0 B11R1.742 CC(O)CN1CCCCCC1 S350524 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.742 O=C(O)CN1CCCCCC1 CBR00324 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.85 CCCN1CCCNCC1 PH014388 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.85 CCNC1CCCCCC1 CBR00395 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.85 ClCCN1CCCCCC1 CDS001460 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.85 N#CCN1CCCCCC1 S369071 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.85 NCCC1CCCCCC1 CBR01497 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.85 OCCN1CCCCCC1 S362328 [1,0,0,0,0,0|0,0,0]=1 8 B12R1.1020 CN1CCCN(CC1)CC(=O)O CBR00721 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.1020 CN1CCCN(CC1)CC(=O)O PH017382 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.2197 CC(C(=O)O)N1CCCCCC1 R690996 [0,1,0,0,0,0|1,0,1]=3 11 B12R1.2240 CC(C)(C)N=C1CCCCCC1 S886068 [0,1,0,0,0,0|3,0,0]=4 12 B10R0.4 CC(C)CCCCCCCO PH008704 [0,0,1,0,0,0|3,0,0]=4 13 B10R0.4 CC(O)COCCOCCO S346039 [0,0,1,0,0,0|3,0,0]=4 14 B10R0.4 CCCCCCCCC(C)N T151068 [0,0,1,0,0,0|2,0,0]=3 15 B10R0.6 CCCCCC(C)NC(C)C PH013772 [0,0,1,0,0,0|3,0,0]=4 16 B10R0.6 CCCCCC(O)CC(C)C S417432 [0,0,1,0,0,0|3,0,0]=4 17 B10R0.79 CCCN(CCC)CC(C)O S347779 [0,0,1,0,0,0|0,0,0]=1 18 B10R1.18 CC(=CN1CCCCC1)C S354880 [0,0,0,0,1,0|1,0,2]=4 19 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [0,0,0,0,1,0|1,0,2]=4 20 B10R1.18 CC(=O)CN1CCCCC1 R433675 [0,0,0,0,1,0|0,0,2]=3 21 B10R1.18 CC(=O)CN1CCOCC1 CDS006278 [0,0,0,0,1,0|1,0,2]=4 22 B10R1.18 CC(C)CC1CCCCC1 S564869 [0,0,0,0,1,0|2,0,0]=3 23 B10R1.18 CC(C)CN1CCOCC1 S518409 [0,0,0,0,1,0|2,0,0]=3 24 B10R1.18 CC(N)CN1CCOCC1 CBR00001 [0,0,0,0,1,0|2,0,0]=3 25 B10R1.18 CC(O)CN1CCCCC1 S418854 [0,0,0,0,1,0|0,0,0]=1 26 B10R1.18 CC(O)CN1CCOCC1 S362727 [0,0,0,0,1,0|1,0,0]=2 27 B10R1.18 NC(=O)CN1CCCCC1 OTV000055 [0,0,0,0,1,0|1,0,2]=4 28 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [0,0,0,0,1,0|1,0,1]=3 