0 B5R1.1 C1=CCNC1 ANV00248 [0,0,0,0,0,0|0,0,2]=2 1 B5R1.1 C1=NNCC1 CDS000117 [0,0,0,0,0,0|1,0,1]=2 2 B6R1.2 CC1CCNC1 CDS003772 [0,1,0,0,0,0|0,0,0]=1 3 B6R1.2 CC1NCCS1 CDS001533 [0,1,0,0,0,0|1,0,0]=2 4 B6R1.2 CC1SCCS1 CDS001515 [0,1,0,0,0,0|2,0,0]=3 5 B6R1.2 C[C@@H]1CCNC1 CDS006861 [0,1,0,0,0,0|0,0,0]=1 6 B6R1.2 C[C@H]1CCNC1 CDS009158 [0,1,0,0,0,0|0,0,0]=1 7 B6R1.2 Cl[Sb]1SCCS1 S741698 [0,1,0,0,0,0|2,1,0]=4 8 B6R1.2 O=C1CC=CC1 CDS003851 [0,1,0,0,0,0|1,0,2]=4 9 B6R1.2 O=C1NCCS1 CDS011623 [0,1,0,0,0,0|1,0,1]=3 10 B6R1.2 OC1CCCO1 CDS007077 [0,1,0,0,0,0|1,0,0]=2 11 B6R1.2 OC1CNOC1 CBR01544 [0,1,0,0,0,0|1,0,0]=2 12 B6R1.2 O[C@H]1CCNC1 CDS003495 [0,1,0,0,0,0|0,0,0]=1 13 B6R1.2 P1(=O)OCCO1 S428957 [0,1,0,0,0,0|2,1,0]=4 14 B4R0.2 C#CCON SYX00221 [0,0,1,0,0,0|1,0,2]=4 15 B4R0.2 C=CCCN CDS021978 [0,0,1,0,0,0|0,0,2]=3 16 B4R0.2 CCCC[NH3+] S342920 [0,0,1,0,0,0|0,0,1]=2 17 B4R0.2 CC[PbH2]CC S818542 [0,0,1,0,0,0|1,0,0]=2 18 B4R0.2 CNCC#N CDS000167 [0,0,1,0,0,0|1,0,1]=3 19 B4R0.2 CNCC#N S570885 [0,0,1,0,0,0|1,0,1]=3 20 B4R0.2 CS[PbH2]SC S549991 [0,0,1,0,0,0|3,0,0]=4 21 B4R0.2 N#CCCI PH007185 [0,0,1,0,0,0|1,0,2]=4 22 B4R0.2 N#CCCN CDS007521 [0,0,1,0,0,0|1,0,1]=3 23 B4R0.2 N#CCCS OTV000794 [0,0,1,0,0,0|1,0,2]=4 24 B4R0.2 NCCCF CDS007794 [0,0,1,0,0,0|1,0,0]=2 25 B4R0.2 OCCCF CDS002969 [0,0,1,0,0,0|2,0,0]=3 26 B4R0.2 OCNCCl R464872 [0,0,1,0,0,0|2,0,0]=3 27 B4R0.2 SCCCN OTV000791 [0,0,1,0,0,0|1,0,0]=2 28 B6R1.1 C1COCCN1 S503576 [0,0,0,0,0,1|0,0,0]=1 29 B6R1.1 C1COCCN1 S579327 [0,0,0,0,0,1|0,0,0]=1 30 B6R1.1 C1COCCN1 S683396 [0,0,0,0,0,1|0,0,0]=1 31 B3R0.1 C=CCN CDS000416 [1,0,1,0,0,0|0,0,2]=4 32 B3R0.1 CCCC S124796 [1,0,1,0,0,0|0,0,0]=2 33 B3R0.1 CCNC CDS013740 [1,0,1,0,0,0|0,0,0]=2 34 B3R0.1 CC[Hg]Cl S659541 [1,0,1,0,0,0|2,0,0]=4 35 B3R0.1 N#CCN R288616 [1,0,1,0,0,0|1,0,1]=4 36 B3R0.1 NCCN S573019 [1,0,1,0,0,0|1,0,0]=3 37 B3R0.1 [O-]CC[O-] R647071 [1,0,1,0,0,0|2,0,0]=4 38 B5R0.1 C(=O)CC(C)O CDS019977 [0,1,1,0,0,0|1,0,1]=4 39 B5R0.1 C(=O)NC(C)C S378380 [0,1,1,0,0,0|1,0,1]=4 40 B5R0.1 C=C(C)CSC S866024 [0,1,1,0,0,0|1,0,1]=4 41 B5R0.1 CC(=O)CCN OTV000740 [0,1,1,0,0,0|0,0,1]=3 42 B5R0.1 CC(Br)CC#N CDS003547 [0,1,1,0,0,0|0,0,2]=4 43 B5R0.1 CC(C)CCCl S564524 [0,1,1,0,0,0|1,0,0]=3 44 B5R0.1 CC(O)CNN CBR01627 [0,1,1,0,0,0|1,0,0]=3 45 B5R0.1 CCNC(=N)N PH018983 [0,1,1,0,0,0|1,0,1]=4 46 B5R0.1 CCOC(=S)N PH003667 [0,1,1,0,0,0|1,0,1]=4 47 B5R0.1 CN(C)CCBr PH011840 [0,1,1,0,0,0|1,0,0]=3 48 B5R0.1 CN(C)CCO S573124 [0,1,1,0,0,0|1,0,0]=3 49 B5R0.1 CNCC(=O)C CBR02406 [0,1,1,0,0,0|0,0,1]=3 50 B5R0.1 CNCC(C)C CDS000422 [0,1,1,0,0,0|0,0,0]=2 51 B5R0.1 COCC(=N)N CBR01671 [0,1,1,0,0,0|1,0,1]=4 52 B5R0.1 COCC(=O)N S371874 [0,1,1,0,0,0|1,0,1]=4 53 B5R0.1 COC[C@@H](C)N CDS023796 [0,1,1,0,0,0|1,0,0]=3 54 B5R0.1 COC[C@H](C)N CDS001149 [0,1,1,0,0,0|1,0,0]=3 55 B5R0.1 CSCC(=N)N OTV000870 [0,1,1,0,0,0|1,0,1]=4 56 B5R0.1 N=C(N)CCO PH014361 [0,1,1,0,0,0|1,0,1]=4 57 B5R0.1 NCCC(=O)N CDS000027 [0,1,1,0,0,0|1,0,1]=4 58 B5R0.2 C#CCSCC R436380 [0,1,1,0,0,0|1,0,1]=4 59 B5R0.2 C=CCNCC PH014544 [0,1,1,0,0,0|0,0,1]=3 60 B5R0.2 C=CCSCC S620327 [0,1,1,0,0,0|1,0,1]=4 61 B5R0.2 CCC/C=N/O S429139 [0,1,1,0,0,0|0,0,2]=4 62 B5R0.2 CCCCSC S447420 [0,1,1,0,0,0|1,0,0]=3 63 B5R0.2 CCCC[Hg]Cl S829617 [0,1,1,0,0,0|1,0,0]=3 64 B5R0.2 CCCNCC CDS000615 [0,1,1,0,0,0|0,0,0]=2 65 B5R0.2 CCCOCC CDS000380 [0,1,1,0,0,0|1,0,0]=3 66 B5R0.2 CCNNCC S814563 [0,1,1,0,0,0|0,0,0]=2 67 B5R0.2 CCOCCN CDS000379 [0,1,1,0,0,0|0,0,0]=2 68 B5R0.2 CCSCCO PH011451 [0,1,1,0,0,0|1,0,0]=3 69 B5R0.2 CNCCCBr PH013730 [0,1,1,0,0,0|0,0,0]=2 70 B5R0.2 COCCSC S698245 [0,1,1,0,0,0|1,0,0]=3 71 B5R0.2 CSCCC#N T160407 [0,1,1,0,0,0|0,0,2]=4 72 B5R0.3 CC(CN)CO CDS010871 [0,1,1,0,0,0|1,0,0]=3 73 B5R0.3 CCC(=O)CO R277614 [0,1,1,0,0,0|1,0,1]=4 74 B5R0.3 CCC(C)NN PH019109 [0,1,1,0,0,0|1,0,0]=3 75 B5R0.3 CCC(N)CC TMT00064 [0,1,1,0,0,0|1,0,0]=3 76 B5R0.3 CCC(O)CBr PH018186 [0,1,1,0,0,0|1,0,0]=3 77 B5R0.3 CCC(O)CN CDS000624 [0,1,1,0,0,0|0,0,0]=2 78 B5R0.3 CCN(O)CC S623067 [0,1,1,0,0,0|0,0,0]=2 79 B5R0.3 CC[Tl](Br)CC S837075 [0,1,1,0,0,0|1,0,0]=3 80 B5R0.3 CC[Tl](I)CC S837083 [0,1,1,0,0,0|1,0,0]=3 81 B5R0.3 CNC(=O)CCl OTV000964 [0,1,1,0,0,0|1,0,1]=4 82 B5R0.3 NC(CBr)CBr R150371 [0,1,1,0,0,0|2,0,0]=4 83 B5R0.3 NCC(Br)CBr R151203 [0,1,1,0,0,0|1,0,0]=3 84 B5R0.3 NCC(CN)N S741841 [0,1,1,0,0,0|1,0,0]=3 85 B5R0.3 OC(CF)CBr CDS019708 [0,1,1,0,0,0|2,0,0]=4 86 B5R1.2 O=C1CSC1 SYX00053 [0,1,0,0,1,0|1,0,1]=4 87 