0 B8R0.28 CC(C)CCCC(C)N MC446672 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.28 NC(=O)NCCC(=O)O MC436834 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.28 O=C(O)CCCC(=O)O MC20876 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.28 O=C(O)COCC(O)=S MC445127 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 C#CCCCC(=O)O CS14686 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.4 C=CCNCC(=O)O MC439317 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 CC(=O)CCCCBr CS10627 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.4 CC(O)CCCCO MC112436 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.4 CCCCCB(O)O CS22305 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.4 CCCCCC(C)O CS21570 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.4 CCCOCC(=O)O MC425744 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.4 CCO\C=C\C(=O)O CS22271 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.4 CN(C)CCCCO CS22813 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.4 COCCCC(C)N MC112163 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.4 NCCCCC(=O)O MC428108 [1,0,0,0,0,0|1,0,0]=2 20 B7R0.4 NCCNCC(=O)O MC436179 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.4 O=C(O)CCCCBr MC41866 [1,0,0,0,0,0|1,0,0]=2 22 B9R0.1 COC(=O)\C=C\CN(C)C MC107341 [0,1,0,0,0,0|1,0,2]=4 23 B9R0.1 NCC(=O)NCCC(=O)O MC435044 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.7 C=C(C)CCC(N)C(=O)O MC435324 [0,1,0,0,0,0|0,0,2]=3 25 B9R0.7 C=C(C)CCC(N)C(=O)O MC435325 [0,1,0,0,0,0|0,0,2]=3 26 B9R0.7 CC(=O)OCC(N)C(=O)O MC428251 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.7 CC(=O)OCC(N)C(=O)O MC438163 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.7 CC(C)CCC(N)C(=O)O CS10576 [0,1,0,0,0,0|0,0,0]=1 29 B9R0.7 CS(=O)CCC(N)C(=O)O MC437958 [0,1,0,0,0,0|2,0,0]=3 30 B9R0.7 NC(=O)C(N)CCC(=O)O MC437667 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.7 NC(=O)C(N)CCC(=O)O MC437668 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.7 NC(=O)CCC(N)C(=O)O MC437648 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.7 NC(=O)CCC(N)C(=O)O MC437649 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.7 NC(CCC(=O)O)B(O)O MC442664 [0,1,0,0,0,0|3,0,0]=4 35 B9R0.7 NC(CCC(=O)O)B(O)O MC442665 [0,1,0,0,0,0|3,0,0]=4 36 B9R0.7 NC(CCC(=O)O)C(=O)O CS14946 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.7 NC(CCC(=O)O)C(=O)O CS15295 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.7 NC(CCC(=O)O)C(=O)O MC437662 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.7 NC(CCC(=O)O)C(=O)O MC437663 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.53 CC(C)CC(C)CC(=O)O MC112321 [0,1,0,0,0,0|0,0,0]=1 41 B9R0.53 CC(C)CC(N)CC(=O)O CS19014 [0,1,0,0,0,0|0,0,0]=1 42 B9R0.53 CC(C)CC(N)CC(=O)O MC439109 [0,1,0,0,0,0|0,0,0]=1 43 B9R0.53 NC(CC(=O)O)CC(=O)O MC439301 [0,1,0,0,0,0|2,0,1]=4 44 B9R1.35 CC(C)C1COC(=O)N1 CS22803 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.35 