0 B6R1.2 CC1CCNC1 CDS003772 [0,0,0,0,0,0|2,0,1]=3 1 B6R1.2 CC1NCCS1 CDS001533 [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 CC1SCCS1 CDS001515 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 C[C@@H]1CCNC1 CDS006861 [0,0,0,0,0,0|2,0,1]=3 4 B6R1.2 C[C@H]1CCNC1 CDS009158 [0,0,0,0,0,0|2,0,1]=3 5 B6R1.2 Cl[Sb]1SCCS1 S741698 [0,0,0,0,0,0|4,0,0]=4 6 B6R1.2 O=C1CC=CC1 CDS003851 [0,0,0,0,0,0|0,0,2]=2 7 B6R1.2 O=C1NC=CN1 CBR02030 [0,0,0,0,0,0|2,0,2]=4 8 B6R1.2 O=C1NCCS1 CDS011623 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 OC1CCCO1 CDS007077 [0,0,0,0,0,0|1,0,2]=3 10 B6R1.2 OC1CNOC1 CBR01544 [0,0,0,0,0,0|2,0,2]=4 11 B6R1.2 O[C@H]1CCNC1 CDS003495 [0,0,0,0,0,0|1,0,2]=3 12 B6R1.2 P1(=O)OCCO1 S428957 [0,0,0,0,0,0|3,0,0]=3 13 B5R1.1 C1=CCNC1 ANV00248 [1,0,0,0,0,0|1,0,1]=3 14 B5R1.1 C1=NNCC1 CDS000117 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.1 BrCC1CCCC1 CDS005521 [0,1,0,0,0,0|1,0,1]=3 16 B7R1.1 BrCC1CCCO1 CDS001200 [0,1,0,0,0,0|2,0,1]=4 17 B7R1.1 CC=C1CCCC1 S431559 [0,1,0,0,0,0|1,0,0]=2 18 B7R1.1 CNC1CCCC1 CDS004583 [0,1,0,0,0,0|1,0,1]=3 19 B7R1.1 CN[C@@H]1CCNC1 CDS000051 [0,1,0,0,0,0|2,0,1]=4 20 B7R1.1 CN[C@H]1CCNC1 CDS000053 [0,1,0,0,0,0|2,0,1]=4 21 B7R1.1 COC1=NCCC1 PH000359 [0,1,0,0,0,0|1,0,1]=3 22 B7R1.1 COC1CCNC1 CDS009205 [0,1,0,0,0,0|1,0,2]=4 23 B7R1.1 ClCC1CCOC1 CDS022549 [0,1,0,0,0,0|2,0,1]=4 24 B7R1.1 N1CCN=C1NC S897086 [0,1,0,0,0,0|3,0,0]=4 25 B7R1.1 NCC1CCCC1 SYX00193 [0,1,0,0,0,0|1,0,1]=3 26 B7R1.1 NCC1CCNC1 CDS009628 [0,1,0,0,0,0|2,0,1]=4 27 B7R1.1 O=CC1CCCO1 CDS005466 [0,1,0,0,0,0|1,0,1]=3 28 B7R1.1 OCC1CCCN1 CDS000339 [0,1,0,0,0,0|1,0,2]=4 29 B7R1.2 CC1CCC(N1)C S652032 [0,1,0,0,0,0|2,0,1]=4 30 B7R1.2 CC1CNC(=S)S1 S920002 [0,1,0,0,0,0|2,1,0]=4 31 B7R1.2 CC1COC(=O)C1 PH007953 [0,1,0,0,0,0|1,0,0]=2 32 B7R1.2 CC1COC(=O)N1 CBR01603 [0,1,0,0,0,0|2,0,0]=3 33 B7R1.2 CC1COS(=O)O1 S409928 [0,1,0,0,0,0|3,0,0]=4 34 B7R1.2 CC1OC(=O)CS1 PH007278 [0,1,0,0,0,0|2,0,0]=3 35 B7R1.2 C[C@H]1CC[C@H](N1)C PH016832 [0,1,0,0,0,0|2,0,1]=4 36 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [0,1,0,0,0,0|2,0,0]=3 37 B7R1.2 O=C1C=C(CC1)Cl PH014653 [0,1,0,0,0,0|0,0,2]=3 38 B7R1.2 O=C1C=C(CO1)Br SYX00384 [0,1,0,0,0,0|1,0,2]=4 39 B7R1.2 O=C1CC(CO1)O S672874 [0,1,0,0,0,0|1,0,0]=2 40 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [0,1,0,0,0,0|1,0,0]=2 41 B7R1.2 OC1CCC(O1)O S806188 [0,1,0,0,0,0|1,0,2]=4 42 B7R1.4 CC1=C(CCC1)Br T256854 [0,1,0,0,0,0|1,0,1]=3 43 B7R1.4 CC1=CCCC1O T295310 [0,1,0,0,0,0|1,0,1]=3 44 B7R1.4 CC1CCCC1C R289701 [0,1,0,0,0,0|1,0,1]=3 45 B7R1.4 CC1CCCC1O CDS001174 [0,1,0,0,0,0|0,0,2]=3 46 B7R1.4 CN1CCN=C1N