B7R1.3 BrC1CCSCC1 CBR02203 [0,1,0,0,0,1|1,0,0]=3 88 B7R1.3 CC1=CCCNC1 PHB00292 [0,1,0,0,0,1|0,0,1]=3 89 B7R1.3 CC1=CCNCC1 CBR01822 [0,1,0,0,0,1|0,0,1]=3 90 B7R1.3 CC1=NCCCN1 PH016717 [0,1,0,0,0,1|0,0,1]=3 91 B7R1.3 CC1=NCCCS1 PH000571 [0,1,0,0,0,1|0,0,2]=4 92 B7R1.3 CC1CNCCO1 CDS022716 [0,1,0,0,0,1|0,0,0]=2 93 B7R1.3 CC1NCCCS1 T149675 [0,1,0,0,0,1|0,0,0]=2 94 B7R1.3 IC1=CCCCC1 PH008510 [0,1,0,0,0,1|1,0,0]=3 95 B7R1.3 NC1CCCCC1 S512877 [0,1,0,0,0,1|1,0,0]=3 96 B7R1.3 NC1CCCCC1 S669822 [0,1,0,0,0,1|1,0,0]=3 97 B7R1.3 NC1CCCCC1 S926507 [0,1,0,0,0,1|1,0,0]=3 98 B7R1.3 NC1CCCOC1 CDS009128 [0,1,0,0,0,1|1,0,0]=3 99 B7R1.3 NC1CCOCC1 CDS006264 [0,1,0,0,0,1|1,0,0]=3 100 B7R1.3 O=C1CCCNC1 CDS006090 [0,1,0,0,0,1|0,0,0]=2 101 B7R1.3 O=C1COCCN1 T160245 [0,1,0,0,0,1|0,0,1]=3 102 B7R1.3 O=C1COCCO1 PH009771 [0,1,0,0,0,1|1,0,1]=4 103 B7R1.3 O=C1CSCCN1 PH010392 [0,1,0,0,0,1|0,0,1]=3 104 B7R1.3 O=C1NCCCN1 S436712 [0,1,0,0,0,1|0,0,1]=3 105 B7R1.3 O=C1NCCCO1 CBR00063 [0,1,0,0,0,1|0,0,1]=3 106 B7R1.3 O=C1OCCCO1 S939668 [0,1,0,0,0,1|1,0,1]=4 107 B7R1.3 O=S1CCCSC1 S885002 [0,1,0,0,0,1|1,0,0]=3 108 B7R1.3 O=S1CCNCC1 CDS019871 [0,1,0,0,0,1|0,0,0]=2 109 B7R1.3 OC1CCCSC1 S461172 [0,1,0,0,0,1|1,0,0]=3 110 B7R1.3 SC1CCNCC1 PHB00269 [0,1,0,0,0,1|0,0,0]=2 111 B7R1.3 SC1CCOCC1 CDS023754 [0,1,0,0,0,1|1,0,0]=3 112 B7R1.1 BrCC1CCCC1 CDS005521 [0,2,0,0,0,0|1,0,0]=3 113 B7R1.1 BrCC1CCCO1 CDS001200 [0,2,0,0,0,0|1,0,0]=3 114 B7R1.1 CC=C1CCCC1 S431559 [0,2,0,0,0,0|1,0,0]=3 115 B7R1.1 CCC1C=CCC1 S416223 [0,2,0,0,0,0|1,0,1]=4 116 B7R1.1 CNC1CCCC1 CDS004583 [0,2,0,0,0,0|1,0,0]=3 117 B7R1.1 CN[C@@H]1CCNC1 CDS000051 [0,2,0,0,0,0|0,0,0]=2 118 B7R1.1 CN[C@H]1CCNC1 CDS000053 [0,2,0,0,0,0|0,0,0]=2 119 B7R1.1 COC1=NCCC1 PH000359 [0,2,0,0,0,0|0,0,2]=4 120 B7R1.1 COC1C=CCC1 S702501 [0,2,0,0,0,0|1,0,1]=4 121 B7R1.1 COC1CCNC1 CDS009205 [0,2,0,0,0,0|0,0,0]=2 122 B7R1.1 ClCC1CCOC1 CDS022549 [0,2,0,0,0,0|1,0,0]=3 123 B7R1.1 N1CCN=C1NC S897086 [0,2,0,0,0,0|1,0,1]=4 124 B7R1.1 NCC1CCCC1 SYX00193 [0,2,0,0,0,0|1,0,0]=3 125 B7R1.1 NCC1CCNC1 CDS009628 [0,2,0,0,0,0|0,0,0]=2 126 B7R1.1 O=CC1CCCO1 CDS005466 [0,2,0,0,0,0|1,0,0]=3 127 B7R1.1 OCC1CCCN1 CDS000339 [0,2,0,0,0,0|0,0,0]=2 128 B7R1.2 CC1CCC(N1)C S652032 [0,2,0,0,0,0|0,0,0]=2 129 B7R1.2 CC1CNC(=S)S1 S920002 [0,2,0,0,0,0|1,0,1]=4 130 B7R1.2 CC1COC(=O)C1 PH007953 [0,2,0,0,0,0|1,0,1]=4 131 B7R1.2 CC1COC(=O)N1 CBR01603 [0,2,0,0,0,0|1,0,1]=4 132 B7R1.2 C[C@H]1CC[C@H](N1)C PH016832 [0,2,0,0,0,0|0,0,0]=2 133 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [0,2,0,0,0,0|1,0,1]=4 134 B7R1.2 O=C1CC(CO1)O S672874 [0,2,0,0,0,0|1,0,1]=4 135 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [0,2,0,0,0,0|1,0,1]=4 136 B7R1.2 OC1C=CC(C1)O S779164 [0,2,0,0,0,0|1,0,1]=4 137 B7R1.2 OC1CCC(O1)O S806188 [0,2,0,0,0,0|1,0,0]=3 138 B7R1.4 CC1=C(CCC1)Br T256854 [0,2,0,0,0,0|1,0,1]=4 139 B7R1.4 CC1=CCCC1O T295310 [0,2,0,0,0,0|1,0,1]=4 140 B7R1.4 CC1CCCC1C R289701 [0,2,0,0,0,0|1,0,0]=3 141 B7R1.4 CC1CCCC1O CDS001174 [0,2,0,0,0,0|1,0,0]=3 142 B7R1.4 CC1OCOC1C T332674 [0,2,0,0,0,0|2,0,0]=4 143 B7R1.4 CN1CCN=C1N S897663 [0,2,0,0,0,0|1,0,1]=4 144 B7R1.4 CN1CCNC1=O CDS006142 [0,2,0,0,0,0|1,0,1]=4 145 B7R1.4 NC1CCOC1=O CDS012715 [0,2,0,0,0,0|1,0,1]=4 146 B7R1.4 NC1CCSC1=O S784036 [0,2,0,0,0,0|1,0,1]=4 147 B7R1.4 NN1CCOC1=O S462624 [0,2,0,0,0,0|1,0,1]=4 148 B7R1.4 N[C@H]1CCNC1=O CDS010107 [0,2,0,0,0,0|0,0,1]=3 149 B7R1.4 N[C@H]1COC[C@@H]1O CDS019175 [0,2,0,0,0,0|1,0,0]=3 150 B7R1.4 N[C@H]1COC[C@H]1O CBR01676 [0,2,0,0,0,0|1,0,0]=3 151 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [0,2,0,0,0,0|0,0,1]=3 152 B7R1.4 OC1C=CCC1O PH007055 [0,2,0,0,0,0|1,0,1]=4 153 B7R1.4 O[C@@H]1CCC=C1Br T262943 [0,2,0,0,0,0|1,0,1]=4 154 B7R1.4 O[C@H]1CNC[C@@H]1O CDS018735 [0,2,0,0,0,0|0,0,0]=2 155 B7R1.14 Br[Se]1(CCCC1)Br S101559 [0,2,0,0,0,0|1,0,0]=3 156 B7R1.14 CC1(CCCN1)C CDS009329 [0,2,0,0,0,0|0,0,0]=2 157 B7R1.14 CC1(COCN1)C S942308 [0,2,0,0,0,0|1,0,0]=3 158 B7R1.14 CC1(NCCS1)C CDS000182 [0,2,0,0,0,0|1,0,0]=3 159 B7R1.14 FC1(CCNC1)F CDS016868 [0,2,0,0,0,0|0,0,0]=2 160 B7R1.14 O=S1(=O)CCNC1 CDS008503 [0,2,0,0,0,0|1,0,0]=3 161 B5R1.3 CNC1CC1 CDS021441 [0,0,1,1,0,0|0,0,0]=2 162 B5R1.4 CC1CC1N CDS012259 [0,0,1,1,0,0|0,0,0]=2 163 B7R2.13 C1OCC2C1O2 PHB00276 [0,0,0,1,0,1|1,0,0]=3 164 B7R1.24 C1=CCCC=CC1 T178241 [0,0,0,0,0,2|1,0,1]=4 165 B7R1.24 C1CNCCOC1 CDS001609 [0,0,0,0,0,2|0,0,0]=2 166 B7R1.24 C1CNCCSC1 SYX00228 [0,0,0,0,0,2|0,0,0]=2