0 B8R0.8 C(CC(C(=O)O)N)CN A18173 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.8 C(C[C@@H](C(=O)O)N)CN A12111 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.8 C(C[C@H](C(=O)O)N)CN L00793 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.8 CC(=C)C(=O)OCC#C L11556 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.8 CC(=C)C(=O)OCC=C L12993 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.8 CC(=C)C(=O)OCCCl L09783 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.8 CC(=C)C(=O)OCCO B24260 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.8 CCCCC(=O)C(=O)C A19136 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.8 CCCCC(C(=O)O)Br B24228 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.8 CCCCC(C(=O)O)N A10791 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.8 CCCCC(C(C)C)O L03492 [0,0,0,0,0,0|1,0,3]=4 11 B8R0.8 CCCCC(C)C(=O)Cl H32829 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.8 CCCCC(C)C(=O)O A11290 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.8 CCCC[C@@H](C(=O)O)N L03913 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.8 CCCC[C@H](C(=O)O)N L08257 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.8 CCCOC(=O)C(=C)C L09493 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.8 CSCCC(C(=O)O)N A11457 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.8 CSCC[C@@H](C(=O)O)N A10318 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.8 CSCC[C@@H](C(=O)O)N B21342 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.8 CSCC[C@H](C(=O)O)N B21213 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.3 C(CC(=O)NN)CO A12351 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.3 C=CC(=O)OCCBr L12502 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.3 C=CC(=O)OCCO B24815 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.3 CCCCC(=O)CC A16977 [1,0,0,0,0,0|0,0,1]=2 24 B7R0.3 CCCCC(=O)NN L01555 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.3 CCCCC(=O)OC B24828 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.3 CCCCC(C)CC L12006 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.3 CCCCC(C=C)O A14651 [1,0,0,0,0,0|0,0,3]=4 28 B7R0.3 CCCCC(CC)Br L04427 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.3 CCCCC(CC)[Zn+] H58866 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.3 CCCOC(=O)C=C L09714 [1,0,0,0,0,0|1,0,1]=3 31 B7R0.3 CCCOC(=O)CBr L11951 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.3 CCCOC(=O)CC B20680 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.3 CCCOC(=O)CN H50250 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.3 COC(=O)CCCBr L12636 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.3 COC(=O)CCCCl L03734 