0 B5R0.2 C#CCCCI C78094 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 C#CCCCN 72839 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C#CCOCC C90311 [0,0,0,0,0,0|1,1,2]=4 3 B5R0.2 C=CCCNC W16107 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 CCCCON 31644 [0,0,0,0,0,0|2,1,0]=3 5 B5R0.2 CNOCCN D97505 [0,0,0,0,0,0|2,1,0]=3 6 B5R0.2 COCCCO D77912 [0,0,0,0,0,0|2,1,0]=3 7 B5R0.2 NCCCCCl F19552 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.2 NNCCCO AB9423 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.2 O=CCCCO 55817 [0,0,0,0,0,0|4,0,0]=4 10 B4R0.2 BrCCCBr D77913 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.2 C#CCCCl C77663 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.2 C#CCCI AC1965 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.2 C#CCCN 31177 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 C#CCCN 68194 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.2 CCCCN T70838 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.2 CCONC AT14498 [1,0,0,0,0,0|1,1,0]=3 17 B4R0.2 COCCI A50601 [1,0,0,0,0,0|1,1,0]=3 18 B4R0.2 CSCCN D73275 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.2 NCCCF 61303 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.2 NCCCN T70045 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.2 NCCCS A11074 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.2 OCCCO D77845 [1,0,0,0,0,0|2,1,0]=4 23 B4R0.2 OCCCS D78398 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.2 SCCCBr 77989 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.1 CCC[C@@H](Br)CC D78429 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.1 CCC[C@H](N)CO C13482 [0,1,0,0,0,0|3,0,0]=4 27 B6R0.1 CCO[C@@H](C)CO 91003 [0,1,0,0,0,0|2,1,0]=4 28 B6R0.1 CC[C@H](S)CCO D84734 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.1 CNC(=O)CCN C75423 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.1 CNC(=O)CCO AC6610 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.1 CNC(=O)CCS A11187 [0,1,0,0,0,0|3,0,0]=4 32 B6R0.1 COC[C@@H](O)CN 94767 [0,1,0,0,0,0|2,1,0]=4 33 B6R0.4 C=C(C)CCCBr 71968 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.4 CC(=O)CCCBr 25631 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.4 CC(=O)OCCN W11955 [0,1,0,0,0,0|2,1,0]=4 36 B6R0.4 CC(C)CCC=O 31143 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.4 CC(C)OCCBr 33996 [0,1,0,0,0,0|2,1,0]=4 38 B6R0.4 CC(C)OCCN T71353 [0,1,0,0,0,0|2,1,0]=4 39 B6R0.4 CCOC[C@H](C)N 75202 [0,1,0,0,0,0|1,1,0]=3 40 B6R0.4 