0 B9R1.6 C1CCN[C@@H](C1)C(=O)O HAA1124 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.6 C1CCN[C@H](C1)C(=O)O HAA6470 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.6 C1COC[C@@H](N1)C(=O)O HAA8720 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 C1COC[C@H](N1)C(=O)O HAA1582 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 C1CSC[C@@H](N1)C(=O)O HAA8750 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 C1CSC[C@H](N1)C(=O)O HAA8730 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 COC(=O)C1CCNCC1 HAA1611 [0,1,0,0,0,0|1,0,0]=2 7 B10R1.61 C1C=CC[C@@H]([C@@H]1C(=O)O)N HAA2425 [0,1,0,0,0,0|0,0,2]=3 8 B10R1.61 C1C=CC[C@H]([C@H]1C(=O)O)N HAA2615 [0,1,0,0,0,0|0,0,2]=3 9 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)O)N HAA2415 [0,1,0,0,0,0|0,0,0]=1 10 B10R1.61 C1CC[C@H]([C@H](C1)C(=O)O)N HAA2605 [0,1,0,0,0,0|0,0,0]=1 11 B10R1.61 C1C[C@@H]([C@@H](C=C1)N)C(=O)O HAA2620 [0,1,0,0,0,0|0,0,2]=3 12 B10R1.61 C1C[C@H]([C@H](C=C1)N)C(=O)O HAA2430 [0,1,0,0,0,0|0,0,2]=3 13 B10R1.113 C1C[C@H](C[C@H](C1)N)C(=O)O HAA5220 [0,1,0,0,0,0|0,0,0]=1 14 B10R1.363 C1CCC(CC1)(C(=O)O)N HAA1554 [0,1,0,0,0,0|0,0,0]=1 15 B8R0.7 COCCOCC(=O)O PEG2020 [0,0,1,0,0,0|2,0,0]=3 16 B8R0.8 C(C[C@@H](C(=O)O)N)C#N HAA5700 [0,0,1,0,0,0|2,0,1]=4 17 B8R0.8 C(C[C@@H](C(=O)O)N)CN HAA1115 [0,0,1,0,0,0|2,0,0]=3 18 B8R0.8 C(C[C@H](C(=O)O)N)CN HAA1041 [0,0,1,0,0,0|2,0,0]=3 19 B8R0.8 CCCC[C@@H](C(=O)O)N HAA1113 [0,0,1,0,0,0|1,0,0]=2 20 B8R0.8 CCCC[C@H](C(=O)O)N HAA1039 [0,0,1,0,0,0|1,0,0]=2 21 B8R0.8 CSCC[C@@H](C(=O)N)N HAA6930 [0,0,1,0,0,0|3,0,0]=4 22 B8R0.8 CSCC[C@@H](C(=O)O)N HAA1109 [0,0,1,0,0,0|2,0,0]=3 23 B8R0.8 CSCC[C@H](C(=O)O)N HAA1037 [0,0,1,0,0,0|2,0,0]=3 24 B8R1.7 C1C=C[C@H](N1)C(=O)O HAA6180 [0,0,0,0,1,0|1,0,2]=4 25 B8R1.7 C1C[C@@H](NC1)C(=O)N HAA1047 [0,0,0,0,1,0|2,0,0]=3 26 B8R1.7 C1C[C@@H](NC1)C(=O)O HAA1048 [0,0,0,0,1,0|1,0,0]=2 27 B8R1.7 C1C[C@H](NC1)C(=O)N HAA7160 [0,0,0,0,1,0|2,0,0]=3 28 B8R1.7 C1C[C@H](NC1)C(=O)O HAA1126 [0,0,0,0,1,0|1,0,0]=2 29 B8R1.7 C1[C@H](NCS1)C(=O)O HAA1132 [0,0,0,0,1,0|2,0,0]=3 30 B10R1.18 C1CNCCC1CC(=O)O RL-1048 [0,0,0,0,0,1|1,0,0]=2 31 B7R0.5 C(CN)[C@@H](C(=O)O)N HAA1224 [1,0,1,0,0,0|2,0,0]=4 