S897663 [0,1,0,0,0,0|3,0,0]=4 47 B7R1.4 CN1CCNC1=O CDS006142 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.4 NC1CCOC1=O CDS012715 [0,1,0,0,0,0|1,0,0]=2 49 B7R1.4 NC1CCSC1=O S784036 [0,1,0,0,0,0|1,0,0]=2 50 B7R1.4 NN1CCOC1=O S462624 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.4 N[C@H]1CCNC1=O CDS010107 [0,1,0,0,0,0|1,0,0]=2 52 B7R1.4 N[C@H]1COC[C@@H]1O CDS019175 [0,1,0,0,0,0|1,0,2]=4 53 B7R1.4 N[C@H]1COC[C@H]1O CBR01676 [0,1,0,0,0,0|1,0,2]=4 54 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [0,1,0,0,0,0|1,0,0]=2 55 B7R1.4 O[C@@H]1CCC=C1Br T262943 [0,1,0,0,0,0|1,0,1]=3 56 B7R1.4 O[C@H]1CNC[C@@H]1O CDS018735 [0,1,0,0,0,0|1,0,2]=4 57 B7R1.14 Br[Se]1(CCCC1)Br S101559 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.14 CC1(CCCN1)C CDS009329 [0,1,0,0,0,0|2,0,1]=4 59 B7R1.14 FC1(CCNC1)F CDS016868 [0,1,0,0,0,0|2,0,1]=4 60 B7R1.14 O=S1(=O)C=CCC1 SYX00239 [0,1,0,0,0,0|1,0,2]=4 61 B7R1.14 O=S1(=O)CCNC1 CDS008503 [0,1,0,0,0,0|2,0,0]=3 62 B5R0.1 C=C(C)CSC S866024 [0,0,1,0,0,0|2,0,0]=3 63 B5R0.1 C=COC(=O)C S458201 [0,0,1,0,0,0|1,0,2]=4 64 B5R0.1 CC(=O)/C=C\N S312274 [0,0,1,0,0,0|1,0,2]=4 65 B5R0.1 CC(=O)CCN OTV000740 [0,0,1,0,0,0|1,0,0]=2 66 B5R0.1 CC(C)CCCl S564524 [0,0,1,0,0,0|2,0,1]=4 67 B5R0.1 CCNC(=N)N PH018983 [0,0,1,0,0,0|3,0,0]=4 68 B5R0.1 CCOC(=S)N PH003667 [0,0,1,0,0,0|2,1,0]=4 69 B5R0.1 CCOC(=S)[S-] R464988 [0,0,1,0,0,0|2,1,0]=4 70 B5R0.1 CCOC(=S)[S-] R533475 [0,0,1,0,0,0|2,1,0]=4 71 B5R0.1 CN(C)CCBr PH011840 [0,0,1,0,0,0|3,0,0]=4 72 B5R0.1 CN(C)CCO S573124 [0,0,1,0,0,0|3,0,0]=4 73 B5R0.1 CNCC(=O)C CBR02406 [0,0,1,0,0,0|1,0,0]=2 74 B5R0.1 CNCC(C)C CDS000422 [0,0,1,0,0,0|2,0,1]=4 75 B5R0.1 COCC(=N)N CBR01671 [0,0,1,0,0,0|3,0,0]=4 76 B5R0.1 COCC(=O)N S371874 [0,0,1,0,0,0|2,0,0]=3 77 B5R0.1 COC[C@@H](C)N CDS023796 [0,0,1,0,0,0|2,0,1]=4 78 B5R0.1 COC[C@H](C)N CDS001149 [0,0,1,0,0,0|2,0,1]=4 79 B5R0.1 CONC(=O)N S802999 [0,0,1,0,0,0|3,0,0]=4 80 B5R0.1 CSCC(=N)N OTV000870 [0,0,1,0,0,0|3,0,0]=4 81 B5R0.1 N=C(N)CCO PH014361 [0,0,1,0,0,0|3,0,0]=4 82 B5R0.1 NCCC(=O)N CDS000027 [0,0,1,0,0,0|2,0,0]=3 83 B5R0.1 O=C(O)C[Hg]Cl S881910 [0,0,1,0,0,0|3,0,0]=4 84 B5R0.2 C#CCSCC R436380 [0,0,1,0,0,0|2,0,1]=4 85 B5R0.2 C(=O)CCC=C CDS000721 [0,0,1,0,0,0|0,0,2]=3 86 B5R0.2 C=CCNCC PH014544 [0,0,1,0,0,0|2,0,0]=3 87 B5R0.2 C=CCSCC S620327 [0,0,1,0,0,0|2,0,0]=3 88 B5R0.2 C=CSCCO PH007226 [0,0,1,0,0,0|3,0,0]=4 89 B5R0.2 CCC/C=N/O S429139 [0,0,1,0,0,0|1,0,2]=4 90 B5R0.2 CCCCSC S447420 [0,0,1,0,0,0|2,0,0]=3 91 B5R0.2 CCCC[Hg]Cl S829617 [0,0,1,0,0,0|2,0,0]=3 92 B5R0.2 CCCNCC CDS000615 [0,0,1,0,0,0|2,0,1]=4 93 B5R0.2 CCCOCC CDS000380 [0,0,1,0,0,0|2,0,1]=4 