CC(C)C1CSC(=S)N1 CS14634 [0,0,0,1,0,0|2,1,0]=4 46 B9R1.35 CC1CNC(C(=O)O)C1 MC100332 [0,0,0,1,0,0|1,0,0]=2 47 B9R1.35 CN1CCC(C(=O)O)C1 CS18297 [0,0,0,1,0,0|1,0,0]=2 48 B9R1.35 CN1CCC(C(=O)O)C1 MC103798 [0,0,0,1,0,0|1,0,0]=2 49 B9R1.35 CN1CCC(C(=O)O)C1 MC104573 [0,0,0,1,0,0|1,0,0]=2 50 B9R1.35 CN1CCC(C(=O)O)C1 MC444131 [0,0,0,1,0,0|1,0,0]=2 51 B9R1.35 NC(=O)C1CC(F)CN1 MC114665 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.35 NC1CCC(C(=O)O)C1 CS14934 [0,0,0,1,0,0|1,0,0]=2 53 B9R1.35 NC1CCC(C(=O)O)C1 CS16161 [0,0,0,1,0,0|1,0,0]=2 54 B9R1.35 NC1CCC(C(=O)O)C1 CS17903 [0,0,0,1,0,0|1,0,0]=2 55 B9R1.35 NC1CCC(C(=O)O)C1 MC105619 [0,0,0,1,0,0|1,0,0]=2 56 B9R1.35 O=C(O)C1CC(F)CN1 MC104337 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.35 O=C(O)C1CC(F)CN1 MC113882 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.35 O=C(O)C1CC(F)CN1 MC437016 [0,0,0,1,0,0|2,0,0]=3 59 B9R1.35 O=C(O)C1CC(F)CN1 MC437017 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.35 O=C(O)C1CC(F)CN1 MC444013 [0,0,0,1,0,0|2,0,0]=3 61 B9R1.35 O=C(O)C1CC(O)CN1 CS12039 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.35 O=C(O)C1CC(O)CN1 CS18304 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.35 O=C(O)C1CC(O)CN1 CS19994 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.35 O=C(O)C1CC(O)CN1 CS22793 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.35 O=C(O)C1CC(O)CN1 MC31144 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.35 O=C(O)C1CC(O)CN1 MC437781 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.35 O=C(O)C1CC(O)CN1 MC437782 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.35 O=C(O)C1CC(S)CN1 MC112474 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.35 O=C1CCC(C(=O)O)C1 CS19439 [0,0,0,1,0,0|1,0,1]=3 70 B9R1.35 O=C1CCC(C(=O)O)C1 MC105133 [0,0,0,1,0,0|1,0,1]=3 71 B9R1.35 O=C1CCC(C(=O)O)C1 MC105627 [0,0,0,1,0,0|1,0,1]=3 72 B9R1.35 O=C1CCC(C(=O)O)N1 CS22212 [0,0,0,1,0,0|2,0,1]=4 73 B9R1.35 O=C1CCC(C(=O)O)N1 MC438135 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.35 O=C1CCC(C(=O)O)S1 MC103888 [0,0,0,1,0,0|2,0,1]=4 75 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.49 CN1CCCC(O)CC1 CS13879 [0,0,0,1,0,0|2,0,1]=4 77 B9R1.53 CC(=O)NC1CC(N)C1 MC104659 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.53 NC1CC(CC(=O)O)C1 MC103479 [0,0,0,1,0,0|1,0,0]=2 79 B9R1.53 NC1CC(CC(=O)O)C1 MC103480 [0,0,0,1,0,0|1,0,0]=2 80 B9R1.53 NC1CC(CC(=O)O)C1 MC103481 [0,0,0,1,0,0|1,0,0]=2 81 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,0,0,1,0,0|2,0,0]=3 82 B9R1.66 CC1(C)CCCC(=O)C1 MC10482 [0,0,0,1,0,0|1,0,0]=2 83 B9R1.161 O=C(O)C1CC1C(=O)O MC33398 [0,0,0,1,0,0|2,0,1]=4 84 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,0,0,0,1,0|0,0,2]=3 85 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,0,0,0,1,0|1,0,1]=3 86 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,0,0,0,1,0|2,0,1]=4 87 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,0,0,0,1,0|1,0,0]=2 88 B7R0.6 