0 B10R1.21 CCCCCC1=NC=CN1 PH008606 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.21 CCCCCC1=NCCS1 PH008239 [0,0,0,0,0,0|1,1,2]=4 2 B10R1.21 CCNCCN1C=CC=N1 CBR01928 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.21 CNCCCN1C=CC=N1 CBR00276 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.12 CCCCC1=CC=CO1 CDS001204 [1,0,0,0,0,0|0,0,0]=1 5 B9R1.12 CCCCC1=CC=CS1 CDS001487 [1,0,0,0,0,0|0,1,0]=2 6 B9R1.12 CCNCC1=NC=CS1 CDS012234 [1,0,0,0,0,0|2,1,0]=4 7 B9R1.12 ClCCCN1C=CC=N1 CBR00878 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.12 N#CCCC1=CC=CO1 T208493 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.12 N#CCCC1=CC=CS1 PH001287 [1,0,0,0,0,0|1,1,1]=4 10 B9R1.12 NCCCC1=CC=CO1 CBR00236 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.12 NCCCN1C=CC=C1 CDS020841 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.12 S=C=NCC1=CC=CO1 CDS003797 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.4 OCCCNCC1=CC=CO1 CDS002750 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.25 COC(=O)CCC1=CC=CN1 CDS005344 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.25 O=C(CCl)NCC1=CC=CO1 R468177 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.25 O=C(CCl)OCC1=CC=CO1 S836451 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.27 CCCCSC1=CC(=O)CC1 T217042 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.29 NCCNC(=O)C1=CC=CO1 R733512 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.172 CC(=O)NCCC1=CC=CO1 EME00428 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.180 CCCCCN1C=CSC1=N PH013475 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.180 CNCCCC1=NC=CN1C CBR00657 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.5 C=CCC(O)CCCCC S417475 [0,0,1,0,0,0|0,0,2]=3 23 B9R0.5 CCCCC/C(=C/C#N)/C PH007331 [0,0,1,0,0,0|2,0,1]=4 24 B9R0.5 CCCCC/C(=C/CO)/I S326747 [0,0,1,0,0,0|2,0,1]=4 25 B11R2.2 C1=CNC(=N1)C2CCCN2 PH018994 [0,0,0,1,0,0|3,0,0]=4 26 B11R2.2 C1=COC(=C1)C2=NCCN2 T316245 [0,0,0,1,0,0|2,0,1]=4 27 B11R2.2 C1=CSC(=N1)C2CCCN2 CDS001398 [0,0,0,1,0,0|2,1,0]=4 28 B11R2.2 C1=NOC(=C1)C2CCCN2 PH019057 [0,0,0,1,0,0|2,0,0]=3 29 B11R2.3 [C@@H]1(CCC[C@]12C=CCO2)O T260304 [0,0,0,1,0,0|1,0,2]=4 30 B11R2.18 C1=C2CCNCCC2=NO1 PH019295 [0,0,0,1,0,0|3,0,0]=4 31 B11R2.106 CC1NCCN2C1=CC=C2 CBR01041 [0,0,0,1,0,0|3,0,0]=4 32 B11R2.106 CC1NCCN2C1=CC=C2 CDS012737 [0,0,0,1,0,0|3,0,0]=4 33 B11R2.106 NC1CCCC2=C1C=CS2 PH013645 [0,0,0,1,0,0|1,1,0]=3 34 B11R2.385 C1=NC=C(S1)CNC2CC2 PH018712 [0,0,0,1,0,0|2,1,0]=4 35 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [0,0,0,0,0,1|1,0,2]=4 36 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [0,0,0,0,0,1|1,0,2]=4 37 B11R1.28 CCCCOC1=NC=CC=C1 S434299 [0,0,0,0,0,1|2,0,0]=3 38 B11R1.28 CCCCSC1=NC=CC=N1 PH008617 [0,0,0,0,0,1|2,0,0]=3 39 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [0,0,0,0,0,1|2,0,1]=4 40 B11R1.28 CCNCCC1=CC=CC=N1 S361453 [0,0,0,0,0,1|2,0,0]=3 41 B11R1.28 CCNCCC1=CC=NC=C1 OTV000969 [0,0,0,0,0,1|2,0,0]=3 42 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [0,0,0,0,0,1|2,0,0]=3 43 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [0,0,0,0,0,1|2,0,0]=3 44 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [0,0,0,0,0,1|2,0,0]=3 45 B11R1.28 COCCOC1=CC=CC=C1 S793000 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [0,0,0,0,0,1|3,0,0]=4 47 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [0,0,0,0,0,1|3,0,0]=4 48 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [0,0,0,0,0,1|3,0,0]=4 49 