94 B5R0.2 CCOCCN CDS000379 [0,0,1,0,0,0|2,0,1]=4 95 B5R0.2 CCSCCO PH011451 [0,0,1,0,0,0|1,0,2]=4 96 B5R0.2 CNCCCBr PH013730 [0,0,1,0,0,0|2,0,1]=4 97 B5R0.2 COCCSC S698245 [0,0,1,0,0,0|3,0,0]=4 98 B5R0.2 CSCCC#N T160407 [0,0,1,0,0,0|2,0,1]=4 99 B5R0.3 CCC(=O)CO R277614 [0,0,1,0,0,0|1,0,0]=2 100 B5R0.3 CCC(N)CC TMT00064 [0,0,1,0,0,0|1,0,1]=3 101 B5R0.3 CCC(O)CBr PH018186 [0,0,1,0,0,0|1,0,2]=4 102 B5R0.3 CCC(O)CN CDS000624 [0,0,1,0,0,0|1,0,2]=4 103 B5R0.3 CCN(O)CC S623067 [0,0,1,0,0,0|1,0,1]=3 104 B5R0.3 CC[Tl](Br)CC S837075 [0,0,1,0,0,0|2,0,0]=3 105 B5R0.3 CC[Tl](I)CC S837083 [0,0,1,0,0,0|2,0,0]=3 106 B5R0.3 CNC(=O)CCl OTV000964 [0,0,1,0,0,0|2,0,0]=3 107 B5R0.3 CNC(=O)NN CDS019843 [0,0,1,0,0,0|3,0,0]=4 108 B7R2.13 C1OCC2C1O2 PHB00276 [0,0,0,1,0,0|1,0,2]=4 109 B5R1.2 O=C1CSC1 SYX00053 [0,0,0,0,1,0|1,0,0]=2 110 B7R1.3 BrC1CCSCC1 CBR02203 [0,0,0,0,0,1|1,0,1]=3 111 B7R1.3 CC1=CCCNC1 PHB00292 [0,0,0,0,0,1|1,0,1]=3 112 B7R1.3 CC1=CCNCC1 CBR01822 [0,0,0,0,0,1|1,0,1]=3 113 B7R1.3 CC1=NCCCN1 PH016717 [0,0,0,0,0,1|2,0,0]=3 114 B7R1.3 CC1=NCCCS1 PH000571 [0,0,0,0,0,1|2,0,0]=3 115 B7R1.3 CC1CNCCO1 CDS022716 [0,0,0,0,0,1|2,0,1]=4 116 B7R1.3 CC1NCCCS1 T149675 [0,0,0,0,0,1|2,0,1]=4 117 B7R1.3 IC1=CCCCC1 PH008510 [0,0,0,0,0,1|1,0,0]=2 118 B7R1.3 NC1CCCCC1 S512877 [0,0,0,0,0,1|1,0,1]=3 119 B7R1.3 NC1CCCCC1 S669822 [0,0,0,0,0,1|1,0,1]=3 120 B7R1.3 NC1CCCCC1 S926507 [0,0,0,0,0,1|1,0,1]=3 121 B7R1.3 NC1CCCOC1 CDS009128 [0,0,0,0,0,1|1,0,1]=3 122 B7R1.3 NC1CCOCC1 CDS006264 [0,0,0,0,0,1|1,0,1]=3 123 B7R1.3 O=C1CCCNC1 CDS006090 [0,0,0,0,0,1|0,0,0]=1 124 B7R1.3 O=C1COCCN1 T160245 [0,0,0,0,0,1|1,0,0]=2 125 B7R1.3 O=C1COCCO1 PH009771 [0,0,0,0,0,1|1,0,0]=2 126 B7R1.3 O=C1CSC=CN1 OTV000696 [0,0,0,0,0,1|1,0,2]=4 127 B7R1.3 O=C1CSCCN1 PH010392 [0,0,0,0,0,1|1,0,0]=2 128 B7R1.3 O=C1NCCCN1 S436712 [0,0,0,0,0,1|1,0,0]=2 129 B7R1.3 O=C1NCCCO1 CBR00063 [0,0,0,0,0,1|1,0,0]=2 130 B7R1.3 O=C1OCCCO1 S939668 [0,0,0,0,0,1|1,0,0]=2 131 B7R1.3 O=S1CCCSC1 S885002 [0,0,0,0,0,1|1,0,0]=2 132 B7R1.3 O=S1CCNCC1 CDS019871 [0,0,0,0,0,1|1,0,0]=2 133 B7R1.3 OC1CCCSC1 S461172 [0,0,0,0,0,1|0,0,2]=3 134 B7R1.3 SC1CCNCC1 PHB00269 [0,0,0,0,0,1|0,1,1]=3 135 B7R1.3 SC1CCOCC1 CDS023754 [0,0,0,0,0,1|0,1,1]=3 136 B4R0.1 C=C(C)CN CDS003053 [1,0,1,0,0,0|2,0,0]=4 137 B4R0.1 CC(=O)CN CDS020585 [1,0,1,0,0,0|1,0,0]=3 138 B4R0.1 CCC(=N)N CBR01339 [1,0,1,0,0,0|2,0,0]=4 139 B4R0.1 CCC(=O)[O-] CDS000543 [1,0,1,0,0,0|1,0,0]=3 140 B4R0.1 CCC(=S)N CDS000328 [1,0,1,0,0,0|1,1,0]=4 141 B4R0.1 CNC(=O)Cl CDS009330 [1,0,1,0,0,0|2,0,0]=4 142 B4R0.1 CSC(=O)C CDS001513 [1,0,1,0,0,0|1,0,0]=3 143 B4R0.1 O=C(O)CS CDS000504 [1,0,1,0,0,0|2,0,0]=4 144 B4R0.1 O=C([O-])CO CDS000626 [1,0,1,0,0,0|2,0,0]=4 145 B4R0.2 C=CCCN CDS021978 [1,0,1,0,0,0|1,0,1]=4 146 B4R0.2 CCCC[NH3+] S342920 [1,0,1,0,0,0|1,0,0]=3 147 B4R0.2 CC[PbH2]CC S818542 [1,0,1,0,0,0|1,0,0]=3 148 B4R0.2 NCCCF CDS007794 [1,0,1,0,0,0|2,0,0]=4 149 B4R0.2 OCCCF CDS002969 [1,0,1,0,0,0|1,0,1]=4 150 B4R0.2 SCCCN OTV000791 [1,0,1,0,0,0|1,1,0]=4 151 B6R0.1 C=C(CO)CCO T293814 [0,1,1,0,0,0|2,0,0]=4 152 B6R0.1 CC/C=C(\C)/CC R289574 [0,1,1,0,0,0|1,0,1]=4 153 B6R0.1 CC/C=C(\C)/CC R289582 [0,1,1,0,0,0|1,0,1]=4 154 B6R0.1 CC/C=C(\C)/CO S888702 [0,1,1,0,0,0|0,0,2]=4 155 B6R0.1 CCC(=O)COC CDS024044 [0,1,1,0,0,0|1,0,0]=3 156 B6R0.1 CCC(=O)OCS PH000959 [0,1,1,0,0,0|2,0,0]=4 157 B6R0.1 CCCC(C)NC PH018184 [0,1,1,0,0,0|1,0,1]=4 158 B6R0.1 CCCC(N)CC CBR01120 [0,1,1,0,0,0|1,0,1]=4 159 B6R0.1 CCNC(=O)CBr CBR01984 [0,1,1,0,0,0|1,0,0]=3 160 B6R0.1 CCNC(=O)CCl TMT00299 [0,1,1,0,0,0|1,0,0]=3 161 B6R0.1 CCOC(=O)NC PH010865 [0,1,1,0,0,0|1,0,0]=3 162 B6R0.1 CCOC(=O)N[O-] S859273 [0,1,1,0,0,0|2,0,0]=4 163 B6R0.1 CCSC(=O)CC CDS001498 [0,1,1,0,0,0|1,0,0]=3 164 B6R0.1 CNCC(=O)NC CBR00235 [0,1,1,0,0,0|1,0,0]=3 165 B6R0.1 CNCC(=O)OC PH006931 [0,1,1,0,0,0|1,0,0]=3 166 B6R0.1 [Li]OC(=O)CCC S813958 [0,1,1,0,0,0|1,0,0]=3 167 B6R0.2 C=C(C)CC(C)C R289256 [0,1,1,0,0,0|1,0,0]=3 168 B6R0.2 CC(=CC(C)C)C R289302 [0,1,1,0,0,0|1,0,1]=4 169 B6R0.2 CC(=N)CC(=O)C S366234 [0,1,1,0,0,0|0,0,1]=3 170 B6R0.2 CC(=O)NC(C)C S378992 [0,1,1,0,0,0|1,0,0]=3 171 B6R0.2 CC(=O)SC(=O)C R425621 [0,1,1,0,0,0|1,0,1]=4 172 B6R0.2 CC(=S)CC(=O)N S704164 [0,1,1,0,0,0|1,0,1]=4 173 B6R0.2 CC(C)CC(=O)[O-] S693154 [0,1,1,0,0,0|1,0,0]=3 174 B6R0.2 CC(Cl)CC(=O)O S419621 [0,1,1,0,0,0|1,0,0]=3 175 B6R0.2 CN(C)CC(=O)Cl CDS013657 [0,1,1,0,0,0|2,0,0]=4 176 B6R0.3 CC(CN)C(=O)O CDS014136 [0,1,1,0,0,0|2,0,0]=4 177 B6R0.3 CC(CS)C(=O)O CDS000283 [0,1,1,0,0,0|2,0,0]=4 178 B6R0.3 CCC(C)C(=O)N S799637 [0,1,1,0,0,0|1,0,0]=3 179 B6R0.3 CCC(C)[N+](=O)[O-] S919179 [0,1,1,0,0,0|2,0,0]=4 180 B6R0.3 CCC(N)C(=O)N S784044 [0,1,1,0,0,0|1,0,0]=3 181 B6R0.3 CCC(O)C(=O)O CDS000492 [0,1,1,0,0,0|1,0,0]=3 182 B6R0.3 CCC(O)C(=O)[O-] CDS000457 [0,1,1,0,0,0|1,0,0]=3 183 B6R0.3 CNC(C)C(=O)N CBR00065 [0,1,1,0,0,0|2,0,0]=4 184 B6R0.3 CO[C@@H](C)C(=O)O CDS005685 [0,1,1,0,0,0|2,0,0]=4 185 B6R0.3 NCC(N)C(=O)O R278769 [0,1,1,0,0,0|2,0,0]=4 186 B6R0.4 C=C(Br)CCCO T297658 [0,1,1,0,0,0|1,0,1]=4 187 B6R0.4 C=CCNC(=O)C EME00415 [0,1,1,0,0,0|0,0,2]=4 188 B6R0.4 CC(=O)NCCCl CDS001220 [0,1,1,0,0,0|1,0,0]=3 189 B6R0.4 CC(=O)OCCS S363049 [0,1,1,0,0,0|1,0,0]=3 190 B6R0.4 CC/C=C/C(=O)Cl PH009861 [0,1,1,0,0,0|1,0,1]=4 191 B6R0.4 CCC#CC(=O)C