CC(C)CCC(C)N MC446673 [0,0,0,0,1,0|2,0,1]=4 89 B7R0.6 CC(C)CO[N+](=O)[O-] MC434046 [0,0,0,0,1,0|2,0,1]=4 90 B7R0.6 CC(N)CCC(=O)O MC435302 [0,0,0,0,1,0|1,0,0]=2 91 B7R0.6 CN(C)CCC(=O)O CS12169 [0,0,0,0,1,0|1,0,0]=2 92 B7R0.6 O=C(O)CC[N+](=O)[O-] MC442448 [0,0,0,0,1,0|3,0,0]=4 93 B6R0.4 C#CCCC(=O)O MC428029 [2,0,0,0,0,0|0,0,2]=4 94 B6R0.4 C=CCCC(=O)O CS15216 [2,0,0,0,0,0|0,0,2]=4 95 B6R0.4 CC(=O)CCCBr CS10305 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.4 CC(=O)CCCCl CS10334 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.4 CC(C)CCC=O MC428026 [2,0,0,0,0,0|0,0,0]=2 98 B6R0.4 CC(C)CCCO MC428025 [2,0,0,0,0,0|0,0,0]=2 99 B6R0.4 CC(C)NCCN MC20461 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.4 CCCCC(=O)Cl MC40508 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.4 CN(C)CCCBr CS22184 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.4 CN(C)CCCCl CS13505 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.4 CN(C)CCCCl CS14943 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.4 N#CCCC(=O)O CS22262 [2,0,0,0,0,0|1,0,1]=4 105 B6R0.4 NCCCC(=O)O CS14998 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.4 NCCCC(N)=O MC112262 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.4 O=C(Cl)CCCCl MC40450 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.4 O=C(O)CCCBr CS14053 [2,0,0,0,0,0|1,0,0]=3 109 B6R0.6 C=CCCCCCl MC427568 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.6 C=CCCCCN MC111853 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.6 C=CCCCCO CS10397 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.6 COCCCC=O MC111975 [2,0,0,0,0,0|1,0,0]=3 113 B6R0.6 OCCCCCCl CS14778 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.6 OCCCCCO CS20549 [2,0,0,0,0,0|1,0,1]=4 115 B8R0.6 CCCCCC(O)CCl MC114490 [1,1,0,0,0,0|1,0,1]=4 116 B8R0.6 CCCCNC(=O)CCl CS11766 [1,1,0,0,0,0|2,0,0]=4 117 B8R0.6 CCCSCC(=O)OC MC434048 [1,1,0,0,0,0|1,0,0]=3 118 B8R0.6 OCCCCC(O)CO MC41917 [1,1,0,0,0,0|1,0,1]=4 119 B8R0.7 CCCCCCB(O)O MC31067 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.7 COCCOCC(=O)O MC10458 [1,1,0,0,0,0|1,0,0]=3 121 B8R0.7 CSCCCCC(=O)O MC112374 [1,1,0,0,0,0|0,0,0]=2 122 B8R0.7 NCCCCCC(=O)O CS13381 [1,1,0,0,0,0|0,0,0]=2 123 B8R0.7 O=C(O)CCCCCBr CS18405 [1,1,0,0,0,0|0,0,0]=2 124 B8R0.8 CCCCC(N)B(O)O MC442653 [1,1,0,0,0,0|1,0,1]=4 125 B8R0.8 CCCCC(N)C(=O)O MC428079 [1,1,0,0,0,0|0,0,0]=2 126 B8R0.8 CCCCC(N)C(=O)O MC428113 [1,1,0,0,0,0|0,0,0]=2 127 B8R0.8 CCCCC(N)C(=O)O MC428121 [1,1,0,0,0,0|0,0,0]=2 128 B8R0.8 CCCCC(N)C(N)=O MC438017 [1,1,0,0,0,0|1,0,0]=3 129 B8R0.8 CSCCC(N)C(=O)O CS18644 [1,1,0,0,0,0|1,0,0]=3 130 B8R0.8 CSCCC(N)C(=O)O MC428038 [1,1,0,0,0,0|1,0,0]=3 131 B8R0.8 CSCCC(N)C(=O)O MC428332 [1,1,0,0,0,0|1,0,0]=3 132 B8R0.8 CSCCC(N)C(N)=O MC437951 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.8 CSCCC(N)C(N)=O MC439009 [1,1,0,0,0,0|2,0,0]=4 134 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [1,1,0,0,0,0|1,0,0]=3 135 