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [0,0,0,0,0,1|3,0,0]=4 50 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [0,0,0,0,0,1|3,0,0]=4 51 B11R1.28 NCCCNC1=CC=CC=N1 PH014605 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [0,0,0,0,0,1|3,0,0]=4 53 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [0,0,0,0,0,1|3,0,0]=4 54 B11R1.28 NNCCCC1=CC=NC=C1 PH019436 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.28 NNCCCC1=NC=CC=C1 PH019447 [0,0,0,0,0,1|3,0,0]=4 56 B11R1.28 OCCCNC1=NC=CC=C1 EME00343 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.28 OCCNCC1=NC=CC=C1 PH014542 [0,0,0,0,0,1|3,0,0]=4 59 B8R0.1 C/C=C\C(O)CCCC S364290 [1,0,1,0,0,0|0,0,2]=4 60 B8R0.6 C=CC(=O)OCCCC S444715 [1,0,1,0,0,0|1,0,1]=4 61 B8R1.8 CCCN1C=CC=C1 PH010280 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.8 CNCC1=CC=CS1 CDS004831 [2,0,0,0,0,0|1,1,0]=4 63 B8R1.8 CNCC1=CC=CS1 PH012021 [2,0,0,0,0,0|1,1,0]=4 64 B8R1.8 N#CCC1=CC=CO1 JRD0290 [2,0,0,0,0,0|1,0,1]=4 65 B8R1.8 NCCC1=CC=CO1 CBR02448 [2,0,0,0,0,0|1,0,0]=3 66 B10R0.6 CCCCCC(=O)C=C(C)C T270466 [0,1,1,0,0,0|0,0,2]=4 67 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [0,1,1,0,0,0|0,0,1]=3 68 B10R0.74 C(=O)/C(=C/C=C/CCCC)/C S881708 [0,1,1,0,0,0|0,0,2]=4 69 B10R1.11 CCCC(=O)C1=CC=CO1 S593230 [1,1,0,0,0,0|0,0,1]=3 70 B10R1.11 CCCC(=O)C1=CC=CS1 S410160 [1,1,0,0,0,0|0,1,1]=4 71 B10R1.11 CCCC(N)C1=CC=CS1 CBR00906 [1,1,0,0,0,0|0,1,0]=3 72 B10R1.11 CNC[C@@H](O)C1=CC=CO1 PH008825 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.16 C(=O)CCC1=CC=C(O1)C L159719 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.16 C=CCCC1=CC=C(O1)C L159794 [1,1,0,0,0,0|0,0,2]=4 75 B10R1.66 CC(C)/N=C/C1=CC=CO1 PH008255 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.66 CC(N)CCN1C=CC=N1 CBR01361 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.1 CC1=CC=C(C=C1)CCCCO JRD0946 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.1 CCCCOC1=CC=C(C=C1)Br PH014759 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.1 CCCCOC1=CC=C(C=N1)N S357502 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.1 CCCCSC1=CC=C(C=C1)C S799149 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.1 CCCNCC1=CC=C(C=C1)Cl PH010169 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.1 OCCCCC1=CC=C(C=C1)Br JRD0948 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.1 OCCCCC1=CC=C(C=C1)Cl JRD0947 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.1 OCCCCC1=CC=C(C=C1)F JRD0949 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [0,1,0,0,0,1|1,0,0]=3 86 B12R1.8 BrCCCCSC1=CC=CC=C1 PH010302 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [0,1,0,0,0,1|1,0,0]=3 88 B12R1.8 CCCCCOC1=CN=CC=C1 S417505 [0,1,0,0,0,1|1,0,0]=3 89 B12R1.8 CCCCN=CC1=CC=CC=C1 S381322 [0,1,0,0,0,1|1,0,1]=4 90 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [0,1,0,0,0,1|1,0,0]=3 91 B12R1.8 CCCNCCC1=NC=CC=C1 VBP00004 [0,1,0,0,0,1|1,0,0]=3 92 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [0,1,0,0,0,1|1,0,0]=3 93 B12R1.8 CCNCCOC1=CC=CC=C1 CBR00951 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.8 CNCCCCC1=CN=CC=N1 PH012752 [0,1,0,0,0,1|1,0,0]=3 95 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.8 ClCCCOCC1=CC=CC=C1 PH011743 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.8 N#CCCCCC1=CC=CC=C1 PH002674 [0,1,0,0,0,1|1,0,1]=4 98 B12R1.8 NNCCCCC1=CC=CC=C1 PH018955 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.8 OCCCNCC1=CC=CC=C1 S376310 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.8 