0 B7R0.2 CCC(C)CC(=O)O S6089 [0,0,0,0,0,0|0,0,0]=0 1 B6R0.2 CC(=CC(=O)O)C S6247 [1,0,0,0,0,0|0,0,2]=3 2 B6R0.2 CC(C)CC(=O)N S4116 [1,0,0,0,0,0|1,0,0]=2 3 B6R0.2 CC(C)CC(=O)O S6287 [1,0,0,0,0,0|0,0,0]=1 4 B6R0.2 CC(CC(=O)O)O S1031 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.2 CN(C)CC(=O)O S6056 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.4 C(CC(=O)O)CN S4700 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.4 C(CC(=O)O)CN S4700 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.4 C=CCCC(=O)O S6268 [1,0,0,0,0,0|0,0,2]=3 9 B6R0.4 CSCCC(=O)O S6341 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.2 C(C(C(C(=O)[O-])O)O)O S6312 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.2 CCC(C)C(C(=O)O)N S3752 [0,1,0,0,0,0|0,0,0]=1 12 B8R0.5 CCOC(=O)CC(=O)C S6024 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.5 CCOC(=O)CC(=O)[O-] S6222 [0,1,0,0,0,0|1,0,2]=4 14 B8R0.16 C(C(CCl)OC(=O)N)Cl S6828 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.16 C(C(CCl)OC(=O)N)Cl S6828 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.23 C(C(C(=O)O)N)C(=O)O S5129 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.23 C(C(C(=O)O)N)C(=O)O S5632 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.23 C(C(C(=O)O)O)C(=O)O S6292 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.23 C(C(C(=O)O)O)C(=O)O S9001 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.23 CC(C)C(CC(=O)O)N S6142 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.23 CC(CC(=O)O)C(=O)O S6356 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.23 CN(CC(=O)O)C(=N)N S5588 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.23 CN(CC(=O)O)C(=N)N S6023 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.1 CCC1CCC(=O)O1 S6265 [0,0,0,1,0,0|2,0,0]=3 25 B6R0.3 C(C(=O)C(=O)O)Br S5426 [0,0,0,0,1,0|2,0,1]=4 26 B6R0.3 C(C(C(=O)O)N)O S5545 [0,0,0,0,1,0|2,0,0]=3 27 B6R0.3 C(C(C(=O)O)N)O S6224 [0,0,0,0,1,0|2,0,0]=3 28 B6R0.3 C(C(C(=O)O)N)O S9353 [0,0,0,0,1,0|2,0,0]=3 29 B6R0.3 C(C(C(=O)O)N)S S4815 [0,0,0,0,1,0|2,0,0]=3 30 B6R0.3 C(C(C(=O)O)N)S S5635 [0,0,0,0,1,0|2,0,0]=3 31 B6R0.3 CC(CN)C(=O)O S6134 [0,0,0,0,1,0|1,0,0]=2 32 B6R0.3 CC=C(C)C(=O)O S3789 [0,0,0,0,1,0|0,0,2]=3 33 B6R0.3 CC=C(C)C(=O)O S3803 [0,0,0,0,1,0|0,0,2]=3 34 B6R0.3 CCC(=O)C(=O)O S6329 [0,0,0,0,1,0|1,0,1]=3 35 B6R0.3 CCC(C(=O)O)N S6203 [0,0,0,0,1,0|1,0,0]=2 36 B6R0.3 CCC(C(=O)O)N S6330 [0,0,0,0,1,0|1,0,0]=2 37 B6R0.3 CCC(C(=O)O)O S6119 [0,0,0,0,1,0|1,0,0]=2 38 B8R0.9 C(C(=O)NCC(=O)O)N S4810 [0,0,0,0,0,1|2,0,1]=4 