0 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.9 O=C(O)CCC(=O)CBr P19462 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.9 O=C(O)CCC(=O)NO D83843 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 CC(=O)CCCCBr O11558 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.4 CCCOCC(=O)O AC1647 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.4 CNCCCC(N)=O 21232 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.4 COCCCC(=O)O 78063 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.4 NCCNCC(=O)O FD21628 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.6 C[S+](C)CCC(=O)O T70554 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.6 O=C(O)CCC(=O)O D85169 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.7 C=C(C)C(=O)NCC(=O)O A12316 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50434 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.7 C[C@H](NCC(=O)O)C(=O)O S10702 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O FD21448 [0,1,0,0,0,0|1,0,0]=2 17 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O C72668 [0,1,0,0,0,0|1,0,1]=3 18 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O F12353 [0,1,0,0,0,0|1,0,2]=4 19 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O FD10188 [0,1,0,0,0,0|1,0,2]=4 20 B9R1.1 O=CC1CCC(=O)CC1 C77323 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 77750 [0,0,0,1,0,0|0,0,0]=1 24 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 D76148 [0,0,0,1,0,0|0,0,0]=1 25 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 BL001270 [0,0,0,1,0,0|1,0,1]=3 26 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 72571 [0,0,0,1,0,0|0,0,2]=3 27 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 D87633 [0,0,0,1,0,0|0,0,2]=3 28 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P13660 [0,0,0,1,0,0|0,0,2]=3 29 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P16415 [0,0,0,1,0,0|0,0,2]=3 30 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BL001269 [0,0,0,1,0,0|1,0,1]=3 31 B9R1.35 O=C(O)C1CCC(O)C1 D70618 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 37985 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 78342 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P12517 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P15651 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.69 N[C@H]1CCC(=O)NC1=O AT11186 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.84 O=C(O)CCC1CCC1 86885 [0,0,0,1,0,0|1,0,2]=4 39 B9R1.86 CCC1CC1CC(=O)O D79896 [0,0,0,1,0,0|1,0,2]=4 40 B9R1.95 CCC1CC(C(=O)O)C1 20648 [0,0,0,1,0,0|1,0,2]=4 41 B9R1.95 COC1CC(C(=O)O)C1 P10644 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 38899 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 38900 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.95 NCC1CC(C(=O)O)C1 86804 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.95 O=C(O)C1CC(CBr)C1 D79069 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.95 O=C(O)C1CC(CF)C1 D97099 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.95 O=C(O)C1CC(CO)C1 70868 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.147 CC1(CCC(=O)O)N=N1 W17592 [0,0,0,1,0,0|3,0,0]=4 49 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,0,0,0,1,0|1,0,2]=4 50 B7R0.2 CC[C@H](N)CC(=O)O 51922 [0,0,0,0,1,0|0,0,2]=3 51 B7R0.2 CC[C@H](N)CC(=O)O 52000 [0,0,0,0,1,0|0,0,2]=3 52 B7R0.2 CC[C@H](O)CC(=O)O C14017 [0,0,0,0,1,0|1,0,2]=4 53 B7R0.2 N[C@H](CO)CC(=O)O D95019 [0,0,0,0,1,0|1,0,1]=3 54 B7R0.2 N[C@H](CO)CC(=O)O F14029 [0,0,0,0,1,0|1,0,1]=3 55 B6R0.1 N[C@H](CO)CCO AB10026 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.1 N[C@H](CO)CCO AB10027 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.4 C=CCCC(=O)Cl F16765 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.4 CC(=O)CCC=O P17049 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.4 CC(=O)CCCBr 25631 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.4 CC(=O)OCCN W11955 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.4 CC(C)CCC=O 31143 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.4 CCOCC(=O)O D73862 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.4 NCCCC(N)=O C72206 [2,0,0,0,0,0|1,0,0]=3 64 B6R0.6 C=CCNCCO W12833 [2,0,0,0,0,0|1,0,1]=4 65 B8R0.8 C=CCC[C@H](N)C(=O)O F12088 [1,1,0,0,0,0|2,0,0]=4 66 B8R0.8 C=CCC[C@H](N)C(=O)O F15989 [1,1,0,0,0,0|2,0,0]=4 67 B8R0.5 C=CC[C@H](N)CC(=O)O F15070 [1,1,0,0,0,0|0,0,0]=2 68 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [1,1,0,0,0,0|0,0,2]=4 69 B8R0.7 C#CCOCCC(=O)O 78672 [1,1,0,0,0,0|0,0,2]=4 70 B8R0.7 COCCNCC(=O)O W16095 [1,1,0,0,0,0|1,0,1]=4 71 B8R0.7 NCCCCCC(=O)O P19609 [1,1,0,0,0,0|0,0,2]=4 72 B8R0.21 C=CCCCS(=O)(=O)Cl AC6449 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.21 C=CCCCS(N)(=O)=O C77524 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.28 CC(=O)OCCC(=O)O C77559 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.28 