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.3 COC(=O)CCSC A10649 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.4 C(CCBr)CC(=O)Cl A18046 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.4 C(CCBr)CC(=O)O A11765 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.4 C(CCCl)CC(=O)Cl H56237 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.4 C(CCN)CC(=O)O A15043 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.4 C(CCN)CC(=O)O B24788 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.4 CC#CCOC(=O)C B24584 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.4 CC(=O)CCCCCl H53462 [1,0,0,0,0,0|1,0,1]=3 44 B7R0.4 CC(=O)OCCCCl B25013 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.4 CCCC#CC(=O)O L02526 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.4 CCCCCC(=O)C A10200 [1,0,0,0,0,0|0,0,1]=2 47 B7R0.4 CCCCCC(=O)Cl B23027 [1,0,0,0,0,0|1,0,1]=3 48 B7R0.4 CCCCCC(=O)N H25929 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.4 CCCCCC(=O)O A13789 [1,0,0,0,0,0|1,0,1]=3 50 B7R0.4 CCCCCC(C)C H26220 [1,0,0,0,0,0|1,0,2]=4 51 B7R0.4 CCCCCC(C)N B22863 [1,0,0,0,0,0|1,0,2]=4 52 B7R0.4 CCCCCC(C)N L08596 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.4 CCCCCC(C)O A18391 [1,0,0,0,0,0|0,0,3]=4 54 B7R0.4 CCCCCC(C)[Zn+] H58890 [1,0,0,0,0,0|1,0,2]=4 55 B7R0.4 CCCCC[C@@H](C)N L19306 [1,0,0,0,0,0|1,0,2]=4 56 B7R0.4 CCCCC[C@H](C)N L19307 [1,0,0,0,0,0|1,0,2]=4 57 B7R0.4 CCCCC[C@H](C)O 33795 [1,0,0,0,0,0|0,0,3]=4 58 B7R0.4 CCCCNC(=O)N L02854 [1,0,0,0,0,0|2,0,0]=3 59 B7R0.4 CCCCNC(=S)N L09654 [1,0,0,0,0,0|2,1,0]=4 60 B7R0.4 CCCCOC(=O)C 19395 [1,0,0,0,0,0|1,0,0]=2 61 B7R0.4 CCCCOC(=O)C 39197 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.4 CCCCOC(=O)C A19412 [1,0,0,0,0,0|1,0,0]=2 63 B7R0.4 CCCCOC(=O)Cl B22215 [1,0,0,0,0,0|2,0,0]=3 64 B7R0.4 CCC\C=C\C(=O)C A19086 [1,0,0,0,0,0|0,0,1]=2 65 B7R0.4 CCC\C=C\C(=O)O A13571 [1,0,0,0,0,0|1,0,1]=3 66 B7R0.4 COCCOC(=O)Cl H25937 [1,0,0,0,0,0|3,0,0]=4 67 B7R0.4 C\C=C\COC(=O)C L09734 [1,0,0,0,0,0|1,0,2]=4 68 B7R0.5 CCCC(=O)C(=O)C L04669 [1,0,0,0,0,0|0,0,0]=1 69 B7R0.5 CCCC(=O)N(C)C L05556 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.5 CCCC(C(=O)O)Br L07047 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.5 CCCC(C(=O)O)N A15900 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.5 CCCC(C)C(=O)Cl L02725 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.5 CCCC(C)C(=O)O A13873 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.5 CCC[C@@H](C(=O)O)N L08658 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.5 CCC[C@H](C(=O)O)N B23444 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.5 CCOC(=O)C(=C)C A17518 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.5 