CDS000006 [0,1,1,0,0,0|0,0,1]=3 192 B6R0.4 CCCC=C(C)C S419117 [0,1,1,0,0,0|1,0,0]=3 193 B6R0.4 CCCCC(=N)N PH017352 [0,1,1,0,0,0|2,0,0]=4 194 B6R0.4 CCCCC(=S)N PH000512 [0,1,1,0,0,0|1,1,0]=4 195 B6R0.4 CCCNC(=N)N L254797 [0,1,1,0,0,0|2,0,0]=4 196 B6R0.4 CCCSC(=O)C CDS000298 [0,1,1,0,0,0|0,0,0]=2 197 B6R0.4 CCCSC(C)C S570702 [0,1,1,0,0,0|1,0,1]=4 198 B6R0.4 CCNCC(=O)N S877379 [0,1,1,0,0,0|1,0,0]=3 199 B6R0.4 CCNCC(=O)N S986194 [0,1,1,0,0,0|1,0,0]=3 200 B6R0.4 CCSCC(=O)C S614262 [0,1,1,0,0,0|0,0,0]=2 201 B6R0.4 CNCCC(=O)O CDS013939 [0,1,1,0,0,0|1,0,0]=3 202 B6R0.4 COCCC(=N)N CBR01198 [0,1,1,0,0,0|2,0,0]=4 203 B6R0.4 CSCCC(=O)Cl CDS000414 [0,1,1,0,0,0|1,0,0]=3 204 B6R0.4 CSCCC(C)C S351520 [0,1,1,0,0,0|1,0,1]=4 205 B6R0.4 N#CCCC(=O)O CDS009069 [0,1,1,0,0,0|1,0,1]=4 206 B6R0.4 NC(=O)CCCCl OTV000845 [0,1,1,0,0,0|1,0,0]=3 207 B6R0.4 NC(=O)NCCCl CDS000493 [0,1,1,0,0,0|2,0,0]=4 208 B6R0.4 O=C(O)CCCS CDS004545 [0,1,1,0,0,0|1,0,0]=3 209 B6R0.5 CCCS(=O)(=O)[S-] S47857 [0,1,1,0,0,0|2,0,0]=4 210 B6R0.5 CS(=O)(=O)CCN CDS005167 [0,1,1,0,0,0|2,0,0]=4 211 B6R0.6 C=C=CCCCO CVT00100 [0,1,1,0,0,0|2,0,0]=4 212 B6R0.6 C=CCSCCC S357391 [0,1,1,0,0,0|1,0,0]=3 213 B6R0.6 CCCCCSC S357952 [0,1,1,0,0,0|0,1,1]=4 214 B6R0.6 CCCCNC=O S550981 [0,1,1,0,0,0|0,0,0]=2 215 B6R0.6 CCCCSC#N S449814 [0,1,1,0,0,0|1,0,1]=4 216 B6R0.6 CCCNCCC R580155 [0,1,1,0,0,0|1,0,1]=4 217 B6R0.6 CCCOCC#N PH011429 [0,1,1,0,0,0|1,0,1]=4 218 B6R0.6 CCCSCCO S408859 [0,1,1,0,0,0|0,0,2]=4 219 B6R0.6 CCOCC[Hg]Cl S564443 [0,1,1,0,0,0|2,0,0]=4 220 B6R0.6 CCSCCCO PH017932 [0,1,1,0,0,0|0,0,2]=4 221 B6R0.6 COCCCC=O CDS022820 [0,1,1,0,0,0|0,0,0]=2 222 B6R0.6 COCCN=C=O CBR02010 [0,1,1,0,0,0|1,0,1]=4 223 B6R0.6 COCCNC=O PH007296 [0,1,1,0,0,0|1,0,0]=3 224 B6R0.6 FCCCCCBr CBR02103 [0,1,1,0,0,0|1,0,1]=4 225 B6R0.6 [C-]#[N+]CCCOC PH015420 [0,1,1,0,0,0|2,0,0]=4 226 B6R0.8 CC[Pb](Br)(Br)CC S813206 [0,1,1,0,0,0|2,0,0]=4 227 B6R0.8 CC[Pb](Cl)(Cl)CC S798401 [0,1,1,0,0,0|2,0,0]=4 228 B6R0.9 CCC(CC)CN CDS014133 [0,1,1,0,0,0|1,0,1]=4 229 B6R0.9 CCC(CC)NC CBR01265 [0,1,1,0,0,0|1,0,1]=4 230 B6R0.9 CCN(CC)CC R156221 [0,1,1,0,0,0|2,0,0]=4 231 B6R1.4 CC1CCC1=O CDS021461 [0,1,0,0,1,0|0,0,0]=2 232 B6R1.4 O=C1CCC1=O S869309 [0,1,0,0,1,0|0,0,1]=3 233 B6R1.5 CN1CC(C1)N CDS007511 [0,1,0,0,1,0|2,0,0]=4 234 B6R1.5 NC1CC(C1)O CDS022886 [0,1,0,0,1,0|0,0,2]=4 235 B6R1.5 O=C1CC(C1)Br SYX00267 [0,1,0,0,1,0|0,0,0]=2 236 B6R1.6 N#CC1CCC1 CDS014291 [0,1,0,0,1,0|1,0,1]=4 237 B6R1.6 NCC1CCC1 CDS009558 [0,1,0,0,1,0|1,0,1]=4 238 B6R1.10 O=S1(=O)CCC1 S620734 [0,1,0,0,1,0|1,0,0]=3 239 B8R1.2 BrCC1CCOCC1 CDS013754 [0,1,0,0,0,1|1,0,1]=4 240 B8R1.2 