C[C@H](Cl)CCCCl A11066 [0,1,0,0,0,0|3,0,0]=4 41 B6R0.6 BrCCNCCBr 35649 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.6 C#CCCCCI C74272 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.6 C#CCCCCN 79352 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.6 CC#CCCCO W16152 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.6 CCOCCCBr A11082 [0,1,0,0,0,0|1,1,0]=3 46 B6R0.6 CCOCCON W15834 [0,1,0,0,0,0|2,1,0]=4 47 B6R0.6 CC\C=C/CCI 98107 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.6 CNCC#CCO 68302 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.6 CNCCCCBr C74879 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.6 CNCCCCN D80538 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.6 ClCCOCCI 12079 [0,1,0,0,0,0|2,1,0]=4 52 B6R0.6 N#CCCCCBr D77353 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.6 NCCCCCBr 97997 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.6 NCCNCCN D81398 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.6 OCCCCCO D77911 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.6 OCCOCCF AT25497 [0,1,0,0,0,0|2,1,0]=4 57 B6R1.1 C1CCNNC1 71659 [0,0,0,1,0,0|2,0,0]=3 58 B6R1.2 C[C@H]1CCNC1 69327 [0,0,0,1,0,0|2,0,0]=3 59 B6R1.2 C[C@H]1CCSC1 70016 [0,0,0,1,0,0|1,0,0]=2 60 B6R1.2 Cl[C@H]1CCNC1 W15835 [0,0,0,1,0,0|3,0,0]=4 61 B6R1.2 Cl[C@H]1CCOC1 N12419 [0,0,0,1,0,0|2,1,0]=4 62 B6R1.2 F[C@H]1CCNC1 P10396 [0,0,0,1,0,0|3,0,0]=4 63 B6R1.2 F[C@H]1CCNC1 P10397 [0,0,0,1,0,0|3,0,0]=4 64 B6R1.2 I[C@H]1CCOC1 37310 [0,0,0,1,0,0|2,1,0]=4 65 B6R1.2 I[C@H]1CCOC1 37311 [0,0,0,1,0,0|2,1,0]=4 66 B6R1.2 NN1CCCC1 F13227 [0,0,0,1,0,0|3,0,0]=4 67 B6R1.2 NN1CCCC1 S12058 [0,0,0,1,0,0|3,0,0]=4 68 B6R1.2 N[C@H]1CCSC1 70834 [0,0,0,1,0,0|2,0,0]=3 69 B6R1.2 O[C@H]1CCSC1 50208 [0,0,0,1,0,0|2,0,0]=3 70 B6R1.2 O[C@H]1CNOC1 31712 [0,0,0,1,0,0|2,1,0]=4 71 B6R1.3 BrC#CC1CC1 31752 [0,0,0,1,0,0|3,0,0]=4 72 B6R1.3 BrCCC1CC1 32177 [0,0,0,1,0,0|3,0,0]=4 73 B6R1.3 BrCC[C@H]1CO1 F20905 [0,0,0,1,0,0|2,1,0]=4 74 B6R1.3 C#CCC1CC1 70830 [0,0,0,1,0,0|2,0,1]=4 75 B6R1.3 CNCC1CC1 P11100 [0,0,0,1,0,0|2,0,0]=3 76 B6R1.3 ICCC1CC1 73383 [0,0,0,1,0,0|3,0,0]=4 77 B6R1.3 NNCC1CC1 P11241 [0,0,0,1,0,0|3,0,0]=4 78 B6R1.3 NOCC1CC1 59190 [0,0,0,1,0,0|2,1,0]=4 79 B6R1.3 O=CCC1CC1 P10743 [0,0,0,1,0,0|3,0,0]=4 80 B6R1.4 CC1NCC1F P20228 [0,0,0,1,0,0|3,0,0]=4 81 B6R1.4 CC1OCC1O P16543 [0,0,0,1,0,0|2,1,0]=4 82 B6R1.4 C[C@H]1CCC1=O W18267 [0,0,0,1,0,0|3,0,0]=4 83 B6R1.4 C[C@H]1CNC1=O P20594 [0,0,0,1,0,0|3,0,0]=4 84 