32 B7R0.5 C(CN)[C@H](C(=O)O)N HAA1179 [1,0,1,0,0,0|2,0,0]=4 33 B7R0.5 C(CO)[C@@H](C(=O)O)N HAA1090 [1,0,1,0,0,0|2,0,0]=4 34 B7R0.5 C(CO)[C@H](C(=O)O)N HAA1028 [1,0,1,0,0,0|2,0,0]=4 35 B7R0.5 CCC[C@@H](C(=O)O)N HAA1114 [1,0,1,0,0,0|1,0,0]=3 36 B7R0.5 CCC[C@H](C(=O)O)N HAA1040 [1,0,1,0,0,0|1,0,0]=3 37 B7R0.5 CNC[C@@H](C(=O)O)N HAA1680 [1,0,1,0,0,0|2,0,0]=4 38 B7R0.5 CNC[C@H](C(=O)O)N HAA1685 [1,0,1,0,0,0|2,0,0]=4 39 B7R0.5 CSC[C@@H](C(=O)O)N HAA1078 [1,0,1,0,0,0|2,0,0]=4 40 B7R1.3 CC1CCNCC1 RL-2003 [2,0,0,0,0,0|1,0,1]=4 41 B9R0.2 C(CCN=[N+]=[N-])CC(=O)O AAA1970 [0,1,1,0,0,0|2,0,0]=4 42 B9R0.2 COCCOCCC(=O)O PEG1630 [0,1,1,0,0,0|1,0,0]=3 43 B9R0.4 C=CCCC(CC(=O)O)N HAA2440 [0,1,1,0,0,0|0,0,2]=4 44 B9R0.4 C=CCCC(CC(=O)O)N HAA2630 [0,1,1,0,0,0|0,0,2]=4 45 B9R0.4 CCCCC(CC(=O)O)N HAA2450 [0,1,1,0,0,0|0,0,0]=2 46 B9R0.4 CCCCC(CC(=O)O)N HAA2640 [0,1,1,0,0,0|0,0,0]=2 47 B9R0.4 CSCC[C@@H](CC(=O)O)N HAA8540 [0,1,1,0,0,0|1,0,0]=3 48 B9R0.47 C(CCN)C[C@@H](C(=O)O)N HAA1097 [0,1,1,0,0,0|1,0,0]=3 49 B9R0.47 C(CCN)C[C@H](C(=O)O)N HAA1033 [0,1,1,0,0,0|1,0,0]=3 50 B9R0.47 C(CO)NC[C@@H](C(=O)O)N HAA1700 [0,1,1,0,0,0|2,0,0]=4 51 B9R0.47 C(CO)NC[C@H](C(=O)O)N HAA1705 [0,1,1,0,0,0|2,0,0]=4 52 B9R0.6 CCO[C@@H](C)[C@@H](C(=O)O)N HAA1670 [0,1,1,0,0,0|2,0,0]=4 53 B9R0.6 CCO[C@H](C)[C@H](C(=O)O)N HAA1675 [0,1,1,0,0,0|2,0,0]=4 54 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HAA2290 [0,1,1,0,0,0|1,0,0]=3 55 B9R0.7 CS(=O)CCC(C(=O)O)N HAA8160 [0,1,1,0,0,0|2,0,0]=4 56 B9R0.8 CCCC[C@H](C(=O)OC)N HAA6370 [0,1,1,0,0,0|1,0,0]=3 57 B9R0.8 COC(=O)[C@@H](CCSC)N HAA6360 [0,1,1,0,0,0|2,0,0]=4 58 B9R0.8 COC(=O)[C@H](CCCN)N HAA7000 [0,1,1,0,0,0|2,0,0]=4 59 B9R0.8 COC(=O)[C@H](CCSC)N HAA6950 [0,1,1,0,0,0|2,0,0]=4 60 B9R0.29 CC[C@H](C)[C@@H](C(=O)O)NC HAA6920 [0,1,1,0,0,0|1,0,0]=3 61 B9R0.39 CC(C)C[C@@H](C(=O)O)NC HAA1210 [0,1,1,0,0,0|1,0,0]=3 62 B9R1.11 COC(=O)[C@@H]1CCCN1 HAA1127 [0,1,0,0,1,0|1,0,0]=3 63 B9R1.11 COC(=O)[C@H]1CCCN1 HAA6510 [0,1,0,0,1,0|1,0,0]=3 64 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O HAA1189 [0,1,0,0,1,0|1,0,1]=4 65 B9R1.35 C1CC(=O)N[C@H]1C(=O)O HAA1049 [0,1,0,0,1,0|1,0,1]=4 66 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O