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.8 NCCCC(N)C(=O)O CS22279 [1,1,0,0,0,0|1,0,0]=3 137 B8R0.8 NCCCC(N)C(=O)O MC438045 [1,1,0,0,0,0|1,0,0]=3 138 B8R0.8 NCCCC(N)C(=O)O MC439200 [1,1,0,0,0,0|1,0,0]=3 139 B8R0.8 NOCCC(N)C(=O)O MC100566 [1,1,0,0,0,0|2,0,0]=4 140 B8R0.8 NOCCC(N)C(=O)O MC114097 [1,1,0,0,0,0|2,0,0]=4 141 B8R0.9 CC(C)NCC(O)CO MC437813 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.9 CC(C)NCC(O)CO MC437814 [1,1,0,0,0,0|1,0,1]=4 143 B8R0.9 CC(C)NCC(O)CO MC445487 [1,1,0,0,0,0|1,0,1]=4 144 B8R0.9 COC(=O)CCC(=O)O CS11694 [1,1,0,0,0,0|1,0,1]=4 145 B8R0.9 NCC(=O)CCC(=O)O CS10222 [1,1,0,0,0,0|1,0,1]=4 146 B8R0.9 NCC(=O)CCC(=O)O MC34214 [1,1,0,0,0,0|1,0,1]=4 147 B8R0.21 CCCCCS(=O)(=O)[O-] MC445019 [1,1,0,0,0,0|1,0,1]=4 148 B8R0.21 CCCCCS(=O)(=O)[O-] MC445025 [1,1,0,0,0,0|1,0,1]=4 149 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,1,0,0,1,0|0,0,2]=4 150 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,1,0,0,1,0|1,0,1]=4 151 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,1,0,0,1,0|0,0,0]=2 152 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,1,0,0,1,0|0,0,0]=2 153 B8R0.23 CC(C)CC(N)B(O)O MC442652 [0,1,0,0,1,0|1,0,1]=4 154 B8R0.23 CC(C)CC(N)B(O)O MC442682 [0,1,0,0,1,0|1,0,1]=4 155 B8R0.23 CC(C)CC(N)B(O)O MC442688 [0,1,0,0,1,0|1,0,1]=4 156 B8R0.23 CC(C)CC(N)B(O)O MC442689 [0,1,0,0,1,0|1,0,1]=4 157 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,1,0,0,1,0|0,0,0]=2 158 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,1,0,0,1,0|0,0,0]=2 159 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,1,0,0,1,0|0,0,0]=2 160 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,1,0,0,1,0|1,0,0]=3 161 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,1,0,0,1,0|1,0,0]=3 162 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,1,0,0,1,0|1,0,0]=3 163 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,1,0,0,1,0|1,0,0]=3 164 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,1,0,0,1,0|1,0,0]=3 165 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,1,0,0,1,0|0,0,0]=2 166 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,1,0,0,1,0|0,0,0]=2 167 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,1,0,0,1,0|0,0,0]=2 168 B8R0.29 CC(C)(C)NCC(=O)O MC42032 [0,1,0,0,1,0|1,0,0]=3 169 B8R0.29 O=C(O)CCC(F)(F)F CS22479 [0,1,0,0,1,0|2,0,0]=4 170 B10R0.55 COC(=O)CCCCC(=O)O CS19614 [0,1,0,0,0,1|1,0,1]=4 171 B10R0.44 COC(=O)CC(C)CC(=O)O CS18924 [0,2,0,0,0,0|1,0,1]=4 172 B10R0.57 COC(=O)C(N)CCC(=O)O MC437674 [0,2,0,0,0,0|1,0,1]=4 173 B10R0.57 COC(=O)C(N)CCC(=O)O MC437675 [0,2,0,0,0,0|1,0,1]=4 174 B10R0.82 COC(=O)CCC(N)C(=O)O CS22254 [0,2,0,0,0,0|1,0,1]=4 175 B10R0.82 COC(=O)CCC(N)C(=O)O MC437693 [0,2,0,0,0,0|1,0,1]=4 176 B10R0.82 NCC(O)CCC(N)C(=O)O MC437772 [0,2,0,0,0,0|1,0,0]=3 177 B10R0.92 CC(C)(C)OCC(N)C(=O)O CS11444 [0,2,0,0,0,0|1,0,0]=3 178 B10R0.92 CC(C)(C)OCC(N)C(=O)O MC427224 [0,2,0,0,0,0|1,0,0]=3 179 B10R0.92 CC(C)(C)SCC(N)C(=O)O MC436896 [0,2,0,0,0,0|1,0,0]=3 180 B10R0.92 CC(C)(C)SCC(N)C(=O)O MC436897 [0,2,0,0,0,0|1,0,0]=3 181 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MC437959 [0,2,0,0,0,0|2,0,0]=4 182 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MC437960 [0,2,0,0,0,0|2,0,0]=4 183 B10R0.92 NC(CCC(F)(F)F)C(=O)O MC107722 [0,2,0,0,0,0|2,0,0]=4 184 B10R0.31 CC(C)(C)OC(=O)CC(=O)O MC10151 [0,2,0,0,0,0|1,0,1]=4 185 B10R0.31 C[N+](C)(C)CC(O)CC(=O)[O-] MC20335 [0,2,0,0,0,0|1,0,1]=4 186 B10R0.31 C[N+](C)(C)CC(O)CC(=O)[O-] MC436844 [0,2,0,0,0,0|1,0,1]=4 187 B10R0.70 CC(C)=CC(CN)CC(=O)O MC428275 [0,2,0,0,0,0|0,0,2]=4 188 B10R0.70 CC(C)CC(CN)CC(=O)O MC20754 [0,2,0,0,0,0|0,0,0]=2 189 B8R1.1 CN1CCC(CO)C1 MC102370 [1,0,0,1,0,0|1,0,1]=4 190 B8R1.1 CN1CCC(CO)C1 MC102371 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.1 NCC1CNC(=O)O1 MC103408 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.1 O=C1CCC(CO)N1 CS13834 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.1 O=C1CCC(CO)N1 CS15562 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.4 CC1CC(=O)CCN1 MC101989 [1,0,0,1,0,0|1,0,0]=3 195 B8R1.4 CC1CC(=O)CCN1 MC103769 [1,0,0,1,0,0|1,0,0]=3 196 B8R1.4 CC1CC(=O)CCN1 MC444193 [1,0,0,1,0,0|1,0,0]=3 197 B8R1.4 CC1CC(=O)CCO1 MC103799 [1,0,0,1,0,0|1,0,0]=3 198 B8R1.4 CC1CC(=O)CCO1 MC103800 [1,0,0,1,0,0|1,0,0]=3 199 B8R1.4 CC1CC(=O)CCO1 MC31001 [1,0,0,1,0,0|1,0,0]=3 200 B8R1.4 CC1CC(O)CCN1 MC102122 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.4 CC1CC(O)CCN1 MC102123 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.4 CC1CC(O)CCN1 MC102289 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.4 CC1CC(O)CCO1 MC31218 [1,0,0,1,0,0|1,0,1]=4 204 B8R1.4 CC1CNCC(=O)N1 MC103795 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.4 CC1CNCC(=O)N1 MC104244 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.4 CC1CNCC(=O)N1 MC444027 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.4 CN1CCCC(O)C1 MC445500 [1,0,0,1,0,0|1,0,1]=4 208 B8R1.4 CN1CCNC(=O)C1 CS13438 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.4 CN1CCOC(=O)C1 CS17566 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.4 NC1CCCC(O)C1 CS17342 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.4 NC1CCCC(O)C1 CS18558 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.4 NC1CCCC(O)C1 MC116000 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.4 NC1CCCC(O)C1 MC116001 [1,0,0,1,0,0|1,0,1]=4 214 B8R1.4 NC1CCNC(=O)C1 CS15459 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.4 NC1CCNC(=O)C1 MC444313 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.4 O=C1CCCC(=O)C1 CS19094 [1,0,0,1,0,0|1,0,1]=4 217 B8R1.4 O=C1CCCC(=O)O1 CS11243 [1,0,0,1,0,0|1,0,1]=4 218 B8R1.7 CC(=O)C1CCCC1 CS20673 [1,0,0,1,0,0|1,0,0]=3 219 B8R1.7 CC(=O)C1CCCC1 MC445790 [1,0,0,1,0,0|1,0,0]=3 220 B8R1.7 NC(=O)C1CCCN1 CS22629 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.7 NC(=O)C1CCCN1 MC438122 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.7 NC(=O)C1CCCN1 