 [0,1,0,1,0,0|2,0,0]=4 6207 B14R1.26 C=CCCCCOC1CCCC(=O)C1 34a_100012613340_100011215482 [0,1,0,1,0,0|1,0,0]=3 6208 B14R1.26 C=CCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011215482 [0,1,0,1,0,0|2,0,0]=4 6209 B14R1.26 C=CCCCNCC1CCCC(C1)O 2230a_100011254705_100011713584 [0,1,0,1,0,0|1,0,1]=4 6210 B14R1.26 C=CCCCOCC1CCCC(=O)N1 34a_200000102386_100000757094 [0,1,0,1,0,0|1,0,0]=3 6211 B14R1.26 C=CCCCOCC1CCNC(=O)C1 34a_100009886756_100000757094 [0,1,0,1,0,0|2,0,0]=4 6212 B14R1.26 C=CCCCOCC1COCC(=O)N1 34a_200000101122_100000757094 [0,1,0,1,0,0|2,0,0]=4 6213 B14R1.26 C=COCCOCC1CCCC(=O)N1 34a_200000102386_100000039644 [0,1,0,1,0,0|2,0,0]=4 6214 B14R1.122 C=CCCCCCCN1CCC(C1)O 2230a_100011215560_100011215473 [0,1,0,1,0,0|1,0,1]=4 6215 B14R1.122 C=CCCCCCCN1CCC(C1)O 269982a_100011215560_100011215473 [0,1,0,1,0,0|1,0,1]=4 6216 B14R1.122 C=CCCCCCCN1CNC(=O)C1 2230a_200000708111_100011215473 [0,1,0,1,0,0|2,0,0]=4 6217 B14R1.122 C=CCCCCCNC1CNC(=O)C1 2230a_100000697751_100000700193 [0,1,0,1,0,0|2,0,0]=4 6218 B14R1.122 C=CCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000700193 [0,1,0,1,0,0|1,0,1]=4 6219 B14R1.122 C=CCCCCCOC1CCC(=O)C1 34a_100012614533_100000700193 [0,1,0,1,0,0|1,0,0]=3 6220 B14R1.122 C=CCCCCCOC1CNC(=O)C1 34a_100000690082_100000700193 [0,1,0,1,0,0|2,0,0]=4 6221 B14R1.122 C=CCCCCCOC1COC(=O)O1 34a_100011216702_100000032252 [0,1,0,1,0,0|1,0,0]=3 6222 B14R1.122 C=CCCCCCSC1COC(=O)O1 62a_100000700193_100000032252 [0,1,0,1,0,0|1,0,0]=3 6223 B14R1.122 C=CCCCCNCC1CNC(=O)C1 2230a_100016993742_100011215482 [0,1,0,1,0,0|2,0,0]=4 6224 B14R1.122 C=CCCCCNCC1CNC(=O)C1 34a_100016993742_100011215482 [0,1,0,1,0,0|2,0,0]=4 6225 B14R1.122 C=CCCCCNCC1CNC(=O)O1 2230a_100000703577_100000181169 [0,1,0,1,0,0|1,0,0]=3 6226 B14R1.122 C=CCCCCNCC1CNC(=O)O1 34a_100000703577_100000181169 [0,1,0,1,0,0|1,0,0]=3 6227 B14R1.122 C=CCCCCNCC1COC(=O)O1 34a_100000703577_100000073702 [0,1,0,1,0,0|1,0,0]=3 6228 B14R1.122 C=CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000703577_100015189358 [0,1,0,1,0,0|1,0,0]=3 6229 B14R1.122 C=CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215482 [0,1,0,1,0,0|1,0,0]=3 6230 B14R1.122 C=CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011215482 [0,1,0,1,0,0|1,0,0]=3 6231 B14R1.122 C=CCCCCNC[C@H]1COC(=O)N1 2230a_100000703577_100015307671 [0,1,0,1,0,0|2,0,0]=4 6232 B14R1.122 C=CCCCCNC[C@H]1COC(=O)N1 34a_100000703577_100015307671 [0,1,0,1,0,0|2,0,0]=4 6233 B14R1.122 C=CCCCCOCC1CCC(=O)N1 34a_100000737831_100011215482 [0,1,0,1,0,0|1,0,0]=3 6234 B14R1.122 C=CCCCCOCC1CNC(=O)C1 34a_100016041077_100011215482 [0,1,0,1,0,0|2,0,0]=4 6235 B14R1.122 C=CCCCCOCC1CNC(=O)O1 34a_100000766645_100000181169 [0,1,0,1,0,0|1,0,0]=3 6236 B14R1.122 C=CCCCCOCC1CNC(=O)O1 34a_100011315639_100011215482 [0,1,0,1,0,0|1,0,0]=3 6237 B14R1.122 C=CCCCCOCC1CNC(=O)O1 7a_100000766645_100000181169 [0,1,0,1,0,0|1,0,0]=3 6238 B14R1.122 C=CCCCCOCC1COC(=O)O1 34a_100000766645_100000073702 [0,1,0,1,0,0|1,0,0]=3 6239 B14R1.122 C=CCCCCOC[C@@H]1CCC(=O)N1 7a_100000766645_100015189358 [0,1,0,1,0,0|1,0,0]=3 6240 B14R1.122 C=CCCCCOC[C@H]1COC(=O)N1 34a_100000766645_100015307671 [0,1,0,1,0,0|2,0,0]=4 6241 B14R1.122 C=CCCCCOC[C@H]1COC(=O)N1 7a_100000766645_100015307671 [0,1,0,1,0,0|2,0,0]=4 6242 B14R1.122 C=CCCCCSCC1CNC(=O)O1 62a_100000181169_100011215482 [0,1,0,1,0,0|1,0,0]=3 6243 B14R1.122 C=CCCCCSCC1CNC(=O)O1 62a_100011215482_100000181169 [0,1,0,1,0,0|1,0,0]=3 6244 B14R1.122 C=CCCCCSCC1COC(=O)O1 62a_100000073702_100011215482 [0,1,0,1,0,0|1,0,0]=3 6245 B14R1.122 C=CCCCCSCC1COC(=O)O1 62a_100011215482_100000073702 [0,1,0,1,0,0|1,0,0]=3 6246 B14R1.122 C=CCCCCSC[C@@H]1CCC(=O)N1 62a_100011215482_100015189358 [0,1,0,1,0,0|1,0,0]=3 6247 B14R1.122 C=CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215482 [0,1,0,1,0,0|1,0,0]=3 6248 B14R1.122 C=CCCCCSC[C@H]1COC(=O)N1 62a_100011215482_100015307671 [0,1,0,1,0,0|2,0,0]=4 6249 B14R1.122 C=CCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100011215482 [0,1,0,1,0,0|2,0,0]=4 6250 B14R1.122 C=CCCCOCCC1COS(=O)O1 7a_100000758997_100009840081 [0,1,0,1,0,0|2,0,0]=4 6251 B14R1.122 C=CCCCSCCC1COS(=O)O1 62a_100011713584_100009840081 [0,1,0,1,0,0|2,0,0]=4 6252 B14R1.122 C=CCOCCOCC1CNC(=O)O1 34a_100000037705_100000181169 [0,1,0,1,0,0|2,0,0]=4 6253 B14R1.122 C=CCOCCOCC1CNC(=O)O1 7a_100000037705_100000181169 [0,1,0,1,0,0|2,0,0]=4 6254 B14R1.122 C=CCOCCOCC1COC(=O)O1 34a_100000037705_100000073702 [0,1,0,1,0,0|2,0,0]=4 6255 B14R1.122 C=CCOCCOC[C@@H]1CCC(=O)N1 7a_100000037705_100015189358 [0,1,0,1,0,0|2,0,0]=4 6256 B14R1.122 C=COCCCCOC1COC(=O)O1 34a_100000031558_100000032252 [0,1,0,1,0,0|2,0,0]=4 6257 B14R1.122 C=COCCCNCC1CNC(=O)O1 2230a_100000210767_100000181169 [0,1,0,1,0,0|2,0,0]=4 6258 B14R1.122 C=COCCCNCC1CNC(=O)O1 34a_100000210767_100000181169 [0,1,0,1,0,0|2,0,0]=4 6259 B14R1.122 C=COCCCNCC1COC(=O)O1 34a_100000210767_100000073702 [0,1,0,1,0,0|2,0,0]=4 6260 B14R1.122 C=COCCCNC[C@@H]1CCC(=O)N1 2230a_100000210767_100015189358 [0,1,0,1,0,0|2,0,0]=4 6261 B14R1.122 CC=CCCCOCC1CNC(=O)O1 34a_100020645299_100000181169 [0,1,0,1,0,0|2,0,0]=4 6262 B14R1.122 CC=CCCCOCC1COC(=O)O1 34a_100020645299_100000073702 [0,1,0,1,0,0|2,0,0]=4 6263 B14R1.122 O=CCCCCCSC1COC(=O)O1 62a_100000139337_100000032252 [0,1,0,1,0,0|2,0,0]=4 6264 B14R1.122 O=CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000139335 [0,1,0,1,0,0|2,0,0]=4 6265 B14R1.122 O=CCCCCSCC1CNC(=O)O1 62a_100000139335_100000181169 [0,1,0,1,0,0|2,0,0]=4 6266 B14R1.122 O=CCCCCSCC1CNC(=O)O1 62a_100000181169_100000139335 [0,1,0,1,0,0|2,0,0]=4 6267 B14R1.122 O=CCCCCSCC1COC(=O)O1 62a_100000073702_100000139335 [0,1,0,1,0,0|2,0,0]=4 6268 B14R1.122 O=CCCCCSCC1COC(=O)O1 62a_100000139335_100000073702 [0,1,0,1,0,0|2,0,0]=4 6269 B14R1.122 O=CCCCCSC[C@@H]1CCC(=O)N1 62a_100000139335_100015189358 [0,1,0,1,0,0|2,0,0]=4 6270 B14R1.122 O=CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000139335 [0,1,0,1,0,0|2,0,0]=4 6271 B14R1.159 CC(=O)CCCOC1CCCCC1=O 34a_100000759063_100000754470 [0,1,0,1,0,0|2,0,0]=4 6272 B14R1.159 CC(=O)CCCOC1CCCCC1=O 34a_100011214950_100000685027 [0,1,0,1,0,0|2,0,0]=4 6273 B14R1.159 CC(=O)CCCOC1CCCCC1=O 7a_100000759063_100000204591 [0,1,0,1,0,0|2,0,0]=4 6274 B14R1.159 CC(=O)CCCSC1CCCCC1=O 62a_100000204591_100011215641 [0,1,0,1,0,0|2,0,0]=4 6275 B14R1.159 CC(=O)CCCSC1CCCCC1=O 62a_100011215641_100000204591 [0,1,0,1,0,0|2,0,0]=4 6276 B14R1.159 CC(=O)CCOCC1CCCCC1=O 7a_100009861125_100000053229 [0,1,0,1,0,0|2,0,0]=4 6277 B14R1.159 CN1CCCCC1CCNCC(=O)O 269956a_100016091260_100000211948 [0,1,0,1,0,0|1,0,1]=4 6278 B14R1.159 NC(=O)CCCNC1CCCCC1=O 34a_100000739312_100000754470 [0,1,0,1,0,0|2,0,0]=4 6279 B14R1.159 NC(=O)CCCOC1CCCCC1=O 34a_100011214950_100102525003 [0,1,0,1,0,0|2,0,0]=4 6280 B14R1.159 NC(=O)CCCSC1CCCCC1=O 62a_100000204591_100102525003 [0,1,0,1,0,0|2,0,0]=4 6281 B14R1.159 NC(=O)CCCSC1CCCCC1=O 62a_100102525003_100000204591 [0,1,0,1,0,0|2,0,0]=4 6282 B14R1.159 NC(=O)CCOCC1CCCCC1=O 34a_100009861125_100000731001 [0,1,0,1,0,0|2,0,0]=4 6283 B14R1.159 NC(=O)CCOCC1CCCCC1=O 7a_100009861125_100000744528 [0,1,0,1,0,0|2,0,0]=4 6284 B14R1.168 CC(=O)CCCCOC1CCCC1=O 34a_200000719330_100009817362 [0,1,0,1,0,0|2,0,0]=4 6285 B14R1.168 CC(=O)CCCCSC1CCCC1=O 62a_100000211823_100000735457 [0,1,0,1,0,0|2,0,0]=4 6286 B14R1.168 CC(=O)CCCCSC1CCCC1=O 62a_100000735457_100000211823 [0,1,0,1,0,0|2,0,0]=4 6287 B14R1.168 NC(=O)CCCCNC1CCCC1=O 34a_100000696515_100000709159 [0,1,0,1,0,0|2,0,0]=4 6288 B14R1.168 NC(=O)CCCCOC1CCCC1=O 34a_100012022536_100000709159 [0,1,0,1,0,0|2,0,0]=4 6289 B14R1.168 NC(=O)CCCCOC1CCCC1=O 7a_100012022536_100000211823 [0,1,0,1,0,0|2,0,0]=4 6290 B14R1.168 O=C(O)COCCNC1CCCC1=O 269956a_100000700818_100000211823 [0,1,0,1,0,0|2,0,0]=4 6291 B14R1.221 C=CCCCCCCCOCC1CO1 34a_100000730831_102125554688 [0,1,0,1,0,0|1,0,1]=4 6292 B14R1.221 C=CCCCCCCCOCC1CO1 7a_100000730831_102125554688 [0,1,0,1,0,0|1,0,1]=4 6293 B14R1.221 C=CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100012355270 [0,1,0,1,0,0|1,0,1]=4 6294 B14R1.221 C=CCCCCCCCOC[C@@H]1CO1 7a_100000730831_100000745022 [0,1,0,1,0,0|1,0,1]=4 6295 B14R1.221 C=CCCCCCCCSCC1CO1 62a_100012355270_102125554688 [0,1,0,1,0,0|1,0,1]=4 6296 B14R1.221 C=CCCCCCCCSCC1CO1 62a_102125554688_100012355270 [0,1,0,1,0,0|1,0,1]=4 6297 B14R1.221 C=CCCCCCCCSC[C@@H]1CO1 62a_100000745022_100012355270 [0,1,0,1,0,0|1,0,1]=4 6298 B14R1.221 C=CCCCCCCCSC[C@@H]1CO1 62a_100012355270_100000745022 [0,1,0,1,0,0|1,0,1]=4 6299 B14R1.221 C=CCCCCCCOCCC1CO1 34a_200011216477_100000732470 [0,1,0,1,0,0|1,0,1]=4 6300 B14R1.221 C=CCCCCCCOCCC1CO1 7a_200011216477_100000732470 [0,1,0,1,0,0|1,0,1]=4 6301 B14R1.221 C=CCCCCCCOCC[C@@H]1CO1 34a_100009820653_100011215473 [0,1,0,1,0,0|1,0,1]=4 6302 B14R1.221 C=CCCCCCCSCCC1CO1 62a_100000732470_100011215473 [0,1,0,1,0,0|1,0,1]=4 6303 B14R1.221 C=CCCCCCCSCCC1CO1 62a_100011215473_100000732470 [0,1,0,1,0,0|1,0,1]=4 6304 B14R1.221 C=CCCCCCOCCCC1CO1 34a_100011216702_100000733510 [0,1,0,1,0,0|1,0,1]=4 6305 B14R1.221 C=CCCCCCOCCCC1CO1 7a_100011216702_100000733510 [0,1,0,1,0,0|1,0,1]=4 6306 B14R1.221 C=CCCCCCSCCCC1CO1 62a_100000700193_100000733510 [0,1,0,1,0,0|1,0,1]=4 6307 B14R1.221 C=CCCCCCSCCCC1CO1 62a_100000733510_100000700193 [0,1,0,1,0,0|1,0,1]=4 6308 B14R1.233 C#CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100010269958 [0,1,0,1,0,0|0,0,2]=4 6309 B14R1.233 C=CCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100011215482 [0,1,0,1,0,0|0,0,2]=4 6310 B14R1.233 C=CCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011215482 [0,1,0,1,0,0|1,0,0]=3 6311 B14R1.233 C=CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215482 [0,1,0,1,0,0|0,0,0]=2 6312 B14R1.233 C=CCCCCN1CCSC1C(=O)O 269956a_100000035718_100011215482 [0,1,0,1,0,0|1,0,0]=3 6313 B14R1.233 C=CCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011215482 [0,1,0,1,0,0|1,0,0]=3 6314 B14R1.233 C=CCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000754431 [0,1,0,1,0,0|2,0,0]=4 6315 B14R1.233 C=CCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000754431 [0,1,0,1,0,0|2,0,0]=4 6316 B14R1.233 C=CCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000754431 [0,1,0,1,0,0|2,0,0]=4 6317 B14R1.233 C=CCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000754431 [0,1,0,1,0,0|2,0,0]=4 6318 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210757 [0,1,0,1,0,0|0,0,2]=4 6319 B14R1.233 COCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000730899 [0,1,0,1,0,0|1,0,1]=4 6320 B14R1.233 N#CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011219923 [0,1,0,1,0,0|1,0,1]=4 6321 B14R1.233 NC(=O)[C@@H]1CCCN1CCCCC=O 2230a_100000003125_100000139335 [0,1,0,1,0,0|2,0,0]=4 6322 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCF 269956a_100000743916_100000729378 [0,1,0,1,0,0|1,0,1]=4 6323 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCO 269956a_100000743916_100000746330 [0,1,0,1,0,0|1,0,1]=4 6324 B14R1.233 O=CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000139335 [0,1,0,1,0,0|1,0,0]=3 6325 B14R1.233 O=CCCCCN1CCSC1C(=O)O 269956a_100000035718_100000139335 [0,1,0,1,0,0|2,0,0]=4 6326 B14R1.233 O=CCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000139335 [0,1,0,1,0,0|2,0,0]=4 6327 B14R1.325 CC(=O)CCCOCCC1CCC1=O 