0 B9R1.35 C1C(CNC1C(=O)O)O S5820 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 C1CC(=O)NC1C(=O)O S5823 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.1 CCC1CCC(=O)O1 S6265 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.7 C1=CNC(=C1)C(=O)O S5832 [1,0,0,0,0,0|0,0,3]=4 4 B8R1.7 C1C(NCS1)C(=O)O S4993 [1,0,0,0,0,0|1,0,1]=3 5 B8R1.7 C1CC(NC1)C(=O)O S5629 [1,0,0,0,0,0|0,0,1]=2 6 B8R1.7 C1CC(NC1)C(=O)O S6016 [1,0,0,0,0,0|0,0,1]=2 7 B8R0.8 C(CC(C(=O)O)N)CN S4653 [0,0,1,0,0,0|1,0,1]=3 8 B8R0.8 C(CC(C(=O)O)N)CN S4653 [0,0,1,0,0,0|1,0,1]=3 9 B8R0.8 CCCCC(C)C(=O)O S6079 [0,0,1,0,0,0|2,0,1]=4 10 B8R0.8 CSCCC(C(=O)O)N S5633 [0,0,1,0,0,0|2,0,0]=3 11 B8R0.8 CSCCC(C(=O)O)N S9344 [0,0,1,0,0,0|2,0,0]=3 12 B8R0.8 C[Se]CCC(C(=O)O)N S3973 [0,0,1,0,0,0|2,0,0]=3 13 B8R0.9 C(C(=O)NCC(=O)O)N S4810 [0,0,1,0,0,0|1,0,0]=2 14 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [0,0,1,0,0,0|2,0,0]=3 15 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [0,0,1,0,0,0|2,0,0]=3 16 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [0,0,1,0,0,0|2,0,0]=3 17 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [0,0,1,0,0,0|2,0,0]=3 18 B8R0.23 C(C(C(=O)O)N)C(=O)N S4950 [0,0,1,0,0,0|3,0,0]=4 19 B8R0.23 C(C(C(=O)O)N)C(=O)N S5571 [0,0,1,0,0,0|3,0,0]=4 20 B8R0.23 C(C(C(=O)O)N)C(=O)O S5129 [0,0,1,0,0,0|3,0,0]=4 21 B8R0.23 C(C(C(=O)O)N)C(=O)O S5632 [0,0,1,0,0,0|3,0,0]=4 22 B8R0.23 C(C(C(=O)O)O)C(=O)O S6292 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.23 C(C(C(=O)O)O)C(=O)O S9001 [0,0,1,0,0,0|3,0,0]=4 24 B8R0.23 CC(CC(=O)O)C(=O)O S6356 [0,0,1,0,0,0|2,0,0]=3 25 B8R0.28 C(CNC(=O)N)C(=O)O S6143 [0,0,1,0,0,0|1,0,0]=2 26 B8R0.28 C(CNC(=O)N)C(=O)O S6143 [0,0,1,0,0,0|1,0,0]=2 27 B10R1.13 C1=CC(=O)NC=C1C(=O)O S6285 [0,0,0,0,0,1|0,0,3]=4 28 B10R1.13 C1CC(CCC1C(=O)O)O S6069 [0,0,0,0,0,1|1,0,2]=4 29 B10R1.113 CC1=NCCC(N1)C(=O)O S5591 [0,0,0,0,0,1|1,0,0]=2 30 B7R0.5 CC(CC=C)C(=O)O S6167 [1,0,1,0,0,0|1,0,1]=4 31 B7R0.5 CCCC(C(=O)O)N S6334 [1,0,1,0,0,0|0,0,1]=3 32 B7R0.5 CSCC(C(=O)O)N S4786 [1,0,1,0,0,0|1,0,1]=4 33 B7R0.6 C(CC(=O)O)C(=O)O S3791 [1,0,1,0,0,0|2,0,0]=4 34 B7R0.6 CC(=O)CCC(=O)O S6207 [1,0,1,0,0,0|1,0,0]=3 35 B7R0.15 CCC(CC)C(=O)O S6057 [1,0,1,0,0,0|1,0,1]=4 36 B7R1.2 C1CC(=O)OC1=O S0586 [2,0,0,0,0,0|1,0,1]=4 37 B9R0.7 C(CC(=O)N)C(C(=O)O)N S1749 [0,1,1,0,0,0|0,0,0]=2 