CCOC(=O)C(=O)C A15045 [1,0,0,0,0,0|1,0,0]=2 78 B7R0.5 CCOC(=O)C(=O)Cl A14653 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.5 CCOC(=O)C(=O)[O-] H35403 [1,0,0,0,0,0|2,0,0]=3 80 B7R0.5 CCOC(=O)C(C)Br A10820 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.5 CCOC(=O)C(C)C A12966 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.5 CCOC(=O)C(C)Cl L13410 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.5 CCOC(=O)C(C)N L11020 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.5 CCOC(=O)C(C)O A10900 [1,0,0,0,0,0|1,0,2]=4 85 B7R0.5 CCOC(=O)C(C)S L11520 [1,0,0,0,0,0|1,1,1]=4 86 B7R0.5 CCOC(=O)[C@@H](C)N H62791 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.5 CCOC(=O)[C@H](C)N A11271 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.5 CCOC(=S)C(=O)N H31447 [1,0,0,0,0,0|2,1,0]=4 89 B7R0.5 CC\C=C(/C)\C(=O)O A16587 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.5 CC\C=C(/C)\C(=O)O H60391 [1,0,0,0,0,0|2,0,1]=4 91 B9R0.6 CCCC(C)C(=O)C(C)C B20384 [0,1,0,0,0,0|1,0,1]=3 92 B9R0.7 C(CC(=O)O)C(=O)C(=O)O A10256 [0,1,0,0,0,0|2,0,1]=4 93 B9R0.7 CC(C)COC(=O)C(=C)C 41948 [0,1,0,0,0,0|2,0,0]=3 94 B9R0.7 CC(C)COC(=O)C(C)C L04655 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.8 CCCCC(C(=O)OC)Br H60165 [0,1,0,0,0,0|1,0,1]=3 96 B9R0.8 CCCC[C@@H](C(=O)OC)N H65873 [0,1,0,0,0,0|1,0,1]=3 97 B9R0.8 COC(=O)[C@@H](CCSC)N H63422 [0,1,0,0,0,0|2,0,1]=4 98 B9R0.8 COC(=O)[C@H](CCCN)N H63225 [0,1,0,0,0,0|2,0,1]=4 99 B9R0.8 COC(=O)[C@H](CCSC)N A15952 [0,1,0,0,0,0|2,0,1]=4 100 B9R0.13 CCCCC(CC)C(=O)Cl L03181 [0,1,0,0,0,0|2,0,1]=4 101 B9R0.13 CCCCC(CC)C(=O)O A12644 [0,1,0,0,0,0|2,0,1]=4 102 B9R0.13 CCCCC(CC)C(=O)O H54406 [0,1,0,0,0,0|2,0,1]=4 103 B9R0.13 CCCCC(CC)C(=O)[O-] 18590 [0,1,0,0,0,0|2,0,1]=4 104 B9R0.13 CCCCC(CC)C(=O)[O-] 20539 [0,1,0,0,0,0|2,0,1]=4 105 B9R0.13 CCCCC(CC)C(=O)[O-] 36575 [0,1,0,0,0,0|2,0,1]=4 106 B9R0.13 CCCCC(CC)C(=O)[O-] 36657 [0,1,0,0,0,0|2,0,1]=4 107 B9R0.13 CCCCC(CC)C(=O)[O-] 36659 [0,1,0,0,0,0|2,0,1]=4 108 B9R0.13 CCCCC(CC)C(=O)[O-] 36661 [0,1,0,0,0,0|2,0,1]=4 109 B9R0.13 CCCCC(CC)C(=O)[O-] 36710 [0,1,0,0,0,0|2,0,1]=4 110 B9R0.13 CCCCC(CC)C(=O)[O-] 36711 [0,1,0,0,0,0|2,0,1]=4 111 B9R0.13 CCCCC(CC)C(=O)[O-] 38607 [0,1,0,0,0,0|2,0,1]=4 112 B9R0.13 CCCCC(CC)C(=O)[O-] 39148 [0,1,0,0,0,0|2,0,1]=4 113 B9R0.13 CCCCC(CC)C(=O)[O-] 39163 [0,1,0,0,0,0|2,0,1]=4 114 B9R0.13 CCCCC(CC)C(=O)[O-] 39169 [0,1,0,0,0,0|2,0,1]=4 115 B9R0.13 CCCCC(CC)C(=O)[O-] 39174 [0,1,0,0,0,0|2,0,1]=4 116 B9R0.13 CCCCC(CC)C(=O)[O-] 39330 [0,1,0,0,0,0|2,0,1]=4 117 B9R0.13 CCCCC(CC)C(=O)[O-] 39440 [0,1,0,0,0,0|2,0,1]=4 118 B9R0.13 CCCCC(CC)C(=O)[O-] 39543 [0,1,0,0,0,0|2,0,1]=4 119 B9R0.13 CCCCC(CC)C(=O)[O-] 39560 [0,1,0,0,0,0|2,0,1]=4 120 B9R0.13 CCCCC(CC)C(=O)[O-] 39561 [0,1,0,0,0,0|2,0,1]=4 121 B9R0.13 CCCCC(CC)C(=O)[O-] 40451 [0,1,0,0,0,0|2,0,1]=4 122 B9R0.13 CCCCC(CC)C(=O)[O-] 40583 [0,1,0,0,0,0|2,0,1]=4 123 B9R0.13 CCCCC(CC)C(=O)[O-] 40584 [0,1,0,0,0,0|2,0,1]=4 124 B9R0.13 CCCCC(CC)C(=O)[O-] 40719 [0,1,0,0,0,0|2,0,1]=4 125 B9R0.13 CCCCC(CC)C(=O)[O-] 41268 [0,1,0,0,0,0|2,0,1]=4 126 B9R0.13 CCCCC(CC)C(=O)[O-] 41521 [0,1,0,0,0,0|2,0,1]=4 127 B9R0.13 CCCCC(CC)C(=O)[O-] 42380 [0,1,0,0,0,0|2,0,1]=4 128 B9R0.13 CCCCC(CC)C(=O)[O-] 42381 [0,1,0,0,0,0|2,0,1]=4 129 B9R0.13 CCCCC(CC)C(=O)[O-] 43356 [0,1,0,0,0,0|2,0,1]=4 130 B9R0.13 CCCCC(CC)C(=O)[O-] 43893 [0,1,0,0,0,0|2,0,1]=4 131 B9R0.13 CCCCC(CC)C(=O)[O-] 44021 [0,1,0,0,0,0|2,0,1]=4 132 B9R0.13 CCCCC(CC)C(=O)[O-] 44602 [0,1,0,0,0,0|2,0,1]=4 133 B9R0.13 CCCCC(CC)C(=O)[O-] 44635 [0,1,0,0,0,0|2,0,1]=4 134 B9R0.13 CCCCC(CC)C(=O)[O-] 44847 [0,1,0,0,0,0|2,0,1]=4 135 B9R0.13 CCCCC(CC)C(=O)[O-] 45500 [0,1,0,0,0,0|2,0,1]=4 136 B9R0.13 CCCCC(CC)C(=O)[O-] 71126 [0,1,0,0,0,0|2,0,1]=4 137 B9R0.13 CCCCC(CC)C(=O)[O-] 89307 [0,1,0,0,0,0|2,0,1]=4 138 B9R0.13 CCCCC(CC)C(=O)[O-] A16560 [0,1,0,0,0,0|2,0,1]=4 139 B9R0.13 CCCCC(CC)C(=O)[O-] A18266 [0,1,0,0,0,0|2,0,1]=4 140 B9R0.13 CCCCC(CC)C(=O)[O-] B23612 [0,1,0,0,0,0|2,0,1]=4 141 B9R0.13 CCCCC(CC)C(=O)[O-] B24960 [0,1,0,0,0,0|2,0,1]=4 142 B9R0.47 C(CCN)CC(C(=O)O)N A11066 [0,1,0,0,0,0|2,0,1]=4 143 B9R0.47 C(CCN)CC(C(=O)O)N L07576 [0,1,0,0,0,0|2,0,1]=4 144 B9R0.47 C(CCN)C[C@@H](C(=O)N)N H65741 [0,1,0,0,0,0|2,0,1]=4 145 B9R0.47 C(CCN)C[C@@H](C(=O)O)N A13040 [0,1,0,0,0,0|2,0,1]=4 146 B9R0.47 C(CCN)C[C@@H](C(=O)O)N A16127 [0,1,0,0,0,0|2,0,1]=4 147 B9R0.47 C(CCN)C[C@@H](C(=O)O)N A16249 [0,1,0,0,0,0|2,0,1]=4 148 B9R0.47 C(CCN)C[C@H](C(=O)O)N L07710 [0,1,0,0,0,0|2,0,1]=4 149 B9R0.47 CC(=C)C(=O)OCCCO A17951 [0,1,0,0,0,0|2,0,0]=3 150 B9R0.47 CCCCCC(=O)N(C)C B24562 [0,1,0,0,0,0|2,0,0]=3 151 B9R0.47 CCCCCC(C)C(=O)O B22050 [0,1,0,0,0,0|2,0,1]=4 152 B9R0.47 CCCCOC(=O)C(=C)C A19068 [0,1,0,0,0,0|1,0,0]=2 153 B9R0.47 CCCCOC(=O)[C@H](C)O A13821 [0,1,0,0,0,0|0,0,2]=3 154 B9R0.47 CCSCCC(C(=O)O)N A13154 [0,1,0,0,0,0|2,0,1]=4 155 B9R0.51 CCCCC(C)(C)C(=O)O L14664 [0,1,0,0,0,0|2,0,1]=4 156 B9R1.5 CN1CCCCCC1=O A17776 [0,0,0,1,0,0|2,0,0]=3 157 B9R1.6 C1CCC(=CC1)C(=O)O A10741 [0,0,0,1,0,0|2,0,0]=3 158 B9R1.6 C1CCC(CC1)C(=O)Cl A19824 [0,0,0,1,0,0|2,0,1]=4 159 B9R1.6 C1CCC(CC1)C(=O)O A14693 [0,0,0,1,0,0|2,0,1]=4 160 B9R1.6 C1CCNC(C1)C(=O)O B23541 [0,0,0,1,0,0|2,0,1]=4 161 B9R1.6 C1CCN[C@@H](C1)C(=O)O L15373 [0,0,0,1,0,0|2,0,1]=4 162 B9R1.6 C1CCN[C@H](C1)C(=O)O H63255 [0,0,0,1,0,0|2,0,1]=4 163 B9R1.6 CC(=O)C1CCCCC1 B21000 [0,0,0,1,0,0|1,0,1]=3 164 B9R1.6 CC(=O)C1CCOCC1 H64522 [0,0,0,1,0,0|2,0,1]=4 165 B9R1.6 CC(=O)N1CCNCC1 B20200 [0,0,0,1,0,0|3,0,0]=4 166 B9R1.6 CC(=O)N1CCOCC1 B24120 [0,0,0,1,0,0|3,0,0]=4 167 B9R1.69 CC1CN(CCC1=O)C H61425 [0,0,0,1,0,0|2,0,1]=4 168 B9R1.163 C1CCC(C1)(C(=O)O)N B22179 [0,0,0,1,0,0|2,0,1]=4 169 B9R0.4 CC(=O)CC(=O)OCC=C B22555 [0,0,0,0,0,1|1,0,2]=4 170 B9R0.4 CCCCC(=O)CC(=O)C A10161 [0,0,0,0,0,1|0,0,0]=1 171 B9R0.4 CCCCC(=O)CC(C)C A19952 [0,0,0,0,0,1|1,0,1]=3 172 B6R0.1 CCC(=O)OCC 15498 [2,0,0,0,0,0|1,0,1]=4 173 B6R0.1 CCC(=O)OCC A16650 [2,0,0,0,0,0|1,0,1]=4 174 B6R0.1 CCC(=O)SCC B24918 [2,0,0,0,0,0|1,0,1]=4 175 B6R0.1 CCCC(=O)C=C L07660 [2,0,0,0,0,0|0,0,1]=3 176 B6R0.1 CCCC(=O)CC B20791 [2,0,0,0,0,0|0,0,1]=3 177 B6R0.1 CCCC(=O)NN L01971 [2,0,0,0,0,0|2,0,0]=4 178 B6R0.1 CCCC(=O)OC L04250 [2,0,0,0,0,0|1,0,0]=3 179 B6R0.1 CCCC(=O)SC B22144 [2,0,0,0,0,0|1,0,0]=3 180 B6R0.1 CCCC(C)C=O B24199 [2,0,0,0,0,0|1,0,1]=4 181 B6R0.1 CCOC(=O)C=C A15493 [2,0,0,0,0,0|1,0,1]=4 182 B6R0.1 CCOC(=O)C=O L19207 [2,0,0,0,0,0|1,0,0]=3 183 B6R0.1 CC\C=C(/C)\C=O A15729 [2,0,0,0,0,0|1,0,1]=4 184 B6R0.1 CNCC(=O)OC L08572 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.1 COC(=O)CCBr L14127 [2,0,0,0,0,0|2,0,0]=4 186 B6R0.1 COC(=O)CCN H27483 [2,0,0,0,0,0|2,0,0]=4 187 B6R0.1 COC(=O)CCS B20718 [2,0,0,0,0,0|2,0,0]=4 188 B6R0.1 COCC(=O)OC B22528 [2,0,0,0,0,0|2,0,0]=4 189 B6R0.4 C(CC(=O)Cl)CBr A12094 [2,0,0,0,0,0|2,0,0]=4 190 B6R0.4 C(CC(=O)Cl)CCl A12249 [2,0,0,0,0,0|2,0,0]=4 191 B6R0.4 C(CC(=O)O)CBr A12870 [2,0,0,0,0,0|1,0,1]=4 192 B6R0.4 C(CC(=O)O)CN A11016 [2,0,0,0,0,0|1,0,1]=4 193 B6R0.4 CC(=CCCBr)C L19406 [2,0,0,0,0,0|2,0,0]=4 194 B6R0.4 CC(=O)CCC=C B22505 [2,0,0,0,0,0|0,0,2]=4 195 B6R0.4 CC(=O)CCCCl A10269 [2,0,0,0,0,0|1,0,0]=3 196 B6R0.4 CC(=O)CCSC B22206 [2,0,0,0,0,0|1,0,0]=3 197 B6R0.4 CC(=O)NCCCl A11802 [2,0,0,0,0,0|2,0,0]=4 198 B6R0.4 CC(=O)NCCN L13398 [2,0,0,0,0,0|2,0,0]=4 199 B6R0.4 CC(=O)NCCO A18638 [2,0,0,0,0,0|2,0,0]=4 200 B6R0.4 CC(=O)OCSC H32310 [2,0,0,0,0,0|2,0,0]=4 201 B6R0.4 CC(=O)\C=C\OC A11235 [2,0,0,0,0,0|1,0,1]=4 202 B6R0.4 CCC#CC(=O)C L05315 [2,0,0,0,0,0|0,0,2]=4 203 B6R0.4 CCCCC(=O)C A14867 [2,0,0,0,0,0|0,0,0]=2 204 B6R0.4 CCCCC(=O)Cl B22637 [2,0,0,0,0,0|1,0,0]=3 205 B6R0.4 CCCCC(=O)N L14601 [2,0,0,0,0,0|1,0,0]=3 206 B6R0.4 CCCCC(=O)O A16238 [2,0,0,0,0,0|0,0,1]=3 207 B6R0.4 CCCCC(C)Br L03364 [2,0,0,0,0,0|1,0,1]=4 208 B6R0.4 CCCCC(C)O L05993 [2,0,0,0,0,0|0,0,2]=4 209 B6R0.4 CCCCC(C)[Zn+] H58543 [2,0,0,0,0,0|1,0,1]=4 210 B6R0.4 CCCC[C@@H](C)N L19304 [2,0,0,0,0,0|1,0,1]=4 211 B6R0.4 CCCC[C@H](C)N L19305 [2,0,0,0,0,0|1,0,1]=4 212 B6R0.4 CCCC[C@H](C)O L10401 [2,0,0,0,0,0|0,0,2]=4 213 B6R0.4 CCCC[Sn](=O)O A18290 [2,0,0,0,0,0|1,0,1]=4 214 B6R0.4 CCCNC(=O)N A10160 [2,0,0,0,0,0|2,0,0]=4 215 