0 B12R1.28 CC1=CC(=CC=C1)SCCCCl S799289 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.28 CC1=CC=CC(=C1)OCCCBr PH000366 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.28 CCCCOC1=CC=CC(=C1)N CBR00368 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.28 CCCCOC1=CC=CC(=C1)O PH015345 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.28 CCOCCC1=CC=CC(=N1)C S361399 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.28 COCCOC1=CC(=CC=C1)N CBR01420 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.28 ClC1=CC(=CC=C1)OCCCBr PH000250 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.28 NCCCOC1=CC=CC(=C1)Cl CDS002045 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.24 CCCOC1=CC=CC(=C1)N CDS001846 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.24 COCCC1=CC=CC(=N1)C S369543 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.24 ClC1=CC(=CC=C1)CCCBr PH011322 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.28 CCCCOC1=NC=CC=C1 S434299 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.28 CCCCSC1=NC=CC=N1 PH008617 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.28 CCNCCC1=CC=CC=N1 S361453 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.28 CCNCCC1=CC=NC=C1 OTV000969 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.28 COCCOC1=CC=CC=C1 S793000 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.28 NCCCNC1=CC=CC=N1 PH014605 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.28 NNCCCC1=NC=CC=C1 PH019447 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.28 OCCCNC1=NC=CC=C1 EME00343 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.28 OCCNCC1=NC=CC=C1 PH014542 [1,0,0,0,0,0|3,0,0]=4 36 B13R1.6 CC1=CC(=CC=C1)OCCCCCl S363707 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.6 CCCCCSC1=NN=CC(=O)N1 L136395 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.6 CCNCCOC1=CC=CC(=C1)C PH012546 [0,1,0,0,0,0|3,0,0]=4 39 B13R1.6 CNCCCOC1=CC=CC(=C1)Cl CBR00243 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.6 ClC1=CC(=CC=C1)OCCCCBr PH011043 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.6 NCCCCOC1=CC=CC(=C1)O PH012980 [0,1,0,0,0,0|2,0,1]=4 42 B13R1.18 CCCCC(O)C1=C[N+](=CC=C1)[O-] S668249 [0,1,0,0,0,0|2,0,1]=4 43 B13R1.666 CCCCOC1=CC=CC(=C1)C=O PH010584 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.666 O=CC1=CC=CC(=C1)OCCCCl PH016048 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.669 CCCCOC1=CC=C(C(=C1)C)N CDS012609 [0,1,0,0,0,0|3,0,0]=4 46 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [0,0,1,0,0,0|0,0,2]=3 47 B13R2.13 BrC1=CC=CC(=C1)N2CCCC2 CDS023882 [0,0,0,1,0,0|3,0,0]=4 48 B13R2.13 ClC1=CC=CC(=C1)C2CCNC2 CBR02308 [0,0,0,1,0,0|3,0,0]=4 49 B13R2.13 ClC1=CC=CC(=N1)N2CCCC2 T324396 [0,0,0,1,0,0|3,0,0]=4 50 B13R2.5179 CC1CCCC2=C1C=CC(=C2)O S956082 [0,0,0,1,0,0|1,0,1]=3 51 B13R2.5179 O=C1C=CC2=C(N1)CCCC2=O T326186 [0,0,0,1,0,0|2,0,1]=4 52 B13R2.5331 BrC1=CC(=CC=C1)SCC2CC2 SYX00131 [0,0,0,1,0,0|3,0,0]=4 53 B13R2.5331 BrC1=CC=CC(=C1)OCC2CC2 CDS023759 [0,0,0,1,0,0|3,0,0]=4 54 B13R2.5331 ClC1=CC(=CC=C1)CNC2CC2 CBR00952 [0,0,0,1,0,0|3,0,0]=4 55 B11R1.180 CCCCCN1C=CSC1=N PH013475 [0,0,0,0,1,0|3,0,0]=4 56 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [1,0,1,0,0,0|0,0,1]=3 57 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [2,0,0,0,0,0|1,0,1]=4 58 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.17 CNCCC1=NC=CC=C1 R750492 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [2,0,0,0,0,0|1,1,0]=4 64 B12R0.255 CCCCCOC(=O)/C=C/C(=O)O PH000582 [0,1,1,0,0,0|1,0,0]=3 65 B12R1.382 CCCOC1=CC=CC(=C1)C=O CDS007421 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.385 CCCCC1=CC(=C(C=C1)N)C CDS010548 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.1 CC1=CC=C(C=C1)CCCCO JRD0946 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.1 CCCCOC1=CC=C(C=C1)Br PH014759 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.1 CCCCOC1=CC=C(C=N1)N S357502 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.1 