0 B7R0.4 CC(O)CNCCO AC021070 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 CCCCCC(C)N HY-B0952 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.4 COCCCC(O)=O AC100091 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.4 CC(=O)CCCCl AC511746 [1,0,0,0,0,0|1,0,0]=2 4 B6R0.4 CC(=O)OCCBr AC511000 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.4 CC(C)CCCO AC510897 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 CCCCB(O)O AC090160 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.4 CCCOC(N)=O AC512151 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.4 CN(C)CCCBr AC182623 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.4 CN(C)CCCCl AC500093 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.4 CN(C)CCCCl AC512046 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.4 CNCCC(C)C AC010487 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CNCCC(C)C AC010537 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 COCCC(O)=O AC100057 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.4 CSCCC(O)=O HY-101401 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 OC(=O)CCC#C AC510868 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.4 OC(=O)CCC#N AC512077 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 OC(=O)CCC=C AC511045 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.4 OC(=O)CCCBr AC511629 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.4 [O-]C(=O)CCC#C HY-15286 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.6 BrCCCCC#N AC130360 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.6 ClCCCCC=O AC511901 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.6 OCCCCC#N AC130361 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.6 OCCCCC=O AC511239 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.6 OCCCCCBr AC500312 [1,0,0,0,0,0|1,0,2]=4 25 B8R0.5 CCCC(C)CC(C)C AC220173 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.5 CCOC(=O)CC(N)=O AC180464 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.5 CCOC(=O)CC([O-])=O AC130069 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.7 CC(=O)NCCCON AC010101 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.7 CC(C)CCCCCBr AC250009 [0,1,0,0,0,0|1,0,1]=3 30 B8R0.7 CC(C)NCCCCO AC021626 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.7 CCCCCCB(O)O AC090081 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.7 CS(=O)CCCN=C=S HY-101413 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.7 NCCCCCC(O)=O AC510865 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.7 NCCCCCC(O)=O HY-B0236 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.7 NCCCCNC(N)=N HY-101238 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.7 OC(=O)CCCCCBr AC510767 [0,1,0,0,0,0|1,0,0]=2 37 B8R0.8 C[Se]CCC(N)C(O)=O HY-B1000 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.8 C[Se]CC[C@H](N)C(O)=O HY-B1000A [0,1,0,0,0,0|2,0,0]=3 39 B8R0.8 NCCC[C@H](N)C(O)=O