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [0,0,0,1,0,0|3,0,0]=4 85 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [0,0,0,1,0,0|3,0,0]=4 86 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [0,0,0,1,0,0|3,0,0]=4 87 B6R1.6 BrC[C@H]1CCO1 28585 [0,0,0,1,0,0|2,1,0]=4 88 B6R1.6 BrC[C@H]1CCO1 D97141 [0,0,0,1,0,0|2,1,0]=4 89 B6R1.6 BrC[C@H]1CCO1 P21121 [0,0,0,1,0,0|2,1,0]=4 90 B6R1.6 CNC1CCC1 20929 [0,0,0,1,0,0|2,0,0]=3 91 B6R1.6 CSC1CNC1 37205 [0,0,0,1,0,0|2,0,0]=3 92 B6R1.6 FCC1CNC1 86811 [0,0,0,1,0,0|3,0,0]=4 93 B6R1.6 NCC1CNC1 26899 [0,0,0,1,0,0|3,0,0]=4 94 B6R1.6 NC[C@H]1CCN1 20184 [0,0,0,1,0,0|3,0,0]=4 95 B6R1.6 NC[C@H]1CCO1 P20441 [0,0,0,1,0,0|2,1,0]=4 96 B6R1.6 NNC1CCC1 AB1362 [0,0,0,1,0,0|3,0,0]=4 97 B6R1.6 NNC1CCC1 BL010353 [0,0,0,1,0,0|3,0,0]=4 98 B6R1.6 NNC1CSC1 BL010352 [0,0,0,1,0,0|3,0,0]=4 99 B6R1.6 OCC1CNC1 65945 [0,0,0,1,0,0|3,0,0]=4 100 B6R1.6 OC[C@H]1CCN1 36269 [0,0,0,1,0,0|3,0,0]=4 101 B6R1.6 OC[C@H]1CCN1 38353 [0,0,0,1,0,0|3,0,0]=4 102 B6R1.6 OC[C@H]1CCN1 38354 [0,0,0,1,0,0|3,0,0]=4 103 B6R1.6 OC[C@H]1CCO1 26540 [0,0,0,1,0,0|2,1,0]=4 104 B6R1.6 OC[C@H]1CCO1 AT10832 [0,0,0,1,0,0|2,1,0]=4 105 B6R1.6 OC[C@H]1CCO1 P19736 [0,0,0,1,0,0|2,1,0]=4 106 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [0,0,0,1,0,0|3,0,0]=4 107 B3R0.1 CCNN D79778 [2,0,0,0,0,0|2,0,0]=4 108 B3R0.1 CCON C13232 [2,0,0,0,0,0|1,1,0]=4 109 B3R0.1 C[Se][Se]C H10908 [2,0,0,0,0,0|0,2,0]=4 110 B3R0.1 ClCCI T71139 [2,0,0,0,0,0|2,0,0]=4 111 B3R0.1 NCCN A12036 [2,0,0,0,0,0|2,0,0]=4 112 B3R0.1 NCCN T72722 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.1 C=CC[C@H](C)O 71459 [1,1,0,0,0,0|1,0,1]=4 114 B5R0.1 C=CC[C@H](C)O A12634 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.1 CCC[C@H](C)N P14575 [1,1,0,0,0,0|1,0,0]=3 116 B5R0.1 CCC[C@H](C)N Y10887 [1,1,0,0,0,0|1,0,0]=3 117 B5R0.1 CN(C)CCO D93012 [1,1,0,0,0,0|2,0,0]=4 118 B5R0.1 CNCC(F)F D86102 [1,1,0,0,0,0|2,0,0]=4 119 B5R0.1 CNC[C@H](C)O AC1157 [1,1,0,0,0,0|1,0,0]=3 120 B5R0.1 CNC[C@H](C)O N12528 [1,1,0,0,0,0|1,0,0]=3 121 B5R0.1 COC[C@H](C)Br 78860 [1,1,0,0,0,0|0,1,0]=3 122 B5R0.1 COC[C@H](C)N 25526 [1,1,0,0,0,0|0,1,0]=3 123 B5R0.1 COC[C@H](C)N D95458 [1,1,0,0,0,0|0,1,0]=3 124 B5R0.1 COC[C@H](C)N W17998 [1,1,0,0,0,0|0,1,0]=3 125 B5R0.1 C[C@H](N)CC#N 12486 [1,1,0,0,0,0|2,0,0]=4 126 B5R0.1 C[C@H](O)CC#N 87623 [1,1,0,0,0,0|2,0,0]=4 127 B5R0.1 C[C@H](O)CCN 83616 [1,1,0,0,0,0|2,0,0]=4 128 B5R0.1 C[C@H](O)CON O10313 [1,1,0,0,0,0|1,1,0]=4 129 B5R0.1 C[S+](C)CCCl 77752 [1,1,0,0,0,0|1,0,1]=4 130 B5R0.3 CC[C@H](C)CN 88665 [1,1,0,0,0,0|2,0,0]=4 131 B5R0.3 CC[C@H](N)C#N 98383 [1,1,0,0,0,0|2,0,0]=4 132 B5R0.3 CC[PH](=O)CC C77650 [1,1,0,0,0,0|2,0,0]=4 133 B5R0.3 CN[C@@H](C)CO AC8719 [1,1,0,0,0,0|2,0,0]=4 134 B5R0.3 CN[C@@H](C)CO C77593 [1,1,0,0,0,0|2,0,0]=4 135 B5R0.3 CN[C@@H](C)CO D80042 [1,1,0,0,0,0|2,0,0]=4 136 B5R0.3 CN[C@@H](C)CO D80344 [1,1,0,0,0,0|2,0,0]=4 137 B5R0.3 CN[C@@H](C)CO D82586 [1,1,0,0,0,0|2,0,0]=4 138 B5R0.3 COC(=S)SC Y14680 [1,1,0,0,0,0|1,0,1]=4 139 B5R0.3 CO[C@@H](C)CN 91001 [1,1,0,0,0,0|1,1,0]=4 140 B5R0.3 CO[C@@H](C)CO 91002 [1,1,0,0,0,0|1,1,0]=4 141 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,2,0,0,0,0|2,0,0]=4 142 B7R0.2 COC(=O)C[C@H](C)N FD10418 [0,2,0,0,0,0|1,1,0]=4 143 B7R0.2 COC(=O)C[C@H](C)N S11691 [0,2,0,0,0,0|1,1,0]=4 144 B7R0.2 COC(C)CC(C)O 78061 [0,2,0,0,0,0|1,1,0]=4 145 B7R0.3 CNCCC(=O)OC AB11809 [0,2,0,0,0,0|1,1,0]=4 146 B7R0.3 COC(=O)CCCI F19766 [0,2,0,0,0,0|1,1,0]=4 147 B7R0.5 CCCC(Br)C(C)Br D81745 [0,2,0,0,0,0|2,0,0]=4 148 B7R0.5 CCSC(=O)[C@H](C)N C14826 [0,2,0,0,0,0|1,0,1]=4 149 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,2,0,0,0,0|2,0,0]=4 150 B7R0.7 CCC[C@H](N)CCO AT20461 [0,2,0,0,0,0|2,0,0]=4 151 B7R0.7 CCC[C@H](N)CCO I11080 [0,2,0,0,0,0|2,0,0]=4 152 B7R0.7 CCC[C@H](N)CCO N12794 [0,2,0,0,0,0|2,0,0]=4 153 B7R0.7 COC[C@@H](N)CCO AT12992 [0,2,0,0,0,0|1,1,0]=4 154 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [0,2,0,0,0,0|1,1,0]=4 155 B7R0.10 CC[C@H](O)C(=O)OC 98375 [0,2,0,0,0,0|1,1,0]=4 156 B7R0.12 CCN[C@@H](CC)CO 29377 [0,2,0,0,0,0|2,0,0]=4 157 B7R0.4 CC(=O)CCCCBr O11558 [0,2,0,0,0,0|2,0,0]=4 158 B7R0.4 CC(=O)OCCCBr C75766 [0,2,0,0,0,0|1,1,0]=4 159 B7R0.4 CC(C)CCCCBr C74820 [0,2,0,0,0,0|2,0,0]=4 160 B7R0.4 CCCNCC(C)C AC1640 [0,2,0,0,0,0|2,0,0]=4 161 B7R0.4 CN(C)CCCCCl W16936 [0,2,0,0,0,0|2,0,0]=4 162 B7R0.4 C[C@H](Cl)CCCCCl A12620 [0,2,0,0,0,0|2,0,0]=4 163 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [0,2,0,0,0,0|2,0,0]=4 164 B7R0.1 C=CCCCCNC R10008 [0,2,0,0,0,0|2,0,0]=4 165 B7R0.1 CCCNCCCO AB4057 [0,2,0,0,0,0|2,0,0]=4 166 B7R0.1 CNCCOCCO C70229 [0,2,0,0,0,0|1,1,0]=4 167 B7R0.1 COCCOCCI AT13077 [0,2,0,0,0,0|1,1,0]=4 168 B7R0.1 FCCCCCCBr A50948 [0,2,0,0,0,0|2,0,0]=4 169 B7R0.1 NCCCCCCBr D83295 [0,2,0,0,0,0|2,0,0]=4 170 B7R0.1 NCCCCCCS F31196 [0,2,0,0,0,0|2,0,0]=4 171 B7R0.1 NCCCNCCS W12623 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.1 NCCCOCCO W11222 [0,2,0,0,0,0|1,1,0]=4 173 B5R1.1 C1=CCSC1 F20684 [1,0,0,1,0,0|0,0,2]=4 174 B5R1.1 C1CNNC1 26256 [1,0,0,1,0,0|2,0,0]=4 175 