39 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [0,0,0,0,0,1|2,0,1]=4 40 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [0,0,0,0,0,1|2,0,1]=4 41 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [0,0,0,0,0,1|2,0,1]=4 42 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [0,0,0,0,0,1|2,0,1]=4 43 B5R0.1 C(C(=O)O)ON S4989 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 C(CN)C(=O)O S5526 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.1 CCCC(=O)[O-] S1999 [2,0,0,0,0,0|0,0,1]=3 46 B5R0.1 CCCC(=O)[O-] S1999 [2,0,0,0,0,0|0,0,1]=3 47 B5R0.1 CCOC(=O)N S4544 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 CCOC(=O)N S4544 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 CNCC(=O)O S4702 [2,0,0,0,0,0|1,0,0]=3 50 B5R0.1 CNCC(=O)O S4702 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.3 C(C(CO)O)O S2766 [2,0,0,0,0,0|2,0,0]=4 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 B7R0.16 CC(C(C(=O)O)N)O S4951 [1,1,0,0,0,0|1,0,0]=3 55 B7R0.16 CC(C)C(=O)C(=O)O S6148 [1,1,0,0,0,0|0,0,1]=3 56 B7R0.16 CC(C)C(C(=O)O)N S5628 [1,1,0,0,0,0|0,0,0]=2 57 B7R0.16 CC(C)C(C(=O)O)O S6098 [1,1,0,0,0,0|0,0,0]=2 58 B7R0.6 C(CC(=O)O)C(=O)O S3791 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.6 C(C[N+](=O)[O-])C(=O)O S3652 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.6 CC(=O)CCC(=O)O S6207 [1,1,0,0,0,0|0,0,1]=3 61 B7R0.6 CC(C)CCC(=O)O S6278 [1,1,0,0,0,0|0,0,0]=2 62 B7R0.8 C(CN)CS(=O)(=O)O S5131 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.13 CCC(C)(C(=O)O)O S6183 [0,1,0,0,1,0|0,0,0]=2 64 B7R0.15 CCC(CC)C(=O)O S6057 [0,1,0,0,1,0|0,0,0]=2 65 B9R0.7 CC(C(=O)NCC(=O)O)S S2062 [0,1,0,0,0,1|1,0,1]=4 66 B9R0.7 CC(C(=O)NCC(=O)O)S S2062 [0,1,0,0,0,1|1,0,1]=4 67 B9R0.7 CC(CCC(=O)O)C(=O)O S6110 [0,1,0,0,0,1|1,0,1]=4 68 B9R0.79 CC(C(C)O)C(C(=O)O)N S9062 [0,2,0,0,0,0|0,0,0]=2 69 B9R0.79 CC(C(C)O)C(C(=O)O)N S9393 [0,2,0,0,0,0|0,0,0]=2 70 B9R0.39 CNC(CC(=O)O)C(=O)O S7072 [0,2,0,0,0,0|1,0,1]=4 71 B9R0.39 CNC(CC(=O)O)C(=O)O S7072 [0,2,0,0,0,0|1,0,1]=4 72 B7R1.18 C1CNC1C(=O)O S5572 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.35 C1C(CNC1C(=O)O)O S5820 [0,0,0,1,0,1|2,0,0]=4 74 B9R1.35 C1CC(=O)NC1C(=O)O S5823 [0,0,0,1,0,1|1,0,1]=4 75 B5R0.5 CC(C(=O)O)N S3203 [1,0,0,0,1,0|1,0,0]=3 76 B5R0.5 CC(C(=O)O)N S5631 [1,0,0,0,1,0|1,0,0]=3 77 B5R0.5 CC(C(=O)O)O S6250 [1,0,0,0,1,0|1,0,0]=3 78 B5R0.5 CC(C(=O)[O-])O S4829 [1,0,0,0,1,0|1,0,1]=4 79 B5R0.5 CC(C(=O)[O-])O S5625 [1,0,0,0,1,0|1,0,1]=4 80 B5R0.5 CC(C(=O)[O-])O S6010 [1,0,0,0,1,0|1,0,1]=4