0 B8R0.7 COCCNCC(=O)O W16095 [0,0,0,0,0,0|3,1,0]=4 1 B8R0.7 NCCCCCC(=O)O P19609 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.7 NCCCCCC(N)=O AC6029 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.7 O=C([O-])CCCCCO Y14708 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.1 C=CCCCCNC R10008 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.1 COCOCCC=O 32199 [1,0,0,0,0,0|2,1,0]=4 6 B7R0.4 CC(=O)CCCCBr O11558 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.4 CC(=O)OCCCBr C75766 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.4 CCCOCC(=O)O AC1647 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.4 CCNCCC(N)=O AT24732 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.4 CNCCCC(N)=O 21232 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.4 COCCCC(=O)O 78063 [1,0,0,0,0,0|1,1,0]=3 12 B9R0.2 CCCCCCCC(=O)[O-] F12023 [0,1,0,0,0,0|3,0,0]=4 13 B9R0.2 COCCOCCC(=O)O C70448 [0,1,0,0,0,0|2,1,0]=4 14 B9R0.4 CCCC[C@H](C)OC(=O)Cl S11041 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.4 CSCC[C@H](N)CC(=O)O F12355 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.4 CSCC[C@H](N)CC(=O)O FD10029 [0,1,0,0,0,0|2,0,0]=3 17 B9R0.4 CSCC[C@H](N)CC(=O)O FD10030 [0,1,0,0,0,0|2,0,0]=3 18 B9R0.46 CCNCCCC(=O)OC 72977 [0,1,0,0,0,0|3,0,0]=4 19 B9R0.46 CCOCCOC(=O)CCl D79711 [0,1,0,0,0,0|2,0,0]=3 20 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.55 CC(=O)CCCOC(C)=O D74850 [0,1,0,0,0,0|1,0,0]=2 23 B9R0.55 CC(C)CCCCC(=O)O D95053 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.2 CCN1CCNC(=O)C1 C76051 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.2 CCN1CCNC(=O)C1 F52612 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.2 N#C[C@H]1CCCC(=O)C1 C73416 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.2 N#C[C@H]1CCNC(=O)C1 W16380 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.6 CC(=O)[C@@H]1CNCCO1 90399 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.6 NC(=O)[C@H]1CCCNC1 37191 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.6 NC(=O)[C@H]1CCCNC1 64553 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.6 NC(=O)[C@H]1CCCNC1 69862 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.6 O=C(O)[C@@H]1CSCCN1 66696 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.6 O=C(O)[C@@H]1CSCCN1 77693 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.7 CCC[C@@H]1COC(=O)C1 S10720 [0,0,0,1,0,0|1,0,0]=2 41 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.13 CC(=O)N[C@H]1CCNC1 50522 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.13 CC(=O)O[C@@H]1CCCO1 D94546 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.13 CC(=O)S[C@H]1CCOC1 W16075 [0,0,0,1,0,0|0,2,0]=3 45 B9R1.13 NC(=O)NC1CCCC1 W17339 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.13 O=C(O)C[C@H]1CCNC1 50100 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.13 O=C(O)C[C@H]1CCNC1 P10779 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.13 O=C(O)C[C@H]1CCOC1 68888 [0,0,0,1,0,0|2,1,0]=4 49 B9R1.13 O=C(O)C[C@H]1CCOC1 68890 [0,0,0,1,0,0|2,1,0]=4 50 B9R1.41 CN1CCC[C@H]1C(=O)O C74581 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.48 O=C1CCCNC(=O)C1 F12567 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.50 O=C1NCCCCCN1 W17640 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.67 CC(=O)O[C@H]1CCC1=O P20079 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.84 O=C(O)CCC1CCC1 86885 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.86 CCC1CC1CC(=O)O D79896 [0,0,0,1,0,0|3,0,0]=4 58 