B5R1.1 C1COCN1 A51210 [1,0,0,1,0,0|1,1,0]=4 176 B5R1.2 C[C@H]1CCN1 98100 [1,0,0,1,0,0|2,0,0]=4 177 B5R1.2 C[C@H]1CCN1 P21034 [1,0,0,1,0,0|2,0,0]=4 178 B5R1.2 ClC1CCC1 T70092 [1,0,0,1,0,0|2,0,0]=4 179 B5R1.2 ClC1CNC1 37968 [1,0,0,1,0,0|2,0,0]=4 180 B5R1.2 ClC1COC1 CS1986 [1,0,0,1,0,0|1,1,0]=4 181 B5R1.2 FC1CNC1 SC2901 [1,0,0,1,0,0|2,0,0]=4 182 B5R1.2 IC1CCC1 P17114 [1,0,0,1,0,0|2,0,0]=4 183 B5R1.2 NC1CSC1 39038 [1,0,0,1,0,0|1,0,0]=3 184 B5R1.2 SC1CNC1 38596 [1,0,0,1,0,0|2,0,0]=4 185 B5R1.2 SC1COC1 32902 [1,0,0,1,0,0|1,1,0]=4 186 B5R1.3 ICC1CC1 P19124 [1,0,0,1,0,0|2,0,0]=4 187 B5R1.3 NNC1CC1 26649 [1,0,0,1,0,0|2,0,0]=4 188 B5R1.3 NNC1CC1 BL010354 [1,0,0,1,0,0|2,0,0]=4 189 B5R1.4 CC1CC1N 72192 [1,0,0,1,0,0|2,0,0]=4 190 B5R1.4 CC1CC1N 72742 [1,0,0,1,0,0|2,0,0]=4 191 B7R1.1 BrCC1=CCCC1 37275 [0,1,0,1,0,0|2,0,0]=4 192 B7R1.1 BrC[C@H]1CCOC1 84096 [0,1,0,1,0,0|1,1,0]=4 193 B7R1.1 CC[C@H]1CCCN1 F16886 [0,1,0,1,0,0|2,0,0]=4 194 B7R1.1 CC[C@H]1CCNC1 P14869 [0,1,0,1,0,0|2,0,0]=4 195 B7R1.1 CN[C@H]1CCOC1 P18534 [0,1,0,1,0,0|1,1,0]=4 196 B7R1.1 CN[C@H]1CCOC1 P18535 [0,1,0,1,0,0|1,1,0]=4 197 B7R1.1 COC1=CCCC1 D93350 [0,1,0,1,0,0|1,1,0]=4 198 B7R1.1 CO[C@H]1CCNC1 26935 [0,1,0,1,0,0|1,1,0]=4 199 B7R1.1 CO[C@H]1CCNC1 P10862 [0,1,0,1,0,0|1,1,0]=4 200 B7R1.1 FC[C@H]1CCCN1 37688 [0,1,0,1,0,0|2,0,0]=4 201 B7R1.1 FC[C@H]1CCCN1 P11073 [0,1,0,1,0,0|2,0,0]=4 202 B7R1.1 FC[C@H]1CCNC1 P18731 [0,1,0,1,0,0|2,0,0]=4 203 B7R1.1 NCC1CCCC1 P10292 [0,1,0,1,0,0|2,0,0]=4 204 B7R1.1 NC[C@H]1CCCN1 83159 [0,1,0,1,0,0|2,0,0]=4 205 B7R1.1 NC[C@H]1CCCO1 83007 [0,1,0,1,0,0|1,1,0]=4 206 B7R1.1 NC[C@H]1CCCO1 S11127 [0,1,0,1,0,0|1,1,0]=4 207 B7R1.1 NC[C@H]1CCOC1 37316 [0,1,0,1,0,0|1,1,0]=4 208 B7R1.1 NC[C@H]1CCOC1 68891 [0,1,0,1,0,0|1,1,0]=4 209 B7R1.1 NC[C@H]1CCOC1 P12031 [0,1,0,1,0,0|1,1,0]=4 210 B7R1.1 OC[C@H]1CCCO1 66575 [0,1,0,1,0,0|1,1,0]=4 211 B7R1.1 OC[C@H]1CCNC1 24481 [0,1,0,1,0,0|2,0,0]=4 212 B7R1.1 OC[C@H]1CCNC1 29239 [0,1,0,1,0,0|2,0,0]=4 213 B7R1.1 OC[C@H]1CCNC1 30959 [0,1,0,1,0,0|2,0,0]=4 214 B7R1.1 OC[C@H]1CCOC1 37313 [0,1,0,1,0,0|1,1,0]=4 215 B7R1.1 OC[C@H]1CCOC1 37314 [0,1,0,1,0,0|1,1,0]=4 216 B7R1.2 CN1CC[C@H](Br)C1 C14104 [0,1,0,1,0,0|2,0,0]=4 217 B7R1.2 CN1CC[C@H](N)C1 51282 [0,1,0,1,0,0|2,0,0]=4 218 B7R1.2 CN1CC[C@H](N)C1 51289 [0,1,0,1,0,0|2,0,0]=4 219 B7R1.2 CN1CC[C@H](N)C1 FD9067 [0,1,0,1,0,0|2,0,0]=4 220 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,1,0,1,0,0|2,0,0]=4 222 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,1,0,1,0,0|2,0,0]=4 223 