B6R0.4 CCCOC(=O)C L15355 [2,0,0,0,0,0|1,0,0]=3 216 B6R0.4 CCCSC(=O)C B21875 [2,0,0,0,0,0|1,0,0]=3 217 B6R0.4 CCOCC(=O)Cl H34443 [2,0,0,0,0,0|2,0,0]=4 218 B6R0.4 CCOCC(=O)O B24194 [2,0,0,0,0,0|1,0,1]=4 219 B6R0.4 CCSCC(=O)C L04142 [2,0,0,0,0,0|1,0,0]=3 220 B6R0.4 CCSCC(=O)O L04743 [2,0,0,0,0,0|1,0,1]=4 221 B6R0.4 CC\C=C\C(=O)O A12689 [2,0,0,0,0,0|1,0,1]=4 222 B6R0.4 CSCCC(=O)O L12861 [2,0,0,0,0,0|1,0,1]=4 223 B6R0.6 CCCCC#CC B21528 [2,0,0,0,0,0|0,0,2]=4 224 B6R0.6 CCCCCC=C L11487 [2,0,0,0,0,0|0,0,2]=4 225 B6R0.6 CCCCCC=O A16265 [2,0,0,0,0,0|0,0,1]=3 226 B6R0.6 CCCCCCC 22911 [2,0,0,0,0,0|0,0,2]=4 227 B6R0.6 CCCCCCC 32441 [2,0,0,0,0,0|0,0,2]=4 228 B6R0.6 CCCCCCC 40978 [2,0,0,0,0,0|0,0,2]=4 229 B6R0.6 CCCCCCC 44457 [2,0,0,0,0,0|0,0,2]=4 230 B6R0.6 CCCCCCC 47191 [2,0,0,0,0,0|0,0,2]=4 231 B6R0.6 CCCCCCC A19894 [2,0,0,0,0,0|0,0,2]=4 232 B6R0.6 CCCCCCC H33987 [2,0,0,0,0,0|0,0,2]=4 233 B6R0.6 CCCCCNC L04882 [2,0,0,0,0,0|1,0,1]=4 234 B6R0.6 CCCCN=C=O L05664 [2,0,0,0,0,0|1,0,1]=4 235 B6R0.6 CCCCNCC B22881 [2,0,0,0,0,0|1,0,1]=4 236 B6R0.6 CCCCOC=C B23673 [2,0,0,0,0,0|1,0,1]=4 237 B6R0.6 CCCCOC=O A13882 [2,0,0,0,0,0|1,0,0]=3 238 B6R0.6 CCCCOCC A17963 [2,0,0,0,0,0|1,0,1]=4 239 B6R0.6 CCCCON=O H56501 [2,0,0,0,0,0|2,0,0]=4 240 B6R0.6 CCC\C=C\C=O A11513 [2,0,0,0,0,0|0,0,1]=3 241 B6R0.6 CCC\C=C\CC B25297 [2,0,0,0,0,0|0,0,2]=4 242 B6R0.6 CCC\C=C\CC H53482 [2,0,0,0,0,0|0,0,2]=4 243 B6R0.6 C\C=C/CCCO A19266 [2,0,0,0,0,0|1,0,0]=3 244 B6R0.6 C\C=C\CCCO H54459 [2,0,0,0,0,0|1,0,0]=3 245 B6R0.3 C(C(=O)C(=O)O)Br L00720 [2,0,0,0,0,0|2,0,0]=4 246 B6R0.3 CC(=C)C(=O)OC A13030 [2,0,0,0,0,0|2,0,0]=4 247 B6R0.3 CC(=O)C(=O)OC A13966 [2,0,0,0,0,0|1,0,0]=3 248 B6R0.3 CCC(=O)C(=O)C A13116 [2,0,0,0,0,0|0,0,0]=2 249 B6R0.3 CCC(=O)N(C)C H64850 [2,0,0,0,0,0|2,0,0]=4 250 B6R0.3 CCC(C(=O)C)S B21797 [2,0,0,0,0,0|0,1,1]=4 251 B6R0.3 CCC(C)C(=O)C A19999 [2,0,0,0,0,0|1,0,1]=4 252 B6R0.3 COC(=O)C(=O)Cl L13258 [2,0,0,0,0,0|2,0,0]=4 253 B6R0.3 C\C=C(/C)\C(=O)C L13548 [2,0,0,0,0,0|1,0,1]=4 254 B8R0.1 CCCCC(=O)OCC A14854 [1,1,0,0,0,0|0,0,1]=3 255 B8R0.1 CCCCC(=O)\C=C\C B22250 [1,1,0,0,0,0|0,0,0]=2 256 B8R0.1 CCOC(=O)CCCBr A13470 [1,1,0,0,0,0|1,0,1]=4 257 B8R0.1 CCOC(=O)CCCCl A11070 [1,1,0,0,0,0|1,0,1]=4 258 B8R0.1 CCOC(=O)CCCN L06863 [1,1,0,0,0,0|1,0,1]=4 259 B8R0.1 CCOC(=O)CCC[Zn+] H58023 [1,1,0,0,0,0|1,0,1]=4 260 B8R0.1 CCOC(=O)CCSC A11742 [1,1,0,0,0,0|1,0,1]=4 261 B8R0.3 CCCC(C)C(=O)OC A19812 [1,1,0,0,0,0|1,0,0]=3 262 B8R0.3 CCC[C@@H](C(=O)OC)N H65017 [1,1,0,0,0,0|1,0,0]=3 263 B8R0.6 CCCC#CC(=O)OC B23065 [1,1,0,0,0,0|1,0,1]=4 264 B8R0.6 CCCCCC(=O)C=C L07189 [1,1,0,0,0,0|0,0,1]=3 265 B8R0.6 CCCCCC(=O)CC A12113 [1,1,0,0,0,0|0,0,1]=3 266 B8R0.6 CCCCCC(=O)OC A10757 [1,1,0,0,0,0|1,0,0]=3 