0 B6R0.2 B(CC(C)C)(O)O 8277 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 CC(=CC(=O)O)C 9276 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CN(C)CC(=O)O 5083 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.1 C(C#N)C(=O)N 6851 [1,0,0,0,0,0|2,0,0]=3 4 B5R0.1 C(C#N)C(=S)N 10106 [1,0,0,0,0,0|2,1,0]=4 5 B5R0.1 CN(C)CCCl 5994 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.2 C(C(CN)O)C(=O)O 8603 [0,1,0,0,0,0|3,0,0]=4 7 B7R0.2 CN(C)CC(CO)O 8841 [0,1,0,0,0,0|1,0,2]=4 8 B7R0.2 C[C@H](CC(=O)OC)O 6807 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.9 CC(=O)OC(C)(C)C 6849 [0,1,0,0,0,0|3,0,0]=4 10 B7R0.9 CC(C)(C)OC(=O)N 6675 [0,1,0,0,0,0|2,0,0]=3 11 B7R0.9 CC(C)(CC(=O)O)N 6592 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.16 CN(C)C(=O)C(=O)O 8405 [0,1,0,0,0,0|1,0,1]=3 13 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 6845 [0,1,0,0,0,0|3,0,0]=4 14 B7R1.2 C1CC(=O)CC1=O 5093 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.2 CC1=CC(=O)NO1 9631 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.2 CN1C=CC(=N1)N 6616 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.2 CN1C=CC(=N1)N 9450 [0,0,0,1,0,0|2,0,1]=4 18 B7R1.20 C1CC1CC(=O)O 6163 [0,0,0,1,0,0|2,0,0]=3 19 B5R0.5 C[C@@H](C(=O)O)N 5042 [0,0,0,0,1,0|3,0,0]=4 20 B5R0.5 C[C@@H](C(=O)O)N 5087 [0,0,0,0,1,0|3,0,0]=4 21 B7R0.6 CC(=O)CCC(=O)O 6824 [0,0,0,0,0,1|3,0,0]=4 22 B4R0.1 C(=NN)(N)N 8253 [2,0,0,0,0,0|2,0,0]=4 23 B4R0.1 C(=O)(N)NN 5932 [2,0,0,0,0,0|1,0,0]=3 24 B4R0.1 C(=O)(N)NO 10448 [2,0,0,0,0,0|1,0,0]=3 25 B4R0.1 C(C(=O)N)Br 9173 [2,0,0,0,0,0|1,0,0]=3 26 B4R0.1 C(C(=O)N)Cl 6815 [2,0,0,0,0,0|1,0,0]=3 27 B4R0.1 C(C(=O)N)N 5258 [2,0,0,0,0,0|0,0,0]=2 28 B4R0.1 C(C(=O)O)Cl 8290 [2,0,0,0,0,0|2,0,0]=4 29 B4R0.1 C(C(=O)O)O G0026 [2,0,0,0,0,0|2,0,0]=4 30 B4R0.1 CCC(=O)N 8889 [2,0,0,0,0,0|0,0,0]=2 31 B4R0.1 CCS(=O)[O-] 8969 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.1 CCCC(=O)NN 9684 [1,1,0,0,0,0|1,0,0]=3 33 B6R0.1 CCOC(=O)CN 10010 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.4 C(CC(=O)O)CN 6222 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.4 CCCCC(=O)C 9447 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.4 CN(C)CCCCl 5846 [1,1,0,0,0,0|1,0,1]=4 37 B6R0.7 CC(C)(C(=O)O)F 5038 [0,1,0,0,1,0|2,0,0]=4 38 B6R0.7 CC(C)(C)C(=N)N 8301 [0,1,0,0,1,0|2,0,0]=4 39 B6R0.7 CC(C)(C)S(=O)N 10247 [0,1,0,0,1,0|2,0,0]=4 40 B6R0.7 CN(C)S(=O)(=O)Cl 8854 [0,1,0,0,1,0|2,0,0]=4 41 B8R0.23 CC(C)CC(C(=O)O)N 5503 [0,1,0,0,0,1|2,0,0]=4 42 B8R0.23 CC(C)C[C@@H](C(=O)O)N 10688 [0,1,0,0,0,1|2,0,0]=4 43 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N 9707 [0,2,0,0,0,0|2,0,0]=4 44 B8R0.16 CC(=O)CC(OC)OC 8052 [0,2,0,0,0,0|2,0,0]=4 45 B8R0.24 CC(C)(C)OC(=O)CN 5504 [0,2,0,0,0,0|2,0,0]=4 46 B6R1.2 C1CC(=O)NC1 P0006 [1,0,0,1,0,0|1,0,0]=3 47 B6R1.2 C1CC(=O)OC1 8838 [1,0,0,1,0,0|2,0,0]=4 48 B6R1.2 C1CCC(=O)C1 9600 [1,0,0,1,0,0|2,0,0]=4 49 B6R1.2 C1CNC(=O)N1 6785 [1,0,0,1,0,0|2,0,0]=4 50 B6R1.11 C1CC1C(=N)N 9380 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.3 CN1CCC(=O)CC1 6766 [0,0,0,1,0,1|1,0,0]=3 52 B8R1.3 CN1CCC(=O)CC1 M0015 [0,0,0,1,0,1|1,0,0]=3 53 B8R1.4 C1CNC(=O)CC1=O 9532 [0,1,0,1,0,0|2,0,0]=4