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,1,0,1,0,0|2,0,0]=4 224 B7R1.3 CC1=CCNCC1 A11257 [0,1,0,1,0,0|2,0,0]=4 225 B7R1.3 C[C@H]1CCCCN1 C73894 [0,1,0,1,0,0|2,0,0]=4 226 B7R1.3 C[C@H]1CCCNC1 36405 [0,1,0,1,0,0|2,0,0]=4 227 B7R1.3 C[C@H]1CNCCO1 24564 [0,1,0,1,0,0|1,1,0]=4 228 B7R1.3 C[C@H]1CNCCO1 27729 [0,1,0,1,0,0|1,1,0]=4 229 B7R1.3 C[C@H]1CNCCO1 F13460 [0,1,0,1,0,0|1,1,0]=4 230 B7R1.3 C[C@H]1CNCCO1 P11013 [0,1,0,1,0,0|1,1,0]=4 231 B7R1.3 C[C@H]1COCCN1 72593 [0,1,0,1,0,0|1,1,0]=4 232 B7R1.3 F[C@H]1CCCNC1 37161 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.3 F[C@H]1CCCNC1 37162 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.3 N[C@H]1CCCNC1 C72133 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.3 N[C@H]1CCCOC1 F10442 [0,1,0,1,0,0|1,1,0]=4 237 B7R1.3 O=C1CCCCS1 D95162 [0,1,0,1,0,0|1,0,0]=3 238 B7R1.3 O[C@H]1CCCOC1 P10754 [0,1,0,1,0,0|1,1,0]=4 239 B7R1.3 O[C@H]1CCCOC1 P10755 [0,1,0,1,0,0|1,1,0]=4 240 B7R1.3 SC1CCNCC1 39018 [0,1,0,1,0,0|2,0,0]=4 241 B7R1.3 SC1CCOCC1 AT12453 [0,1,0,1,0,0|1,1,0]=4 242 B7R1.3 S[C@H]1CCCNC1 P11853 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.4 CC1CNCC1C P18713 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,1,0,1,0,0|2,0,0]=4 247 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,1,0,1,0,0|1,1,0]=4 252 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,1,0,1,0,0|1,1,0]=4 253 B7R1.4 N[C@H]1CCSC1=O O10218 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.6 CCNC1CCC1 W19308 [0,1,0,1,0,0|2,0,0]=4 255 B7R1.6 CCNC1COC1 32797 [0,1,0,1,0,0|1,1,0]=4 256 B7R1.6 CCOC1CNC1 C16603 [0,1,0,1,0,0|1,1,0]=4 257 B7R1.6 CNCC1COC1 32854 [0,1,0,1,0,0|1,1,0]=4 258 B7R1.6 CNC[C@H]1CCO1 D96714 [0,1,0,1,0,0|1,1,0]=4 259 B7R1.6 COCC1CNC1 36064 [0,1,0,1,0,0|1,1,0]=4 260 B7R1.6 COCC1CNC1 37073 [0,1,0,1,0,0|1,1,0]=4 261 B7R1.6 COC[C@H]1CCN1 38829 [0,1,0,1,0,0|1,1,0]=4 262 B7R1.6 COC[C@H]1CCN1 P15803 [0,1,0,1,0,0|1,1,0]=4 263 B7R1.6 NCCC1CCC1 P10851 [0,1,0,1,0,0|2,0,0]=4 264 B7R1.6 NCCC1COC1 85783 [0,1,0,1,0,0|1,1,0]=4 265 B7R1.6 OCCC1CCC1 32129 [0,1,0,1,0,0|2,0,0]=4 266 B7R1.6 OCCC1CNC1 P16512 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.6 OCCC1COC1 32759 [0,1,0,1,0,0|1,1,0]=4 268 B7R1.6 OCCN1CCC1 70839 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.6 OCC[C@H]1CCO1 P17680 [0,1,0,1,0,0|1,1,0]=4 270 B7R1.8 CN1CC[C@@H]1CN P15857 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.8 CN1CC[C@@H]1CO 63438 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.8 CN1CC[C@@H]1CO