0 B7R0.9 CC(=O)OC(C)(C)C 06819 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 CC(C)(C)OC(N)=O 31379 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.9 C[N+](C)(C)CC(=O)O 29816 [0,0,0,0,0,0|0,0,1]=1 3 B7R0.9 C[N+](C)(C)CC(=O)[O-] 00661 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.9 C[N+](C)(C)CC(=O)[O-] 30723 [0,0,0,0,0,0|0,0,0]=0 5 B6R0.2 CC(=O)CC(C)=O 02346 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.2 CC(N)CC(=O)O 21614 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.2 CC(O)CC(=O)[O-] 22037 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.2 C[C@@H](N)CC(=O)O 16636 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.2 C[C@H](N)CC(=O)O 12762 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.2 C[C@H](N)CC(=O)O 21056 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.2 O=C([O-])CC(=O)[O-] 01959 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.5 CC(C)(C)CC=O 27622 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.5 C[N+](C)(C)CCO 00453 [1,0,0,0,0,0|0,0,2]=3 14 B6R0.5 C[Si](C)(C)CCO 23185 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.24 CC(C)(C)OC(=O)CBr 24435 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.24 CC(C)(C)OC(=O)CN 03072 [0,1,0,0,0,0|3,0,0]=4 17 B8R0.24 CC(C)(C)OC(=O)CN 04433 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.24 CC(C)(C)OC(=O)CO 31329 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.24 CC(C)(C)OC(=O)NN 02286 [0,1,0,0,0,0|3,0,0]=4 20 B8R0.24 CC(C)(C)OC(=O)NO 29751 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.27 CC(C)(C)C(N)C(=O)O 08466 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O 02555 [0,1,0,0,0,0|1,0,1]=3 23 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 02554 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.27 CC(C)(S)C(N)C(=O)O 21824 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O 02591 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.27 CC(C)(S)[C@H](N)C(=O)O 02590 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.7 CC(C)(C)S(N)=O 31460 [0,0,0,0,1,0|3,0,0]=4 28 B6R0.7 CC(C)(C)[S@@](N)=O 31474 [0,0,0,0,1,0|3,0,0]=4 29 B6R0.7 CC(C)(C)[S@](N)=O 29747 [0,0,0,0,1,0|3,0,0]=4 30 B6R0.7 CC(C)(N)C(=O)O 02864 [0,0,0,0,1,0|2,0,1]=4 31 B6R0.7 CC(C)(O)C(=O)O 14074 [0,0,0,0,1,0|2,0,1]=4 32 B8R0.29 CC(=O)ONC(C)(C)C 31264 [0,0,0,0,0,1|3,0,0]=4 33 B5R0.1 CNCC(=O)O 01319 [2,0,0,0,0,0|0,0,2]=4 34 B5R0.1 CNCC(N)=O 06366 [2,0,0,0,0,0|1,0,1]=4 35 B7R0.16 CC(C)C(N)C(=O)O 00627 [1,1,0,0,0,0|1,0,1]=4 36 B7R0.16 CC(C)[C@@H](N)C(=O)O 00316 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.16 CC(C)[C@@H](N)C(N)=O 04459 [1,1,0,0,0,0|2,0,0]=4 38 B7R0.16 CC(C)[C@@H](O)C(=O)O 05646 [1,1,0,0,0,0|1,0,1]=4 39 B7R0.16 CC(C)[C@H](N)C(=O)O 00317 [1,1,0,0,0,0|1,0,1]=4 40 B7R0.16 CC(C)[C@H](N)C(N)=O 03166 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.16 CC(C)[C@H](N)C(N)=O 06265 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.16 CC(C)[C@H](O)C(=O)O 06278 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.13 CNC(C)(C)C(=O)O 06334 [0,1,0,0,1,0|1,0,1]=4 44 B9R0.57 CC(C)(C)CC(=O)C(=O)O 24192 [0,1,0,0,0,1|1,0,1]=4 45 B9R0.57 CC(C)(C)CC(N)C(=O)O 06236 [0,1,0,0,0,1|1,0,1]=4 46 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O 06235 [0,1,0,0,0,1|1,0,1]=4 47 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 06234 [0,1,0,0,0,1|1,0,1]=4 48 B7R1.20 O=C(O)CC1CC1 17070 [1,0,0,1,0,0|1,0,1]=4 49 B5R0.5 CC(=O)C(=O)[O-] 01189 [1,0,0,0,1,0|2,0,0]=4 50 B5R0.5 CC(=O)N(C)C 02302 [1,0,0,0,1,0|1,0,1]=4 51 B5R0.5 CC(O)C(=O)[O-] 01614 [1,0,0,0,1,0|2,0,0]=4 52 B5R0.5 CC(O)C(=O)[O-] 26499 [1,0,0,0,1,0|2,0,0]=4 53 B5R0.5 CN(C)C(N)=O 21201 [1,0,0,0,1,0|1,0,1]=4 54 B5R0.5 C[C@H](O)C(=O)[O-] 00420 [1,0,0,0,1,0|2,0,0]=4 55 B9R0.56 CC(=O)OCC[N+](C)(C)C 00003 [0,0,0,0,0,2|1,0,0]=3 56 B9R0.56 CC(=O)OCC[N+](C)(C)C 00770 [0,0,0,0,0,2|1,0,0]=3 57 B9R0.56 CC(=O)SCC[N+](C)(C)C 21751 [0,0,0,0,0,2|1,0,0]=3 58 B9R0.56 CC(=O)SCC[N+](C)(C)C 22049 [0,0,0,0,0,2|1,0,0]=3