0 B8R0.8 C=CCC[C@H](N)C(=O)O F12088 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.8 C=CCC[C@H](N)C(=O)O F15989 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [0,0,0,0,0,0|0,1,0]=1 5 B7R0.4 CC(=O)CCCCBr O11558 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.4 CCCOCC(=O)O AC1647 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.4 CCNCCC(N)=O AT24732 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.4 CNCCCC(N)=O 21232 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.4 COCCCC(=O)O 78063 [1,0,0,0,0,0|0,1,0]=2 10 B7R0.4 NCCNCC(=O)O FD21628 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.5 C#CC[C@H](N)C(=O)O C73254 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.5 C#CC[C@H](N)C(=O)O F12349 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [1,0,0,0,0,0|2,1,0]=4 15 B7R0.5 CCC[C@H](O)C(=O)O 77792 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.5 CNC[C@H](N)C(=O)O N10392 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.5 COC[C@H](Br)C(=O)O C76037 [1,0,0,0,0,0|1,1,0]=3 18 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [1,0,0,0,0,0|1,1,0]=3 19 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [1,0,0,0,0,0|0,1,0]=2 20 B7R0.5 NCC[C@H](F)C(=O)O D71941 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [1,0,0,0,0,0|0,0,0]=1 23 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [1,0,0,0,0,0|0,0,0]=1 24 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50434 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O 42863 [0,1,0,0,0,0|0,0,1]=2 26 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O E70211 [0,1,0,0,0,0|0,0,1]=2 27 B9R0.7 N=C(N)NC[C@H](N)C(=O)O D80187 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O FD21448 [0,1,0,0,0,0|3,0,0]=4 29 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O C72668 [0,1,0,0,0,0|2,0,0]=3 30 B9R0.13 CCCC[C@H](CC)C(=O)O 86085 [0,1,0,0,0,0|2,0,0]=3 31 B9R0.13 CCCC[C@H](CC)C(=O)O 86086 [0,1,0,0,0,0|2,0,0]=3 32 B9R0.42 COC(=O)C[C@H](C)C(=O)O C76592 [0,1,0,0,0,0|1,1,1]=4 33 B9R0.47 C#CCSC[C@H](N)C(=O)O 30409 [0,1,0,0,0,0|1,0,1]=3 34 B9R0.47 C=CCCC[C@H](N)C(=O)O F15996 [0,1,0,0,0,0|1,0,1]=3 35 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [0,1,0,0,0,0|1,0,0]=2 36 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [0,1,0,0,0,0|1,0,0]=2 37 B9R0.47 CCSCC[C@H](N)C(=O)O A12005 [0,1,0,0,0,0|0,0,0]=1 38 B9R0.47 NCCCC[C@H](N)C(=O)O F10821 [0,1,0,0,0,0|1,0,0]=2 39 B9R0.47 NCCSC[C@H](N)C(=O)O FD21310 [0,1,0,0,0,0|2,0,0]=3 40 B9R0.47 N[C@@H](CSCCO)C(=O)O AB10207 [0,1,0,0,0,0|2,0,0]=3 41 B9R0.51 C=CCCC(C)(C)C(=O)O AC8558 [0,1,0,0,0,0|2,0,1]=4 42 B9R0.51 C[C@](N)(CCCN)C(=O)O F11646 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.5 C[C@H]1CCNCCC1=O 73013 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.5 N[C@H]1CCCCNC1=O A56020 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.5 O=C1CCNCC[C@@H]1Br 