0 B8R0.28 CC(C)CCCC(C)N S6477 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.4 CCCCCC(C)N S4520 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.4 CCCCCC(C)N S4520 [1,0,0,0,0,0|2,0,1]=4 3 B9R0.7 CC(=O)OCC(C(=O)O)N S6144 [0,1,0,0,0,0|2,0,1]=4 4 B9R0.7 CC(=O)OCC(C(=O)O)N S6144 [0,1,0,0,0,0|2,0,1]=4 5 B9R0.7 C[S+](C)CCC(C(=O)O)N S4811 [0,1,0,0,0,0|3,0,0]=4 6 B9R0.56 CC(=O)OCC[N+](C)(C)C S1805 [0,1,0,0,0,0|1,0,0]=2 7 B9R0.56 CC(=O)OCC[N+](C)(C)C S1805 [0,1,0,0,0,0|1,0,0]=2 8 B9R0.56 CC(=O)OCC[N+](C)(C)C S4718 [0,1,0,0,0,0|1,0,0]=2 9 B9R0.56 CC(=O)OCC[N+](C)(C)C S4718 [0,1,0,0,0,0|1,0,0]=2 10 B9R0.56 C[N+](C)(C)CCOC(N)=O S4359 [0,1,0,0,0,0|2,0,0]=3 11 B9R0.56 C[N+](C)(C)CCOC(N)=O S4359 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.6 CC(=O)CCC(=O)O S6207 [0,0,0,0,1,0|2,0,1]=4 13 B7R0.6 CC(C)CCC(=O)O S6278 [0,0,0,0,1,0|1,0,0]=2 14 B6R0.4 C(CC(=O)O)CN S4700 [2,0,0,0,0,0|2,0,0]=4 15 B6R0.4 C(CC(=O)O)CN S4700 [2,0,0,0,0,0|2,0,0]=4 16 B6R0.4 CSCCC(=O)O S6341 [2,0,0,0,0,0|2,0,0]=4 17 B6R0.6 CCCC=CC=O S6303 [2,0,0,0,0,0|1,0,1]=4 18 B8R0.7 C(CCC(=O)O)CCN S1671 [1,1,0,0,0,0|2,0,0]=4 19 B8R0.7 C(CCC(=O)O)CCN S1671 [1,1,0,0,0,0|2,0,0]=4 20 B8R0.7 C(CCC(=O)O)CCN S1671 [1,1,0,0,0,0|2,0,0]=4 21 B8R0.8 CCCCC(C)C(=O)O S6079 [1,1,0,0,0,0|2,0,0]=4 22 B8R0.23 CC(C)C(CC(=O)O)N S6142 [0,1,0,0,1,0|1,0,0]=3 23 B8R0.23 CC(C)CC(C(=O)O)N S3753 [0,1,0,0,1,0|1,0,0]=3 24 B8R0.23 CC(C)CC(C(=O)O)O S6046 [0,1,0,0,1,0|1,0,0]=3 25 B10R0.3 CC(CCC=C(C)C)CC=O S5585 [0,2,0,0,0,0|2,0,0]=4 26 B10R0.3 CC(CCC=C(C)C)CC=O S6164 [0,2,0,0,0,0|2,0,0]=4 27 B10R0.3 CC(CCC=C(C)C)CCO S5584 [0,2,0,0,0,0|2,0,0]=4 28 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C S3684 [0,2,0,0,0,0|1,0,0]=3 29 B10R0.31 CC(C[N+](C)(C)C)OC(=O)N S2455 [0,2,0,0,0,0|2,0,0]=4 30 B10R0.31 CC(C[N+](C)(C)C)OC(=O)N S2455 [0,2,0,0,0,0|2,0,0]=4 31 B8R1.1 CCC1CCC(=O)O1 S6265 [1,0,0,1,0,0|2,0,0]=4 32 B6R0.2 CC(C)CC(=O)N S4116 [0,0,0,0,2,0|1,0,0]=3 33 B6R0.2 CC(C)CC(=O)O S6287 [0,0,0,0,2,0|1,0,0]=3 34 B6R0.2 CC(CC(=O)O)O S1031 [0,0,0,0,2,0|2,0,0]=4 35 B6R0.2 CN(C)CC(=O)O S6056 [0,0,0,0,2,0|2,0,0]=4