MC438123 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.7 NC(=O)C1CCCN1 MC438124 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.7 NC(=O)C1CCCN1 MC438125 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.7 O=C(O)C1CCCN1 CS18287 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.7 O=C(O)C1CCCN1 CS18742 [1,0,0,1,0,0|1,0,0]=3 227 B8R1.7 O=C(O)C1CCCN1 CS22249 [1,0,0,1,0,0|1,0,0]=3 228 B8R1.7 O=C(O)C1CCCO1 CS16192 [1,0,0,1,0,0|1,0,0]=3 229 B8R1.7 O=C(O)C1CCCO1 CS18232 [1,0,0,1,0,0|1,0,0]=3 230 B8R1.7 O=C(O)C1CCCO1 MC20393 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.7 O=C(O)C1CCNC1 CS18444 [1,0,0,1,0,0|1,0,0]=3 232 B8R1.7 O=C(O)C1CCNC1 CS19637 [1,0,0,1,0,0|1,0,0]=3 233 B8R1.7 O=C(O)C1CCOC1 CS19475 [1,0,0,1,0,0|1,0,0]=3 234 B8R1.7 O=C(O)C1CCOC1 MC444586 [1,0,0,1,0,0|1,0,0]=3 235 B8R1.7 O=C(O)C1CSCN1 CS15627 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.7 O=C(O)C1CSCN1 MC20446 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.7 O=C(O)C1NCCS1 CS16514 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.22 O=C1CCCNCC1 CS19096 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.22 O=C1CCNCCN1 CS18857 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.22 O=C1CCSCCN1 MC121122 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.31 NC1CCC1C(=O)O MC104253 [1,0,0,1,0,0|1,0,0]=3 242 B8R1.31 NC1CCC1C(=O)O MC104335 [1,0,0,1,0,0|1,0,0]=3 243 B8R1.31 NC1CCC1C(=O)O MC104421 [1,0,0,1,0,0|1,0,0]=3 244 B8R1.31 NC1CCC1C(=O)O MC105420 [1,0,0,1,0,0|1,0,0]=3 245 B8R1.34 O=C(O)CC1CCC1 CS11177 [1,0,0,1,0,0|0,0,0]=2 246 B8R1.34 O=C(O)CC1CNC1 MC103917 [1,0,0,1,0,0|1,0,0]=3 247 B8R1.34 O=C(O)CC1CNC1 MC444240 [1,0,0,1,0,0|1,0,0]=3 248 B8R1.34 O=C(O)CC1COC1 MC444158 [1,0,0,1,0,0|1,0,0]=3 249 B8R1.35 O=C(O)CCC1CC1 CS19562 [1,0,0,1,0,0|0,0,0]=2 250 B8R1.72 CC1(C)CNCCO1 MC100077 [1,0,0,1,0,0|1,0,1]=4 251 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,0,0,1,1,0|2,0,0]=4 252 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,0,0,1,1,0|2,0,0]=4 253 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,0,0,1,1,0|2,0,0]=4 254 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,0,0,1,1,0|2,0,0]=4 255 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,0,0,1,1,0|2,0,0]=4 256 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,0,0,1,1,0|2,0,0]=4 257 B8R1.23 C=C1CC(C(=O)O)C1 MC444295 [0,0,0,1,1,0|0,0,2]=4 258 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,0,0,1,1,0|0,0,0]=2 259 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,0,0,1,1,0|0,0,0]=2 260 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,0,0,1,1,0|0,0,0]=2 261 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,0,0,1,1,0|1,0,0]=3 262 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,0,0,1,1,0|1,0,0]=3 263 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,0,0,1,1,0|1,0,0]=3 264 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,0,0,1,1,0|1,0,0]=3 265 