98344 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.6 NC(=O)C1CCNCC1 C75011 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.6 O=C(O)C1=CCNCC1 30668 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.6 O=C(O)C1CCSCC1 24425 [0,0,0,1,0,0|1,0,0]=2 49 B9R1.6 O=C(O)C1SCCCS1 W18220 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.6 O=C(O)[C@@H]1CNCCN1 P16892 [0,0,0,1,0,0|2,0,0]=3 53 B9R1.6 O=C(O)[C@@H]1CNCCO1 77638 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.6 O=C(O)[C@@H]1CNCCO1 F18966 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.6 O=C(O)[C@@H]1CNCCO1 F19034 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.6 O=C(O)[C@@H]1CNCCS1 F52105 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.6 O=C(O)[C@@H]1COCCN1 24948 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.6 O=C(O)[C@@H]1COCCN1 70235 [0,0,0,1,0,0|2,0,0]=3 59 B9R1.6 O=C(O)[C@@H]1COCCN1 70713 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.6 O=C(O)[C@@H]1COCCO1 F31034 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.6 O=C(O)[C@@H]1COCCO1 F31049 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.6 O=C(O)[C@@H]1CSCCN1 66696 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.6 O=C(O)[C@@H]1CSCCN1 77693 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.6 O=C(O)[C@H]1NCCCS1 C76501 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.35 CN1CC[C@H](C(=O)O)C1 38443 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.35 CN1CC[C@H](C(=O)O)C1 P12609 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [0,0,0,1,0,0|1,0,0]=2 71 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 W10212 [0,0,0,1,0,0|2,0,0]=3 72 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 64802 [0,0,0,1,0,0|3,0,0]=4 73 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 72571 [0,0,0,1,0,0|3,0,0]=4 74 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 D87633 [0,0,0,1,0,0|3,0,0]=4 75 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P13660 [0,0,0,1,0,0|3,0,0]=4 76 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P16415 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.35 O=C(O)C1CCC(O)C1 D70618 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 F10334 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 W16754 [0,0,0,1,0,0|3,0,0]=4 80 B9R1.35 O=C1N[C@H](C(=O)O)CO1 AT13924 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.59 CCOC1CC1C(=O)O C77470 [0,0,0,1,0,0|3,0,0]=4 82 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,0,0,1,0,0|3,0,0]=4 83 B9R1.69 N[C@H]1CCC(=O)NC1=O AT11186 [0,0,0,1,0,0|3,0,0]=4 84 B9R1.95 CCC1CC(C(=O)O)C1 20648 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.95 COC1CC(C(=O)O)C1 P10644 [0,0,0,1,0,0|1,1,0]=3 86 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 38899 [0,0,0,1,0,0|1,1,0]=3 87 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 38900 [0,0,0,1,0,0|1,1,0]=3 88 B9R1.95 NCC1CC(C(=O)O)C1 86804 [0,0,0,1,0,0|3,0,0]=4 89 B9R1.95 O=C(O)C1CC(CBr)C1 D79069 [0,0,0,1,0,0|3,0,0]=4 90 B9R1.95 O=C(O)C1CC(CF)C1 D97099 [0,0,0,1,0,0|3,0,0]=4 91 B9R1.95 O=C(O)C1CC(CO)C1 70868 [0,0,0,1,0,0|3,0,0]=4 92 B9R1.110 C[C@H](C(=O)O)C1CNC1 D96727 [0,0,0,1,0,0|2,0,0]=3 93 B9R1.110 N[C@H](C(=O)O)C1CCC1 67397 [0,0,0,1,0,0|1,0,0]=2 94 B9R1.110 N[C@H](C(=O)O)C1CCC1 67404 [0,0,0,1,0,0|1,0,0]=2 95 B9R1.110 N[C@H](C(=O)O)C1COC1 59698 [0,0,0,1,0,0|0,1,0]=2 96 B9R1.110 N[C@H](C(=O)O)C1COC1 CS3552 [0,0,0,1,0,0|0,1,0]=2 97 B9R1.112 NC(=O)[C@@H](N)CC1CC1 P18029 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51303 [0,0,0,1,0,0|1,0,0]=2 99 B9R1.112 N[C@@H](CC1CC1)C(=O)O 67427 [0,0,0,1,0,0|1,0,0]=2 100 B9R1.163 CC(=O)C1(O)CCCC1 AB1008 [0,0,0,1,0,0|3,0,0]=4 101 B9R1.163 CC1(C(=O)O)CCCC1 D78698 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.163 CC1(C(N)=O)CSSC1 C11955 [0,0,0,1,0,0|3,0,0]=4 103 B9R1.163 C[C@]1(C(=O)O)CCNC1 C14721 [0,0,0,1,0,0|2,0,0]=3 104 B9R1.163 C[C@]1(C(=O)O)CCNC1 D79549 [0,0,0,1,0,0|2,0,0]=3 105 B9R1.163 C[C@]1(C(=O)O)CCNC1 F13601 [0,0,0,1,0,0|2,0,0]=3 106 B9R1.163 C[C@]1(C(=O)O)CCOC1 38928 [0,0,0,1,0,0|1,1,0]=3 107 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19621 [0,0,0,1,0,0|1,0,0]=2 108 B9R1.163 N[C@@]1(C(=O)O)CCOC1 53168 [0,0,0,1,0,0|0,1,0]=2 109 B9R1.163 N[C@@]1(C(=O)O)CCOC1 77577 [0,0,0,1,0,0|0,1,0]=2 110 B9R1.163 N[C@@]1(C(=O)O)CCOC1 77578 [0,0,0,1,0,0|0,1,0]=2 111 B9R1.163 N[C@@]1(C(=O)O)CCSC1 20638 [0,0,0,1,0,0|0,0,0]=1 112 B9R1.163 O=C(O)C1(F)CCCC1 85749 [0,0,0,1,0,0|2,0,0]=3 113 B9R0.4 CCCC[C@H](C)OC(=O)Cl S11041 [0,0,0,0,0,1|3,0,0]=4 114 B9R0.4 CSCC[C@H](N)CC(=O)O F12355 [0,0,0,0,0,1|0,0,0]=1 115 B9R0.4 CSCC[C@H](N)CC(=O)O FD10029 [0,0,0,0,0,1|0,0,0]=1 116 B9R0.4 CSCC[C@H](N)CC(=O)O FD10030 [0,0,0,0,0,1|0,0,0]=1 117 B6R0.1 CCC[C@H](N)CO C13482 [2,0,0,0,0,0|0,0,1]=3 118 B6R0.1 N[C@H](CO)CCO AB10026 [2,0,0,0,0,0|0,1,1]=4 119 B6R0.1 N[C@H](CO)CCO AB10027 [2,0,0,0,0,0|0,1,1]=4 120 B6R0.1 N[C@H](CS)CCS F52529 [2,0,0,0,0,0|0,1,1]=4 121 B6R0.4 CC(=O)CCCBr 25631 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.4 CCOCC(=O)O D73862 [2,0,0,0,0,0|1,0,0]=3 123 B6R0.4 NCCCC(N)=O C72206 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.3 C=C[C@H](N)C(=O)O 33352 [2,0,0,0,0,0|0,0,2]=4 125 B6R0.3 C=C[C@H](N)C(=O)O 39549 [2,0,0,0,0,0|0,0,2]=4 126 B6R0.3 CC[C@H](C)C(=O)O 88659 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.3 CC[C@H](N)C(N)=O I10243 [2,0,0,0,0,0|1,0,0]=3 128 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [2,0,0,0,0,0|1,0,1]=4 129 B6R0.3 C[C@@H](CN)C(=O)O F15101 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.3 C[C@@H](CN)C(=O)O F15242 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [2,0,0,0,0,0|1,1,0]=4 132 B6R0.3 NC(=O)[C@@H](N)CO D75098 [2,0,0,0,0,0|1,1,0]=4 133 B6R0.3 NC[C@H](F)C(=O)O T73016 [2,0,0,0,0,0|2,0,0]=4 134 B6R0.3 NC[C@H](O)C(=O)O O10173 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [2,0,0,0,0,0|1,1,0]=4 137 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [2,0,0,0,0,0|1,1,0]=4 138 B6R0.3 O=C(O)[C@@H](O)CCl 84142 [2,0,0,0,0,0|2,0,0]=4 139 B8R0.25 CCCCC(C)(C)C=O D93253 [1,1,0,0,0,0|2,0,0]=4 140 B8R0.5 C=CC[C@H](N)CC(=O)O F15070 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [1,1,0,0,0,0|2,0,0]=4 142 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [1,1,0,0,0,0|1,0,0]=3 143 B8R0.7 C#CCOCCC(=O)O 78672 [1,1,0,0,0,0|1,0,1]=4 144 B8R0.7 COCCNCC(=O)O W16095 [1,1,0,0,0,0|0,1,0]=3 145 B8R0.7 NCCCCCC(=O)O P19609 [1,1,0,0,0,0|1,0,0]=3 146 B8R0.7 NCCCCCC(N)=O AC6029 [1,1,0,0,0,0|2,0,0]=4 147 B8R0.7 O=C([O-])CCCCCO Y14708 [1,1,0,0,0,0|1,0,1]=4 148 B8R0.28 CC(=O)OCCC(=O)O C77559 [1,1,0,0,0,0|2,0,0]=4 149 B8R0.28 CC(C)=CCCC(=O)O F16793 [1,1,0,0,0,0|1,0,1]=4 150 B8R0.28 CC(C)CNCC(=O)O W10796 [1,1,0,0,0,0|2,0,0]=4 151 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O FD21836 [1,1,0,0,0,0|0,0,0]=2 152 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [1,1,0,0,0,0|1,0,0]=3 153 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A11792 [1,1,0,0,0,0|0,1,0]=3 154 B8R0.12 C=CC[C@](C)(N)C(=O)O F12113 [1,1,0,0,0,0|0,0,2]=4 155 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [1,1,0,0,0,0|1,0,0]=3 156 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [1,1,0,0,0,0|1,0,0]=3 157 B8R0.23 C=C(C)C[C@H](N)C(=O)O FD21883 [1,1,0,0,0,0|0,0,1]=3 158 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [1,1,0,0,0,0|0,0,0]=2 159 B8R0.23 CN(C)C[C@H](N)C(=O)O F19964 [1,1,0,0,0,0|1,0,0]=3 160 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10061 [0,1,0,0,0,1|1,0,0]=3 161 B10R0.87 CCCC[C@H](CC)CC(=O)O A10554 [0,1,0,0,0,1|2,0,0]=4 162 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O 51910 [0,1,0,0,0,1|2,0,0]=4 163 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O C73273 [0,2,0,0,0,0|2,0,0]=4 164 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O 68604 [0,2,0,0,0,0|2,0,0]=4 165 B10R0.82 COC(=O)CC[C@H](N)C(N)=O W12035 [0,2,0,0,0,0|1,1,0]=4 166 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O D93747 [0,2,0,0,0,0|1,0,0]=3 167 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O T72531 [0,2,0,0,0,0|1,0,1]=4 168 B10R0.19 C=CCC[C@H](N)C(=O)OCC W17088 [0,2,0,0,0,0|1,0,1]=4 169 B8R1.2 O=C[C@@H]1CCCCN1 62054 [1,0,0,1,0,0|1,0,0]=3 170 B8R1.2 O=C[C@@H]1CCCCO1 79885 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.5 C[C@H]1CCCCC1=O D77719 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.5 NC1CCOCC1O P16839 [1,0,0,1,0,0|0,1,1]=4 173 B8R1.5 NN1CCCCC1=O C74639 [1,0,0,1,0,0|2,0,0]=4 174 B8R1.5 N[C@@H]1CCOC[C@@H]1O P14531 [1,0,0,1,0,0|0,1,1]=4 175 B8R1.5 N[C@@H]1CCOC[C@@H]1O P19745 [1,0,0,1,0,0|0,1,1]=4 176 B8R1.5 N[C@H]1CCCCC1=O C16242 [1,0,0,1,0,0|1,0,0]=3 177 B8R1.5 