CC(C)=CCCC(=O)O F16793 [1,1,0,0,0,0|0,0,2]=4 76 B8R0.28 NC(=O)CCCC(N)=O F14537 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.23 C=C(C)C[C@H](N)C(=O)O FD21883 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [1,1,0,0,0,0|1,0,1]=4 81 B8R0.23 NC(=O)[C@@H](N)CC(=O)O FD21181 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.29 CC(C)(S)CCC(=O)O P19032 [1,1,0,0,0,0|1,0,1]=4 83 B10R0.43 O=C(O)CCC(F)(F)C(=O)O 80765 [0,2,0,0,0,0|2,0,0]=4 84 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O T72531 [0,2,0,0,0,0|2,0,0]=4 85 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O 51910 [0,2,0,0,0,0|0,0,1]=3 86 B8R1.1 C=C[C@@H]1CCC(=O)N1 N10616 [1,0,0,1,0,0|0,0,0]=2 87 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [1,0,0,1,0,0|1,0,1]=4 93 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [1,0,0,1,0,0|1,0,0]=3 94 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [1,0,0,1,0,0|1,0,1]=4 96 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [1,0,0,1,0,0|1,0,1]=4 97 B8R1.3 O=C1C=C[C@@H](O)OC1 SC1227 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.4 C=C1CCCC(=O)O1 D93802 [1,0,0,1,0,0|0,0,0]=2 99 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [1,0,0,1,0,0|1,0,1]=4 102 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.34 O=C(O)CC1CNC1 37024 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.34 O=C(O)CC1COC1 66388 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.43 N#CC1CC1C(=O)O P14648 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.43 N#C[C@H]1C[C@@H]1C(=O)O P14731 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O P14732 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.43 O=C(O)C1CC1CCl D85971 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.23 NC1CC(C(=O)O)C1 38020 [1,0,0,1,0,0|0,0,1]=3 116 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [1,0,0,1,0,0|0,0,1]=3 117 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [1,0,0,1,0,0|0,0,1]=3 118 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [1,0,0,1,0,0|0,0,1]=3 119 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [1,0,0,1,0,0|0,0,1]=3 120 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.23 O=C(O)C1CC(F)C1 37218 [1,0,0,1,0,0|1,0,1]=4 122 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [1,0,0,1,0,0|1,0,1]=4 123 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [1,0,0,1,0,0|1,0,1]=4 124 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P10146 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P11831 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.51 CC1(C)CCC(=O)O1 48435 [1,0,0,1,0,0|1,0,1]=4 127 B8R1.77 O=C(O)C1CC1(F)Cl CS1218 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.77 O=C(O)[C@H]1CC1(F)F P15788 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.77 O=C(O)[C@H]1CC1(F)F P17160 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.18 N[C@H]1CC(=O)OC1=O 51906 [0,0,0,1,1,0|1,0,0]=3 131 B8R1.18 N[C@H]1CC(=O)OC1=O 51907 [0,0,0,1,1,0|1,0,0]=3 132 B10R1.13 C[C@@H]1CC=C(C(=O)O)CC1 D79048 [0,0,0,1,0,1|1,0,1]=4 133 B10R1.349 O=C(O)C1CC(C(=O)O)C1 P11844 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.169 COC(=O)C1CC(C=O)C1 F16729 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.63 C[C@]1(N)CCC(=O)NC1=O W11228 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 O10019 [0,1,0,1,0,0|0,0,2]=4 137 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P14630 [0,1,0,1,0,0|0,0,2]=4 138 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P15156 [0,1,0,1,0,0|0,0,2]=4 139 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P18748 [0,1,0,1,0,0|0,0,2]=4 140 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14344 [0,1,0,1,0,0|0,0,2]=4 141 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14570 [0,1,0,1,0,0|0,0,2]=4 142 B10R1.113 O=C1C=CC[C@H](C(=O)O)C1 F18279 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [0,1,0,1,0,0|0,0,1]=3 144 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [0,1,0,1,0,0|1,0,1]=4 145 B10R1.66 O=C(O)CCC1=CN=CN1 28308 [0,1,0,1,0,0|0,0,1]=3 146 B10R1.66 O=C(O)CCC1=CN=CS1 97779 [0,1,0,1,0,0|1,0,1]=4 147 B10R1.66 O=C(O)CCC1=CNC=C1 65418 [0,1,0,1,0,0|0,0,1]=3 148 B10R1.66 O=C(O)CCC1=CNN=C1 71939 [0,1,0,1,0,0|1,0,1]=4 149 B10R1.66 O=C(O)CCC1=NC=CN1 69195 [0,1,0,1,0,0|0,0,1]=3 150 B10R1.66 O=C(O)CCC1=NC=CN1 69196 [0,1,0,1,0,0|0,0,1]=3 151 B10R1.66 O=C(O)CCC1=NC=CS1 69864 [0,1,0,1,0,0|0,0,2]=4 152 B10R1.66 O=C(O)CCN1C=CC=N1 30854 [0,1,0,1,0,0|1,0,1]=4 153 B10R1.82 O=C(O)CCC1CC(=O)C1 P16547 [0,1,0,1,0,0|1,0,1]=4 154 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,0,0,0,1,0|1,0,1]=4 155 B6R0.2 NC(=O)CC(=O)O F20599 [1,0,0,0,1,0|1,0,1]=4 156 B6R0.3 C=C[C@H](C)C(=O)O T72590 [0,0,0,0,2,0|1,0,0]=3 157 B6R0.3 C=C[C@H](N)C(=O)O 33352 [0,0,0,0,2,0|0,0,0]=2 158 B6R0.3 C=C[C@H](N)C(=O)O 39549 [0,0,0,0,2,0|0,0,0]=2 159 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [0,0,0,0,2,0|1,0,1]=4