HY-B1352 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.9 NC(CCC(O)=O)C=C HY-15399 [0,1,0,0,0,0|1,0,2]=4 41 B8R0.9 NC(CCC(O)=O)C=C HY-B0033 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.9 NCC(=O)CCC(O)=O AC050222 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.9 NCC(=O)CCC(O)=O AC510831 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.9 NCC(=O)CCC(O)=O HY-N0305 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.21 CCCCOS(C)(=O)=O AC512087 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.28 CC(=O)CCCC(O)=O AC180079 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.28 CC(C)CCCC(C)N HY-B1233 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.28 CN(C)CCCC(O)=O AC130623 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.1 BrCC1CCC(=O)O1 AC021454 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.1 BrC[C@@H]1CCC(=O)N1 AC020723 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.1 C=CC1COC(=O)C1 AC020673 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.1 CCN1CCC(C1)O LN00184958 [0,0,0,1,0,0|1,0,2]=4 53 B8R1.1 OCC1CCC(=O)N1 AC160496 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.1 OC[C@@H]1CCC(=O)N1 AC020686 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.1 OC[C@@H]1CCC(=O)O1 AC180593 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.1 OC[C@H]1CCC(=O)N1 AC170007 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.4 CC1CC(=O)CCO1 AC220032 [0,0,0,1,0,0|1,0,0]=2 58 B8R1.4 CC1CCCC(C)N1 HY-B1191 [0,0,0,1,0,0|1,0,1]=3 59 B8R1.4 CC1CCCC(N)C1 AC050625 [0,0,0,1,0,0|1,0,1]=3 60 B8R1.4 CC1CNCC(C)N1 AC500169 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.4 CN1CCC=C(Br)C1 AC160405 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.4 CN1CCCC(=O)C1 AC182125 [0,0,0,1,0,0|1,0,0]=2 63 B8R1.4 CN1CCCC(N)C1 AC190086 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.4 CN1CCNC(=O)C1 AC182677 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.4 CN1CCOC(=O)C1 AC170002 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.4 NC1CCCC(O)C1 AC310112 [0,0,0,1,0,0|1,0,2]=4 67 B8R1.4 O=C1CCCC(=O)C1 AC510798 [0,0,0,1,0,0|1,0,1]=3 68 B8R1.4 OC1CCNC(=O)C1 AC182440 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.7 CC(=O)C1=NCCS1 AC180880 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.7 CC(=O)C1CCCC1 AC512080 [0,0,0,1,0,0|0,0,0]=1 71 B8R1.7 CC(=O)C1CCOC1 AC220028 [0,0,0,1,0,0|1,0,0]=2 72 B8R1.7 CN(C)[C@@H]1CCNC1 AC180857 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.7 CN(C)[C@H]1CCNC1 AC180858 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.7 NC(=O)[C@@H]1CCCN1 AC180093 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.7 OB(O)C1CCCC1 AC090189 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.7 OC(=O)C1=CCCC1 AC120012 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.7 OC(=O)C1CC=CC1 AC180693 [0,0,0,1,0,0|1,0,2]=4 78 B8R1.7 OC(=O)C1CCCC1 AC180019 [0,0,0,1,0,0|1,0,0]=2 