0 B7R0.9 CC(=O)CC(C)(C)N 7542AF [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 CC(C)(N)CC(=O)O W7151 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.9 CS(=O)(=O)CC(N)=O 5300AJ [0,0,0,0,0,0|4,0,0]=4 3 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [1,0,0,0,0,0|2,0,0]=3 4 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [1,0,0,0,0,0|3,0,0]=4 5 B6R0.2 CN(C)CC(=O)[O-] 9593AA [1,0,0,0,0,0|0,0,1]=2 6 B6R0.2 CN(C)NC(N)=O 4373AL [1,0,0,0,0,0|2,0,1]=4 7 B6R0.2 C[C@H](Br)CC(=O)O V0016 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.5 C=CCC(C)(C)C 6312AL [1,0,0,0,0,0|2,0,0]=3 9 B6R0.5 C=COC(C)(C)C 9102AJ [1,0,0,0,0,0|3,0,0]=4 10 B6R0.5 CC(C)(C)CC#N X4017 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.5 CNCC(C)(C)C 0063AE [1,0,0,0,0,0|3,0,0]=4 12 B6R0.5 C[N+](C)(C)CCO 2907AC [1,0,0,0,0,0|0,0,2]=3 13 B8R0.24 CC(C)(C)NC(=O)CN 8528AE [0,1,0,0,0,0|3,0,0]=4 14 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O X9026 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.27 CC(C)(C)[C@H](N)C(=O)O V9295 [0,1,0,0,0,0|1,0,1]=3 16 B8R0.27 CC(C)(O)C(N)C(=O)O 5433AJ [0,1,0,0,0,0|2,0,1]=4 17 B8R0.34 CSC(C)(C)CC(C)=O U806 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.51 CC1(C)CC(=O)CS1 3715AB [0,0,0,1,0,0|3,0,0]=4 19 B8R1.51 CC1(C)CCC(=O)C1 V4062 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.51 CC1(C)CNC(=O)O1 2855AL [0,0,0,1,0,0|3,0,0]=4 21 B8R1.51 CC1(C)COC(=O)C1 2579AL [0,0,0,1,0,0|1,0,1]=3 22 B8R1.77 CC1(C)CC1C(N)=O 5881AD [0,0,0,1,0,0|2,0,0]=3 23 B6R0.7 CC(=O)C(C)(C)Br Y1567 [0,0,0,0,1,0|3,0,0]=4 24 B6R0.7 CC(=O)C(C)(C)O X0229 [0,0,0,0,1,0|3,0,0]=4 25 B6R0.7 CC(C)(C)S(=O)Cl 0001AE [0,0,0,0,1,0|3,0,0]=4 26 B6R0.7 CC(C)(C)[S@@]([O-])=S X2035 [0,0,0,0,1,0|2,1,0]=4 27 B6R0.7 CC(C)(Cl)C(=O)O 8852AB [0,0,0,0,1,0|2,0,1]=4 28 B6R0.7 CC(C)(N)C(N)=O 5907AD [0,0,0,0,1,0|3,0,0]=4 29 B8R0.29 CC(C)(C)CCC(=O)O 8824AC [0,0,0,0,0,1|1,0,1]=3 30 B8R0.29 CC(C)(N)CCC(=O)O 0201AE [0,0,0,0,0,1|2,0,1]=4 31 B8R0.29 CC(C)(N)CNC(N)=O 1059AL [0,0,0,0,0,1|3,0,0]=4 32 B5R0.1 C=CCC(C)C 6595AL [2,0,0,0,0,0|2,0,0]=4 33 B5R0.1 CNCC(C)=O 4565AF [2,0,0,0,0,0|1,0,1]=4 34 B5R0.1 N#CCC(=O)[O-] 7007AF [2,0,0,0,0,0|2,0,0]=4 35 B7R0.2 CCN(C)CC(C)=O 9608AC [1,1,0,0,0,0|1,0,1]=4 36 B7R0.2 CN(C)CC(=O)NN E002 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.2 CN(C)CC(=O)NN W6825 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.2 COC(C)CC(=O)O 0132AA [1,1,0,0,0,0|1,0,1]=4 39 B7R0.16 CC(C(=O)O)N(C)C 5353AD [1,1,0,0,0,0|0,0,2]=4 40 B7R0.16 CC(C)C(=O)C(=O)[O-] 4739AB [1,1,0,0,0,0|1,0,1]=4 41 B7R0.16 CC(C)C(F)C(=O)O W3426 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.13 CC(C)(CN)C(=O)O 9909AA [0,1,0,0,1,0|1,0,1]=4 43 B7R0.13 COC(C)(C)C(C)=O X6059 [0,1,0,0,1,0|2,0,0]=4 44 B9R0.10 CC(=O)CC(=O)C(C)(C)C 1341AC [0,1,0,0,0,1|2,0,0]=4 45 B9R0.10 CC(C)(C)C(N)CC(=O)O 0472AB [0,1,0,0,0,1|1,0,1]=4 46 B9R0.57 CC(C)(C)CC(N)C(=O)O X5326 [0,1,0,0,0,1|1,0,1]=4 47 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C 3788AH [0,2,0,0,0,0|2,0,0]=4 48 B9R0.25 COC(=O)[C@H](N)C(C)(C)C 9567AB [0,2,0,0,0,0|1,0,1]=4 49 B9R0.32 COC(C)(C)C(Br)C(=O)O 1051AQ [0,2,0,0,0,0|1,0,1]=4 50 B9R0.80 CC(C)(C)C(C)(N)C(=O)O V8732 [0,2,0,0,0,0|1,0,1]=4 51 B7R1.2 CC1CNC(=O)C1 X7991 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.66 CC1(C)CC(=O)CCN1 1326AJ [0,1,0,1,0,0|2,0,0]=4 53 B9R2.143 O=C(O)C1CC12CC2 8844AA [0,0,0,2,0,0|1,0,1]=4 54 B5R0.5 CC(=O)C(=O)[O-] 7017AF [1,0,0,0,1,0|2,0,0]=4 55 B5R0.5 CC(=O)C(=O)[O-] 7018AF [1,0,0,0,1,0|2,0,0]=4 56 B7R0.6 CC(=O)CCN(C)C 8474AD [1,0,0,0,0,1|1,0,1]=4 57 B9R0.56 CC(=O)OCC[N+](C)(C)C 7814AF [0,0,0,0,0,2|1,0,0]=3 58 B9R0.56 CC(=O)OCC[N+](C)(C)C X7331 [0,0,0,0,0,2|1,0,0]=3 59 B9R0.56 CC(=O)SCC[N+](C)(C)C 7815AF [0,0,0,0,0,2|1,0,0]=3