38 B9R0.7 C(CC(=O)N)C(C(=O)O)N S1893 [0,1,1,0,0,0|0,0,0]=2 39 B9R0.7 C(CC(=O)N)C(C(=O)O)N S1893 [0,1,1,0,0,0|0,0,0]=2 40 B9R0.7 C(CC(=O)N)C(C(=O)O)N S3963 [0,1,1,0,0,0|0,0,0]=2 41 B9R0.7 C(CC(=O)O)C(=O)C(=O)O S6237 [0,1,1,0,0,0|1,0,1]=4 42 B9R0.7 C(CC(=O)O)C(=O)C(=O)O S6237 [0,1,1,0,0,0|1,0,1]=4 43 B9R0.7 C(CC(=O)O)C(C(=O)O)N S6266 [0,1,1,0,0,0|0,0,0]=2 44 B9R0.7 C(CC(=O)O)C(C(=O)[O-])N S4721 [0,1,1,0,0,0|0,0,1]=3 45 B9R0.7 C(CC(=O)O)C(C(=O)[O-])N S4721 [0,1,1,0,0,0|0,0,1]=3 46 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O S7873 [0,1,1,0,0,0|1,0,1]=4 47 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O S7873 [0,1,1,0,0,0|1,0,1]=4 48 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O S7873 [0,1,1,0,0,0|1,0,1]=4 49 B9R0.7 CC(=O)OCC(C(=O)O)N S6144 [0,1,1,0,0,0|1,0,0]=3 50 B9R0.7 CC(=O)OCC(C(=O)O)N S6144 [0,1,1,0,0,0|1,0,0]=3 51 B9R0.7 CC(CCC(=O)O)C(=O)O S6110 [0,1,1,0,0,0|1,0,0]=3 52 B9R0.7 C[S+](C)CCC(C(=O)O)N S4811 [0,1,1,0,0,0|2,0,0]=4 53 B9R0.47 C(CCN)CC(C(=O)O)N S3953 [0,1,1,0,0,0|1,0,1]=4 54 B9R0.47 C(CCN)CC(C(=O)O)N S5630 [0,1,1,0,0,0|1,0,1]=4 55 B9R0.47 C=CCSCC(C(=O)O)N S4791 [0,1,1,0,0,0|1,0,0]=3 56 B9R0.24 COC(=O)CCC(=O)CN S5372 [0,1,1,0,0,0|2,0,0]=4 57 B9R0.39 CC(=O)NC(CS)C(=O)N S5804 [0,1,1,0,0,0|2,0,0]=4 58 B9R0.39 CC(=O)NC(CS)C(=O)N S5804 [0,1,1,0,0,0|2,0,0]=4 59 B9R0.39 CC(=O)NC(CS)C(=O)O S1623 [0,1,1,0,0,0|1,0,0]=3 60 B9R0.39 CC(=O)NC(CS)C(=O)O S1623 [0,1,1,0,0,0|1,0,0]=3 61 B9R0.39 CC(=O)NC(CS)C(=O)O S1623 [0,1,1,0,0,0|1,0,0]=3 62 B9R0.39 CC(=O)NC(CS)C(=O)O S1623 [0,1,1,0,0,0|1,0,0]=3 63 B9R0.39 CNC(CC(=O)O)C(=O)O S7072 [0,1,1,0,0,0|2,0,0]=4 64 B9R0.39 CNC(CC(=O)O)C(=O)O S7072 [0,1,1,0,0,0|2,0,0]=4 65 B9R0.1 COC(=O)CCCC(=O)O S6072 [0,1,1,0,0,0|1,0,0]=3 66 B9R0.53 C(C(=O)CC(=O)O)C(=O)O S6048 [0,1,1,0,0,0|1,0,1]=4 67 B11R1.74 C1C(NC(=O)NC1=O)C(=O)O S6111 [0,1,0,0,0,1|0,0,1]=3 68 B9R1.6 C1CCNC(C1)C(=O)O S6302 [0,0,1,1,0,0|1,0,1]=4 69 B9R1.6 C1CCNC(C1)C(=O)O S6322 [0,0,1,1,0,0|1,0,1]=4 70 B7R0.16 C(C(=O)O)(C(=O)O)N S6129 [0,0,1,0,1,0|2,0,0]=4 71 B7R0.16 C(C(=O)O)(C(=O)O)N S6129 [0,0,1,0,1,0|2,0,0]=4 72 B7R0.16 CC(C(=O)O)C(=O)O S3683 [0,0,1,0,1,0|1,0,0]=3 73 B7R1.18 C1CNC1C(=O)O S5572 [1,0,0,0,1,0|0,0,0]=2 74 B9R0.55 C(C=CCC(=O)O)C(=O)O S6171 [0,0,1,0,0,1|1,0,1]=4 75 B9R0.55 C(CC(=O)O)CN=C(N)N S6137 [0,0,1,0,0,1|1,0,0]=3