C#CC1CCOCC1 CDS024231 [0,1,0,0,0,1|1,0,1]=4 241 B8R1.2 CCC1=NCCCS1 PH008217 [0,1,0,0,0,1|2,0,0]=4 242 B8R1.2 CNC1CCOCC1 CDS001741 [0,1,0,0,0,1|1,0,1]=4 243 B8R1.2 COC1CCCNC1 CDS007978 [0,1,0,0,0,1|0,0,2]=4 244 B8R1.2 N#CC1CCCNC1 CDS008635 [0,1,0,0,0,1|1,0,1]=4 245 B8R1.2 N#C[C@@H]1CCCNC1 CDS008821 [0,1,0,0,0,1|1,0,1]=4 246 B8R1.2 NCC1=CCCCC1 CBR00863 [0,1,0,0,0,1|1,0,0]=3 247 B8R1.2 NCC1CCCCO1 CDS006458 [0,1,0,0,0,1|1,0,1]=4 248 B8R1.2 NCC1CCCCO1 CDS006719 [0,1,0,0,0,1|1,0,1]=4 249 B8R1.2 NCC1CCCNC1 CDS013586 [0,1,0,0,0,1|1,0,1]=4 250 B8R1.2 NCC1CCOCC1 CDS003651 [0,1,0,0,0,1|1,0,1]=4 251 B8R1.2 NNC1CCCCC1 S859435 [0,1,0,0,0,1|1,0,1]=4 252 B8R1.2 O=CC1=COCCO1 CDS007966 [0,1,0,0,0,1|1,0,1]=4 253 B8R1.2 O=CC1CCCCO1 CDS019507 [0,1,0,0,0,1|0,0,1]=3 254 B8R1.2 O=CC1CCNCC1 CDS013816 [0,1,0,0,0,1|0,0,1]=3 255 B8R1.2 O=CC1CCOCC1 CDS020197 [0,1,0,0,0,1|0,0,1]=3 256 B8R1.2 O=CC1CCSCC1 CDS020250 [0,1,0,0,0,1|0,0,1]=3 257 B8R1.2 OCC1CCCOC1 CDS015486 [0,1,0,0,0,1|0,0,2]=4 258 B8R1.2 ON=C1CCSCC1 SYX00364 [0,1,0,0,0,1|0,0,1]=3 259 B8R1.2 SCC1CCCCC1 CDS020661 [0,1,0,0,0,1|0,1,1]=4 260 B8R1.2 SCN1CCCCC1 S302953 [0,1,0,0,0,1|1,1,0]=4 261 B8R1.2 SCN1CCOCC1 S276588 [0,1,0,0,0,1|1,1,0]=4 262 B8R1.2 [C-]#[N+]C1CCOCC1 PH015905 [0,1,0,0,0,1|1,0,1]=4 263 B8R1.3 CC1=CCC(CC1)Cl S109576 [0,1,0,0,0,1|1,0,0]=3 264 B8R1.3 CC1=NNC(=O)CC1 R750921 [0,1,0,0,0,1|1,0,1]=4 265 B8R1.3 CC1CCC(CC1)Br CDS001451 [0,1,0,0,0,1|1,0,1]=4 266 B8R1.3 CC1CCC(CC1)N T138053 [0,1,0,0,0,1|1,0,1]=4 267 B8R1.3 CN1CCC(CC1)Cl CDS003957 [0,1,0,0,0,1|1,0,1]=4 268 B8R1.3 CN1CCC(CC1)N CDS000065 [0,1,0,0,0,1|1,0,1]=4 269 B8R1.3 C[C@H]1CC[C@@H](CC1)N CDS019932 [0,1,0,0,0,1|1,0,1]=4 270 B8R1.3 ClC1CCC(CC1)Cl PH011417 [0,1,0,0,0,1|1,0,1]=4 271 B8R1.3 NC1CCC(=O)CC1 CDS009700 [0,1,0,0,0,1|0,0,0]=2 272 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [0,1,0,0,0,1|0,0,0]=2 273 B8R1.3 N[C@H]1CC[C@@H](CC1)O CDS003274 [0,1,0,0,0,1|0,0,2]=4 274 B8R1.3 N[C@H]1CC[C@H](CC1)O CDS019704 [0,1,0,0,0,1|0,0,2]=4 275 B8R1.3 O=C1CCC(CC1)O T292184 [0,1,0,0,0,1|0,0,0]=2 276 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [0,1,0,0,0,1|0,0,0]=2 277 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,1,0,0,0,1|0,0,1]=3 278 B8R1.4 CC1CC(CCN1)O CDS008819 [0,1,0,0,0,1|0,0,2]=4 279 B8R1.4 CC1CCCC(C1)N CDS007614 [0,1,0,0,0,1|1,0,1]=4 280 B8R1.4 CC1CCCC(C1)S CDS023316 [0,1,0,0,0,1|0,1,1]=4 281 B8R1.4 CC1CCOS(=O)O1 S359173 [0,1,0,0,0,1|2,0,0]=4 282 B8R1.4 CN1CCCC(C1)N CDS007772 [0,1,0,0,0,1|1,0,1]=4 283 B8R1.4 C[C@H]1CN(CCN1)C CDS008983 [0,1,0,0,0,1|2,0,0]=4 284 B8R1.4 N1C(CCCC1C)C S379425 [0,1,0,0,0,1|1,0,1]=4 285 B8R1.4 N1C(CCCC1C)C