AT17142 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.8 CN1CC[C@@H]1CO P18351 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.10 CNC1CC(C)C1 72947 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.10 CNC1CC(O)C1 37731 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.10 CN[C@H]1C[C@@H](O)C1 P13897 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.10 CN[C@H]1C[C@H](O)C1 38892 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.10 COC1CC(N)C1 37221 [0,1,0,1,0,0|1,1,0]=4 279 B7R1.10 COC1CC(O)C1 R10063 [0,1,0,1,0,0|1,1,0]=4 280 B7R1.10 CO[C@H]1C[C@@H](N)C1 39167 [0,1,0,1,0,0|1,1,0]=4 281 B7R1.10 CO[C@H]1C[C@H](N)C1 39168 [0,1,0,1,0,0|1,1,0]=4 282 B7R1.21 CCOC1(O)CC1 O10402 [0,1,0,1,0,0|1,1,0]=4 283 B7R1.22 CNC(=O)C1CC1 F14269 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.25 CCC1(C)CNC1 D79218 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.25 CCC1(F)CNC1 D79682 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.25 CCC1(N)COC1 32880 [0,1,0,1,0,0|1,1,0]=4 287 B7R1.25 CCC1(O)COC1 69107 [0,1,0,1,0,0|1,1,0]=4 288 B7R1.7 BrCC#CC1CC1 32689 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.7 OCCCC1CC1 F52480 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.14 CC1(Br)CCCC1 P19649 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.14 CC1(C)CCCN1 71736 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.14 CC1(C)CCCN1 71895 [0,1,0,1,0,0|2,0,0]=4 293 B7R1.14 CC1(C)CCNC1 28371 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.14 CC1(N)CCCC1 90423 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.14 C[C@]1(F)CCNC1 P15373 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.14 C[C@]1(N)CCOC1 38927 [0,1,0,1,0,0|1,1,0]=4 297 B7R1.14 C[C@]1(O)CCNC1 D96498 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.14 C[C@]1(O)CCOC1 69114 [0,1,0,1,0,0|1,1,0]=4 299 B7R1.18 CC(C)C1CNC1 D79219 [0,1,0,1,0,0|2,0,0]=4 300 B7R1.18 C[C@H](N)C1CCC1 93060 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.18 C[C@H](N)C1CCC1 93062 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.18 C[C@H](O)C1COC1 P18451 [0,1,0,1,0,0|1,1,0]=4 303 B7R1.20 C[C@H](O)CC1CC1 79072 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.24 C1CNCCOC1 80062 [0,1,0,1,0,0|1,1,0]=4 305 B7R1.24 C1SSCSSS1 35121 [0,1,0,1,0,0|2,0,0]=4 306 B7R2.13 C1CC2CC2N1 33368 [0,0,0,2,0,0|2,0,0]=4 307 B7R2.13 C1NCC2CC12 80426 [0,0,0,2,0,0|2,0,0]=4 308 B7R2.11 C1NC2CC1C2 37897 [0,0,0,2,0,0|2,0,0]=4 309 B7R2.16 C1CC12CNC2 87106 [0,0,0,2,0,0|2,0,0]=4