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,0,0,1,1,0|1,0,0]=3 266 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,0,0,1,1,0|1,0,0]=3 267 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,0,0,1,1,0|1,0,0]=3 268 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,0,0,1,1,0|1,0,0]=3 269 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,0,0,1,1,0|1,0,0]=3 270 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,0,0,1,1,0|1,0,0]=3 271 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,0,0,1,1,0|1,0,0]=3 272 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [0,0,0,1,1,0|1,0,1]=4 273 B8R1.51 CC1(C)CNC(=O)C1 CS22480 [0,0,0,1,1,0|2,0,0]=4 274 B8R1.51 CC1(C)CNC(=O)N1 MC443125 [0,0,0,1,1,0|2,0,0]=4 275 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,0,0,1,1,0|0,0,0]=2 276 B8R1.77 CC1(C)CC1C(N)=O MC427500 [0,0,0,1,1,0|1,0,0]=3 277 B8R1.77 O=C(O)C1CC1(F)Cl MC425307 [0,0,0,1,1,0|2,0,0]=4 278 B8R1.77 O=C(O)C1CC1(F)F MC429774 [0,0,0,1,1,0|2,0,0]=4 279 B10R1.113 CC1CCNC(C(=O)O)C1 CS13084 [0,0,0,1,0,1|0,0,0]=2 280 B10R1.113 NC1CCCC(C(=O)O)C1 CS14264 [0,0,0,1,0,1|1,0,0]=3 281 B10R1.113 NC1CCCC(C(=O)O)C1 CS17221 [0,0,0,1,0,1|1,0,0]=3 282 B10R1.113 NC1CCCC(C(=O)O)C1 CS17237 [0,0,0,1,0,1|1,0,0]=3 283 B10R1.113 NC1CCCC(C(=O)O)C1 CS19619 [0,0,0,1,0,1|1,0,0]=3 284 B10R1.113 NC1CCCC(C(=O)O)C1 MC105219 [0,0,0,1,0,1|1,0,0]=3 285 B10R1.113 O=C(O)C1CC(O)CCN1 MC445804 [0,0,0,1,0,1|1,0,0]=3 286 B10R1.113 O=C1CCNC(C(=O)O)C1 MC113049 [0,0,0,1,0,1|1,0,1]=4 287 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445805 [0,0,0,1,0,1|1,0,1]=4 288 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445809 [0,0,0,1,0,1|1,0,1]=4 289 B10R1.128 CC1(C)CNCC1C(=O)O CS14764 [0,0,0,1,0,1|0,0,0]=2 290 B10R1.128 CC1(C)SCNC1C(=O)O MC438068 [0,0,0,1,0,1|1,0,0]=3 291 B10R1.13 CC(=O)C1CC=C(C)CC1 CS14813 [0,1,0,1,0,0|1,0,1]=4 292 B10R1.13 CC1CCC(C(N)=O)CN1 MC425228 [0,1,0,1,0,0|1,0,0]=3 293 B10R1.13 CN(C)C1CCC(=O)CC1 MC429047 [0,1,0,1,0,0|2,0,0]=4 294 B10R1.13 NC1CCC(C(=O)O)CC1 CS12037 [0,1,0,1,0,0|1,0,0]=3 295 B10R1.13 NC1CCC(C(=O)O)CC1 CS14216 [0,1,0,1,0,0|1,0,0]=3 296 B10R1.13 NC1CCC(C(=O)O)CC1 CS14217 [0,1,0,1,0,0|1,0,0]=3 297 B10R1.13 O=C(O)C1CCC(O)CC1 MC428316 [0,1,0,1,0,0|1,0,0]=3 298 B10R1.13 O=C(O)C1CCC(O)CN1 MC102531 [0,1,0,1,0,0|1,0,0]=3 299 B10R1.13 O=C(O)C1CCC(O)CN1 MC103741 [0,1,0,1,0,0|1,0,0]=3 300 B10R1.13 O=C(O)C1CCC(O)CN1 MC105262 [0,1,0,1,0,0|1,0,0]=3 301 B10R1.13 O=C1CCC(C(=O)O)CC1 MC425116 [0,1,0,1,0,0|1,0,1]=4 302 B10R1.13 O=C1CCC(C(=O)O)CN1 MC444434 [0,1,0,1,0,0|1,0,1]=4 303 B10R1.14 COC(=O)C1CC(F)CN1 MC100237 [0,1,0,1,0,0|2,0,0]=4 304 B10R1.14 COC(=O)C1CC(O)CN1 CS11437 [0,1,0,1,0,0|2,0,0]=4 305 B10R1.14 COC(=O)C1CC(O)CN1 CS13094 [0,1,0,1,0,0|2,0,0]=4 306 B10R1.14 COC(=O)C1CC(O)CN1 CS18459 [0,1,0,1,0,0|2,0,0]=4 307 B10R1.14 COC(=O)C1CCC(=O)C1 MC104918 [0,1,0,1,0,0|1,0,1]=4 308 B10R1.14 COC(=O)C1CCC(=O)C1 MC105581 [0,1,0,1,0,0|1,0,1]=4 309 B10R1.14 COC(=O)C1CCC(N)C1 CS17586 [0,1,0,1,0,0|1,0,0]=3 310 B10R1.14 