CCCCSC1=CC=C(C=C1)C S799149 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.1 CCCNCC1=CC=C(C=C1)Cl PH010169 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.1 OCCCCC1=CC=C(C=C1)Br JRD0948 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.1 OCCCCC1=CC=C(C=C1)Cl JRD0947 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.1 OCCCCC1=CC=C(C=C1)F JRD0949 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.8 BrCCCCSC1=CC=CC=C1 PH010302 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.8 CCCCCOC1=CN=CC=C1 S417505 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.8 CCCCN=CC1=CC=CC=C1 S381322 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.8 CCCNCCC1=NC=CC=C1 VBP00004 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [1,1,0,0,0,0|1,0,0]=3 83 B12R1.8 CCNCCOC1=CC=CC=C1 CBR00951 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.8 CNCCCCC1=CN=CC=N1 PH012752 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.8 ClCCCOCC1=CC=CC=C1 PH011743 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.8 N#CCCCCC1=CC=CC=C1 PH002674 [1,1,0,0,0,0|1,0,1]=4 88 B12R1.8 NNCCCCC1=CC=CC=C1 PH018955 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.8 OCCCNCC1=CC=CC=C1 S376310 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.8 OCCCNCC1=CC=CC=N1 S355275 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.8 OCCCSCC1=CC=CC=C1 T166324 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.8 OCCSCCC1=NC=CC=C1 PH011432 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.252 CC(C)NCCC1=CC=CC=N1 PH010347 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.252 [SiH](C)(C)CCCC1=CC=CC=C1 S829870 [1,1,0,0,0,0|1,1,0]=4 105 B12R1.267 CCCCOC1=CC=CC=C1C S518476 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.267 CCCCOC1=CC=CC=C1N CDS001693 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.267 CCCNCC1=CC=CC=C1N PH010097 [1,1,0,0,0,0|2,0,0]=4 108 B14R1.26 CCCCCCOC1=CC(=CC=C1)N S183342 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.26 CNCCCCOC1=CC=CC(=C1)O PH012988 [0,2,0,0,0,0|1,0,1]=4 110 B14R1.228 CCCCCOC1=CC(=CC=C1)C=O PH010585 [0,2,0,0,0,0|1,0,0]=3 111 B14R1.899 CCCSCC1=CC=CC(=C1)C(=O)O PH016793 [0,2,0,0,0,0|2,0,0]=4 112 B14R1.907 CCCCOC1=CC(=C(C=C1)O)C=O ASX00138 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.1392 CC(=O)OC1=CCCCCCC1 S39196 [0,0,1,1,0,0|0,0,2]=4 114 B12R1.1392 CC(=O)OC1C=CCCCCC1 T172537 [0,0,1,1,0,0|0,0,2]=4 115 B12R1.35 CCCCCC(=O)C1=CC=CO1 CDS001493 [0,0,1,1,0,0|0,0,2]=4 116 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 T263664 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.1081 BrC1=CC=CC2=C1CCCC2 CDS007742 [1,0,0,1,0,0|2,0,0]=4 118 B12R2.1081 NC1=CC=CC2=C1CCCC2 T281816 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [1,0,0,1,0,0|1,0,0]=3 120 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [1,0,0,1,0,0|1,0,0]=3 121 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [1,0,0,1,0,0|2,0,0]=4 122 B12R2.2 C1=CC=C(N=C1)C2CCCN2 MNO000103 [1,0,0,1,0,0|2,0,0]=4 123 B12R2.2 C1=CN=C(C=C1)N2CCCC2 EME00323 [1,0,0,1,0,0|2,0,0]=4 124 B12R2.2057 C1=CC=C(C=C1)CNC2CC2 CDS004803 [1,0,0,1,0,0|2,0,0]=4 125 B14R2.21 BrC1=CC(=CC=C1)N2CCCCC2 CDS022067 [0,1,0,1,0,0|2,0,0]=4 126 B14R2.21 CC1=CC=CC(=C1)C2CCCNC2 CBR01260 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.21 FC1=CC=CC(=C1)C2CCNCC2 CDS005497 [0,1,0,1,0,0|2,0,0]=4 128 B14R2.21 FC1=CC=CC(=C1)C2CCNCC2 CDS009654 [0,1,0,1,0,0|2,0,0]=4 129 B14R2.21 FC1=CC=CC(=C1)N2CCCCC2 PH013396 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.716 NC1=CC(=CC=C1)CN2CCCC2 CBR01277 [0,1,0,1,0,0|2,0,0]=4 131 B14R2.716 NC1=CC=CC(=C1)OC2CCCC2 T316377 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.716 OC1=CC=CC(=C1)CN2CCCC2 PH009277 [0,1,0,1,0,0|1,0,1]=4 133 B14R2.4471 NC1(CCCC1)C2=CC(=CC=C2)Cl OTV000621 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.6126 CC1=CC(=O)N2CCCCCC2=N1 R111171 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.21 CCCCCC1=NC=CN1 PH008606 [1,0,0,0,1,0|2,0,0]=4