B6R0.6 CCOCCCBr A11082 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.4 C=C(C)CCCBr 71968 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.4 CC(=O)CCC=O P17049 [2,0,0,0,0,0|0,1,1]=4 61 B6R0.4 CC(=O)CCCBr 25631 [2,0,0,0,0,0|1,0,0]=3 62 B6R0.4 CC(=O)OCCN W11955 [2,0,0,0,0,0|1,0,0]=3 63 B6R0.4 CCOCC(=O)O D73862 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.4 NC(=O)OCCO A11395 [2,0,0,0,0,0|1,1,0]=4 65 B6R0.4 NCCCC(N)=O C72206 [2,0,0,0,0,0|2,0,0]=4 66 B8R0.5 CCCC(=O)CC(C)=O 79568 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [1,1,0,0,0,0|1,0,0]=3 68 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [1,1,0,0,0,0|2,0,0]=4 70 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [1,1,0,0,0,0|2,0,0]=4 71 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [1,1,0,0,0,0|1,1,0]=4 72 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [1,1,0,0,0,0|1,0,0]=3 73 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [1,1,0,0,0,0|2,0,0]=4 74 B8R0.28 CC(=O)NCCC(C)C S10520 [1,1,0,0,0,0|1,0,0]=3 75 B8R0.28 CC(=O)OCCC(=O)O C77559 [1,1,0,0,0,0|0,1,1]=4 76 B10R0.4 CC(=O)NCCCCCCN D93510 [0,2,0,0,0,0|2,0,0]=4 77 B10R0.55 COC(=O)CCCCC(C)=O F16317 [0,2,0,0,0,0|1,1,0]=4 78 B10R0.74 NCC(=O)NCCCCCBr D84097 [0,2,0,0,0,0|2,0,0]=4 79 B10R0.87 CCCC[C@H](CC)OC(C)=O 73884 [0,2,0,0,0,0|1,0,0]=3 80 B10R0.122 CC(=O)OC(C)(C)CCCO 21251 [0,2,0,0,0,0|2,0,0]=4 81 B10R0.1 CCCC(=O)OCCCSC 73858 [0,2,0,0,0,0|0,0,0]=2 82 B8R1.2 O=CN1CCCCC1 D77795 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.2 O=C[C@H]1CCCOC1 79874 [1,0,0,1,0,0|1,1,0]=4 84 B8R1.5 C[C@H]1CCCCC1=O D77719 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.5 C[C@H]1CCCOC1=O AB4082 [1,0,0,1,0,0|1,0,0]=3 86 B8R1.5 O=C1OCCC[C@@H]1O 27422 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.8 CCO[C@H]1CCNC1 P10149 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.8 O=CCC1CCCC1 F11683 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.10 CCOCC1CNC1 D84845 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.22 C[C@H]1CNCCCO1 72856 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.22 O=C1CCCCCN1 D94502 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.22 O=C1CCCCNC1 50109 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.22 O=C1COCCCN1 71169 [1,0,0,1,0,0|1,1,0]=4 94 B8R1.22 O=C1OCCCCO1 D93115 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [1,0,0,1,0,0|0,0,2]=4 96 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [1,0,0,1,0,0|1,1,0]=4 101 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [1,0,0,1,0,0|1,1,0]=4 102 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [1,0,0,1,0,0|1,1,0]=4 104 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [1,0,0,1,0,0|1,1,0]=4 105 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [1,0,0,1,0,0|1,1,0]=4 106 B8R1.4 CC1=CC(=O)OCC1 D93039 [1,0,0,1,0,0|0,0,2]=4 107 B8R1.4 CN1CCCC(=O)C1 S10664 [1,0,0,1,0,0|1,0,0]=3 108 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [1,0,0,1,0,0|1,0,0]=3 113 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [1,0,0,1,0,0|1,0,0]=3 114 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [1,0,0,1,0,0|1,1,0]=4 117 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [1,0,0,1,0,0|1,1,0]=4 118 B8R1.6 CCCC1CC(=O)C1 D96728 [1,0,0,1,0,0|1,0,0]=3 119 B8R1.6 N#CCC1CC(=O)C1 P15944 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [1,0,0,1,0,0|0,1,0]=3 121 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.7 NC(=O)N1CCCC1 32811 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [1,0,0,1,0,0|1,1,0]=4 