0 B6R0.4 C(CC(=O)O)CN HAA1061 [1,0,0,0,0,0|2,0,0]=3 1 B6R0.6 C(CCN)CCO FAL1003 [1,0,0,0,0,0|1,0,2]=4 2 B8R0.5 C=CCC(CC(=O)O)N HAA2515 [0,1,0,0,0,0|1,0,2]=4 3 B8R0.5 C=CCC(CC(=O)O)N HAA2705 [0,1,0,0,0,0|1,0,2]=4 4 B8R0.5 C=CC[C@@H](CC(=O)O)N HAA8700 [0,1,0,0,0,0|1,0,2]=4 5 B8R0.5 C=CC[C@H](CC(=O)O)N HAA8690 [0,1,0,0,0,0|1,0,2]=4 6 B8R0.5 CCCC(CC(=O)O)N HAA2445 [0,1,0,0,0,0|1,0,0]=2 7 B8R0.5 CCCC(CC(=O)O)N HAA2635 [0,1,0,0,0,0|1,0,0]=2 8 B8R0.7 COCCOCC(=O)O PEG2020 [0,1,0,0,0,0|2,0,0]=3 9 B8R0.8 C(C[C@@H](C(=O)O)N)C#N HAA5700 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.8 C(C[C@@H](C(=O)O)N)CN HAA1115 [0,1,0,0,0,0|2,0,0]=3 11 B8R0.8 C(C[C@H](C(=O)O)N)CN HAA1041 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.8 CCCC[C@@H](C(=O)O)N HAA1113 [0,1,0,0,0,0|1,0,0]=2 13 B8R0.8 CCCC[C@H](C(=O)O)N HAA1039 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.8 CSCC[C@@H](C(=O)N)N HAA6930 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.8 CSCC[C@@H](C(=O)O)N HAA1109 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.8 CSCC[C@H](C(=O)O)N HAA1037 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.28 CC(=O)NCCC(=O)N AAA1906 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.28 CC(=O)NCCC(=O)O AAA1907 [0,1,0,0,0,0|2,0,1]=4 19 B8R1.7 C1C[C@@H](NC1)C(=O)N HAA1047 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.7 C1C[C@@H](NC1)C(=O)O HAA1048 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.7 C1C[C@H](NC1)C(=O)N HAA7160 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.7 C1C[C@H](NC1)C(=O)O HAA1126 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.7 C1[C@H](NCS1)C(=O)O HAA1132 [0,0,0,1,0,0|3,0,0]=4 24 B5R0.1 C(CN)C(=O)N HAA5550 [2,0,0,0,0,0|2,0,0]=4 25 B5R0.1 C(CN)C(=O)O HAA1003 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.1 C(CS)C(=O)O RL-1000 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.1 CNCC(=O)N HAA1581 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.1 CNCC(=O)O HAA1192 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.2 C(CCN)CN HNN1070 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.2 C(CCN)CN HNN1080 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.2 C([C@@H](CO)N)C(=O)O HAA8460 [1,1,0,0,0,0|2,0,0]=4 32 B7R0.2 C([C@H](CO)N)C(=O)O HAA8570 [1,1,0,0,0,0|2,0,0]=4 33 B7R0.5 C(CN)[C@@H](C(=O)O)N HAA1224 [1,1,0,0,0,0|2,0,0]=4 34 B7R0.5 C(CN)[C@H](C(=O)O)N HAA1179 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.5 C(CO)[C@@H](C(=O)O)N HAA1090 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.5 C(CO)[C@H](C(=O)O)N HAA1028 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.5 CCC[C@@H](C(=O)O)N HAA1114 [1,1,0,0,0,0|1,0,0]=3 38 B7R0.5 CCC[C@H](C(=O)O)N HAA1040 [1,1,0,0,0,0|1,0,0]=3 39 B7R0.5 CNC[C@@H](C(=O)O)N HAA1680 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.5 CNC[C@H](C(=O)O)N HAA1685 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.5 CSC[C@@H](C(=O)O)N HAA1078 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.1 COCCOCCBr PEG1131 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.1 COCCOCCBr PEG1132 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.1 COCCOCCBr PEG1133 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.1 COCCOCCBr PEG1134 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.1 COCCOCCBr PEG1135 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.1 COCCOCCO PEG1033 [1,1,0,0,0,0|2,0,0]=4 48 B7R0.1 COCCOCCO PEG1034 [1,1,0,0,0,0|2,0,0]=4 49 B7R0.1 COCCOCCO PEG1035 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.1 COCCOCCO PEG1036 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.1 COCCOCCO PEG1037 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.4 C=CCCC(CC(=O)O)N HAA2440 [0,2,0,0,0,0|1,0,1]=4 53 B9R0.4 