29 B10R1.18 O=C(O)CN1CCCCC1 L481130 [0,0,0,0,1,0|1,0,1]=3 30 B10R1.18 O=C(O)CN1CCOCC1 ANV00112 [0,0,0,0,1,0|2,0,1]=4 31 B10R1.18 O=C(O)CN1CCOCC1 CDS007579 [0,0,0,0,1,0|2,0,1]=4 32 B10R1.18 OB(O)CC1CCCCC1 CDS004056 [0,0,0,0,1,0|3,0,0]=4 33 B10R1.348 NC(=S)N1CCCCCC1 CBR01182 [0,0,0,0,1,0|1,1,1]=4 34 B12R1.1343 O=C(O)CCN1CCCCCC1 T318035 [0,0,0,0,0,1|1,0,1]=3 35 B12R1.1392 O=C(O)CN1CCCCCCC1 T318949 [0,0,0,0,0,1|1,0,1]=3 36 B9R0.2 CCCCCCCC(C)Br S438758 [1,0,1,0,0,0|1,0,0]=3 37 B9R0.45 CCCCCCCCNC CDS003222 [1,0,1,0,0,0|2,0,0]=4 38 B9R0.45 CCCCCCSCCO S362344 [1,0,1,0,0,0|1,0,0]=3 39 B9R0.45 CCCCCNCCCC OTV000733 [1,0,1,0,0,0|2,0,0]=4 40 B9R0.45 CCCCNCCCCO PH011467 [1,0,1,0,0,0|2,0,0]=4 41 B9R0.45 CCCSCCSCCC S347841 [1,0,1,0,0,0|2,0,0]=4 42 B9R0.5 CCCCCC(=O)CCC S411825 [1,0,1,0,0,0|2,0,0]=4 43 B9R0.5 CCCCCC(C)CCC S431648 [1,0,1,0,0,0|1,0,0]=3 44 B9R0.5 CCCCCC(C)CCN PH007332 [1,0,1,0,0,0|2,0,0]=4 45 B9R0.17 CCCN(CC#N)CCC S347744 [1,0,1,0,0,0|1,0,1]=4 46 B9R0.17 CCCN(CCC)CCC S429384 [1,0,1,0,0,0|0,0,0]=2 47 B9R0.17 CCCN(CCC)CCC S503630 [1,0,1,0,0,0|0,0,0]=2 48 B9R0.17 CCCN(CCC)CCN PH014853 [1,0,1,0,0,0|1,0,0]=3 49 B9R0.17 CCCP(CCC)CCC S741892 [1,0,1,0,0,0|0,1,0]=3 50 B9R0.17 NCCN(CCO)CCO S764817 [1,0,1,0,0,0|2,0,0]=4 51 B9R0.40 CCCCN(C=O)CCO PH000614 [1,0,1,0,0,0|1,0,1]=4 52 B9R0.40 CCCCN(CC)CC#N S343005 [1,0,1,0,0,0|1,0,1]=4 53 B9R0.40 CCN(CCO)CCCN PH009963 [1,0,1,0,0,0|1,0,0]=3 54 B9R1.89 C(=O)N1CCCCCC1 S430455 [2,0,0,0,0,0|0,0,2]=4 55 B9R1.89 CCC1CCCNCC1 CBR01788 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.89 CCN1CCCNCC1 CBR02337 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.89 CNC1CCCCCC1 CBR00882 [2,0,0,0,0,0|2,0,0]=4 58 B11R0.2 CCCCCCC(=O)CC(C)C S350567 [0,1,1,0,0,0|2,0,0]=4 59 B11R0.40 CCCCCCCCC(O)C#N PH007041 [0,1,1,0,0,0|1,0,1]=4 60 B11R0.40 CCCCCCCCC([NH3+])CO L498629 [0,1,1,0,0,0|2,0,0]=4 61 B11R0.148 CCCCCCCCCC(C)Br S452572 [0,1,1,0,0,0|2,0,0]=4 62 B11R0.148 CCCCCCCCCC(C)N