79 B8R1.7 OC(=O)C1CCCC1 AC500306 [0,0,0,1,0,0|1,0,0]=2 80 B8R1.7 OC(=O)C1CCCO1 AC511285 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.7 OC(=O)C1CCCS1 AC040081 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.7 OC(=O)C1CCOC1 AC190250 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.7 OC(=O)C1CSSC1 AC020754 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.7 OC(=O)C1CSSC1 HY-50730 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.7 OC(=O)[C@@H]1CCCO1 AC190278 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.7 OC(=O)[C@@H]1CCNC1 AC182243 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.7 OC(=O)[C@H]1CCNC1 AC182027 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.7 [S-]C(=S)N1CCCC1 HY-18738 [0,0,0,1,0,0|2,1,0]=4 89 B8R1.22 C1CNCCN=C1O LN00119415 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.22 CC1CCCCCN1 LN00112400 [0,0,0,1,0,0|1,0,1]=3 91 B8R1.22 CC1CCCCNC1 LN00001181 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.22 CC1CNCCCO1 LN00001905 [0,0,0,1,0,0|1,0,2]=4 93 B8R1.22 NC1CCCCNC1 AC181454 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.22 O=C1CCCCC=C1 AC510631 [0,0,0,1,0,0|0,0,2]=3 95 B8R1.22 O=C1CCCNCC1 AC170015 [0,0,0,1,0,0|1,0,0]=2 96 B8R1.22 O=C1CCNCCN1 AC182497 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.22 O=C1CNCCCN1 AC182793 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.34 OC(=O)CC1CCC1 AC050613 [0,0,0,1,0,0|1,0,0]=2 99 B8R1.72 CC1(C)CCNCC1 AC511246 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.72 CC1(O)CCNCC1 AC020360 [0,0,0,1,0,0|1,0,2]=4 101 B8R1.72 CC1(O)CCNCC1 AC220196 [0,0,0,1,0,0|1,0,2]=4 102 B8R1.72 O=S1(=O)CCNCC1 AC500072 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.72 O=S1(=O)CCNCC1 AC511235 [0,0,0,1,0,0|3,0,0]=4 104 B5R0.1 CC(=O)CC#N AC511126 [2,0,0,0,0,0|1,0,1]=4 105 B5R0.1 CCCC([O-])=O HY-B0350A [2,0,0,0,0,0|1,0,0]=3 106 B5R0.1 CCOC(C)=N AC510695 [2,0,0,0,0,0|2,0,0]=4 107 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|2,0,0]=4 108 B5R0.1 CNCC(O)=O AC500168 [2,0,0,0,0,0|2,0,0]=4 109 B5R0.1 NCCC(N)=O AC510910 [2,0,0,0,0,0|2,0,0]=4 110 B5R0.2 BrCCCC=C AC500173 [2,0,0,0,0,0|1,0,1]=4 111 B5R0.2 C(CCI)CCl LN00199790 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.2 CNCCCO AC510766 [2,0,0,0,0,0|1,0,1]=4 113 B5R0.2 NCCCCBr AC511924 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.2 NCCCCO AC180225 [2,0,0,0,0,0|1,0,1]=4 115 B5R0.2 OCCCCBr AC030135 [2,0,0,0,0,0|1,0,1]=4 116 B7R0.2 CC[C@H](C)CC(O)=O AC181465 [1,1,0,0,0,0|1,0,0]=3 117 B7R0.3 COC(=O)CCCBr AC511051 [1,1,0,0,0,0|1,0,0]=3 118 B7R0.3 COC(=O)CCCN AC510644 [1,1,0,0,0,0|1,0,0]=3 119 B7R0.5 CCC[C@H](N)C(O)=O AC180580 [1,1,0,0,0,0|1,0,0]=3 120 B7R0.5 COC[C@@H](N)C(O)=O AC021210 [1,1,0,0,0,0|2,0,0]=4 121 B7R0.5 COC[C@H](N)C(O)=O AC511991 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.5 NC(CCO)C(O)=O AC511583 [1,1,0,0,0,0|2,0,0]=4 123 B7R0.5 NCCC(N)C(O)=O AC511576 