126 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [1,0,0,1,0,0|1,1,0]=4 129 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [1,0,0,1,0,0|1,1,0]=4 130 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.34 CC(=O)CC1CCC1 D79207 [1,0,0,1,0,0|1,0,0]=3 134 B8R1.34 CC(=O)CC1COC1 CS1731 [1,0,0,1,0,0|0,1,0]=3 135 B8R1.34 CC(=O)OC1CNC1 C72427 [1,0,0,1,0,0|1,0,0]=3 136 B8R1.34 CC(=O)OC1CNC1 C76369 [1,0,0,1,0,0|1,0,0]=3 137 B8R1.34 O=C(O)CC1CNC1 37024 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.34 O=C(O)CC1COC1 66388 [1,0,0,1,0,0|1,1,0]=4 139 B8R1.34 O=C([O-])CC1COC1 P19943 [1,0,0,1,0,0|1,1,0]=4 140 B10R1.13 CC(=O)N1CCC(Cl)CC1 C73926 [0,1,0,1,0,0|2,0,0]=4 141 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [0,1,0,1,0,0|1,0,0]=3 142 B10R1.18 CC(=O)C=C1CCCCC1 W15953 [0,1,0,1,0,0|2,0,0]=4 143 B10R1.18 CC(=O)CC1CCCCC1 D84585 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.18 CC(=O)NC1CCCCC1 A11899 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.18 CC(=O)N[C@H]1CCCNC1 C77680 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.64 CC(=O)O[C@H]1CCNC1=O W17926 [0,1,0,1,0,0|1,0,1]=4 147 B10R1.78 O=C1CCCCCCCC1 AC8766 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.78 O=C1CCCCCCCN1 D74918 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.348 CC(=O)N1CCCNCC1 W19159 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.209 CS(=O)(=O)OCC1COC1 AB10203 [0,1,0,1,0,0|1,1,0]=4 151 B10R1.281 CS(=O)(=O)O[C@H]1CCOC1 AT26051 [0,1,0,1,0,0|1,1,0]=4 152 B10R1.15 CCC(=O)C1CCCCC1 F53827 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.15 CNC(=O)[C@H]1CCCNC1 D75606 [0,1,0,1,0,0|2,0,0]=4 154 B10R1.15 CNC(=O)[C@H]1CCCNC1 P12591 [0,1,0,1,0,0|2,0,0]=4 155 B10R1.15 CNC(=O)[C@H]1CCCNC1 P12592 [0,1,0,1,0,0|2,0,0]=4 156 B10R1.15 COC(=O)[C@H]1CCCNC1 P10578 [0,1,0,1,0,0|2,0,0]=4 157 B10R1.15 NCC(=O)N1CCCCC1 F21140 [0,1,0,1,0,0|2,0,0]=4 158 B10R1.15 O=C(CBr)N1CCCCC1 S12026 [0,1,0,1,0,0|2,0,0]=4 159 B10R1.15 O=C(CO)C1CCCCC1 D93099 [0,1,0,1,0,0|2,0,0]=4 160 B10R1.27 COC(=O)C[C@H]1CCNC1 11209 [0,1,0,1,0,0|2,0,0]=4 161 B10R1.27 COC(=O)C[C@H]1CCNC1 11210 [0,1,0,1,0,0|2,0,0]=4 162 B10R1.71 O=C1CCC(=O)OCCO1 D93050 [0,1,0,1,0,0|2,0,0]=4 163 B10R1.149 COC(=O)[C@@H]1CCCN1C D94450 [0,1,0,1,0,0|2,0,0]=4 164 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 AT23194 [0,1,0,1,0,0|2,0,0]=4 165 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 P15531 [0,1,0,1,0,0|2,0,0]=4 166 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 P16284 [0,1,0,1,0,0|2,0,0]=4 167 B10R1.113 CC(=O)N1CCCC(=O)C1 F13225 [0,1,0,1,0,0|2,0,0]=4 168 B10R1.363 CC(=O)C1(C)CCCCC1 A11159 [0,1,0,1,0,0|2,0,0]=4 169 B10R1.390 COC[C@]1(C)CNC(=O)C1 AT19128 [0,1,0,1,0,0|1,1,0]=4 170 B10R2.62 O=C1CC2CCC1CC2 91055 [0,0,0,2,0,0|2,0,0]=4 171 B10R2.62 O=C1CC2CCC1CN2 P14923 [0,0,0,2,0,0|2,0,0]=4 172 B10R2.71 O=C1CC2CCC(C1)C2 37889 [0,0,0,2,0,0|2,0,0]=4 173 B10R2.2 O=C1CC2CSCC2C1 38018 [0,0,0,2,0,0|1,0,0]=3 174 B10R2.2 O=C1C[C@H]2CSC[C@@H]2C1 AT14674 [0,0,0,2,0,0|1,0,0]=3 175 B10R2.2 O=C1NC2CCCC2O1 N10687 [0,0,0,2,0,0|2,0,0]=4 176 B10R2.32 O=C1CCC2CNCC12 P10378 [0,0,0,2,0,0|2,0,0]=4 177 B10R2.332 O=C1CC2(CCC2)CN1 D73448 [0,0,0,2,0,0|2,0,0]=4 178 B10R2.332 O=C1CC2(CN1)COC2 84048 [0,0,0,2,0,0|1,1,0]=4 179 B10R2.332 O=C1CC2(CNC2)CN1 F16075 [0,0,0,2,0,0|2,0,0]=4 180 B10R2.332 O=C1CC2(CNC2)CN1 O10622 [0,0,0,2,0,0|2,0,0]=4 181 B10R2.332 O=C1NC2(CCC2)CO1 F31393 [0,0,0,2,0,0|2,0,0]=4 182 B10R2.316 O=C1CC2(CCCC2)C1 P18360 [0,0,0,2,0,0|2,0,0]=4