7a_100000759063_200016118888 [0,1,0,1,0,0|2,0,0]=4 6328 B14R1.325 CC(=O)CCCSCCC1CCC1=O 62a_100011215641_200016118888 [0,1,0,1,0,0|2,0,0]=4 6329 B14R1.325 CC(=O)CCCSCCC1CCC1=O 62a_200016118888_100011215641 [0,1,0,1,0,0|2,0,0]=4 6330 B14R1.325 NC(=O)CCCCCOC1CCC1=O 34a_100000123541_100009892977 [0,1,0,1,0,0|2,0,0]=4 6331 B14R1.325 NC(=O)CCCCCOC1CCC1=O 7a_100000123541_100009892977 [0,1,0,1,0,0|2,0,0]=4 6332 B14R1.325 NC(=O)CCCCCSC1CCC1=O 62a_100009817443_100009892977 [0,1,0,1,0,0|2,0,0]=4 6333 B14R1.325 NC(=O)CCCCCSC1CCC1=O 62a_100009892977_100009817443 [0,1,0,1,0,0|2,0,0]=4 6334 B14R1.325 NC(=O)CCCSCCC1CCC1=O 62a_100102525003_200016118888 [0,1,0,1,0,0|2,0,0]=4 6335 B14R1.325 NC(=O)CCCSCCC1CCC1=O 62a_200016118888_100102525003 [0,1,0,1,0,0|2,0,0]=4 6336 B14R1.325 O=C([O-])CCCCCOC1CCC1=O 7a_100102619762_100009892977 [0,1,0,1,0,0|1,0,1]=4 6337 B14R1.329 CC(=O)CCOC1CCCCCC1=O 7a_100000759926_100000243696 [0,1,0,1,0,0|2,0,0]=4 6338 B14R1.329 CC(=O)CCSC1CCCCCC1=O 62a_100000053229_100000243696 [0,1,0,1,0,0|2,0,0]=4 6339 B14R1.329 CC(=O)CCSC1CCCCCC1=O 62a_100000243696_100000053229 [0,1,0,1,0,0|2,0,0]=4 6340 B14R1.329 NC(=O)CCOC1CCCCCC1=O 7a_100000757172_100000243696 [0,1,0,1,0,0|2,0,0]=4 6341 B14R1.329 NC(=O)CCSC1CCCCCC1=O 62a_100000243696_100000744528 [0,1,0,1,0,0|2,0,0]=4 6342 B14R1.329 NC(=O)CCSC1CCCCCC1=O 62a_100000744528_100000243696 [0,1,0,1,0,0|2,0,0]=4 6343 B14R1.329 O=C(O)CONC1CCCCCC1=O 269956a_100000106656_100000243696 [0,1,0,1,0,0|2,0,0]=4 6344 B14R1.422 CC(=O)CCCCOC1C=CCCC1 34a_100011215024_100009817362 [0,1,0,1,0,0|1,0,0]=3 6345 B14R1.422 CC(=O)CCCCOC1CC=CCC1 34a_100000073881_100009817362 [0,1,0,1,0,0|2,0,0]=4 6346 B14R1.422 CC(=O)CCCCSC1C=CCCC1 62a_100000735457_100000751183 [0,1,0,1,0,0|1,0,0]=3 6347 B14R1.422 CC(=O)CCCCSC1C=CCCC1 62a_100000751183_100000735457 [0,1,0,1,0,0|1,0,0]=3 6348 B14R1.422 CC(=O)CCCOCC1CC=CCC1 34a_100000210713_100000685027 [0,1,0,1,0,0|2,0,0]=4 6349 B14R1.422 CC(=O)CCCOCC1CCC=CO1 34a_100011217868_100000685027 [0,1,0,1,0,0|2,0,0]=4 6350 B14R1.422 CC(=O)OCCCOC1C=CCCC1 34a_100011215024_100000042594 [0,1,0,1,0,0|2,0,0]=4 6351 B14R1.422 CC(=O)OCCCSC1C=CCCC1 62a_100000042594_100000751183 [0,1,0,1,0,0|2,0,0]=4 6352 B14R1.422 CC(=O)OCCCSC1C=CCCC1 62a_100000751183_100000042594 [0,1,0,1,0,0|2,0,0]=4 6353 B14R1.422 CC(=O)SCCCOC1C=CCCC1 34a_100011215024_100000038929 [0,1,0,1,0,0|2,0,0]=4 6354 B14R1.422 CC(=O)SCCCSC1C=CCCC1 62a_100000038929_100000751183 [0,1,0,1,0,0|2,0,0]=4 6355 B14R1.422 CC(=O)SCCCSC1C=CCCC1 62a_100000751183_100000038929 [0,1,0,1,0,0|2,0,0]=4 6356 B14R1.422 NC(=O)CCCCCN1CC=CCC1 2230a_100000698166_100009817443 [0,1,0,1,0,0|2,0,0]=4 6357 B14R1.422 NC(=O)CCCCCN1CC=CCC1 269982a_100000698166_100009817443 [0,1,0,1,0,0|2,0,0]=4 6358 B14R1.422 NC(=O)CCCCCN1CC=CCC1 34a_100000698166_100009817443 [0,1,0,1,0,0|2,0,0]=4 6359 B14R1.422 NC(=O)CCCCOC1C=CCCC1 7a_100012022536_100000751183 [0,1,0,1,0,0|1,0,0]=3 6360 B14R1.422 NC(=O)CCCOCC1CC=CCC1 34a_100000210713_100102525003 [0,1,0,1,0,0|2,0,0]=4 6361 B14R1.422 NC(=O)CCCOCC1CCC=CO1 34a_100011217868_100102525003 [0,1,0,1,0,0|2,0,0]=4 6362 B14R1.422 NC(=O)COCCOC1C=CCCC1 34a_100011215024_100000076697 [0,1,0,1,0,0|2,0,0]=4 6363 B14R1.422 NC(=O)COCCSC1C=CCCC1 62a_100000076697_100000751183 [0,1,0,1,0,0|2,0,0]=4 6364 B14R1.422 NC(=O)COCCSC1C=CCCC1 62a_100000751183_100000076697 [0,1,0,1,0,0|2,0,0]=4 6365 B14R1.422 O=C(O)CNCCCC1CCCCC1 269956a_100016091260_100011713725 [0,1,0,1,0,0|0,0,2]=4 6366 B14R1.422 O=C(O)COCCNC1C=CCCC1 269956a_100000700818_100000751183 [0,1,0,1,0,0|1,0,0]=3 6367 B14R1.422 O=[N+]([O-])CCCCOC1C=CCCC1 7a_200015379883_100000751183 [0,1,0,1,0,0|1,0,1]=4 6368 B14R1.422 OB(O)CCCCOC1C=CCCC1 34a_100011215024_200009817182 [0,1,0,1,0,0|1,0,1]=4 6369 B14R1.422 OB(O)CCCCSC1C=CCCC1 62a_100000751183_200009817182 [0,1,0,1,0,0|1,0,1]=4 6370 B14R1.422 OB(O)CCCCSC1C=CCCC1 62a_200009817182_100000751183 [0,1,0,1,0,0|1,0,1]=4 6371 B14R1.427 CC(=O)CCCCOCC1CC=CC1 34a_100000688395_100009817362 [0,1,0,1,0,0|2,0,0]=4 6372 B14R1.427 NC(=O)CCCCCNC1CC=CC1 2230a_100015188752_100009817443 [0,1,0,1,0,0|2,0,0]=4 6373 B14R1.482 C#CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000184674 [0,1,0,1,0,0|0,0,2]=4 6374 B14R1.482 C=CCC1CCCCC1NCC(C)O 269862a_100000210904_100011214939 [0,1,0,1,0,0|1,0,1]=4 6375 B14R1.482 C=CCC1CCCCC1NCC(C)O 270004a_100000210904_100011214939 [0,1,0,1,0,0|1,0,1]=4 6376 B14R1.482 C=CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210623 [0,1,0,1,0,0|0,0,0]=2 6377 B14R1.482 CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210207 [0,1,0,1,0,0|0,0,2]=4 6378 B14R1.482 COCN1CCCCC1CCC(=O)O 269956a_100000694054_100000766300 [0,1,0,1,0,0|1,0,1]=4 6379 B14R1.482 CSCN1CCCCC1CCC(=O)O 269956a_100000694054_100011218213 [0,1,0,1,0,0|1,0,1]=4 6380 B14R1.482 N#CCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215382 [0,1,0,1,0,0|1,0,1]=4 6381 B14R1.482 O=C(O)CCC1CCCCN1CCF 269956a_100000694054_100011217306 [0,1,0,1,0,0|1,0,1]=4 6382 B14R1.482 O=C(O)CCC1CCCCN1CCO 269956a_100000694054_100000211926 [0,1,0,1,0,0|1,0,1]=4 6383 B14R1.482 O=CCN1CCCCC1CCC(=O)O 269956a_100000694054_200015260668 [0,1,0,1,0,0|1,0,0]=3 6384 B14R1.651 C#CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000688953 [0,1,0,1,0,0|0,0,2]=4 6385 B14R1.651 C/C=C/CN1CCCCCC1C(=O)O 269956a_100000758484_100102629194 [0,1,0,1,0,0|1,0,0]=3 6386 B14R1.651 C=CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000754431 [0,1,0,1,0,0|0,0,0]=2 6387 B14R1.651 CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210211 [0,1,0,1,0,0|0,0,2]=4 6388 B14R1.651 COCCN1CCCCCC1C(=O)O 269956a_100000758484_100000233755 [0,1,0,1,0,0|1,0,1]=4 6389 B14R1.651 CSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000212216 [0,1,0,1,0,0|1,0,1]=4 6390 B14R1.651 N#CCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215226 [0,1,0,1,0,0|1,0,1]=4 6391 B14R1.651 O=C(O)C1CCCCCN1CCCF 269956a_100000758484_100011934791 [0,1,0,1,0,0|1,0,1]=4 6392 B14R1.651 O=C(O)C1CCCCCN1CCCO 269956a_100000758484_100011215043 [0,1,0,1,0,0|1,0,1]=4 6393 B14R1.767 C=CCCCCCCCN1CC(C1)O 269982a_100000749847_100012355270 [0,1,0,1,0,0|1,0,1]=4 6394 B14R1.767 C=CCCCCCCNC1CC(=C)C1 2230a_100132301982_100011215473 [0,1,0,1,0,0|2,0,0]=4 6395 B14R1.767 C=CCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011215473 [0,1,0,1,0,0|1,0,1]=4 6396 B14R1.767 C=CCCCCCCSC1CC(=O)C1 62a_100009894365_100011215473 [0,1,0,1,0,0|1,0,0]=3 6397 B14R1.767 C=CCCCCCNCC1CC(=C)C1 2230a_100102567296_100000700193 [0,1,0,1,0,0|2,0,0]=4 6398 B14R1.767 C=CCCCCCNCC1CC(=C)C1 34a_100102567296_100000700193 [0,1,0,1,0,0|2,0,0]=4 6399 B14R1.767 C=CCCCCCNCC1CC(C1)O 2230a_100016992100_100000700193 [0,1,0,1,0,0|1,0,1]=4 6400 B14R1.767 C=CCCCCCOCC1CC(=C)C1 34a_100011011225_100000700193 [0,1,0,1,0,0|2,0,0]=4 6401 B14R1.767 C=CCCCCCOCC1CC(=O)C1 34a_100000101936_100000700193 [0,1,0,1,0,0|1,0,0]=3 6402 B14R1.767 C=CCCCCCOCC1CC(=O)C1 7a_100011216702_100009874392 [0,1,0,1,0,0|1,0,0]=3 6403 B14R1.767 C=CCCCCCSCC1CC(=O)C1 62a_100000700193_100009874392 [0,1,0,1,0,0|1,0,0]=3 6404 B14R1.767 C=CCCCCCSCC1CC(=O)C1 62a_100009874392_100000700193 [0,1,0,1,0,0|1,0,0]=3 6405 B14R1.767 C=COCCCCOCC1CC(=O)C1 7a_100000031558_100009874392 [0,1,0,1,0,0|2,0,0]=4 6406 B14R1.767 O=CCCCCCSCC1CC(=O)C1 62a_100000139337_100009874392 [0,1,0,1,0,0|2,0,0]=4 6407 B14R1.767 O=CCCCCCSCC1CC(=O)C1 62a_100009874392_100000139337 [0,1,0,1,0,0|2,0,0]=4 6408 B14R1.786 C/C=C/CN1CCCCC1CC(=O)N 269982a_100015184752_100102629194 [0,1,0,1,0,0|2,0,0]=4 6409 B14R1.786 C/C=C/CN1CCCCC1CC(=O)N 34a_100015184752_100102629194 [0,1,0,1,0,0|2,0,0]=4 6410 B14R1.786 C=CCCN1CCCCC1CC(=O)N 2230a_100015184752_100000754431 [0,1,0,1,0,0|1,0,0]=3 6411 B14R1.786 C=CCCN1CCCCC1CC(=O)N 269982a_100015184752_100000754431 [0,1,0,1,0,0|1,0,0]=3 6412 B14R1.786 C=CCCN1CCCCC1CC(=O)N 34a_100015184752_100000754431 [0,1,0,1,0,0|1,0,0]=3 6413 B14R1.786 CC=CCN1CCCCC1CC(=O)N 2230a_100015184752_100000070051 [0,1,0,1,0,0|2,0,0]=4 6414 B14R1.786 CC=CCN1CCCCC1CC(=O)N 34a_100015184752_100000070051 [0,1,0,1,0,0|2,0,0]=4 6415 B14R1.903 C#CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215417 [0,1,0,1,0,0|0,0,2]=4 6416 B14R1.903 C#CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000688953 [0,1,0,1,0,0|0,0,2]=4 6417 B14R1.903 C/C=C/CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100102629194 [0,1,0,1,0,0|1,0,0]=3 6418 B14R1.903 C=CCCCN1CCCCC1C(=O)N 2230a_100000181395_100011713584 [0,1,0,1,0,0|1,0,0]=3 6419 B14R1.903 C=CCCCN1CCCCC1C(=O)N 269982a_100000181395_100000757094 [0,1,0,1,0,0|1,0,0]=3 6420 B14R1.903 C=CCCCN1CCCCC1C(=O)N 34a_100000181395_100000757094 [0,1,0,1,0,0|1,0,0]=3 6421 B14R1.903 C=CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011713584 [0,1,0,1,0,0|0,0,0]=2 6422 B14R1.903 C=CCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011713584 [0,1,0,1,0,0|1,0,0]=3 6423 B14R1.903 C=CCCCN1CCSCC1C(=O)O 269956a_100011346106_100011713584 [0,1,0,1,0,0|1,0,0]=3 6424 B14R1.903 C=CCCCN1CSCCC1C(=O)O 269956a_100015185162_100011713584 [0,1,0,1,0,0|1,0,0]=3 6425 B14R1.903 C=CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000754431 [0,1,0,1,0,0|0,0,0]=2 6426 B14R1.903 C=COCCN1CCCCC1C(=O)N 2230a_100000181395_100000039644 [0,1,0,1,0,0|2,0,0]=4 6427 B14R1.903 C=COCCN1CCCCC1C(=O)N 269982a_100000181395_100000039644 [0,1,0,1,0,0|2,0,0]=4 6428 B14R1.903 C=COCCN1CCCCC1C(=O)N 34a_100000181395_100000039644 [0,1,0,1,0,0|2,0,0]=4 6429 B14R1.903 C=COCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000039644 [0,1,0,1,0,0|1,0,0]=3 6430 B14R1.903 C=COCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000039644 [0,1,0,1,0,0|2,0,0]=4 6431 B14R1.903 C=COCCN1CCSCC1C(=O)O 269956a_100011346106_100000039644 [0,1,0,1,0,0|2,0,0]=4 6432 B14R1.903 C=COCCN1CSCCC1C(=O)O 269956a_100015185162_100000039644 [0,1,0,1,0,0|2,0,0]=4 6433 B14R1.903 CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210326 [0,1,0,1,0,0|0,0,2]=4 6434 B14R1.903 CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210211 [0,1,0,1,0,0|0,0,2]=4 6435 B14R1.903 COCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000740836 [0,1,0,1,0,0|1,0,1]=4 6436 B14R1.903 COCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000233755 [0,1,0,1,0,0|1,0,1]=4 6437 B14R1.903 CSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000212216 [0,1,0,1,0,0|1,0,1]=4 6438 B14R1.903 N#CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000687738 [0,1,0,1,0,0|1,0,1]=4 6439 B14R1.903 N#CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215226 [0,1,0,1,0,0|1,0,1]=4 6440 B14R1.903 NC(=O)C1CCCCN1CCCC=O 2230a_100000181395_200011292268 [0,1,0,1,0,0|2,0,0]=4 6441 B14R1.903 NC(=O)C1CCCCN1CCCC=O 269982a_100000181395_200011292268 [0,1,0,1,0,0|2,0,0]=4 6442 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCF 269956a_100009816435_100011934791 [0,1,0,1,0,0|1,0,1]=4 6443 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCO 269956a_100009816435_100011215043 [0,1,0,1,0,0|1,0,1]=4 6444 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCF 269956a_100000763471_100000729493 [0,1,0,1,0,0|1,0,1]=4 6445 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCO 269956a_100000763471_100000210776 [0,1,0,1,0,0|1,0,1]=4 6446 B14R1.903 O=CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200011292268 [0,1,0,1,0,0|1,0,0]=3 6447 B14R1.903 O=CCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200011292268 [0,1,0,1,0,0|2,0,0]=4 6448 B14R1.903 O=CCCCN1CCSCC1C(=O)O 269956a_100011346106_200011292268 [0,1,0,1,0,0|2,0,0]=4 6449 B14R1.903 O=CCCCN1CSCCC1C(=O)O 269956a_100015185162_200011292268 [0,1,0,1,0,0|2,0,0]=4 6450 B14R1.1252 C=CCCCCN1CCCCC(C1)O 2230a_100025706797_100011215482 [0,1,0,1,0,0|1,0,1]=4 6451 B14R1.1252 C=CCCCCN1CCCCC(C1)O 269982a_100025706797_100011215482 [0,1,0,1,0,0|1,0,1]=4 6452 B14R1.1252 C=CCCCCN1CCCNC(=O)C1 2230a_100015190381_100011215482 [0,1,0,1,0,0|2,0,0]=4 6453 B14R1.3129 C=CCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100011215482 [0,1,0,1,0,0|1,0,1]=4 6454 B14R1.3129 C=CCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100011215482 [0,1,0,1,0,0|1,0,1]=4 6455 B14R1.3447 C#CCCCCCN1CCC1C(=O)O 269956a_100000021838_100012094781 [0,1,0,1,0,0|0,0,2]=4 6456 B14R1.3447 C=CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000700193 [0,1,0,1,0,0|0,0,0]=2 6457 B14R1.3447 CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210614 [0,1,0,1,0,0|0,0,2]=4 6458 B14R1.3447 N#CCCCCCN1CCC1C(=O)O 269956a_100000021838_100009813376 [0,1,0,1,0,0|1,0,1]=4 6459 B14R1.3447 O=C(O)C1CCN1CCCCCCF 269956a_100000021838_100015922095 [0,1,0,1,0,0|1,0,1]=4 6460 B14R1.3447 O=C(O)C1CCN1CCCCCCO 269956a_100000021838_100000766143 [0,1,0,1,0,0|1,0,1]=4 6461 B14R1.3447 O=CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000139337 [0,1,0,1,0,0|1,0,0]=3 6462 B14R1.5254 CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210202 [0,1,0,1,0,0|0,0,2]=4 6463 B14R1.5254 O=C(O)[C@H]1CCCCCC[C@H]1NCF 269956a_200049070474_100015361967 [0,1,0,1,0,0|1,0,1]=4 6464 B14R1.148 C=C(C)CCOCC1CCCC(=O)N1 34a_200000102386_100000730704 [0,1,0,1,0,0|2,0,0]=4 6465 B14R1.148 CC(=O)CCCOC1C=C(CCC1)C 34a_100011218613_100000685027 [0,1,0,1,0,0|2,0,0]=4 6466 B14R1.148 CC1=CC(CCC1)OCCCC(=O)N 34a_100011218613_100102525003 [0,1,0,1,0,0|2,0,0]=4 6467 B14R1.340 C=C1CC(C1)CNCCCCC(=O)C 34a_100102567296_100009817362 [0,1,0,1,0,0|2,0,0]=4 6468 B14R1.340 C=C1CC(C1)COCCCCC(=O)C 34a_100011011225_100009817362 [0,1,0,1,0,0|2,0,0]=4 6469 B14R1.340 C=C1CC(C1)NCCCCCC(=O)N 2230a_100132301982_100009817443 [0,1,0,1,0,0|2,0,0]=4 6470 B14R1.468 C=CCN1CCCC(C1)CCC(=O)N 2230a_100011533967_100000210623 [0,1,0,1,0,0|2,0,0]=4 6471 B14R1.468 C=CCN1CCCC(C1)CCC(=O)N 269982a_100011533967_100000210623 [0,1,0,1,0,0|2,0,0]=4 6472 B14R1.468 C=CCN1CCCC(C1)CCC(=O)N 34a_100011533967_100015514636 [0,1,0,1,0,0|2,0,0]=4 6473 B14R1.519 C=CCC(C)COCC1CNC(=O)O1 34a_100009832082_100000181169 [0,1,0,1,0,0|2,0,0]=4 6474 B14R1.519 C=CCC(C)COCC1CNC(=O)O1 7a_100009832082_100000181169 [0,1,0,1,0,0|2,0,0]=4 6475 B14R1.519 C=CCC(C)COCC1COC(=O)O1 34a_100009832082_100000073702 [0,1,0,1,0,0|2,0,0]=4 6476 B14R1.519 C=CCC(C)COC[C@@H]1CCC(=O)N1 7a_100009832082_100015189358 [0,1,0,1,0,0|2,0,0]=4 6477 B14R1.519 C=CC[C@@H](N)COCC1CNC(=O)O1 34a_100020615467_100000181169 [0,1,0,1,0,0|2,0,0]=4 6478 B14R1.519 C=CC[C@@H](N)COCC1COC(=O)O1 34a_100020615467_100000073702 [0,1,0,1,0,0|2,0,0]=4 6479 B14R1.623 C=CCC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_100000210623 [0,1,0,1,0,0|1,0,1]=4 6480 B14R1.128 CC(=O)CCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000685027 [0,1,0,1,0,0|2,0,0]=4 6481 B14R1.128 NC(=O)CCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100102525003 [0,1,0,1,0,0|2,0,0]=4 6482 B14R1.155 C=CCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100000762624 [0,1,0,1,0,0|2,0,0]=4 6483 B14R1.155 C=CCCC(C)OCC1CNC(=O)O1 34a_100000765329_100000181169 [0,1,0,1,0,0|2,0,0]=4 6484 B14R1.155 C=CCCC(C)OCC1CNC(=O)O1 7a_100000765329_100000181169 [0,1,0,1,0,0|2,0,0]=4 6485 B14R1.155 C=CCCC(C)OCC1COC(=O)O1 34a_100000765329_100000073702 [0,1,0,1,0,0|2,0,0]=4 6486 B14R1.155 C=CCCC(C)OC[C@@H]1CCC(=O)N1 7a_100000765329_100015189358 [0,1,0,1,0,0|2,0,0]=4 6487 B14R1.778 C=CCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000754431 [0,1,0,1,0,0|1,0,0]=3 6488 B14R1.778 C=CCCN1CCOC(C1)CC(=O)O 269956a_100015183369_100000754431 [0,1,0,1,0,0|2,0,0]=4 6489 B14R1.942 C=CCCC(C)N1CCC[C@H]1C(=O)N 270004a_100000003125_100000762624 [0,1,0,1,0,0|2,0,0]=4 6490 B14R1.9 C=CCCNCC1CCCC(=O)N1C 2230a_200010383782_100000754431 [0,1,0,1,0,0|2,0,0]=4 6491 B14R1.9 C=CCCNCC1CCCC(=O)N1C 34a_200010383782_100000754431 [0,1,0,1,0,0|2,0,0]=4 6492 B14R1.14 C=CCCCCNC1CCC(=O)NC1 2230a_100000748762_100011215482 [0,1,0,1,0,0|2,0,0]=4 6493 B14R1.14 C=CCCCCNC1CCC(=O)NC1 34a_100000748762_100011215482 [0,1,0,1,0,0|2,0,0]=4 6494 B14R1.14 C=CCCCCOC1CCC(=O)CC1 34a_100000764474_100011215482 [0,1,0,1,0,0|2,0,0]=4 6495 B14R1.14 C=CCCCCOC1CCC(=O)CC1 7a_100000764474_100011215482 [0,1,0,1,0,0|2,0,0]=4 6496 B14R1.14 C=CCCCCOC1CCC(=O)NC1 34a_100000079199_100011215482 [0,1,0,1,0,0|2,0,0]=4 6497 B14R1.14 C=CCCCOCC1CCC(=O)CC1 34a_100000062911_100000757094 [0,1,0,1,0,0|2,0,0]=4 6498 B14R1.229 C=CCCCCCCOC1CCC1=O 34a_200011216477_100009892977 [0,1,0,1,0,0|2,0,0]=4 6499 B14R1.229 C=CCCCCCCOC1CCC1=O 7a_200011216477_100009892977 [0,1,0,1,0,0|2,0,0]=4 6500 B14R1.229 C=CCCCCCCSC1CCC1=O 62a_100009892977_100011215473 [0,1,0,1,0,0|2,0,0]=4 6501 B14R1.229 C=CCCCCCCSC1CCC1=O 62a_100011215473_100009892977 [0,1,0,1,0,0|2,0,0]=4 6502 B14R1.229 C=CCCCCNCCC1CCC1=O 2230a_100000703577_200016118888 [0,1,0,1,0,0|2,0,0]=4 6503 B14R1.229 C=CCCCCOCCC1CCC1=O 7a_100000766645_200016118888 [0,1,0,1,0,0|2,0,0]=4 6504 B14R1.229 C=CCCCCSCCC1CCC1=O 62a_100011215482_200016118888 [0,1,0,1,0,0|2,0,0]=4 6505 B14R1.229 C=CCCCCSCCC1CCC1=O 62a_200016118888_100011215482 [0,1,0,1,0,0|2,0,0]=4 6506 B14R1.483 C=CCN1CCOCC1CC(=O)OC 2230a_100000731486_100000210623 [0,1,0,1,0,0|2,0,0]=4 6507 B14R1.483 C=CCN1CCOCC1CC(=O)OC 34a_100000731486_100015514636 [0,1,0,1,0,0|2,0,0]=4 6508 B14R1.709 COC(=O)CSC1CCCCCC1=O 62a_100000243696_100000747449 [0,1,0,1,0,0|2,0,0]=4 6509 B14R1.709 COC(=O)CSC1CCCCCC1=O 62a_100000747449_100000243696 [0,1,0,1,0,0|2,0,0]=4 6510 B14R1.716 CNC(=O)CCCNC1C=CCCC1 2230a_100000740002_100000751183 [0,1,0,1,0,0|2,0,0]=4 6511 B14R1.716 CNC(=O)CCCOC1C=CCCC1 34a_100011215024_100000741757 [0,1,0,1,0,0|2,0,0]=4 6512 B14R1.716 CNC(=O)CCCSC1C=CCCC1 62a_100000741757_100000751183 [0,1,0,1,0,0|2,0,0]=4 6513 B14R1.716 CNC(=O)CCCSC1C=CCCC1 62a_100000751183_100000741757 [0,1,0,1,0,0|2,0,0]=4 6514 B14R1.716 COC(=O)CCCOC1C=CCCC1 34a_100011215024_100000742333 [0,1,0,1,0,0|1,0,0]=3 6515 B14R1.716 COC(=O)CCCSC1C=CCCC1 62a_100000751183_100011218270 [0,1,0,1,0,0|1,0,0]=3 6516 B14R1.716 COC(=O)CCCSC1C=CCCC1 62a_100011218270_100000751183 [0,1,0,1,0,0|1,0,0]=3 6517 B14R1.789 C=CCCN1CCCCC1C(=O)NC 2230a_100011209383_100000754431 [0,1,0,1,0,0|2,0,0]=4 6518 B14R1.789 C=CCCN1CCCCC1C(=O)NC 269982a_100011209383_100000754431 [0,1,0,1,0,0|2,0,0]=4 6519 B14R1.789 C=CCCN1CCCCC1C(=O)NC 34a_100011209383_100000754431 [0,1,0,1,0,0|2,0,0]=4 6520 B14R1.789 C=CCCN1CCCCC1C(=O)OC 2230a_100000734855_100000754431 [0,1,0,1,0,0|1,0,0]=3 6521 B14R1.789 C=CCCN1CCCCC1C(=O)OC 269982a_100000734855_100000754431 [0,1,0,1,0,0|1,0,0]=3 6522 B14R1.789 C=CCCN1CCCCC1C(=O)OC 34a_100000734855_100000754431 [0,1,0,1,0,0|1,0,0]=3 6523 B14R1.789 C=CCCN1CCOCC1C(=O)OC 2230a_100000765174_100000754431 [0,1,0,1,0,0|2,0,0]=4 6524 B14R1.789 C=CCCN1CCOCC1C(=O)OC 34a_100000765174_100000754431 [0,1,0,1,0,0|2,0,0]=4 6525 B14R1.789 C=CCOC1CCNCC1C(=O)OC 34a_200103168510_100015514636 [0,1,0,1,0,0|2,0,0]=4 6526 B14R1.789 C=CCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100015514636 [0,1,0,1,0,0|1,0,0]=3 6527 B14R1.789 C=CCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100015514636 [0,1,0,1,0,0|1,0,0]=3 6528 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCC=O 34a_100015709673_200009817547 [0,1,0,1,0,0|2,0,0]=4 6529 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCC=O 7a_100015709673_200015260668 [0,1,0,1,0,0|2,0,0]=4 6530 B14R1.800 C=CCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000754431 [0,1,0,1,0,0|1,0,0]=3 6531 B14R1.800 C=CCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000754431 [0,1,0,1,0,0|1,0,0]=3 6532 B14R1.800 C=CCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000754431 [0,1,0,1,0,0|1,0,0]=3 6533 B14R1.819 COC(=O)CCCOC1CCCC1=O 34a_200000719330_100000742333 [0,1,0,1,0,0|2,0,0]=4 6534 B14R1.819 COC(=O)CCCSC1CCCC1=O 62a_100000211823_100011218270 [0,1,0,1,0,0|2,0,0]=4 6535 B14R1.819 COC(=O)CCCSC1CCCC1=O 62a_100011218270_100000211823 [0,1,0,1,0,0|2,0,0]=4 6536 B14R1.831 COC(=O)CCCCOC1CCC1=O 34a_100000059025_100009892977 [0,1,0,1,0,0|2,0,0]=4 6537 B14R1.831 COC(=O)CCCCOC1CCC1=O 7a_100000059025_100009892977 [0,1,0,1,0,0|2,0,0]=4 6538 B14R1.831 COC(=O)CCCCSC1CCC1=O 62a_100000204269_100009892977 [0,1,0,1,0,0|2,0,0]=4 6539 B14R1.831 COC(=O)CCCCSC1CCC1=O 62a_100009892977_100000204269 [0,1,0,1,0,0|2,0,0]=4 6540 B14R1.831 COC(=O)CCSCCC1CCC1=O 62a_100000204255_200016118888 [0,1,0,1,0,0|2,0,0]=4 6541 B14R1.831 COC(=O)CCSCCC1CCC1=O 62a_200016118888_100000204255 [0,1,0,1,0,0|2,0,0]=4 6542 B14R1.837 COC(=O)CCOC1CCCCC1=O 34a_100011214950_100000742370 [0,1,0,1,0,0|2,0,0]=4 6543 B14R1.837 COC(=O)CCSC1CCCCC1=O 62a_100000204255_100000204591 [0,1,0,1,0,0|2,0,0]=4 6544 B14R1.837 COC(=O)CCSC1CCCCC1=O 62a_100000204591_100000204255 [0,1,0,1,0,0|2,0,0]=4 6545 B14R1.837 COC(=O)COCC1CCCCC1=O 34a_100009861125_100000747449 [0,1,0,1,0,0|2,0,0]=4 6546 B14R1.837 COC(=O)COCC1CCCCC1=O 7a_100009861125_100000747449 [0,1,0,1,0,0|2,0,0]=4 6547 B14R1.913 C=CCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100011713584 [0,1,0,1,0,0|2,0,0]=4 6548 B14R1.913 C=CCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000757094 [0,1,0,1,0,0|2,0,0]=4 6549 B14R1.913 C=CCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000757094 [0,1,0,1,0,0|2,0,0]=4 6550 B14R1.913 C=CCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100011713584 [0,1,0,1,0,0|1,0,0]=3 6551 B14R1.913 C=CCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000757094 [0,1,0,1,0,0|1,0,0]=3 6552 B14R1.913 C=CCCCN1CCSC1C(=O)OC 2230a_100015296106_100011713584 [0,1,0,1,0,0|2,0,0]=4 6553 B14R1.913 C=CCCCN1CCSC1C(=O)OC 269982a_100015296106_100000757094 [0,1,0,1,0,0|2,0,0]=4 6554 B14R1.913 C=CCCCN1CSCC1C(=O)OC 269982a_200000724679_100000757094 [0,1,0,1,0,0|2,0,0]=4 6555 B14R1.913 C=CCCOC1CCCC1C(=O)OC 34a_200000081814_100000754431 [0,1,0,1,0,0|1,0,0]=3 6556 B14R1.913 C=CCCOC1CCCC1C(=O)OC 7a_200000081814_100000754431 [0,1,0,1,0,0|1,0,0]=3 6557 B14R1.913 C=COCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000039644 [0,1,0,1,0,0|2,0,0]=4 6558 B14R1.913 C=COCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000039644 [0,1,0,1,0,0|2,0,0]=4 6559 B14R1.913 COC(=O)[C@@H]1CCCN1CCCC=O 2230a_100000752040_200011292268 [0,1,0,1,0,0|2,0,0]=4 6560 B14R1.913 COC(=O)[C@@H]1CCCN1CCCC=O 269982a_100000752040_200011292268 [0,1,0,1,0,0|2,0,0]=4 6561 B14R1.2350 C=CCCCCCN1CC1C(=O)OC 2230a_200009830135_100000700193 [0,1,0,1,0,0|1,0,0]=3 6562 B14R1.2350 COC(=O)C1CN1CCCCCC=O 2230a_200009830135_100000139337 [0,1,0,1,0,0|2,0,0]=4 6563 B14R1.4297 C=CCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011215482 [0,1,0,1,0,0|1,0,0]=3 6564 B14R1.4297 C=CCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100011215482 [0,1,0,1,0,0|1,0,0]=3 6565 B14R1.4297 COC(=O)[C@@H]1CCN1CCCCC=O 2230a_102516456887_100000139335 [0,1,0,1,0,0|2,0,0]=4 6566 B14R1.4297 COC(=O)[C@@H]1CCN1CCCCC=O 269982a_102516456887_100000139335 [0,1,0,1,0,0|2,0,0]=4 6567 B14R1.7684 CNC(=O)COC1C=CCCCCC1 34a_100000688657_100000183359 [0,1,0,1,0,0|2,0,0]=4 6568 B14R1.7684 COC(=O)COC1C=CCCCCC1 34a_100000688657_100000747449 [0,1,0,1,0,0|1,0,0]=3 6569 B14R1.161 CC(CNC1CCCCC1=O)C(=O)O 269956a_100000749485_100000204591 [0,1,0,1,0,0|2,0,0]=4 6570 B14R1.161 O=C(O)C(F)CNC1CCCCC1=O 269956a_100000084737_100000204591 [0,1,0,1,0,0|2,0,0]=4 6571 B14R1.246 CC(CNCCC1CCC1=O)C(=O)O 269956a_100000749485_200016118888 [0,1,0,1,0,0|2,0,0]=4 6572 B14R1.246 O=C(O)C(F)CNCCC1CCC1=O 269956a_100000084737_200016118888 [0,1,0,1,0,0|2,0,0]=4 6573 B14R1.328 C[C@H](NC1CCCCCC1=O)C(=O)O 269956a_100000743915_100000243696 [0,1,0,1,0,0|2,0,0]=4 6574 B14R1.899 C=CCCCN1CCCC(C1)C(=O)N 2230a_100000195536_100011713584 [0,1,0,1,0,0|2,0,0]=4 6575 B14R1.899 C=CCCCN1CCCC(C1)C(=O)N 269982a_100000195536_100000757094 [0,1,0,1,0,0|2,0,0]=4 6576 B14R1.899 C=CCCCN1CCCC(C1)C(=O)N 34a_100000195536_100000757094 [0,1,0,1,0,0|2,0,0]=4 6577 B14R1.899 C=CCCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000754431 [0,1,0,1,0,0|2,0,0]=4 6578 B14R1.899 C=CCCNC1CCCC(C1)C(=O)N 34a_100000749473_100000754431 [0,1,0,1,0,0|2,0,0]=4 6579 B14R1.899 C=CCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000754431 [0,1,0,1,0,0|1,0,0]=3 6580 B14R1.1375 C=CCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000754431 [0,1,0,1,0,0|1,0,0]=3 6581 B14R1.2354 C=CCCCCCN1CC(C1)C(=O)N 34a_100025753142_100000700193 [0,1,0,1,0,0|2,0,0]=4 6582 B14R1.2354 C=CCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011215482 [0,1,0,1,0,0|1,0,0]=3 6583 B14R1.2354 O=CCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000139335 [0,1,0,1,0,0|2,0,0]=4 6584 B14R1.2455 C=CCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100011713584 [0,1,0,1,0,0|1,0,0]=3 6585 B14R1.2455 C=COCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000039644 [0,1,0,1,0,0|2,0,0]=4 6586 B14R1.2455 C[C@]1(CCCN1CCCC=O)C(=O)O 269956a_100009816582_200011292268 [0,1,0,1,0,0|2,0,0]=4 6587 B14R1.10072 CC(OC1C=CCCCCC1)C(=O)N 34a_100000688657_100000702099 [0,1,0,1,0,0|2,0,0]=4 6588 B14R1.10072 NC(=O)C(F)OC1C=CCCCCC1 34a_100000688657_100009813875 [0,1,0,1,0,0|2,0,0]=4 6589 B14R1.10072 O=C([O-])C(F)OC1C=CCCCCC1 34a_100000688657_100020610796 [0,1,0,1,0,0|1,0,1]=4 6590 B14R1.67 C=CCCN1CCN(CC1C(=O)O)C 269956a_100020626280_100000754431 [0,1,0,1,0,0|2,0,0]=4 6591 B14R1.67 C=CCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000754431 [0,1,0,1,0,0|1,0,0]=3 6592 B14R1.895 C=CCCCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100011713584 [0,1,0,1,0,0|2,0,0]=4 6593 B14R1.895 C=CCCCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000757094 [0,1,0,1,0,0|2,0,0]=4 6594 B14R1.895 C=CCCCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100011713584 [0,1,0,1,0,0|2,0,0]=4 6595 B14R1.895 C=CCCCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000757094 [0,1,0,1,0,0|2,0,0]=4 6596 B14R1.895 C=CCCCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000757094 [0,1,0,1,0,0|2,0,0]=4 6597 B14R1.895 C=CCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100011713584 [0,1,0,1,0,0|1,0,0]=3 6598 B14R1.895 C=CCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011713584 [0,1,0,1,0,0|1,0,0]=3 6599 B14R1.895 C=COCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000039644 [0,1,0,1,0,0|2,0,0]=4 6600 B14R1.895 C=COCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000039644 [0,1,0,1,0,0|2,0,0]=4 6601 B14R1.895 O=CCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200011292268 [0,1,0,1,0,0|2,0,0]=4 6602 B14R1.895 O=CCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200011292268 [0,1,0,1,0,0|2,0,0]=4 6603 B14R1.4520 C=CCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000700193 [0,1,0,1,0,0|1,0,1]=4 6604 B14R1.814 C=C(C)CN1CCCCC1CC(=O)N 2230a_100015184752_100000748629 [0,1,0,1,0,0|2,0,0]=4 6605 B14R1.814 C=C(C)CN1CCCCC1CC(=O)N 269982a_100015184752_100000748629 [0,1,0,1,0,0|2,0,0]=4 6606 B14R1.814 C=C(C)CN1CCCCC1CC(=O)N 34a_100015184752_100000748629 [0,1,0,1,0,0|2,0,0]=4 6607 B14R1.814 C=C(F)CN1CCCCC1CC(=O)N 2230a_100015184752_100009893438 [0,1,0,1,0,0|2,0,0]=4 6608 B14R1.814 C=C(F)CN1CCCCC1CC(=O)N 269982a_100015184752_100009893438 [0,1,0,1,0,0|2,0,0]=4 6609 B14R1.814 C=C(F)CN1CCCCC1CC(=O)N 34a_100015184752_100009893438 [0,1,0,1,0,0|2,0,0]=4 6610 B14R1.4522 C=C(C)CCN1CCCCC1C(=O)N 2230a_100000181395_100000730704 [0,1,0,1,0,0|2,0,0]=4 6611 B14R1.4522 C=C(C)CCN1CCCCC1C(=O)N 269982a_100000181395_100000730704 [0,1,0,1,0,0|2,0,0]=4 6612 B14R1.4522 C=C(C)CCN1CCCCC1C(=O)N 34a_100000181395_100000730704 [0,1,0,1,0,0|2,0,0]=4 6613 B14R1.4522 C=C(C)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000730704 [0,1,0,1,0,0|1,0,0]=3 6614 B14R1.4522 C=C(C)CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000730704 [0,1,0,1,0,0|2,0,0]=4 6615 B14R1.4522 C=C(C)CCN1CCSCC1C(=O)O 269956a_100011346106_100000730704 [0,1,0,1,0,0|2,0,0]=4 6616 B14R1.4522 C=C(C)CCN1CSCCC1C(=O)O 269956a_100015185162_100000730704 [0,1,0,1,0,0|2,0,0]=4 6617 B14R1.4522 C=C(C)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000748629 [0,1,0,1,0,0|1,0,0]=3 6618 B14R1.4522 C=C(F)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000042424 [0,1,0,1,0,0|1,0,0]=3 6619 B14R1.4522 CC(=O)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000053229 [0,1,0,1,0,0|1,0,1]=4 6620 B14R1.4522 NC(=O)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000744528 [0,1,0,1,0,0|2,0,0]=4 6621 B14R1.4522 NC(=O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000187820 [0,1,0,1,0,0|2,0,0]=4 6622 B14R1.4522 O=C([O-])CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100020667443 [0,1,0,1,0,0|2,0,0]=4 6623 B14R1.6316 CC(=O)CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215641 [0,1,0,1,0,0|1,0,1]=4 6624 B14R1.6316 NC(=O)CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100102525003 [0,1,0,1,0,0|2,0,0]=4 6625 B14R1.6325 C=C(C)CN1CCCCCC1C(=O)O 269956a_100000758484_100000748629 [0,1,0,1,0,0|1,0,0]=3 6626 B14R1.6325 C=C(F)CN1CCCCCC1C(=O)O 269956a_100000758484_100000042424 [0,1,0,1,0,0|1,0,0]=3 6627 B14R1.6325 NC(=O)CN1CCCCCC1C(=O)O 269956a_100000758484_100000187820 [0,1,0,1,0,0|2,0,0]=4 6628 B14R1.6325 O=C([O-])CN1CCCCCC1C(=O)O 269956a_100000758484_100020667443 [0,1,0,1,0,0|2,0,0]=4 6629 B14R1.6344 CC(=O)CCCCN1CCC1C(=O)O 269956a_100000021838_100000735457 [0,1,0,1,0,0|1,0,1]=4 6630 B14R1.20 C=CCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000757094 [0,1,0,1,0,0|1,0,1]=4 6631 B14R1.157 C=CCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000757094 [0,1,0,1,0,0|1,0,1]=4 6632 B14R1.157 C=CCCCC(=O)CC1CNC(=O)O1 1458a_100000766728_100000181169 [0,1,0,1,0,0|1,0,1]=4 6633 B14R1.157 C=CCCCC(=O)CC1COC(=O)O1 1458a_100000766728_100000073702 [0,1,0,1,0,0|1,0,1]=4 6634 B14R1.157 C=CCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000766728_100015189358 [0,1,0,1,0,0|1,0,1]=4 6635 B14R1.886 C=CCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100011713584 [0,1,0,1,0,0|1,0,0]=3 6636 B14R1.886 C=COCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000039644 [0,1,0,1,0,0|2,0,0]=4 6637 B14R1.886 O=CCCCN1CCC(C1)CC(=O)O 269956a_100000719201_200011292268 [0,1,0,1,0,0|2,0,0]=4 6638 B14R1.7480 C=CCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000754431 [0,1,0,1,0,0|1,0,0]=3 6639 B14R1.744 C=CC(C)N1CCCCC1CC(=O)N 269982a_100015184752_100011215867 [0,1,0,1,0,0|2,0,0]=4 6640 B14R1.1025 C=CC(O)COCC1CCCC(=O)N1 34a_200000102386_100000730141 [0,1,0,1,0,0|2,0,0]=4 6641 B14R1.1134 C=CC(C)N1CCCCCC1C(=O)O 269956a_100000758484_100011215867 [0,1,0,1,0,0|1,0,0]=3 6642 B14R1.3302 C=CC(C)N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215867 [0,1,0,1,0,0|1,0,0]=3 6643 B14R1.3302 C=CC(O)CN1CCCCC1C(=O)N 2230a_100000181395_100000730141 [0,1,0,1,0,0|2,0,0]=4 6644 B14R1.3302 C=CC(O)CN1CCCCC1C(=O)N 34a_100000181395_100000730141 [0,1,0,1,0,0|2,0,0]=4 6645 B14R1.3302 C=CC(O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000730141 [0,1,0,1,0,0|1,0,0]=3 6646 B14R1.3302 C=CC(O)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000730141 [0,1,0,1,0,0|2,0,0]=4 6647 B14R1.3302 C=CC(O)CN1CCSCC1C(=O)O 269956a_100011346106_100000730141 [0,1,0,1,0,0|2,0,0]=4 6648 B14R1.3302 C=CC(O)CN1CSCCC1C(=O)O 269956a_100015185162_100000730141 [0,1,0,1,0,0|2,0,0]=4 6649 B14R1.167 O=C(O)CC(O)CNC1CCCC1=O 269956a_100011218706_100000211823 [0,1,0,1,0,0|2,0,0]=4 6650 B14R1.327 CN(CC(=O)O)C1CCCCCC1=O 269956a_100000746989_100000243696 [0,1,0,1,0,0|2,0,0]=4 6651 B14R1.818 O=C(O)CC(O)CNC1C=CCCC1 269956a_100011218706_100000751183 [0,1,0,1,0,0|1,0,0]=3 6652 B14R2.19 O=C1OCC(O1)OC2C=CCCC2 34a_100011215024_100000032252 [0,0,0,2,0,0|2,0,0]=4 6653 B14R2.19 O=C1OCC(O1)SC2C=CCCC2 62a_100000751183_100000032252 [0,0,0,2,0,0|2,0,0]=4 6654 B14R2.450 CN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_200000210301 [0,0,0,2,0,0|1,0,1]=4 6655 B14R2.450 [13CH3]N1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_200025704644 [0,0,0,2,0,0|1,0,1]=4 6656 B14R2.9499 CC(=O)CCCN1CC2C=CC1C2 269982a_100000732668_100011215641 [0,0,0,2,0,0|2,0,0]=4 6657 B14R2.9499 CC(=O)CCCN1CC2C=CC1C2 34a_100000732668_100000685027 [0,0,0,2,0,0|2,0,0]=4 6658 B14R2.9499 CC(=O)COCC1CC2C=CC1C2 34a_100000211253_200009814271 [0,0,0,2,0,0|2,0,0]=4 6659 B14R2.9499 NC(=O)CCCN1CC2C=CC1C2 269982a_100000732668_100102525003 [0,0,0,2,0,0|2,0,0]=4 6660 B14R2.9499 NC(=O)CCCN1CC2C=CC1C2 34a_100000732668_100102525003 [0,0,0,2,0,0|2,0,0]=4 6661 B14R2.9499 NC(=O)CCOC1CC2C=CC1C2 34a_100000043678_100000731001 [0,0,0,2,0,0|2,0,0]=4 6662 B14R2.9499 NC(=O)CNCC1CC2C=CC1C2 2230a_100000189500_100000747473 [0,0,0,2,0,0|2,0,0]=4 6663 B14R2.9499 NC(=O)CNCC1CC2C=CC1C2 2230a_100000711301_200009814271 [0,0,0,2,0,0|2,0,0]=4 6664 B14R2.9499 NC(=O)CNCC1CC2C=CC1C2 34a_100000189500_100000187820 [0,0,0,2,0,0|2,0,0]=4 6665 B14R2.9499 NC(=O)COCC1CC2C=CC1C2 34a_100011215361_100000187820 [0,0,0,2,0,0|2,0,0]=4 6666 B14R2.9499 NC(=O)CSCC1CC2C=CC1C2 62a_100000139495_100000747473 [0,0,0,2,0,0|2,0,0]=4 6667 B14R2.9499 NC(=O)CSCC1CC2C=CC1C2 62a_100000747473_100000139495 [0,0,0,2,0,0|2,0,0]=4 6668 B14R2.9499 O=C(O)CNCC1CC2C=CC1C2 269956a_100016091260_100000139495 [0,0,0,2,0,0|1,0,0]=3 6669 B14R2.9499 O=C([O-])CNCC1CC2C=CC1C2 34a_100000189500_100020667443 [0,0,0,2,0,0|1,0,1]=4 6670 B14R2.9499 O=C([O-])COCC1CC2C=CC1C2 34a_100011215361_100020667443 [0,0,0,2,0,0|1,0,1]=4 6671 B14R2.9499 O=C([O-])CSCC1CC2C=CC1C2 62a_100000139495_100020667443 [0,0,0,2,0,0|1,0,1]=4 6672 B14R2.9499 O=C([O-])CSCC1CC2C=CC1C2 62a_100020667443_100000139495 [0,0,0,2,0,0|1,0,1]=4 6673 B14R2.5205 O=C(O)C1CCN1C2CCCC2=O 269956a_100000021838_100000211823 [0,0,0,2,0,0|2,0,0]=4 6674 B14R2.612 O=C1CCC1N2CCC[C@H]2C(=O)O 269956a_100000743916_100009892977 [0,0,0,2,0,0|2,0,0]=4 6675 B14R2.436 O=C1CC(C1)CSC2C=CCCC2 62a_100000751183_100009874392 [0,0,0,2,0,0|2,0,0]=4 6676 B14R2.436 O=C1CC(C1)CSC2C=CCCC2 62a_100009874392_100000751183 [0,0,0,2,0,0|2,0,0]=4 6677 B14R2.780 O=C(O)C1CCN1C2C=CCCC2 269956a_100000021838_100000751183 [0,0,0,2,0,0|1,0,0]=3