N[C@H]1CCCNC1=O 11355 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.5 N[C@H]1CCCNC1=O 51546 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.5 N[C@H]1CCOC[C@@H]1O 38664 [1,0,0,1,0,0|0,1,1]=4 180 B8R1.5 N[C@H]1CCOC[C@@H]1O 39432 [1,0,0,1,0,0|0,1,1]=4 181 B8R1.5 N[C@H]1CCOC[C@@H]1O 39433 [1,0,0,1,0,0|0,1,1]=4 182 B8R1.50 CN1CC[C@H](Br)C1=O C77641 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.50 CN1CC[C@H](N)C1=O 51274 [1,0,0,1,0,0|1,0,0]=3 184 B8R1.52 CC1(C=O)CCCC1 90941 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.52 N[C@@]1(CO)CCOC1 P12315 [1,0,0,1,0,0|0,1,1]=4 186 B8R1.4 C=C1CCCC(=O)O1 D93802 [1,0,0,1,0,0|1,0,1]=4 187 B8R1.4 CN1CCCC(=O)C1 S10664 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.6 CCCC1CC(=O)C1 D96728 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [1,0,0,1,0,0|1,1,0]=4 191 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [1,0,0,1,0,0|1,1,0]=4 194 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [1,0,0,1,0,0|1,1,0]=4 196 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [1,0,0,1,0,0|1,1,0]=4 197 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [1,0,0,1,0,0|1,0,0]=3 198 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [1,0,0,1,0,0|1,0,0]=3 199 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [1,0,0,1,0,0|0,1,0]=3 200 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [1,0,0,1,0,0|0,1,0]=3 201 B8R1.31 CC1NCC1C(=O)O P14366 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [1,0,0,1,0,0|1,0,0]=3 203 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [1,0,0,1,0,0|1,0,0]=3 204 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [1,0,0,1,0,0|1,0,0]=3 205 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.34 CC(=O)CC1CCC1 D79207 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.34 CC(=O)CC1COC1 CS1731 [1,0,0,1,0,0|1,1,0]=4 209 B8R1.34 O=C(O)CC1CNC1 37024 [1,0,0,1,0,0|1,0,0]=3 210 B8R1.34 O=C(O)CC1COC1 66388 [1,0,0,1,0,0|0,1,0]=3 211 B8R1.34 O=C(O)CN1CCC1 55159 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.34 O=C([O-])CC1COC1 P19943 [1,0,0,1,0,0|0,1,1]=4 213 B8R1.35 O=C(O)CNC1CC1 F14996 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.35 O=C(O)CNC1CC1 W15242 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.43 N#CC1CC1C(=O)O P14648 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.43 N#C[C@H]1C[C@@H]1C(=O)O P14731 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O P14732 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.43 O=C(O)C1CC1CCl D85971 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.18 N[C@H]1CC(=O)OC1=O 51906 [1,0,0,1,0,0|0,1,1]=4 221 B8R1.18 N[C@H]1CC(=O)OC1=O 51907 [1,0,0,1,0,0|0,1,1]=4 222 B8R1.23 NC1CC(C(=O)O)C1 38020 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.23 O=C(O)C1CC(F)C1 37218 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P10146 [1,0,0,1,0,0|0,1,1]=4 