COC(=O)C1CCC(N)C1 MC105577 [0,1,0,1,0,0|1,0,0]=3 311 B10R1.14 COC(=O)C1CCC(N)C1 MC105578 [0,1,0,1,0,0|1,0,0]=3 312 B10R1.14 COC(=O)C1CCC(N)C1 MC105579 [0,1,0,1,0,0|1,0,0]=3 313 B10R1.14 COC(=O)C1CCC(N)C1 MC105580 [0,1,0,1,0,0|1,0,0]=3 314 B10R1.150 COC(=O)CC1CC(=O)C1 CS15796 [0,1,0,1,0,0|1,0,1]=4 315 B10R1.194 CN1C(=O)CCC1C(=O)O MC443546 [0,1,0,1,0,0|1,0,1]=4 316 B10R1.83 CC1(C)C(=O)CC1C(=O)O MC103663 [0,1,0,1,0,0|0,0,1]=3 317 B10R1.83 CC1(C)C(N)CC1C(=O)O MC105078 [0,1,0,1,0,0|0,0,0]=2 318 B10R1.83 CC1(C)C(N)CC1C(=O)O MC105079 [0,1,0,1,0,0|0,0,0]=2 319 B10R1.83 CC1(C)C(N)CC1C(=O)O MC113164 [0,1,0,1,0,0|0,0,0]=2 320 B10R1.120 CC1(C)CC(=O)CCC1O MC110760 [0,1,0,1,0,0|1,0,0]=3 321 B10R1.359 CC1(C)CNC(C(=O)O)C1 MC110824 [0,1,0,1,0,0|1,0,0]=3 322 B10R1.359 O=C(O)C1CC(F)(F)CN1 CS15698 [0,1,0,1,0,0|2,0,0]=4 323 B10R1.359 O=C(O)C1CCC(F)(F)C1 MC104920 [0,1,0,1,0,0|1,0,0]=3 324 B10R1.359 O=C(O)C1CCC(F)(F)C1 MC105583 [0,1,0,1,0,0|1,0,0]=3 325 B10R1.59 CN1CC(O)CC1C(=O)O MC107204 [0,1,0,1,0,0|2,0,0]=4 326 B10R1.59 CN1CC(O)CC1C(=O)O MC437912 [0,1,0,1,0,0|2,0,0]=4 327 B10R1.329 CC1(C)OC(=O)CC(=O)O1 MC20692 [0,1,0,1,0,0|1,0,1]=4 328 B10R1.371 O=C(O)CC1CC(F)(F)C1 MC103614 [0,1,0,1,0,0|1,0,0]=3 329 B10R1.347 O=C(O)C1CC1C(F)(F)F MC431913 [0,1,0,1,0,0|2,0,0]=4 330 B10R2.178 O=C1CCC2CCC1N2 MC105539 [0,0,0,2,0,0|2,0,0]=4 331 B10R2.178 O=C1NCC2CCC1N2 MC105362 [0,0,0,2,0,0|2,0,0]=4 332 B10R2.348 O=C(O)C12CC(CN1)C2 MC105067 [0,0,0,2,0,0|1,0,0]=3 333 B10R2.355 O=C(O)C1NCC2CC21 MC100068 [0,0,0,2,0,0|1,0,0]=3 334 B10R2.355 O=C(O)C1NCC2CC21 MC100069 [0,0,0,2,0,0|1,0,0]=3 335 B10R2.355 O=C(O)C1NCC2CC21 MC103380 [0,0,0,2,0,0|1,0,0]=3 336 B10R2.355 O=C(O)C1NCC2CC21 MC103381 [0,0,0,2,0,0|1,0,0]=3 337 B10R2.355 O=C(O)C1NCC2CC21 MC105643 [0,0,0,2,0,0|1,0,0]=3 338 B10R2.355 O=C(O)C1NCC2CC21 MC105644 [0,0,0,2,0,0|1,0,0]=3 339 B10R2.357 NC(=O)C1CC2CC2N1 CS17814 [0,0,0,2,0,0|2,0,0]=4 340 B10R2.357 NC(=O)C1CC2CC2N1 MC107659 [0,0,0,2,0,0|2,0,0]=4 341 B10R2.357 O=C(O)C1CC2CC2C1 MC103539 [0,0,0,2,0,0|0,0,0]=2 342 B10R2.357 O=C(O)C1CC2CC2N1 MC103441 [0,0,0,2,0,0|1,0,0]=3 343 B10R2.357 O=C(O)C1CC2CC2N1 MC105463 [0,0,0,2,0,0|1,0,0]=3 344 B10R2.534 O=C1CCCC2(CC2)N1 CS17693 [0,0,0,2,0,0|1,0,0]=3 345 B6R0.2 CC(Br)CC(=O)O MC106689 [0,0,0,0,2,0|1,0,0]=3 346 B6R0.2 CC(C)=CC(=O)O CS14947 [0,0,0,0,2,0|0,0,2]=4 347 B6R0.2 CC(C)CB(O)O CS22276 [0,0,0,0,2,0|1,0,1]=4 348 B6R0.2 CC(N)CC(=O)O CS19028 [0,0,0,0,2,0|1,0,0]=3 349 B6R0.2 CC(N)CC(=O)O CS20346 [0,0,0,0,2,0|1,0,0]=3 350 B6R0.2 CC(N)CC(=O)O MC439098 [0,0,0,0,2,0|1,0,0]=3 351 B6R0.2 CC(O)CC(=O)O MC426020 [0,0,0,0,2,0|1,0,0]=3 352 B6R0.2 CC(O)CC(=O)O MC426021 [0,0,0,0,2,0|1,0,0]=3 353 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,0,0,0,2,0|1,0,1]=4 354 B6R0.2 CN(C)CC(=O)O CS13413 [0,0,0,0,2,0|1,0,0]=3 355 B6R0.2 NC([SeH])CC(=O)O MC435590 [0,0,0,0,2,0|2,0,0]=4 356 B6R0.2 NC([SeH])CC(=O)O MC435591 [0,0,0,0,2,0|2,0,0]=4 357 B10R0.97 CC(=O)NCSCCC(=O)O MC436047 [0,0,0,0,0,2|1,0,1]=4