S379727 [0,1,0,0,0,1|1,0,1]=4 286 B8R1.4 NC1=CC(=O)CCC1 S897639 [0,1,0,0,0,1|0,0,1]=3 287 B8R1.4 NC1=NC(=O)CCS1 PH012053 [0,1,0,0,0,1|1,0,1]=4 288 B8R1.4 NC1CCNC(=O)C1 CDS024233 [0,1,0,0,0,1|0,0,0]=2 289 B8R1.4 O=C1CNCC(=O)N1 CDS019497 [0,1,0,0,0,1|1,0,1]=4 290 B8R1.4 O=C1CSCC(=O)N1 R305316 [0,1,0,0,0,1|1,0,1]=4 291 B8R1.4 O=S1CCCS(=O)C1 L165794 [0,1,0,0,0,1|1,0,0]=3 292 B8R1.4 OC1C=C(CCC1)Br T262986 [0,1,0,0,0,1|1,0,0]=3 293 B8R1.5 CC1SCCNC1=O R305707 [0,1,0,0,0,1|1,0,0]=3 294 B8R1.5 FC1=C(CCCC1)Br S896187 [0,1,0,0,0,1|1,0,0]=3 295 B8R1.5 FC1CCCCC1Br CDS002897 [0,1,0,0,0,1|1,0,1]=4 296 B8R1.5 N1CCNC(=O)C1=O S15025 [0,1,0,0,0,1|1,0,1]=4 297 B8R1.5 NC1CCCNC1=O CDS020148 [0,1,0,0,0,1|0,0,0]=2 298 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [0,1,0,0,0,1|0,0,2]=4 299 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [0,1,0,0,0,1|0,0,2]=4 300 B8R1.5 N[C@H]1CCCC[C@H]1N R750832 [0,1,0,0,0,1|1,0,1]=4 301 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,1,0,0,0,1|0,0,0]=2 302 B8R1.5 O=C1CCOCC1F SYX00096 [0,1,0,0,0,1|0,0,0]=2 303 B8R1.5 OC1CCCC=C1Br T272590 [0,1,0,0,0,1|1,0,0]=3 304 B8R1.5 OC1CCCCC1Br PH007482 [0,1,0,0,0,1|0,0,2]=4 305 B8R1.5 O[C@@H]1CNCC[C@H]1F OMC00066 [0,1,0,0,0,1|0,0,2]=4 306 B8R1.72 CC1(CCCCN1)C PH019129 [0,1,0,0,0,1|1,0,1]=4 307 B8R1.72 CC1(CCNCC1)C CDS012487 [0,1,0,0,0,1|1,0,1]=4 308 B8R1.72 CC1(CCNCC1)F OMC00032 [0,1,0,0,0,1|1,0,1]=4 309 B8R1.72 C[N+]1(CCCCC1)C S347310 [0,1,0,0,0,1|2,0,0]=4 310 B8R1.72 C[Si]1(CCCCC1)C S584983 [0,1,0,0,0,1|1,1,0]=4 311 B8R1.72 FC1(CCCNC1)F CDS014010 [0,1,0,0,0,1|1,0,1]=4 312 B8R1.1 CCC1CCC(C1)C R289752 [0,2,0,0,0,0|1,0,1]=4 313 B8R1.1 CCC1CNC(=O)C1 CBR00057 [0,2,0,0,0,0|1,0,0]=3 314 B8R1.1 CCC1COC(=O)N1 CBR02121 [0,2,0,0,0,0|2,0,0]=4 315 B8R1.1 CCN1CCC(C1)N CBR01844 [0,2,0,0,0,0|2,0,0]=4 316 B8R1.1 CN1CCC(C1)CBr CBR01706 [0,2,0,0,0,0|2,0,0]=4 317 B8R1.1 CN1CCC(C1)CCl CBR01971 [0,2,0,0,0,0|2,0,0]=4 318 B8R1.1 CN1CCC(C1)NN PH019450 [0,2,0,0,0,0|2,0,0]=4 319 B8R1.1 CNC1CCN(C1)C CDS000172 [0,2,0,0,0,0|2,0,0]=4 320 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [0,2,0,0,0,0|1,0,0]=3 321 B8R1.1 O=C1CC(CN1)CO CDS002555 [0,2,0,0,0,0|1,0,0]=3 322 B8R1.1 O=C1CCC(O1)CCl PH010125 [0,2,0,0,0,0|1,0,0]=3 323 B8R1.1 O=C1OCC(O1)CCl S416657 [0,2,0,0,0,0|2,0,0]=4 324 B8R1.7 CC(C)C1CCCC1 R289671 [0,2,0,0,0,0|1,0,1]=4 325 B8R1.7 NC(=O)C1CCCC1 EME00440 [0,2,0,0,0,0|0,0,1]=3 326 B8R1.7 NC(=O)C1CCCN1 CDS008010 [0,2,0,0,0,0|1,0,1]=4 327 B8R1.7 O=C(O)C1CCNC1 CDS007406 [0,2,0,0,0,0|1,0,1]=4 328 B8R1.7 OB(O)C1=CCCC1 CDS007916 [0,2,0,0,0,0|0,0,2]=4 329 B8R1.8 C(=C1CCCC1)C#N T175536 [0,2,0,0,0,0|1,0,0]=3 