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.5 NCC[C@H](N)C(O)=O HY-101414 [1,1,0,0,0,0|2,0,0]=4 125 B7R0.5 NCC[C@H](O)C(O)=O AC181087 [1,1,0,0,0,0|2,0,0]=4 126 B7R0.5 N[C@@H](CCO)C(O)=O AC180567 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.6 CC(=O)CCC(C)=O AC130061 [1,1,0,0,0,0|0,0,1]=3 128 B7R0.6 CC(C)NNC(C)=O AC021553 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.6 CN(C)CCC(O)=O AC511515 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.1 COCCOCCN AC511654 [1,1,0,0,0,0|2,0,0]=4 131 B7R0.1 NCCCCCCO AC511691 [1,1,0,0,0,0|0,0,2]=4 132 B7R0.1 OCCCCCC#C AC510906 [1,1,0,0,0,0|0,0,2]=4 133 B7R0.7 CCCC(O)COC AC010185 [1,1,0,0,0,0|1,0,0]=3 134 B7R0.7 COCC(N)COC AC511941 [1,1,0,0,0,0|2,0,0]=4 135 B9R0.6 CCOC(=O)C(C)C(=O)C LN00008899 [0,2,0,0,0,0|1,0,1]=4 136 B9R0.6 CCOC(=O)C(C)C(C)=O AC511841 [0,2,0,0,0,0|1,0,1]=4 137 B9R0.6 CCOC(=O)C(Cl)C(C)=O AC510869 [0,2,0,0,0,0|1,0,1]=4 138 B9R0.34 CCOC(=O)CC(=O)CBr AC130161 [0,2,0,0,0,0|1,0,1]=4 139 B9R0.34 CCOC(=O)CC(=O)CC AC511712 [0,2,0,0,0,0|1,0,1]=4 140 B9R0.34 CCOC(=O)CC(=O)CCl AC130329 [0,2,0,0,0,0|1,0,1]=4 141 B9R0.53 CC(C)C[C@@H](CC(=O)O)N LN01366893 [0,2,0,0,0,0|1,0,0]=3 142 B9R0.53 CC(C)C[C@@H](CC(=O)O)N LN01805687 [0,2,0,0,0,0|1,0,0]=3 143 B9R0.53 CC(C)C[C@H](CC(=O)O)N LN01375698 [0,2,0,0,0,0|1,0,0]=3 144 B9R0.5 CCOC(=O)CCCCBr AC511147 [0,2,0,0,0,0|1,0,0]=3 145 B9R0.5 CCOC(=O)COCCCl AC512070 [0,2,0,0,0,0|2,0,0]=4 146 B9R0.8 CCCCC(Br)C(=O)OC AC021420 [0,2,0,0,0,0|0,0,0]=2 147 B9R0.46 COC(=O)CCCCCN AC511582 [0,2,0,0,0,0|0,0,0]=2 148 B9R0.47 CC(=C)C(=O)NCCCN AC180639 [0,2,0,0,0,0|2,0,0]=4 149 B9R0.47 CCCCC[C@H](N)C(O)=O AC512037 [0,2,0,0,0,0|1,0,0]=3 150 B9R0.47 NCCCC[C@@H](N)C(O)=O AC180292 [0,2,0,0,0,0|1,0,0]=3 151 B9R0.47 NCCOC[C@H](N)C(O)=O HY-U00097 [0,2,0,0,0,0|2,0,0]=4 152 B9R0.2 CC(=O)NCCCCCN HY-101403 [0,2,0,0,0,0|0,0,0]=2 153 B9R0.2 NCCCCCCC(O)=O AC180226 [0,2,0,0,0,0|1,0,0]=3 154 B9R0.48 CCOC(=O)CCC(C)=O AC510825 [0,2,0,0,0,0|0,0,1]=3 155 B9R0.55 CC(=O)NCCCC(O)=O HY-101411 [0,2,0,0,0,0|1,0,1]=4 156 B9R0.43 CCN(CC)CCC(C)=O AC280069 [0,2,0,0,0,0|1,0,0]=3 157 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282 [0,2,0,0,0,0|2,0,0]=4 158 B9R0.56 CC(=O)SCC[N+](C)(C)C AC290020 [0,2,0,0,0,0|2,0,0]=4 159 B9R0.56 CC(N)CCCC(C)(C)O HY-B1231 [0,2,0,0,0,0|0,0,2]=4 160 B7R1.2 C1[C@H](COC1=O)N LN00239300 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.2 N[C@@H]1CNC(=O)C1 AC190037 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.2 O=C1CCC(=O)C1 AC170075 [1,0,0,1,0,0|1,0,1]=4 163 B7R1.2 O[C@@H]1CNC(=O)C1 AC180993 [1,0,0,1,0,0|2,0,0]=4 164 B7R1.3 C=C1CCNCC1 AC050993 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.3 C=C1CCNCC1 AC220141 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.3 C=C1CCOCC1 AC220043 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.3 CC1=CCCCC1 AC220166 [1,0,0,1,0,0|1,0,0]=3 168 B7R1.3 CC1=CCNCC1 AC250025 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.3 