C=CCCC(CC(=O)O)N HAA2630 [0,2,0,0,0,0|1,0,1]=4 54 B9R0.4 CCCCC(CC(=O)O)N HAA2450 [0,2,0,0,0,0|1,0,0]=3 55 B9R0.4 CCCCC(CC(=O)O)N HAA2640 [0,2,0,0,0,0|1,0,0]=3 56 B9R0.4 CSCC[C@@H](CC(=O)O)N HAA8540 [0,2,0,0,0,0|1,0,0]=3 57 B9R0.6 CCO[C@@H](C)[C@@H](C(=O)O)N HAA1670 [0,2,0,0,0,0|2,0,0]=4 58 B9R0.6 CCO[C@H](C)[C@H](C(=O)O)N HAA1675 [0,2,0,0,0,0|2,0,0]=4 59 B9R0.23 CC[C@@H](C)[C@@H](CC(=O)O)N HAA8650 [0,2,0,0,0,0|1,0,0]=3 60 B9R0.23 CC[C@H](C)[C@H](CC(=O)O)N HAA8510 [0,2,0,0,0,0|1,0,0]=3 61 B9R0.53 CC(C)CC(CC(=O)O)N HAA2495 [0,2,0,0,0,0|1,0,0]=3 62 B9R0.53 CC(C)CC(CC(=O)O)N HAA2685 [0,2,0,0,0,0|1,0,0]=3 63 B9R0.53 CC(C)C[C@@H](CC(=O)O)N HAA8520 [0,2,0,0,0,0|1,0,0]=3 64 B9R0.53 CC(C)C[C@H](CC(=O)O)N HAA8660 [0,2,0,0,0,0|1,0,0]=3 65 B9R0.1 CC(=O)NCCC(=O)OC AAA1908 [0,2,0,0,0,0|1,0,1]=4 66 B9R0.8 CCCC[C@H](C(=O)OC)N HAA6370 [0,2,0,0,0,0|0,0,0]=2 67 B9R0.8 COC(=O)[C@@H](CCSC)N HAA6360 [0,2,0,0,0,0|1,0,0]=3 68 B9R0.8 COC(=O)[C@H](CCCN)N HAA7000 [0,2,0,0,0,0|1,0,0]=3 69 B9R0.8 COC(=O)[C@H](CCSC)N HAA6950 [0,2,0,0,0,0|1,0,0]=3 70 B9R0.46 CNC(=O)CCCCC=O HL12136 [0,2,0,0,0,0|0,0,1]=3 71 B9R0.46 CNC(=O)CCCCC=O HL12906 [0,2,0,0,0,0|0,0,1]=3 72 B9R0.47 C(CCN)C[C@@H](C(=O)O)N HAA1097 [0,2,0,0,0,0|1,0,0]=3 73 B9R0.47 C(CCN)C[C@H](C(=O)O)N HAA1033 [0,2,0,0,0,0|1,0,0]=3 74 B9R0.47 C(CO)NC[C@@H](C(=O)O)N HAA1700 [0,2,0,0,0,0|2,0,0]=4 75 B9R0.47 C(CO)NC[C@H](C(=O)O)N HAA1705 [0,2,0,0,0,0|2,0,0]=4 76 B9R0.2 C(CCN=[N+]=[N-])CC(=O)O AAA1970 [0,2,0,0,0,0|2,0,0]=4 77 B9R0.2 COCCOCCC(=O)O PEG1630 [0,2,0,0,0,0|1,0,0]=3 78 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HAA2290 [0,2,0,0,0,0|1,0,0]=3 79 B9R0.7 CS(=O)CCC(C(=O)O)N HAA8160 [0,2,0,0,0,0|2,0,0]=4 80 B7R1.4 C1COC(=O)[C@@H]1N HAA1538 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.4 C1COC(=O)[C@H]1N HAA1543 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.4 CN1CCCC1=O SOL-009 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.13 C1C[C@@H](NC1)CC(=O)O HAA8450 [0,1,0,1,0,0|1,0,0]=3 84 B9R1.13 C1C[C@H](NC1)CC(=O)O HAA8560 [0,1,0,1,0,0|1,0,0]=3 85 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O HAA2365 [0,1,0,1,0,0|1,0,0]=3 86 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O HAA2555 [0,1,0,1,0,0|1,0,0]=3 87 B9R1.41 CN1CCC[C@H]1C(=O)O HAA2250 [0,1,0,1,0,0|1,0,0]=3 88 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O HAA1785 [0,1,0,1,0,0|1,0,0]=3 89 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O HAA1780 [0,1,0,1,0,0|1,0,0]=3 90 B9R1.171 C1CC(C1)(CC(=O)O)N HAA2480 [0,1,0,1,0,0|1,0,0]=3 91 B9R1.171 C1CC(C1)(CC(=O)O)N HAA2670 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.11 COC(=O)[C@@H]1CCCN1 HAA1127 [0,1,0,1,0,0|1,0,0]=3 93 B9R1.11 COC(=O)[C@H]1CCCN1 HAA6510 [0,1,0,1,0,0|1,0,0]=3 94 B9R1.6 C1CCN[C@@H](C1)C(=O)O HAA1124 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.6 C1CCN[C@H](C1)C(=O)O HAA6470 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.6 C1COC[C@@H](N1)C(=O)O HAA8720 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.6 C1COC[C@H](N1)C(=O)O HAA1582 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.6 C1CSC[C@@H](N1)C(=O)O HAA8750 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.6 C1CSC[C@H](N1)C(=O)O HAA8730 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O HAA1172 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O HAA1169 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O HAA1159 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O HAA1171 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.163 C1CCC(C1)(C(=O)O)N HAA1555 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.163 C[C@@]1(CCCN1)C(=O)O HAA1561 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.163 C[C@]1(CCCN1)C(=O)O HAA1228 [0,1,0,1,0,0|2,0,0]=4