0 B8R0.8 C(CC(C(=O)O)N)CN S4653 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.8 C(CC(C(=O)O)N)CN S4653 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.8 CCCCC(C)C(=O)O S6079 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.8 CSCCC(C(=O)O)N S5633 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.8 CSCCC(C(=O)O)N S9344 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.8 C[Se]CCC(C(=O)O)N S3973 [0,0,0,0,0,0|0,1,0]=1 6 B7R0.5 CC(CC=C)C(=O)O S6167 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.5 CCC=C(C)C(=O)O S6327 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.5 CCCC(C(=O)O)N S6334 [1,0,0,0,0,0|0,0,0]=1 9 B7R0.5 CSCC(C(=O)O)N S4786 [1,0,0,0,0,0|0,0,0]=1 10 B9R0.7 C(CC(=O)N)C(C(=O)O)N S1749 [0,1,0,0,0,0|2,0,0]=3 11 B9R0.7 C(CC(=O)N)C(C(=O)O)N S1893 [0,1,0,0,0,0|2,0,0]=3 12 B9R0.7 C(CC(=O)N)C(C(=O)O)N S1893 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.7 C(CC(=O)N)C(C(=O)O)N S3963 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.7 C(CC(=O)O)C(C(=O)O)N S6266 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.7 C(CC(=O)O)C(C(=O)[O-])N S4721 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.7 C(CC(=O)O)C(C(=O)[O-])N S4721 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.7 CC(=O)OCC(C(=O)O)N S6144 [0,1,0,0,0,0|2,0,0]=3 18 B9R0.7 CC(=O)OCC(C(=O)O)N S6144 [0,1,0,0,0,0|2,0,0]=3 19 B9R0.7 CC(CCC(=O)O)C(=O)O S6110 [0,1,0,0,0,0|3,0,0]=4 20 B9R0.7 C[S+](C)CCC(C(=O)O)N S4811 [0,1,0,0,0,0|0,0,1]=2 21 B9R0.47 C(CCN)CC(C(=O)O)N S3953 [0,1,0,0,0,0|1,0,0]=2 22 B9R0.47 C(CCN)CC(C(=O)O)N S5630 [0,1,0,0,0,0|1,0,0]=2 23 B9R0.47 C=CCSCC(C(=O)O)N S4791 [0,1,0,0,0,0|1,0,1]=3 24 B9R0.47 CCCCCC(C)C(=O)O S6099 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.6 C1CCC(CC1)C(=O)O S6279 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.6 C1CCNC(C1)C(=O)O S6302 [0,0,0,1,0,0|1,0,0]=2 27 B9R1.6 C1CCNC(C1)C(=O)O S6322 [0,0,0,1,0,0|1,0,0]=2 28 B9R1.6 C1CNCCC1C(=O)O S5612 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.35 C1CC(=O)NC1C(=O)O S5823 [0,0,0,1,0,0|2,0,0]=3 30 B6R0.4 C(CC(=O)O)CN S4700 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.4 C(CC(=O)O)CN S4700 [2,0,0,0,0,0|1,0,0]=3 32 B6R0.4 C=CCCC(=O)O S6268 [2,0,0,0,0,0|0,0,2]=4 33 B6R0.4 CSCCC(=O)O S6341 [2,0,0,0,0,0|0,0,0]=2 34 B6R0.3 C(C(C(=O)O)N)O S5545 [2,0,0,0,0,0|0,1,0]=3 35 B6R0.3 C(C(C(=O)O)N)O S6224 [2,0,0,0,0,0|0,1,0]=3 36 B6R0.3 C(C(C(=O)O)N)O S9353 [2,0,0,0,0,0|0,1,0]=3 37 B6R0.3 C(C(C(=O)O)N)S S4815 [2,0,0,0,0,0|0,0,0]=2 38 B6R0.3 C(C(C(=O)O)N)S S5635 [2,0,0,0,0,0|0,0,0]=2 39 B6R0.3 CC(CN)C(=O)O S6134 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.3 CCC(=O)C(=O)O S6329 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.3 CCC(C(=O)O)N S6203 [2,0,0,0,0,0|0,0,0]=2 42 B6R0.3 CCC(C(=O)O)N S6330 [2,0,0,0,0,0|0,0,0]=2 43 B6R0.3 CCC(C(=O)O)O S6119 [2,0,0,0,0,0|1,0,0]=3 44 B8R0.7 C(CCC(=O)O)CCN S1671 [1,1,0,0,0,0|1,0,0]=3 45 B8R0.7 C(CCC(=O)O)CCN S1671 [1,1,0,0,0,0|1,0,0]=3 46 B8R0.7 C(CCC(=O)O)CCN S1671 [1,1,0,0,0,0|1,0,0]=3 47 B8R0.7 C(COCCN)C(=O)O S1872 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.2 CCC(C)C(C(=O)O)N S3752 [1,1,0,0,0,0|0,0,0]=2 49 B8R0.23 C(C(C(=O)O)N)C(=O)N S4950 [1,1,0,0,0,0|0,1,1]=4 50 B8R0.23 C(C(C(=O)O)N)C(=O)N S5571 [1,1,0,0,0,0|0,1,1]=4 51 B8R0.23 C(C(C(=O)O)N)C(=O)O S5129 [1,1,0,0,0,0|0,1,1]=4 52 B8R0.23 C(C(C(=O)O)N)C(=O)O S5632 [1,1,0,0,0,0|0,1,1]=4 53 B8R0.23 CC(C)CC(C(=O)O)N S3753 [1,1,0,0,0,0|0,0,0]=2 54 B8R0.23 CC(C)CC(C(=O)O)O S6046 [1,1,0,0,0,0|1,0,0]=3 55 B10R0.26 C=CCS(=O)CC(C(=O)O)N S9397 [0,2,0,0,0,0|1,0,1]=4 56 B10R0.75 C(CO)CSCC(C(=O)O)N S2129 [0,2,0,0,0,0|1,0,0]=3 57 B10R0.75 CCCCCCC(C(=O)O)O S5436 [0,2,0,0,0,0|2,0,0]=4 58 B10R0.98 C(C(C(=O)O)N)SCC(=O)O S5216 [0,2,0,0,0,0|2,0,0]=4 59 B10R0.98 C(CC(C(=O)O)N)CC(=O)O S5442 [0,2,0,0,0,0|1,0,1]=4 60 B8R1.7 C1C(NCS1)C(=O)O S4993 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.7 C1CC(NC1)C(=O)O S5629 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.7 C1CC(NC1)C(=O)O S6016 [1,0,0,1,0,0|2,0,0]=4 63 B10R1.18 C1CCC(CC1)CC(=O)O S6022 [0,0,0,1,0,1|2,0,0]=4 64 B10R1.13 C1CC(CCC1C(=O)O)O S6069 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.15 COC(=O)C1CCCCC1 S6299 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.113 CC1=NCCC(N1)C(=O)O S5591 [0,1,0,1,0,0|1,0,0]=3 67 B10R0.78 CCCCC(C)CCC(=O)O S6029 [0,0,0,0,0,2|2,0,0]=4