267 B8R0.6 CCCCOC(=O)C=C L03476 [1,1,0,0,0,0|0,0,1]=3 268 B8R0.6 CCCCOC(=O)CC B20125 [1,1,0,0,0,0|0,0,1]=3 269 B8R0.6 CCC\C=C\C(=O)OC L08030 [1,1,0,0,0,0|1,0,1]=4 270 B8R0.6 COC(=O)CCCC#C H53370 [1,1,0,0,0,0|1,0,1]=4 271 B8R0.6 COC(=O)CCCCBr A19072 [1,1,0,0,0,0|1,0,0]=3 272 B8R0.6 COC(=O)CCCCCl B25408 [1,1,0,0,0,0|1,0,0]=3 273 B8R0.6 COC(=O)CCCSC L11000 [1,1,0,0,0,0|1,0,0]=3 274 B8R0.6 COCCOC(=O)C=C L11902 [1,1,0,0,0,0|1,0,1]=4 275 B8R0.9 CC(=O)CCC(=O)OC 43397 [1,1,0,0,0,0|1,0,1]=4 276 B8R0.9 CC(C)COC(=O)C=C L12739 [1,1,0,0,0,0|1,0,1]=4 277 B8R0.9 CCC(=O)OCC(C)C H59612 [1,1,0,0,0,0|1,0,1]=4 278 B8R0.11 CCCCC(CC)C=O B23471 [1,1,0,0,0,0|0,0,2]=4 279 B8R0.19 CCC(=O)CC(=O)CC A18165 [1,1,0,0,0,0|0,0,2]=4 280 B8R0.19 CCC(=O)CC(=O)OC B24848 [1,1,0,0,0,0|1,0,1]=4 281 B8R0.5 CC(COC)OC(=O)C L15459 [1,1,0,0,0,0|2,0,0]=4 282 B8R0.7 C(CCC(=O)Cl)CCBr A11063 [1,1,0,0,0,0|1,0,1]=4 283 B8R0.7 C(CCC(=O)Cl)CCCl L11111 [1,1,0,0,0,0|1,0,1]=4 284 B8R0.7 C(CCC(=O)O)CCBr A15761 [1,1,0,0,0,0|1,0,1]=4 285 B8R0.7 C(CCC(=O)O)CCN A14719 [1,1,0,0,0,0|1,0,1]=4 286 B8R0.7 C(CCC(=O)O)CCO B24857 [1,1,0,0,0,0|1,0,1]=4 287 B8R0.7 CC(=O)OCCCC=C B20258 [1,1,0,0,0,0|1,0,1]=4 288 B8R0.7 CC(=O)OCCCCBr A15632 [1,1,0,0,0,0|1,0,0]=3 289 B8R0.7 CC(=O)OCCCCCl B22582 [1,1,0,0,0,0|1,0,0]=3 290 B8R0.7 CC(=O)OCCCCI H31826 [1,1,0,0,0,0|1,0,0]=3 291 B8R0.7 CCCCCCC(=O)C A11643 [1,1,0,0,0,0|0,0,1]=3 292 B8R0.7 CCCCCCC(=O)Cl L03315 [1,1,0,0,0,0|1,0,1]=4 293 B8R0.7 CCCCCCC(=O)O A17704 [1,1,0,0,0,0|1,0,1]=4 294 B8R0.7 CCCCCOC(=O)C L10852 [1,1,0,0,0,0|0,0,1]=3 295 B8R0.7 CCCCOCC(=O)O H50210 [1,1,0,0,0,0|1,0,1]=4 296 B8R0.7 CCCC\C=C\C(=O)C A14652 [1,1,0,0,0,0|0,0,0]=2 297 B8R0.7 CCCC\C=C\C(C)O B21741 [1,1,0,0,0,0|0,0,2]=4 298 B8R0.7 CCOCCOC(=O)C A13639 [1,1,0,0,0,0|1,0,0]=3 299 B8R0.28 CC(=CCCC(=O)C)C A13335 [1,1,0,0,0,0|1,0,1]=4 300 B8R0.28 CC(C)CCCC(=O)O A19012 [1,1,0,0,0,0|1,0,1]=4 301 B8R0.28 CC(C)CCOC(=O)C B21618 [1,1,0,0,0,0|1,0,0]=3 302 B8R0.28 CC(CCC=C(C)C)O L09181 [1,1,0,0,0,0|1,0,0]=3 303 B8R0.28 C[C@@H](CCC=C(C)C)O L18884 [1,1,0,0,0,0|1,0,0]=3 304 B8R0.28 C[C@H](CCC=C(C)C)O L18883 [1,1,0,0,0,0|1,0,0]=3 305 B8R0.14 CCCC(=O)C(C)(C)C B20612 [1,1,0,0,0,0|1,0,1]=4 306 B8R0.23 CC(C)CC(=O)C(=O)O H60076 [1,1,0,0,0,0|1,0,0]=3 307 B10R0.6 CC(=O)CC(=O)OCCOC L10622 [0,1,0,0,0,1|1,0,0]=3 308 B10R0.6 CCCCCC(=O)CC(=O)C L01151 [0,1,0,0,0,1|0,0,0]=2 309 B10R0.32 CCOC(=O)C(=O)CC(=O)C A13808 [0,1,0,0,0,1|1,0,1]=4 310 B10R0.35 CCCC(C)C(=O)C(C)CC B20799 [0,2,0,0,0,0|1,0,1]=4 311 B10R0.19 CCCCC(=O)C(C)CCC B23219 [0,2,0,0,0,0|1,0,1]=4 312 B10R0.19 CCCCC(=O)C(CCC)Br H32136 [0,2,0,0,0,0|1,0,1]=4 313 B10R0.19 CCCCC(C(=O)OCC)Br B25273 [0,2,0,0,0,0|1,0,1]=4 314 B10R0.21 CCCCC(=O)C(CC)CC B20175 [0,2,0,0,0,0|1,0,1]=4 315 B10R0.83 COC(=O)[C@H](CCCCN)N A18157 [0,2,0,0,0,0|1,0,1]=4 316 B10R0.17 CCCCC(C(=O)C)C(=O)C A11236 [0,2,0,0,0,0|0,0,1]=3 317 B10R0.17 CCOC=C(C(=O)C)C(=O)C B25445 [0,2,0,0,0,0|1,0,1]=4 318 B10R0.98 CC(=C)C(=O)OCCN(C)C L13507 [0,2,0,0,0,0|2,0,0]=4 319 B10R0.98 CC(C)CCOC(=O)C(C)C B24879 [0,2,0,0,0,0|1,0,1]=4 320 B8R1.1 CCC1CCC(=O)C1 B20432 [1,0,0,1,0,0|0,0,1]=3 321 B8R1.1 CCC1CCC(=O)O1 A19642 [1,0,0,1,0,0|1,0,1]=4 322 B8R1.2 C1CCC(CC1)C=O B23837 [1,0,0,1,0,0|1,0,1]=4 323 B8R1.2 C1CCN(CC1)C=O B23452 [1,0,0,1,0,0|2,0,0]=4 324 B8R1.3 CC1CCC(=O)CC1 A13186 [1,0,0,1,0,0|0,0,1]=3 325 B8R1.3 CN1CCC(=O)CC1 A13352 [1,0,0,1,0,0|1,0,1]=4 326 B8R1.5 C1CCC(=O)C(=O)C1 A14401 [1,0,0,1,0,0|0,0,0]=2 327 B8R1.5 C1CCC(=O)C(C1)Cl A18613 [1,0,0,1,0,0|1,0,1]=4 328 B8R1.5 C1CCC(=O)C(C1)F H26032 [1,0,0,1,0,0|1,0,1]=4 329 B8R1.5 CC1CCCCC1=O A14741 [1,0,0,1,0,0|0,0,1]=3 330 B8R1.22 C1CC(=O)CCNC1 H66355 [1,0,0,1,0,0|1,0,1]=4 331 B8R1.22 C1CCC(=O)NCC1 L06999 [1,0,0,1,0,0|1,0,0]=3 332 B8R1.22 C1CCC(=O)OCC1 A10299 [1,0,0,1,0,0|1,0,0]=3 333 B8R1.22 C1CCC(=O)[N-]CC1 44686 [1,0,0,1,0,0|1,0,0]=3 334 B8R1.22 C1CCCC(=O)CC1 A13421 [1,0,0,1,0,0|0,0,1]=3 335 B8R1.22 C1CNCCNC1=O H26990 [1,0,0,1,0,0|2,0,0]=4 336 B8R1.22 C1COCCNC1=O B22406 [1,0,0,1,0,0|2,0,0]=4 337 B8R1.38 COC(=O)C1CNC1 H57489 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.50 CC1CCC(=O)C1=O A10255 [1,0,0,1,0,0|0,0,0]=2 339 B8R1.4 CC1CCCC(=O)O1 A19274 [1,0,0,1,0,0|1,0,1]=4 340 B8R1.4 CN1CCNC(=O)C1 H57633 [1,0,0,1,0,0|2,0,0]=4 341 B8R1.7 C1CC=C(C1)C(=O)O A13271 [1,0,0,1,0,0|1,0,1]=4 342 B8R1.7 C1CCC(C1)C(=O)Cl A14142 [1,0,0,1,0,0|1,0,1]=4 343 B8R1.7 C1CCC(C1)C(=O)O A12375 [1,0,0,1,0,0|1,0,1]=4 344 B8R1.7 C1CCN(C1)C(=O)Cl L13396 [1,0,0,1,0,0|2,0,0]=4 345 B8R1.7 CC(=O)C1CCCC1 H64744 [1,0,0,1,0,0|0,0,1]=3 346 B10R1.16 CCCCC1CCC(=O)O1 A18142 [0,0,0,1,0,1|1,0,1]=4 347 B10R1.16 CCCCc1ccc(s1)C B24943 [0,0,0,1,0,1|2,0,0]=4 348 B10R1.18 C1CCC(=CC1)CC(=O)O 19462 [0,0,0,1,0,1|2,0,0]=4 349 B10R1.18 CC(=O)CC1CCCCC1 A12748 [0,0,0,1,0,1|1,0,1]=4 350 B10R1.18 CC(=O)OC1=CCCCC1 L04970 [0,0,0,1,0,1|1,0,0]=3 351 B10R1.61 CC(=O)C1CCCCC1=O L02753 [0,0,0,1,0,1|0,0,0]=2 352 B10R1.301 CC1CCCC(C1=O)(C)C B21111 [0,1,0,1,0,0|1,0,1]=4 353 B10R1.13 CC(=O)N1CCC(CC1)N H30389 [0,1,0,1,0,0|2,0,0]=4 354 B10R1.205 CC(=C)C(=O)OCC1CO1 L11133 [0,1,0,1,0,0|2,0,0]=4 355 B10R1.15 CCC(=O)C1CCCCC1 B20409 [0,1,0,1,0,0|1,0,1]=4 356 B10R1.15 COC(=O)C1=CCCCC1 B25568 [0,1,0,1,0,0|1,0,0]=3 357 B10R1.19 C=CN1CCCCCC1=O B21311 [0,1,0,1,0,0|2,0,0]=4 358 B10R1.176 CCN1CCC(=O)C(C1)C L17124 [0,1,0,1,0,0|1,0,1]=4 359 B10R1.348 CC(=O)N1CCCNCC1 H50260 [0,1,0,1,0,0|2,0,0]=4 360 B10R1.131 CCCC1=NN(C(=O)C1)C L05425 [0,1,0,1,0,0|2,0,0]=4