0 B9R0.47 C#CCOC[C@@H](C(=O)O)N HAA2355 [0,0,0,0,0,0|0,1,2]=3 1 B9R0.47 C#CCSC[C@@H](C(=O)O)N HAA2350 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.47 C(CCN)C[C@@H](C(=O)O)N HAA1097 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.47 C(CCN)C[C@H](C(=O)O)N HAA1033 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.47 C(CN=[N+]=[N-])[C@@H](C(=O)O)N HAA5730 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.47 C(CN=[N+]=[N-])[C@H](C(=O)O)N HAA1630 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.47 C(CO)NC[C@@H](C(=O)O)N HAA1700 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.47 C(CO)NC[C@H](C(=O)O)N HAA1705 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.8 C(C[C@@H](C(=O)O)N)C#N HAA5700 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.8 C(C[C@@H](C(=O)O)N)CN HAA1115 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.8 C(C[C@H](C(=O)O)N)CN HAA1041 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.8 C([C@@H](C(=O)O)N)N=[N+]=[N-] HAA1880 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.8 C([C@H](C(=O)O)N)N=[N+]=[N-] HAA1885 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.8 CCCC[C@@H](C(=O)O)N HAA1113 [1,0,0,0,0,0|0,0,2]=3 14 B8R0.8 CCCC[C@H](C(=O)O)N HAA1039 [1,0,0,0,0,0|0,0,2]=3 15 B8R0.8 CSCC[C@@H](C(=O)N)N HAA6930 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.8 CSCC[C@@H](C(=O)O)N HAA1109 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.8 CSCC[C@H](C(=O)O)N HAA1037 [1,0,0,0,0,0|1,0,1]=3 18 B10R0.75 C(CC[C@@H](C(=O)O)N)CCN HAA1509 [0,1,0,0,0,0|1,0,2]=4 19 B10R0.75 C(C[C@@H](C(=O)O)N)CN=[N+]=[N-] HAA1620 [0,1,0,0,0,0|3,0,0]=4 20 B10R0.75 C(C[C@H](C(=O)O)N)CN=[N+]=[N-] HAA1895 [0,1,0,0,0,0|3,0,0]=4 21 B10R0.75 CCCCCC[C@@H](C(=O)O)N HAA5720 [0,1,0,0,0,0|1,0,2]=4 22 B10R0.75 CCCCCC[C@H](C(=O)O)N HAA5710 [0,1,0,0,0,0|1,0,2]=4 23 B10R0.83 COC(=O)[C@H](CCCCN)N HAA6910 [0,1,0,0,0,0|2,0,1]=4 24 B10R0.98 C(C[C@@H](C(=O)O)N)CC(=O)O HAA1089 [0,1,0,0,0,0|2,0,0]=3 25 B10R0.98 C([C@@H](C(=O)O)N)SCC(=O)O HAA1077 [0,1,0,0,0,0|1,0,0]=2 26 B10R0.98 CC(=O)NCC[C@@H](C(=O)O)N HAA1985 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N HAA1076 [0,0,0,1,0,0|1,0,2]=4 28 B10R1.23 C1CCC(C1)[C@H](C(=O)O)N HAA1016 [0,0,0,1,0,0|1,0,2]=4 29 B10R1.363 C1CCC(CC1)(C(=O)O)N HAA1554 [0,0,0,1,0,0|1,0,2]=4 30 B10R0.6 C(CCN)C[C@@H](CC(=O)O)N HAA8530 [0,0,0,0,0,1|2,0,1]=4 31 B10R0.6 C(CCN)C[C@H](CC(=O)O)N HAA8670 [0,0,0,0,0,1|2,0,1]=4 32 B10R0.6 CCCCCC(CC(=O)O)N HAA2455 [0,0,0,0,0,1|1,0,2]=4 33 B10R0.6 CCCCCC(CC(=O)O)N HAA2645 [0,0,0,0,0,1|1,0,2]=4 34 B7R0.5 C#CC[C@@H](C(=O)O)N HAA7150 [2,0,0,0,0,0|0,0,2]=4 35 B7R0.5 C#CC[C@@H](C(=O)O)N HAA7151 [2,0,0,0,0,0|0,0,2]=4 36 B7R0.5 C#CC[C@H](C(=O)O)N HAA6490 [2,0,0,0,0,0|0,0,2]=4 37 B7R0.5 C(C#N)[C@@H](C(=O)O)N HAA5740 [2,0,0,0,0,0|1,0,1]=4 38 B7R0.5 C(CN)[C@@H](C(=O)O)N