232 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P11831 [1,0,0,1,0,0|0,1,1]=4 233 B8R1.54 N[C@H](C(=O)O)C1CC1 59339 [1,0,0,1,0,0|0,0,0]=2 234 B8R1.78 C[C@@]1(C(=O)O)CCO1 P18488 [1,0,0,1,0,0|1,1,0]=4 235 B8R1.78 NC(=O)C1(N)COC1 P19028 [1,0,0,1,0,0|1,1,0]=4 236 B8R1.78 NC1(C(=O)O)CNC1 38052 [1,0,0,1,0,0|1,0,0]=3 237 B8R1.78 NC1(C(=O)O)CSC1 P11488 [1,0,0,1,0,0|0,0,0]=2 238 B8R1.78 O=C(O)C1(O)CCC1 F50565 [1,0,0,1,0,0|1,0,0]=3 239 B8R1.78 O=C(O)C1(O)CNC1 P12583 [1,0,0,1,0,0|2,0,0]=4 240 B10R1.18 O=C(O)CC1CCNCC1 20237 [0,0,0,1,0,1|2,0,0]=4 241 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1464 [0,0,0,1,0,1|1,0,0]=3 242 B10R1.18 O=C(O)C[C@H]1COCCN1 26941 [0,0,0,1,0,1|2,0,0]=4 243 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 AT10889 [0,0,0,1,0,1|2,0,0]=4 244 B10R1.61 CC1CCNCC1C(=O)O 85195 [0,0,0,1,0,1|2,0,0]=4 245 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O W15763 [0,0,0,1,0,1|1,0,1]=4 246 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20637 [0,0,0,1,0,1|1,0,0]=3 247 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20800 [0,0,0,1,0,1|1,0,0]=3 248 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F12968 [0,0,0,1,0,1|1,0,0]=3 249 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F53490 [0,0,0,1,0,1|1,0,0]=3 250 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F12964 [0,0,0,1,0,1|1,0,0]=3 251 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F18377 [0,0,0,1,0,1|1,0,0]=3 252 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O P20265 [0,0,0,1,0,1|1,0,0]=3 253 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O 51259 [0,0,0,1,0,1|2,0,0]=4 254 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 30865 [0,1,0,1,0,0|2,0,0]=4 255 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 AC1163 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.23 NC(C(=O)O)C1CCNC1 67423 [0,1,0,1,0,0|1,0,0]=3 257 B10R1.23 NC(C(=O)O)C1CCOC1 67390 [0,1,0,1,0,0|0,1,0]=3 258 B10R1.275 CN1CCCC[C@H](N)C1=O 66077 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.291 CN1CCC[C@@]1(C)C(=O)O AT11330 [0,1,0,1,0,0|2,0,0]=4 260 B10R1.13 CC1=CC[C@@H](C(=O)O)CC1 71380 [0,1,0,1,0,0|2,0,0]=4 261 B10R1.13 CC1CCC(C(=O)O)CN1 50062 [0,1,0,1,0,0|1,0,0]=3 262 B10R1.13 CC1CCC(C(=O)O)CN1 AT20796 [0,1,0,1,0,0|1,0,0]=3 263 B10R1.13 CC1COC(C(=O)O)CN1 F18937 [0,1,0,1,0,0|2,0,0]=4 264 B10R1.13 O=C(O)C1CCC(F)CC1 P15397 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.13 O=C(O)C1CCC(O)CN1 F30864 [0,1,0,1,0,0|1,0,0]=3 266 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 86182 [0,1,0,1,0,0|1,0,0]=3 267 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P14578 [0,1,0,1,0,0|1,0,0]=3 268 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P15745 [0,1,0,1,0,0|1,0,0]=3 269 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 P16645 [0,1,0,1,0,0|2,0,0]=4 270 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 