CC1=CCOCC1 AC220042 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.3 NN1CCCCC1 AC160501 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.3 NN1CCCCC1 AC510696 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.3 O=C1CCCOC1 AC220056 [1,0,0,1,0,0|1,0,0]=3 173 B7R1.3 O=C1CCOCC1 AC180169 [1,0,0,1,0,0|1,0,0]=3 174 B7R1.3 O=C1CCSCC1 AC180170 [1,0,0,1,0,0|1,0,0]=3 175 B7R1.3 O=C1CNCCN1 AC181220 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.3 O=C1COCCN1 AC130162 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.10 O=C1CC(C1)C#N AC200074 [1,0,0,1,0,0|1,0,1]=4 178 B7R1.12 C1C(C1F)C(=O)O LN00218531 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LN00204303 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.12 C1[C@H]([C@H]1F)C(=O)O LN00111579 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.12 OC(=O)[C@H]1C[C@@H]1F AC050918 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.18 NC(=O)C1CCC1 AC180388 [1,0,0,1,0,0|1,0,0]=3 183 B7R1.18 NC(=O)C1CNC1 AC070069 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.18 OC(=O)C1CCC1 AC131374 [1,0,0,1,0,0|1,0,0]=3 185 B7R1.18 OC(=O)C1CCN1 AC180596 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.18 OC(=O)C1COC1 AC511276 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.1 BrCC1CCCC1 AC511868 [1,0,0,1,0,0|1,0,1]=4 188 B7R1.1 BrCC1CCOC1 AC220023 [1,0,0,1,0,0|2,0,0]=4 189 B7R1.1 C1CCC(C1)C=O LN00189003 [1,0,0,1,0,0|0,0,0]=2 190 B7R1.1 C1CNCC1CO LN00335121 [1,0,0,1,0,0|2,0,0]=4 191 B7R1.1 C1COCC1CO LN00009482 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.1 CN[C@@H]1CCNC1 LN01743108 [1,0,0,1,0,0|2,0,0]=4 193 B7R1.1 COC1CCNC1 LN00159339 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.1 ClCC1CCOC1 AC220022 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.1 ICC1CCOC1 AC220024 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.1 NCC1CCCC1 AC050593 [1,0,0,1,0,0|1,0,1]=4 197 B7R1.1 NNC1CCCC1 AC050475 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.1 NNC1CCCC1 AC050611 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.1 O=CC1CCCC1 AC020554 [1,0,0,1,0,0|0,0,0]=2 200 B7R1.1 O=CC1CCOC1 AC220027 [1,0,0,1,0,0|1,0,0]=3 201 B7R1.1 OCC1CC=CC1 AC181767 [1,0,0,1,0,0|1,0,1]=4 202 B7R1.1 OCC1CCCC1 AC180018 [1,0,0,1,0,0|0,0,2]=4 203 B7R1.1 OCC1CCOC1 AC220020 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.4 BrC1CCOC1=O AC130063 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.4 C[C@H]1CCC[C@@H]1O LN00004654 [1,0,0,1,0,0|0,0,2]=4 206 B7R1.4 C[C@H]1CCC[C@H]1O LN00004778 [1,0,0,1,0,0|0,0,2]=4 207 B7R1.4 NN1CCCC1=O AC050447 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.4 N[C@@H]1CCOC1=O AC511454 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.4 N[C@H]1CCOC1=O AC511602 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.4 N[C@H]1CCSC1=O HY-101404A [1,0,0,1,0,0|2,0,0]=4 211 B7R1.4 O[C@H]1CCNC1=O AC182048 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.24 