0 B7R0.6 CC(C)CCC(=O)O C21399 [1,0,0,0,0,0|2,0,0]=3 1 B7R0.6 C[S+](C)CCC(=O)[O-] C04022 [1,0,0,0,0,0|3,0,0]=4 2 B9R0.24 CNC(=O)O\N=C(/C)SC C11196 [0,1,0,0,0,0|2,0,1]=4 3 B9R1.138 CC1(C)COC(=O)C1=O C01125 [0,0,0,1,0,0|1,0,1]=3 4 B9R1.138 CC1(C)COC(=O)[C@@H]1O C01012 [0,0,0,1,0,0|1,0,0]=2 5 B7R0.2 CCC(=O)CC(=O)O C02233 [0,0,0,0,1,0|2,0,1]=4 6 B7R0.2 [*]SC(=O)C[C@@H](C)O C04618 [0,0,0,0,1,0|3,0,0]=4 7 B6R0.1 C=CC(=O)OCC C19238 [2,0,0,0,0,0|0,0,2]=4 8 B6R0.1 COCC(=O)OC C14601 [2,0,0,0,0,0|2,0,0]=4 9 B6R0.1 [*]SC(=O)CCC C05745 [2,0,0,0,0,0|2,0,0]=4 10 B6R0.4 CC(=O)SCCN C03537 [2,0,0,0,0,0|1,1,0]=4 11 B6R0.4 CC(C)CCC=O C02373 [2,0,0,0,0,0|1,0,0]=3 12 B6R0.4 CC(C)C\C=N\O C17255 [2,0,0,0,0,0|2,0,0]=4 13 B6R0.4 CCCCC(=O)O C00803 [2,0,0,0,0,0|2,0,0]=4 14 B6R0.4 CCCCC(N)=O C01842 [2,0,0,0,0,0|2,0,0]=4 15 B6R0.4 CCCOC(N)=O C19514 [2,0,0,0,0,0|1,0,0]=3 16 B6R0.4 [*]CCNC(C)=O C15535 [2,0,0,0,0,0|2,0,0]=4 17 B6R0.6 CC\C=C/CCO C08492 [2,0,0,0,0,0|2,0,0]=4 18 B8R0.6 C=CC(=O)OCCCC C10921 [1,1,0,0,0,0|0,0,2]=4 19 B8R0.6 CCCCCC(=O)CC C17145 [1,1,0,0,0,0|1,0,0]=3 20 B8R0.6 CCCCCC(=O)NC C02722 [1,1,0,0,0,0|2,0,0]=4 21 B8R0.8 C=C(C)C(=O)OCCO C14530 [1,1,0,0,0,0|1,0,1]=4 22 B8R0.5 CCOC(=O)CC(C)C C12290 [1,1,0,0,0,0|2,0,0]=4 23 B8R0.23 CC(C)CC(=O)C(=O)O C00233 [1,1,0,0,0,0|2,0,0]=4 24 B8R0.23 CC(C)CC(N)C(=O)O C16439 [1,1,0,0,0,0|2,0,0]=4 25 B8R0.23 CC(C)C[C@@H](N)C(=O)O C01570 [1,1,0,0,0,0|2,0,0]=4 26 B8R0.23 CC(C)C[C@@H](O)C(=O)O C03264 [1,1,0,0,0,0|2,0,0]=4 27 B8R0.23 CC(C)C[C@H](N)C(=O)O C00123 [1,1,0,0,0,0|2,0,0]=4 28 B8R0.23 CC(C)[C@H](N)CC(=O)O C02486 [1,1,0,0,0,0|2,0,0]=4 29 B8R1.5 O=C1CCCCC1O C01147 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.22 O=C1CCCCCN1 C06593 [1,0,0,1,0,0|1,0,0]=3 31 B8R1.22 O=C1CCCCCO1 C01880 [1,0,0,1,0,0|0,0,0]=2 32 B10R1.13 C=C1C=CC(C(C)C)CC1 C19818 [0,0,0,1,0,1|2,0,0]=4 33 B10R1.13 C=C1C=C[C@@H](C(C)C)CC1 C11392 [0,0,0,1,0,1|2,0,0]=4 34 B10R1.13 C=C1C=C[C@H](C(C)C)CC1 C09877 [0,0,0,1,0,1|2,0,0]=4 35 B10R1.119 O=C1OC[C@@H](O)[C@H](O)[C@H]1O C02266 [0,1,0,1,0,0|2,0,0]=4 36 B10R1.119 O=C1OC[C@H](O)[C@H](O)[C@H]1O C05405 [0,1,0,1,0,0|2,0,0]=4 37 B6R0.2 CC(=O)CC(C)=O C15499 [1,0,0,0,1,0|1,0,1]=4 38 B6R0.2 CC(=O)CC(C)C C19263 [1,0,0,0,1,0|0,0,0]=2 39 B6R0.2 CC(C)CC(=O)O C08262 [1,0,0,0,1,0|1,0,0]=3 40 B6R0.2 CC(C)OC(=S)S C19127 [1,0,0,0,1,0|1,1,0]=4 41 B6R0.2 CC(O)CC(N)=O C11109 [1,0,0,0,1,0|2,0,0]=4 42 B6R0.2 CN(C)CC(=O)O C01026 [1,0,0,0,1,0|2,0,0]=4 43 B6R0.2 C[C@@H](O)CC(=O)O C01089 [1,0,0,0,1,0|2,0,0]=4 44 B6R0.2 C[C@H](O)CC(=O)O C03197 [1,0,0,0,1,0|2,0,0]=4 45 B6R0.2 C[S+](C)CC(=O)O C03392 [1,0,0,0,1,0|2,0,0]=4