330 B8R1.8 CCNC1CCCC1 CBR00868 [0,2,0,0,0,0|1,0,1]=4 331 B8R1.8 ClCCN1CCCC1 CDS008148 [0,2,0,0,0,0|2,0,0]=4 332 B8R1.8 NCCC1CCCC1 CDS008185 [0,2,0,0,0,0|1,0,1]=4 333 B8R1.8 NCCC1CCCC1 T175072 [0,2,0,0,0,0|1,0,1]=4 334 B8R1.8 S=C=NC1CCCC1 CDS000716 [0,2,0,0,0,0|0,1,1]=4 335 B8R1.11 C#C[C@H]1CCC[C@@H]1O R238252 [0,2,0,0,0,0|0,0,2]=4 336 B8R1.11 CC1CCC=C1C#N T238554 [0,2,0,0,0,0|1,0,1]=4 337 B8R1.11 CCC1CCNC1=O CBR01663 [0,2,0,0,0,0|1,0,0]=3 338 B8R1.11 CN1CCCC1CCl CBR02411 [0,2,0,0,0,0|2,0,0]=4 339 B8R1.11 CN1CCCC1CN CBR00699 [0,2,0,0,0,0|2,0,0]=4 340 B8R1.11 CN1CCCC1CO CDS011078 [0,2,0,0,0,0|2,0,0]=4 341 B8R1.11 N#CC1CCCC1=O CDS020714 [0,2,0,0,0,0|0,0,0]=2 342 B8R1.11 NN[C@@H]1CCC[C@H]1O CBR01625 [0,2,0,0,0,0|0,0,2]=4 343 B8R1.11 N[C@H]1CCC[C@H]1CO BBO000401 [0,2,0,0,0,0|0,0,2]=4 344 B8R1.11 O=C1CCCN1CO S362557 [0,2,0,0,0,0|1,0,0]=3 345 B8R1.52 C[N+]1(CCCC1)CI S866067 [0,2,0,0,0,0|2,0,0]=4 346 B8R1.18 CC1CC(C(=O)O1)C S327565 [0,2,0,0,0,0|1,0,0]=3 347 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,2,0,0,0,0|1,0,0]=3 348 B8R1.50 CC1C(=O)COC1=O S839418 [0,2,0,0,0,0|1,0,1]=4 349 B8R1.50 CC1CCC(C1O)O S352810 [0,2,0,0,0,0|0,0,2]=4 350 B8R1.50 C[C@H]1[C@@H](CC[C@H]1O)C T297410 [0,2,0,0,0,0|0,0,2]=4 351 B8R1.51 CC1(CCC(=O)O1)C CDS007697 [0,2,0,0,0,0|1,0,0]=3 352 B8R1.51 CC1(CNC(=O)O1)C T283703 [0,2,0,0,0,0|2,0,0]=4 353 B8R1.51 CC1(COC(=O)N1)C CBR01583 [0,2,0,0,0,0|2,0,0]=4 354 B8R1.51 NC1CCS(=O)(=O)C1 PH009969 [0,2,0,0,0,0|1,0,0]=3 355 B8R1.51 NC1CCS(=O)(=O)C1 S172014 [0,2,0,0,0,0|1,0,0]=3 356 B8R1.19 CC1CCCS1(=O)=O S566659 [0,2,0,0,0,0|1,0,0]=3 357 B8R1.19 CN1CCCS1(=O)=O CDS023411 [0,2,0,0,0,0|2,0,0]=4 358 B6R1.8 CCC1CC1N CDS012189 [0,0,1,1,0,0|1,0,1]=4 359 B6R1.9 CC1CC1(C)C R289639 [0,0,1,1,0,0|1,0,1]=4 360 B6R1.11 CC(C)C1CC1 R289612 [0,0,1,1,0,0|1,0,1]=4 361 B6R1.11 CC(N)C1CC1 CDS018130 [0,0,1,1,0,0|1,0,1]=4 362 B6R1.11 C[C@@H](N)C1CC1 CDS000831 [0,0,1,1,0,0|1,0,1]=4 363 B6R1.11 NC(=O)C1CC1 S455989 [0,0,1,1,0,0|1,0,0]=3 364 B6R1.11 NC(=S)C1CC1 PH011536 [0,0,1,1,0,0|1,1,0]=4 365 B8R2.34 [C@H]12CC[C@H](C1)NC2 CDS019247 [0,0,0,1,0,1|1,0,1]=4 366 B8R2.38 [C@@H]12CCC([C@@H]1C2)O T227315 [0,0,0,1,0,1|0,0,2]=4 367 B8R1.22 CC1=NCCCCN1 S168785 [0,0,0,0,0,2|1,0,0]=3 368 B8R1.22 CC1CCCCCO1 T168866 [0,0,0,0,0,2|1,0,1]=4 369 B8R1.22 O=C1C=CCCC=C1 T167258 [0,0,0,0,0,2|0,0,2]=4 370 B8R1.22 O=C1CCSCCN1 SYX00233 [0,0,0,0,0,2|0,0,0]=2 371 B8R1.22 O=C1CNCCCN1 CDS019453 [0,0,0,0,0,2|0,0,0]=2 372 B8R1.22 O=C1CSCCSC1 CBR01192 [0,0,0,0,0,2|0,0,0]=2 373 B8R1.22 OC1CCCCCO1 S866032 [0,0,0,0,0,2|0,0,2]=4 374 B8R1.22 S=C1NCCCCN1 PH000173 [0,0,0,0,0,2|0,1,0]=3