P16816 [0,1,0,1,0,0|2,0,0]=4 271 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 66144 [0,1,0,1,0,0|1,0,0]=3 272 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 O11485 [0,1,0,1,0,0|2,0,0]=4 273 B10R1.349 CC(C)C1CC(C(=O)O)C1 70890 [0,1,0,1,0,0|2,0,0]=4 274 B10R1.349 CN(C)C1CC(C(=O)O)C1 P13961 [0,1,0,1,0,0|2,0,0]=4 275 B10R1.359 O=C(O)[C@@H]1CCS(=O)(=O)N1 60300 [0,1,0,1,0,0|1,0,1]=4 276 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)N1 P19052 [0,1,0,1,0,0|2,0,0]=4 277 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)N1 P21045 [0,1,0,1,0,0|2,0,0]=4 278 B10R1.14 COC(=O)[C@@H]1CCC(=S)N1 W12371 [0,1,0,1,0,0|2,0,0]=4 279 B10R1.14 COC(=O)[C@H]1CCN(C)C1 F12360 [0,1,0,1,0,0|2,0,0]=4 280 B10R1.15 COC(=O)C1CCSCC1 74108 [0,1,0,1,0,0|1,0,0]=3 281 B10R1.15 COC(=O)[C@@H]1COCCN1 25784 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.15 COC(=O)[C@@H]1COCCN1 31155 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.15 COC(=O)[C@@H]1COCCN1 P10713 [0,1,0,1,0,0|2,0,0]=4 284 B10R1.15 O=C(CO)C1CCCCC1 D93099 [0,1,0,1,0,0|2,0,0]=4 285 B10R1.182 COC(=O)[C@@H](N)C1CCC1 67401 [0,1,0,1,0,0|1,0,0]=3 286 B10R1.182 COC(=O)[C@@H](N)C1CCC1 67408 [0,1,0,1,0,0|1,0,0]=3 287 B10R1.182 COC(=O)[C@@H](N)C1CCC1 F53592 [0,1,0,1,0,0|1,0,0]=3 288 B10R1.182 COC(=O)[C@@H](N)C1CCC1 F53678 [0,1,0,1,0,0|1,0,0]=3 289 B10R1.182 COC(=O)[C@@H](N)C1COC1 59697 [0,1,0,1,0,0|0,1,0]=3 290 B10R1.182 COC(=O)[C@@H](N)C1COC1 93236 [0,1,0,1,0,0|0,1,0]=3 291 B10R1.184 CNC(=O)[C@@H](N)CC1CC1 P18030 [0,1,0,1,0,0|2,0,0]=4 292 B10R1.184 COC(=O)[C@@H](O)CC1CC1 69648 [0,1,0,1,0,0|2,0,0]=4 293 B10R1.411 CNC(=O)C1(N)CCCC1 P18998 [0,1,0,1,0,0|2,0,0]=4 294 B10R1.411 COC(=O)C1(Br)CCCC1 W12602 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.411 COC(=O)C1(O)CCCC1 P15503 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.411 COC(=O)[C@@]1(C)CCNC1 P11476 [0,1,0,1,0,0|2,0,0]=4 297 B10R1.411 COC(=O)[C@]1(Br)CCOC1 W19570 [0,1,0,1,0,0|1,1,0]=4 298 B10R1.411 COC(=O)[C@]1(F)CCNC1 72785 [0,1,0,1,0,0|2,0,0]=4 299 B10R1.411 COC(=O)[C@]1(N)CCOC1 P13106 [0,1,0,1,0,0|0,1,0]=3 300 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O D78920 [0,1,0,1,0,0|2,0,0]=4 301 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O F14371 [0,1,0,1,0,0|2,0,0]=4 302 B10R1.348 O=C(O)C1CCC=CCC1 C73071 [0,1,0,1,0,0|2,0,0]=4 303 B10R1.348 O=C(O)[C@@H]1CCCCCN1 I10217 [0,1,0,1,0,0|1,0,0]=3 304 B10R1.348 O=C(O)[C@H]1CCCCNC1 81143 [0,1,0,1,0,0|1,0,0]=3 305 B10R1.477 O=C(O)C1(CO)CCCC1 A50603 [0,1,0,1,0,0|2,0,0]=4 306 B10R1.113 CC1CCCC(C(=O)O)N1 CL3106 [0,1,0,1,0,0|1,0,0]=3 307 B10R1.113 CC1CNCC(C(=O)O)O1 F18917 [0,1,0,1,0,0|2,0,0]=4 308 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15822 [0,1,0,1,0,0|2,0,0]=4 309 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15830 [0,1,0,1,0,0|2,0,0]=4 310 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB1537 [0,1,0,1,0,0|2,0,0]=4 311 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17614 [0,1,0,1,0,0|2,0,0]=4 312 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 49321 [0,1,0,1,0,0|1,0,0]=3 313 B10R1.113 C[C@H]1C[C@@H](C(=O)O)CCN1 D78964 [0,1,0,1,0,0|2,0,0]=4 314 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 O10019 [0,1,0,1,0,0|2,0,0]=4 315 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P14630 [0,1,0,1,0,0|2,0,0]=4 316 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P15156 [0,1,0,1,0,0|2,0,0]=4 317 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P18748 [0,1,0,1,0,0|2,0,0]=4 318 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14344 [0,1,0,1,0,0|2,0,0]=4 319 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14570 [0,1,0,1,0,0|2,0,0]=4 320 B10R1.113 O=C(O)C1CCCC(O)C1 F30240 [0,1,0,1,0,0|2,0,0]=4 321 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17607 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17608 [0,1,0,1,0,0|2,0,0]=4 323 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P19688 [0,1,0,1,0,0|2,0,0]=4 324 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P21100 [0,1,0,1,0,0|2,0,0]=4 325 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 F13748 [0,1,0,1,0,0|1,0,1]=4 326 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 59422 [0,1,0,1,0,0|1,0,0]=3 327 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 67426 [0,1,0,1,0,0|1,0,0]=3 328 B10R1.490 NC1(C(=O)O)CC(CO)C1 P15911 [0,1,0,1,0,0|2,0,0]=4 329 B10R1.490 N[C@]1(C(=O)O)C[C@@H](CO)C1 P17677 [0,1,0,1,0,0|2,0,0]=4 330 B10R1.363 CC1(C(=O)O)CCNCC1 30932 [0,1,0,1,0,0|2,0,0]=4 331 B10R1.363 CC1(C(=O)O)CCSCC1 P12320 [0,1,0,1,0,0|1,0,0]=3 332 B10R1.363 C[C@@]1(C(=O)O)CC=CCC1 W11357 [0,1,0,1,0,0|2,0,0]=4 333 B10R1.363 C[C@@]1(C(=O)O)COCCN1 89609 [0,1,0,1,0,0|1,1,0]=4 334 B10R1.363 C[C@]1(C(=O)O)CCCNC1 38435 [0,1,0,1,0,0|2,0,0]=4 335 B10R1.363 C[C@]1(C(=O)O)CCCNC1 55571 [0,1,0,1,0,0|2,0,0]=4 336 B10R1.363 NC(=O)C1(N)CCCCC1 20713 [0,1,0,1,0,0|2,0,0]=4 337 B10R1.363 NC(=O)C1(N)CCOCC1 AB8079 [0,1,0,1,0,0|1,1,0]=4 338 B10R1.363 NC1(C(=O)O)CCSCC1 AC6055 [0,1,0,1,0,0|0,0,0]=2 339 B10R1.363 O=C(O)C1(F)CCCCC1 85750 [0,1,0,1,0,0|2,0,0]=4 340 B10R1.363 O=C(O)C1(F)CCOCC1 38681 [0,1,0,1,0,0|1,1,0]=4 341 B10R1.363 O=C(O)C1(O)CCNCC1 F30328 [0,1,0,1,0,0|2,0,0]=4 342 B10R2.178 O=C1NCC2CCC1N2 P17879 [0,0,0,2,0,0|2,0,0]=4 343 B10R2.355 O=C(O)C1NCC2CC21 P16025 [0,0,0,2,0,0|1,0,0]=3 344 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 54180 [0,0,0,2,0,0|2,0,0]=4 345 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 D82603 [0,0,0,2,0,0|2,0,0]=4 346 B10R2.357 O=C(O)C1CC2CC2C1 38234 [0,0,0,2,0,0|2,0,0]=4 347 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 38337 [0,0,0,2,0,0|1,0,0]=3 348 B10R2.633 O=C(O)C1CC1C2CC2 P10168 [0,0,0,2,0,0|2,0,0]=4 349 B10R2.638 O=C(O)[C@H]1CC12CCC2 90961 [0,0,0,2,0,0|2,0,0]=4