OCCCNCC1=CC=CC=N1 S355275 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.8 OCCCSCC1=CC=CC=C1 T166324 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.8 OCCSCCC1=NC=CC=C1 PH011432 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,1,0,0,0,1|1,0,1]=4 104 B12R1.28 CCCCOC1=CC=CC(=C1)N CBR00368 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.28 CCCCOC1=CC=CC(=C1)O PH015345 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.28 CCOCCC1=CC=CC(=N1)C S361399 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [0,1,0,0,0,1|1,0,0]=3 108 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [0,1,0,0,0,1|1,0,0]=3 109 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [0,1,0,0,0,1|2,0,0]=4 110 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [0,1,0,0,0,1|2,0,0]=4 111 B12R1.252 CC(C)NCCC1=CC=CC=N1 PH010347 [0,1,0,0,0,1|2,0,0]=4 112 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [0,1,0,0,0,1|1,0,0]=3 113 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.252 [SiH](C)(C)CCCC1=CC=CC=C1 S829870 [0,1,0,0,0,1|1,1,0]=4 118 B12R1.267 CCCCOC1=CC=CC=C1C S518476 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.267 CCCCOC1=CC=CC=C1N CDS001693 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.267 CCCNCC1=CC=CC=C1N PH010097 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.35 CCCCCC(=O)C1=CC=CO1 CDS001493 [0,2,0,0,0,0|0,0,0]=2 122 B12R1.255 O=C(O)CCCCC1=CC=CS1 R436631 [0,2,0,0,0,0|0,1,1]=4 123 B12R1.477 COC(=O)CCCC1=CC=CS1 EME00030 [0,2,0,0,0,0|0,1,1]=4 124 B12R1.477 O=C(CCl)CNCC1=CC=CO1 TMT00389 [0,2,0,0,0,0|1,0,1]=4 125 B12R1.456 CCCCCC1=CC(=O)CC1C T202762 [0,2,0,0,0,0|1,0,1]=4 126 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [0,0,1,1,0,0|0,0,2]=4 127 B10R1.78 C=C1C=CC=CCCCC1 T211605 [0,0,1,1,0,0|1,0,1]=4 128 B10R1.78 O=C1C=CC=CCCCC1 T211648 [0,0,1,1,0,0|0,0,2]=4 129 B10R1.78 O=C1C=CCCCCCC1 L169854 [0,0,1,1,0,0|0,0,2]=4 130 B10R1.377 C=CCC1(CCCCC1)O S429104 [0,0,1,1,0,0|0,0,2]=4 131 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [0,0,1,1,0,0|2,0,0]=4 132 B10R2.7 C1=CN2CCNCC2=C1 T321451 [1,0,0,1,0,0|2,0,0]=4 133 B10R2.7 C1=NC2=C(N1)CCCC2 T323586 [1,0,0,1,0,0|2,0,0]=4 134 B10R2.32 NC1CCC2=C1C=CS2 CDS009121 [1,0,0,1,0,0|1,1,0]=4 135 B12R2.2 C1=CC(=CC=N1)C2CCCN2 CDS006470 [0,0,0,1,0,1|2,0,0]=4 136 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [0,0,0,1,0,1|1,0,0]=3 137 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [0,0,0,1,0,1|1,0,0]=3 138 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [0,0,0,1,0,1|2,0,0]=4 139 B12R2.2 C1=CC=C(N=C1)C2CCCN2 MNO000103 [0,0,0,1,0,1|2,0,0]=4 140 B12R2.2 C1=CN=C(C=C1)N2CCCC2 EME00323 [0,0,0,1,0,1|2,0,0]=4 141 B12R2.2 C1=CN=C(N=C1)C2CCCN2 PH019520 [0,0,0,1,0,1|2,0,0]=4 142 B12R2.1081 OC1CCCC2=CC=CN=C12 CDS003538 [0,0,0,1,0,1|2,0,0]=4 143 B12R2.2057 C1=CC(=CC=N1)CNC2CC2 CBR02374 [0,0,0,1,0,1|2,0,0]=4 144 B12R2.2057 C1=CC=C(C=C1)CNC2CC2 CDS004803 [0,0,0,1,0,1|2,0,0]=4 145 B12R2.2057 C1=CN=CC(=C1)CNC2CC2 CBR02375 [0,0,0,1,0,1|2,0,0]=4 146 B12R2.315 CCC1NCCN2C1=CC=C2 CBR00757 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.6 CC1=COC(=C1)C2SCCS2 T239194 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.6 CC1=NOC(=C1)C2CCCN2 CBR00159 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.6 NC1=NN=C(O1)C2CCCC2 CBR01320 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.202 CC1=CC2=C(O1)CCCC2=O CBR01359 [0,1,0,1,0,0|1,0,1]=4 151 B12R2.1041 NC1=NC2=C(S1)CCCCC2 CBR00338 [0,1,0,1,0,0|1,1,0]=4