0 B7R0.16 C(C(=O)O)(C(=O)O)N S6129 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.16 C(C(=O)O)(C(=O)O)N S6129 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.16 CC(C(=O)O)C(=O)O S3683 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.16 CC(C(C(=O)O)N)O S4951 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.16 CC(C)C(=O)C(=O)O S6148 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.16 CC(C)C(C(=O)O)N S5628 [0,0,0,0,0,0|0,0,0]=0 6 B7R0.16 CC(C)C(C(=O)O)O S6098 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.2 CC(=CC(=O)O)C S6247 [1,0,0,0,0,0|0,0,2]=3 8 B6R0.2 CC(C)CC(=O)N S4116 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.2 CC(C)CC(=O)O S6287 [1,0,0,0,0,0|0,0,0]=1 10 B6R0.2 CC(CC(=O)O)O S1031 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.2 CN(C)CC(=O)O S6056 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.3 C(C(=O)C(=O)O)Br S5426 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.3 C(C(C(=O)O)N)O S5545 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.3 C(C(C(=O)O)N)O S6224 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.3 C(C(C(=O)O)N)O S9353 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.3 C(C(C(=O)O)N)S S4815 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.3 C(C(C(=O)O)N)S S5635 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.3 CC(CN)C(=O)O S6134 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.3 CC=C(C)C(=O)O S3789 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.3 CC=C(C)C(=O)O S3803 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.3 CCC(=O)C(=O)O S6329 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.3 CCC(C(=O)O)N S6203 [1,0,0,0,0,0|0,0,0]=1 23 B6R0.3 CCC(C(=O)O)N S6330 [1,0,0,0,0,0|0,0,0]=1 24 B6R0.3 CCC(C(=O)O)O S6119 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.2 C(C(C(C(=O)[O-])O)O)O S6312 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.2 CCC(C)C(C(=O)O)N S3752 [0,1,0,0,0,0|0,0,0]=1 27 B8R0.27 CC(C)(C(C(=O)O)N)S S1853 [0,1,0,0,0,0|0,0,0]=1 28 B8R0.27 CC(C)(C(C(=O)O)N)S S1853 [0,1,0,0,0,0|0,0,0]=1 29 B8R0.23 C(C(C(=O)O)N)C(=O)N S4950 [0,0,0,0,0,1|2,0,1]=4 30 B8R0.23 C(C(C(=O)O)N)C(=O)N S5571 [0,0,0,0,0,1|2,0,1]=4 31 B8R0.23 C(C(C(=O)O)N)C(=O)O S5129 [0,0,0,0,0,1|2,0,1]=4 32 B8R0.23 C(C(C(=O)O)N)C(=O)O S5632 [0,0,0,0,0,1|2,0,1]=4 33 B8R0.23 CC(C)C(CC(=O)O)N S6142 [0,0,0,0,0,1|0,0,0]=1 34 B8R0.23 CC(C)CC(C(=O)O)N S3753 [0,0,0,0,0,1|0,0,0]=1 35 B8R0.23 CC(C)CC(C(=O)O)O S6046 [0,0,0,0,0,1|1,0,0]=2 36 B5R0.1 C(C(=O)O)ON S4989 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.1 C(CN)C(=O)O S5526 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.1 CCCC(=O)[O-] S1999 [2,0,0,0,0,0|0,0,1]=3 39 B5R0.1 CCCC(=O)[O-] S1999 [2,0,0,0,0,0|0,0,1]=3 40 B5R0.1 CCOC(=O)N S4544 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 CCOC(=O)N S4544 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 CNCC(=O)O S4702 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.1 CNCC(=O)O S4702 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.5 CC(C(=O)O)N S3203 [2,0,0,0,0,0|0,0,0]=2 45 B5R0.5 CC(C(=O)O)N S5631 [2,0,0,0,0,0|0,0,0]=2 46 B5R0.5 CC(C(=O)O)O S6250 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.5 CC(C(=O)[O-])O S4829 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.5 CC(C(=O)[O-])O S5625 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.5 CC(C(=O)[O-])O S6010 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.5 CC(C(C)O)O S6040 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.2 CCC(C)CC(=O)O S6089 [1,1,0,0,0,0|0,0,0]=2 52 B7R0.9 CC(C)(CC(=O)O)O S6124 [1,1,0,0,0,0|0,0,0]=2 53 B7R0.9 C[N+](C)(C)CC(=O)[O-] S3755 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.5 CC(CC=C)C(=O)O S6167 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.5 CCC=C(C)C(=O)O S6327 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.5 CCCC(C(=O)O)N S6334 [1,1,0,0,0,0|0,0,0]=2 57 B7R0.5 CSCC(C(=O)O)N S4786 [1,1,0,0,0,0|0,0,0]=2 58 B7R0.13 CCC(C)(C(=O)O)O S6183 [1,1,0,0,0,0|1,0,0]=3 59 B7R0.15 CCC(CC)C(=O)O S6057 [1,1,0,0,0,0|1,0,0]=3 60 B9R0.79 CC(C(C)O)C(C(=O)O)N S9062 [0,1,0,0,0,1|1,0,0]=3 61 B9R0.79 CC(C(C)O)C(C(=O)O)N S9393 [0,1,0,0,0,1|1,0,0]=3 62 B7R1.4 C1C(C(=O)NO1)N S1998 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.4 C1C(C(=O)NO1)N S3945 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.4 C=C1CCOC1=O S5148 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.18 C1CNC1C(=O)O S5572 [1,0,0,1,0,0|0,0,0]=2 66 B9R1.35 C1C(CNC1C(=O)O)O S5820 [0,0,0,1,0,1|1,0,0]=3 67 B9R1.38 CC1(C(=O)NC(=O)O1)C S4624 [0,0,0,1,0,1|1,0,1]=4 68 B9R1.38 CC1(C(=O)NC(=O)O1)C S4624 [0,0,0,1,0,1|1,0,1]=4 69 B9R1.138 CC1(COC(=O)C1O)C S6027 [0,1,0,1,0,0|1,0,0]=3 70 B7R0.6 CC(=O)CCC(=O)O S6207 [1,0,0,0,0,1|1,0,1]=4 71 B7R0.6 CC(C)CCC(=O)O S6278 [1,0,0,0,0,1|0,0,0]=2 72 B9R0.7 CC(=O)OCC(C(=O)O)N S6144 [0,0,0,0,0,2|1,0,1]=4 73 B9R0.7 CC(=O)OCC(C(=O)O)N S6144 [0,0,0,0,0,2|1,0,1]=4 74 B9R0.7 C[S+](C)CCC(C(=O)O)N S4811 [0,0,0,0,0,2|1,0,0]=3