HAA1172 [0,1,0,0,1,0|1,0,0]=3 67 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O HAA1169 [0,1,0,0,1,0|1,0,0]=3 68 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O HAA1159 [0,1,0,0,1,0|1,0,0]=3 69 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O HAA1171 [0,1,0,0,1,0|1,0,0]=3 70 B9R1.41 C1C=C[C@@H]([C@@H]1C(=O)O)N HAA2400 [0,1,0,0,1,0|0,0,2]=4 71 B9R1.41 C1C=C[C@@H]([C@@H]1C(=O)O)N HAA2590 [0,1,0,0,1,0|0,0,2]=4 72 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O HAA2365 [0,1,0,0,1,0|0,0,0]=2 73 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O HAA2555 [0,1,0,0,1,0|0,0,0]=2 74 B9R1.41 CN1CCC[C@H]1C(=O)O HAA2250 [0,1,0,0,1,0|1,0,0]=3 75 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O HAA1785 [0,1,0,0,1,0|1,0,0]=3 76 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O HAA1780 [0,1,0,0,1,0|1,0,0]=3 77 B9R1.163 C1CCC(C1)(C(=O)O)N HAA1555 [0,1,0,0,1,0|0,0,0]=2 78 B9R1.163 C[C@@]1(CCCN1)C(=O)O HAA1561 [0,1,0,0,1,0|1,0,0]=3 79 B9R1.163 C[C@]1(CCCN1)C(=O)O HAA1228 [0,1,0,0,1,0|1,0,0]=3 80 B11R1.36 C1CCC(CC1)[C@@H](C(=O)O)N HAA6060 [0,1,0,0,0,1|0,0,0]=2 81 B11R1.36 C1CCC(CC1)[C@H](C(=O)O)N HAA6040 [0,1,0,0,0,1|0,0,0]=2 82 B11R1.928 C1CCC(CC1)(CC(=O)O)N HAA2390 [0,1,0,0,0,1|0,0,0]=2 83 B11R1.928 C1CCC(CC1)(CC(=O)O)N HAA2580 [0,1,0,0,0,1|0,0,0]=2 84 B11R1.928 C1COCCC1(CC(=O)O)N HAA2505 [0,1,0,0,0,1|1,0,0]=3 85 B11R1.928 C1COCCC1(CC(=O)O)N HAA2695 [0,1,0,0,0,1|1,0,0]=3 86 B11R1.143 C1CC[C@H]([C@H](CC1)N)C(=O)O HAA2420 [0,1,0,0,0,1|0,0,0]=2 87 B11R1.143 C1CC[C@H]([C@H](CC1)N)C(=O)O HAA2610 [0,1,0,0,0,1|0,0,0]=2 88 B11R1.22 COC(=O)[C@H]1CC[C@@H](CC1)N HAA1578 [0,2,0,0,0,0|0,0,0]=2 89 B11R1.22 COC(=O)[C@H]1CC[C@H](CC1)N HAA1577 [0,2,0,0,0,0|0,0,0]=2 90 B11R1.220 C1CC(CCC1=O)(C(=O)O)N HAA1603 [0,2,0,0,0,0|0,0,1]=3 91 B11R1.177 C[C@@]1(CCCC[C@H]1C(=O)O)N HAA2410 [0,2,0,0,0,0|0,0,0]=2 92 B11R1.177 C[C@@]1(CCCC[C@H]1C(=O)O)N HAA2600 [0,2,0,0,0,0|0,0,0]=2 93 B9R1.13 C1C[C@@H](NC1)CC(=O)O HAA8450 [0,0,1,1,0,0|1,0,0]=3 94 B9R1.13 C1C[C@H](NC1)CC(=O)O HAA8560 [0,0,1,1,0,0|1,0,0]=3 95 B7R1.1 C1C[C@@H](NC1)CO HAL1025 [1,0,0,0,1,0|1,0,1]=4 96 B7R1.1 C1C[C@H](NC1)CO FAL1015 [1,0,0,0,1,0|1,0,1]=4