C1CNCCOC1 AC050170 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.24 C1CNCCOC1 LN00001820 [1,0,0,1,0,0|2,0,0]=4 214 B9R1.13 C1C[C@@H](CC(=O)O)NC1 LN00338388 [0,1,0,1,0,0|1,0,0]=3 215 B9R1.13 C1C[C@@H](CC(=O)O)NC1 LN01365844 [0,1,0,1,0,0|1,0,0]=3 216 B9R1.13 C1C[C@H](CC(=O)O)NC1 LN02056031 [0,1,0,1,0,0|1,0,0]=3 217 B9R1.13 CC(=O)NC1CCCC1 AC050483 [0,1,0,1,0,0|0,0,0]=2 218 B9R1.13 CN(C)CC1CCCO1 AC050502 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.13 OC(=O)CC1CCCC1 AC500174 [0,1,0,1,0,0|1,0,0]=3 220 B9R1.13 OC(=O)CN1CCCC1 AC190107 [0,1,0,1,0,0|1,0,0]=3 221 B9R1.13 OC(=O)CN1CCCC1 AC512039 [0,1,0,1,0,0|1,0,0]=3 222 B9R1.41 CN1CCC[C@@H]1C(O)=O AC170043 [0,1,0,1,0,0|1,0,0]=3 223 B9R1.41 CN1CCC[C@@H]1C(O)=O AC170136 [0,1,0,1,0,0|1,0,0]=3 224 B9R1.41 CN1CCC[C@H]1C(O)=O AC180772 [0,1,0,1,0,0|1,0,0]=3 225 B9R1.48 O=C1CCCCC(=O)C1 AC181368 [0,1,0,1,0,0|0,0,1]=3 226 B9R1.66 CC1(C)CC(=O)CCO1 AC050266 [0,1,0,1,0,0|1,0,0]=3 227 B9R1.1 COC1CCC(=O)CC1 AC511834 [0,1,0,1,0,0|1,0,0]=3 228 B9R1.1 O=C1CCC(CC1)C#N AC050515 [0,1,0,1,0,0|1,0,1]=4 229 B9R1.2 CN1CCC[C@@H](CO)C1 AC020589 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.2 CN1CCC[C@H](CO)C1 AC020588 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.5 CC1CCNCCC1=O LN00001918 [0,1,0,1,0,0|1,0,0]=3 232 B9R1.5 NC1CCCCNC1=O AC021266 [0,1,0,1,0,0|1,0,0]=3 233 B9R1.5 NC1CCCCNC1=O AC180582 [0,1,0,1,0,0|1,0,0]=3 234 B9R1.5 N[C@@H]1CCCCNC1=O AC180246 [0,1,0,1,0,0|1,0,0]=3 235 B9R1.5 N[C@H]1CCCCNC1=O AC180583 [0,1,0,1,0,0|1,0,0]=3 236 B9R1.11 COC(=O)C1=CCCC1 AC180978 [0,1,0,1,0,0|0,0,2]=4 237 B9R1.11 COC(=O)C1CC=CC1 AC181768 [0,1,0,1,0,0|0,0,2]=4 238 B9R1.11 COC(=O)C1CCCN1 AC511091 [0,1,0,1,0,0|1,0,0]=3 239 B9R1.11 COC(=O)C1CCNC1 AC170011 [0,1,0,1,0,0|1,0,0]=3 240 B9R1.11 COC(=O)C1CCOC1 AC220026 [0,1,0,1,0,0|1,0,0]=3 241 B9R1.11 COC(=O)[C@@H]1CCNC1 AC020253 [0,1,0,1,0,0|1,0,0]=3 242 B9R1.11 COC(=O)[C@H]1CCCN1 AC021038 [0,1,0,1,0,0|1,0,0]=3 243 B9R1.49 CN1CCCC(=O)CC1 AC182168 [0,1,0,1,0,0|1,0,0]=3 244 B9R1.49 CN1CCNC(=O)CC1 AC182365 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.50 O=C1CCCCCCC1 AC510797 [0,1,0,1,0,0|0,0,0]=2 246 B9R1.89 OC[C@@H]1CCCCCN1 AC020186 [0,1,0,1,0,0|1,0,1]=4 247 B9R1.132 CN1C(CO)CCC1=O AC160593 [0,1,0,1,0,0|1,0,0]=3 248 B9R1.132 CN1CCC(CO)C1=O AC512125 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.6 C1CNC(CN1)C(=O)O LN00009512 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.6 CC(=O)C1CCCCC1 AC510963 [0,1,0,1,0,0|0,0,0]=2 251 B9R1.6 CC(=O)C1CCOCC1 AC220050 [0,1,0,1,0,0|0,0,0]=2 252 B9R1.6 CC(=O)N1CCNCC1 AC500200 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.6 CC(N)C1CCOCC1 AC220053 [0,1,0,1,0,0|1,0,1]=4 254 B9R1.6 CC(O)C1CCOCC1 AC220054 [0,1,0,1,0,0|0,0,2]=4 255 B9R1.6 CN(C)C1CCNCC1 AC180358 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.6 CN(C)C1CCNCC1 AC180400 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.6 CN(C)C1CCOCC1 