HAA1224 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.5 C(CN)[C@H](C(=O)O)N HAA1179 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.5 C(CO)[C@@H](C(=O)O)N HAA1090 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.5 C(CO)[C@H](C(=O)O)N HAA1028 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.5 C=CC[C@@H](C(=O)O)N HAA7320 [2,0,0,0,0,0|0,0,0]=2 43 B7R0.5 C=CC[C@H](C(=O)O)N HAA7260 [2,0,0,0,0,0|0,0,0]=2 44 B7R0.5 CCC[C@@H](C(=O)O)N HAA1114 [2,0,0,0,0,0|0,0,1]=3 45 B7R0.5 CCC[C@H](C(=O)O)N HAA1040 [2,0,0,0,0,0|0,0,1]=3 46 B7R0.5 CNC[C@@H](C(=O)O)N HAA1680 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.5 CNC[C@H](C(=O)O)N HAA1685 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.5 CSC[C@@H](C(=O)O)N HAA1078 [2,0,0,0,0,0|0,0,0]=2 49 B9R0.4 C=CCCC(CC(=O)O)N HAA2440 [1,1,0,0,0,0|1,0,0]=3 50 B9R0.4 C=CCCC(CC(=O)O)N HAA2630 [1,1,0,0,0,0|1,0,0]=3 51 B9R0.6 CCO[C@@H](C)[C@@H](C(=O)O)N HAA1670 [1,1,0,0,0,0|0,1,1]=4 52 B9R0.6 CCO[C@H](C)[C@H](C(=O)O)N HAA1675 [1,1,0,0,0,0|0,1,1]=4 53 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N HAA1083 [1,1,0,0,0,0|1,0,0]=3 54 B9R0.7 C(CC(=O)N)[C@H](C(=O)O)N HAA1021 [1,1,0,0,0,0|1,0,0]=3 55 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N HAA1087 [1,1,0,0,0,0|1,0,0]=3 56 B9R0.7 C([C@@H](C(=O)O)N)NC(=O)N HAA8150 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HAA2290 [1,1,0,0,0,0|0,0,2]=4 58 B9R0.7 CS(=O)CCC(C(=O)O)N HAA8160 [1,1,0,0,0,0|1,0,1]=4 59 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=N)N HAA1068 [0,2,0,0,0,0|2,0,0]=4 60 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=N)N HAA1069 [0,2,0,0,0,0|2,0,0]=4 61 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=O)N HAA1074 [0,2,0,0,0,0|2,0,0]=4 62 B11R0.29 C(C[C@H](C(=O)O)N)CNC(=N)N HAA1008 [0,2,0,0,0,0|2,0,0]=4 63 B11R0.29 C(C[C@H](C(=O)O)N)CNC(=N)N HAA1009 [0,2,0,0,0,0|2,0,0]=4 64 B11R0.29 C(C[C@H](C(=O)O)N)CNC(=O)N HAA1014 [0,2,0,0,0,0|2,0,0]=4 65 B11R0.29 CC(=O)NCSC[C@@H](C(=O)O)N HAA6070 [0,2,0,0,0,0|0,0,1]=3 66 B9R1.6 C1CSC[C@@H](N1)C(=O)O HAA8750 [1,0,0,1,0,0|1,0,1]=4 67 B9R1.6 C1CSC[C@H](N1)C(=O)O HAA8730 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.35 C1C(N=C(S1)N)C(=O)O HAA5890 [1,0,0,1,0,0|1,0,1]=4 69 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O HAA1189 [1,0,0,1,0,0|1,0,0]=3 70 B9R1.35 C1CC(=O)N[C@H]1C(=O)O HAA1049 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.163 C1CCC(C1)(C(=O)O)N HAA1555 [1,0,0,1,0,0|0,0,2]=4 72 B11R1.35 c1c(nc[nH]1)C[C@@H](C(=O)O)N HAA1088 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.35 c1c(nc[nH]1)C[C@H](C(=O)O)N HAA1026 [0,1,0,1,0,0|2,0,0]=4 74 B11R1.35 c1cc(oc1)C[C@@H](C(=O)O)N HAA2930 [0,1,0,1,0,0|0,1,1]=4 75 B11R1.35 c1cn(cn1)C[C@@H](C(=O)O)N HAA1720 [0,1,0,1,0,0|1,0,1]=4 76 B11R1.35 c1cn(cn1)C[C@H](C(=O)O)N HAA1725 [0,1,0,1,0,0|1,0,1]=4