AC220049 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.6 ClC(=O)C1CCOCC1 AC220193 [0,1,0,1,0,0|1,0,0]=3 259 B9R1.6 ClC(=O)N1CCCCC1 AC100058 [0,1,0,1,0,0|1,0,0]=3 260 B9R1.6 NC(=O)C1CCCNC1 AC180121 [0,1,0,1,0,0|1,0,0]=3 261 B9R1.6 NC(=O)C1CCNCC1 AC511687 [0,1,0,1,0,0|1,0,0]=3 262 B9R1.6 NC(=O)C1CCOCC1 AC220035 [0,1,0,1,0,0|1,0,0]=3 263 B9R1.6 OC(=O)C1CCCCC1 AC190179 [0,1,0,1,0,0|1,0,0]=3 264 B9R1.6 OC(=O)C1CCCCN1 AC130051 [0,1,0,1,0,0|1,0,0]=3 265 B9R1.6 OC(=O)C1CCCCN1 AC510756 [0,1,0,1,0,0|1,0,0]=3 266 B9R1.6 OC(=O)C1CCCCO1 AC170058 [0,1,0,1,0,0|1,0,0]=3 267 B9R1.6 OC(=O)C1CCCOC1 AC170092 [0,1,0,1,0,0|1,0,0]=3 268 B9R1.6 OC(=O)C1CCNCC1 AC180124 [0,1,0,1,0,0|1,0,0]=3 269 B9R1.6 OC(=O)C1CCOCC1 AC180391 [0,1,0,1,0,0|1,0,0]=3 270 B9R1.6 OC(=O)C1CNCCN1 AC180739 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.6 OC(=O)C1COCCN1 AC170096 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.6 OC(=O)[C@@H]1CCC=CC1 AC310100 [0,1,0,1,0,0|1,0,1]=4 273 B9R1.6 OC(=O)[C@@H]1CNCCN1 AC020777 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.6 OC(=O)[C@@H]1COCCN1 AC181656 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.6 OC(=O)[C@H]1CCC=CC1 AC310113 [0,1,0,1,0,0|1,0,1]=4 276 B9R1.6 OC(=O)[C@H]1CCCCN1 AC180578 [0,1,0,1,0,0|1,0,0]=3 277 B9R1.6 OC(=O)[C@H]1CNCCN1 AC181744 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.84 OC(=O)CCN1CCC1 AC051164 [0,1,0,1,0,0|1,0,0]=3 279 B9R1.35 CC(C)[C@@H]1COC(=O)N1 AC180616 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.35 CC(C)[C@H]1COC(=O)N1 AC180263 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.35 CN1CCC(C1)C(O)=O AC182036 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.35 OC(=O)C1CCC(=O)C1 AC160621 [0,1,0,1,0,0|1,0,1]=4 283 B9R1.35 O[C@@H]1CN[C@H](C1)C(O)=O AC182277 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.35 O[C@H]1CN[C@H](C1)C(O)=O AC020366 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.110 NC(C1CCC1)C(O)=O AC050494 [0,1,0,1,0,0|1,0,0]=3 286 B9R1.110 N[C@H](C1CCC1)C(O)=O AC050744 [0,1,0,1,0,0|1,0,0]=3 287 B9R1.163 C1CCC(C1)(C(=O)O)O LN00159103 [0,1,0,1,0,0|1,0,0]=3 288 B9R1.163 C1COCC1(C(=O)O)N LN00170684 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.163 C[C@@]1(CCCN1)C(=O)O LN00231771 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.163 C[C@@]1(CCCN1)C(O)=O AC021002 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.163 C[C@]1(CCCN1)C(O)=O AC020387 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.163 C[C@]1(CCCN1)C(O)=O AC021246 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.163 NC1(CCCC1)C(O)=O AC511825 [0,1,0,1,0,0|1,0,0]=3 294 B9R1.163 NC1(CCNC1)C(O)=O AC021073 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.10 NC1CCS(=O)(=O)CC1 AC182634 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.10 OC1CCS(=O)(=O)CC1 AC511902 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.82 COC(=O)C1CC(=O)C1 AC510932 [0,1,0,1,0,0|1,0,1]=4