S540293 [0,1,1,0,0,0|2,0,0]=4 63 B11R0.324 CCCCCC(C)(O)CC(C)C S612448 [0,1,1,0,0,0|2,0,0]=4 64 B11R0.35 CC(C)CN(CCN)CC(C)C PH011106 [0,1,1,0,0,0|2,0,0]=4 65 B11R0.35 CC(O)CN(CCO)CC(C)O S342297 [0,1,1,0,0,0|1,0,0]=3 66 B11R0.279 CCCN(CCC)CC(O)CC S619957 [0,1,1,0,0,0|0,0,0]=2 67 B11R0.279 CCCN(CCC)CC(O)CO R750913 [0,1,1,0,0,0|0,0,0]=2 68 B11R1.135 CN1CCCN(CC1)CCN PH016273 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.203 CCCCC1CCCCCN1 PH015579 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.203 CNCCN1CCCCCC1 PH017966 [1,1,0,0,0,0|0,0,0]=2 71 B11R1.203 N#CCCN1CCCCCC1 S369098 [1,1,0,0,0,0|0,0,1]=3 72 B11R1.203 NCCCN1CCCCCC1 PH005125 [1,1,0,0,0,0|0,0,0]=2 73 B11R1.203 OCCCN1CCCCCC1 CBR00469 [1,1,0,0,0,0|0,0,0]=2 74 B11R1.852 O=C(CCl)N1CCCCCC1 PH010548 [1,1,0,0,0,0|1,0,1]=4 75 B11R1.20 NC1CCN(CC1)CC(=O)O CBR00672 [0,1,0,0,1,0|1,0,1]=4 76 B11R1.36 CC(O)C(=O)N1CCCCC1 PH010530 [0,1,0,0,1,0|0,0,1]=3 77 B11R1.36 CC(O)C(C)C1CCCCC1 R228133 [0,1,0,0,1,0|1,0,0]=3 78 B11R1.36 CC(O)C(C)C1CCCCC1 S325317 [0,1,0,0,1,0|1,0,0]=3 79 B11R1.40 CC(CCl)CN1CCCCC1 PH014097 [0,1,0,0,1,0|1,0,0]=3 80 B11R1.40 CC(CN)CN1CCCCC1 PH010487 [0,1,0,0,1,0|1,0,0]=3 81 B11R1.40 CC(CN)CN1CCOCC1 OTV000606 [0,1,0,0,1,0|2,0,0]=4 82 B11R1.40 CCC(N)CN1CCCCC1 CDS001860 [0,1,0,0,1,0|1,0,0]=3 83 B11R1.40 OCC(O)CN1CCNCC1 PH015129 [0,1,0,0,1,0|1,0,0]=3 84 B11R1.86 CC(=O)CN1CCCCC1C R433667 [0,1,0,0,1,0|0,0,2]=4 85 B11R1.86 CC(C)C[C@H]1CCCC[C@H]1N PH018572 [0,1,0,0,1,0|2,0,0]=4 86 B11R1.86 CC(O)CN1CCCCC1C PH015080 [0,1,0,0,1,0|0,0,0]=2 87 B11R1.157 CC1CCCN(C1)CC(=O)O CBR00247 [0,1,0,0,1,0|1,0,1]=4 88 B11R1.509 CC(C)(N)CN1CCOCC1 CBR01946 [0,1,0,0,1,0|2,0,0]=4 89 B13R1.2620 CCC(Br)C(=O)N1CCCCCC1 PH015205 [0,2,0,0,0,0|1,0,1]=4 90 B11R1.91 C=C(C)CNC1CCCCC1 PH012104 [0,0,1,1,0,0|1,0,1]=4 91 B11R1.91 CC(O)CNC1CCCCC1 PH010876 [0,0,1,1,0,0|0,0,0]=2 92 B11R1.91 CC(O)CNC1CCCCC1 S509108 [0,0,1,1,0,0|0,0,0]=2 93 B11R1.91 O=C(O)CNC1CCCCC1 PH010418 [0,0,1,1,0,0|1,0,1]=4 94 B11R1.543 CC1(CCCCCCCC1)O T211540 [0,0,1,1,0,0|1,0,0]=3 95 B11R1.43 CC(C)CN1CCC(C1)CN CBR01867 [0,0,1,1,0,0|2,0,0]=4 96 B11R2.10 OC1CC2CCCCN2C1 CDS024575 [0,0,0,1,1,0|0,0,0]=2 97 B11R2.238 C1CN(CCO1)CC2CO2 CDS003115 [0,0,0,1,1,0|1,0,0]=3 98 B9R1.8 ClCCN1CCCCC1 PH010519 [1,0,0,0,1,0|1,0,0]=3 99 B9R1.8 N#CCN1CCCCC1 S409871 [1,0,0,0,1,0|1,0,1]=4 100 B9R1.8 N1CCC(CC1)CCC S409944 [1,0,0,0,1,0|2,0,0]=4 101 B9R1.8 NCCC1CCCCC1 CDS013643 [1,0,0,0,1,0|2,0,0]=4 102 B9R1.8 OCCC1CCCCO1 T177393 [1,0,0,0,1,0|2,0,0]=4 103 B9R1.8 SCCN1CCOCC1 CDS010625 [1,0,0,0,1,0|1,1,0]=4 104 B9R1.6 CC(O)C1=CCCCC1 PH015453 [0,0,0,0,2,0|1,0,1]=4 105 B9R1.13 CC(N)CN1CCCC1 CBR01743 [0,0,0,0,2,0|1,0,0]=3 106 B9R1.13 CC(O)CN1CCCC1 S370576 [0,0,0,0,2,0|0,0,0]=2 107 B9R1.13 O=C(O)CN1CCCC1 ANV00142 [0,0,0,0,2,0|1,0,1]=4 108 B9R1.13 O=C(O)CN1CCCC1 L481092 [0,0,0,0,2,0|1,0,1]=4 109 B11R0.164 CCCCC(CC)CCC(C)O S368954 [0,0,1,0,0,1|1,0,0]=3 110 B11R1.117 NCCC1CCCCCCC1 CBR01321 [1,0,0,0,0,1|2,0,0]=4 111 B8R0.4 CCCCCCCSC S570729 [2,0,1,0,0,0|1,0,0]=4 112 B8R0.4 CCCCCSCCO S357928 [2,0,1,0,0,0|1,0,0]=4 113 B8R0.4 CCCCNCCCC S367869 [2,0,1,0,0,0|1,0,0]=4 114 B8R0.4 CCCCNCCCC S503894 [2,0,1,0,0,0|1,0,0]=4 115 B8R0.4 CCCCNCCCC S566152 [2,0,1,0,0,0|1,0,0]=4 116 B8R0.4 CCNCCCCCO PH007898 [2,0,1,0,0,0|1,0,0]=4 117 B8R0.4 COCCCNCCO OTV000453 [2,0,1,0,0,0|1,0,0]=4 118 B8R0.4 CSCCCCCCO S931667 [2,0,1,0,0,0|1,0,0]=4 119 B8R0.4 [NH2+](CCCC)CCCC S348880 [2,0,1,0,0,0|1,0,0]=4 120 B8R0.7 CCCCCCC(C)C S430935 [2,0,1,0,0,0|1,0,0]=4 121 B8R0.7 CCCCCCC(C)Cl S564516 [2,0,1,0,0,0|1,0,0]=4 122 B8R0.1 CCCCN(C)CCN PH014575 [2,0,1,0,0,0|1,0,0]=4 123 B8R0.1 CCCCN(C)CCO PH017931 [2,0,1,0,0,0|0,0,0]=3 124 B10R0.74 CCCCCCCC(O)CC CDS001495 [1,1,1,0,0,0|0,0,0]=3 125 B10R0.75 CCCCCCC(O)C(C)C S417424 [1,1,1,0,0,0|1,0,0]=4 126 B10R0.71 CCCCCCCCCCF S570354 [1,1,1,0,0,0|1,0,0]=4 127 B10R0.71 CCCCCCCCSCC S570656 [1,1,1,0,0,0|1,0,0]=4 128 B10R0.71 CCCCCCCSCCO S362220 [1,1,1,0,0,0|1,0,0]=4 129 B10R0.71 CCCCCCNCCCC OTV000454 [1,1,1,0,0,0|0,0,0]=3 130 B10R0.71 CCCCCCOCCCN S392022 [1,1,1,0,0,0|1,0,0]=4 131 B10R0.71 CCCCCNCCCCC S503770 [1,1,1,0,0,0|1,0,0]=4 132 B10R0.71 [NH2+](CCCCl)CCCCCC R738158 [1,1,1,0,0,0|0,0,1]=4 133 B10R0.156 CCCCCC(C)(O)CCC S417459 [1,1,1,0,0,0|1,0,0]=4 134 B10R0.90 CC#CCN(CCC)CCC PH007283 [1,1,1,0,0,0|0,0,1]=4 135 B10R0.90 CCCN(CCC)CCC#N S347787 [1,1,1,0,0,0|0,0,1]=4 136 B10R0.90 CCCN(CCC)CCCN PH014822 [1,1,1,0,0,0|0,0,0]=3 137 B10R0.90 NCCCN(CCO)CCO PH010627 [1,1,1,0,0,0|1,0,0]=4 138 B10R1.1 CCCN1CCC(CC1)C S647748 [1,1,0,0,1,0|0,0,0]=3 139 B10R1.1 CCCN1CCC(CC1)N CDS003686 [1,1,0,0,1,0|0,0,0]=3 140 B10R1.1 CCCN1CCC(CC1)O CDS023463 [1,1,0,0,1,0|0,0,0]=3 141 B10R1.1 NCCN1CCC(CC1)O CDS002685 [1,1,0,0,1,0|1,0,0]=4 142 B10R1.4 CC1CCCCN1CCN PH015207 [1,1,0,0,1,0|1,0,0]=4 143 B10R1.4 CCCC1CCCCC1O S365769 [1,1,0,0,1,0|1,0,0]=4 144 B10R1.15 CC(CN)N1CCCCC1 CDS009813 [1,1,0,0,1,0|1,0,0]=4 145 B10R1.15 CC(CO)C1CCCCC1 PH015232 [1,1,0,0,1,0|1,0,0]=4 146 B10R1.15 CCC(O)C1CCCCC1 PH000035 [1,1,0,0,1,0|1,0,0]=4 147 B10R1.17 BrCCCC1CCCCC1 S345016 [1,1,0,0,1,0|1,0,0]=4 148 B10R1.17 CCCCN1CCOCC1 S551961 [1,1,0,0,1,0|1,0,0]=4 149 B10R1.17 CCCNC1CCCCC1 CDS008806 [1,1,0,0,1,0|1,0,0]=4 150 B10R1.17 CNCCN1CCOCC1 CDS008441 [1,1,0,0,1,0|1,0,0]=4 151 B10R1.17 ClCCCC1CCCCC1 R426857 [1,1,0,0,1,0|1,0,0]=4 152 B10R1.17 N#CCCN1CCCCC1 PH016680 [1,1,0,0,1,0|0,0,1]=4 153 B10R1.17 NOCCN1CCOCC1 T160970 [1,1,0,0,1,0|1,0,0]=4 154 B10R1.17 OCCNC1CCCCC1 T308269 [1,1,0,0,1,0|1,0,0]=4 155 B10R1.17 [C-]#[N+]CCN1CCCCC1 PH015020 [1,1,0,0,1,0|0,0,1]=4 156 B10R1.13 CC(C)N1CCC(CC1)N CDS007349 [0,1,0,0,2,0|1,0,0]=4 157 B10R1.13 CC(C)N1CCC(CC1)N L480754 [0,1,0,0,2,0|1,0,0]=4 158 B10R1.13 CC1CCC(CC1)C(C)O PH000605 [0,1,0,0,2,0|1,0,0]=4 159 B10R1.28 CC(C)(O)C1CCCCC1 T294985 [0,1,0,0,2,0|1,0,0]=4 160 B10R1.61 CC(O)C1CCCCC1O S362417 [0,1,0,0,2,0|1,0,0]=4 161 B10R1.23 CC(O)C(=O)N1CCCC1 PH010531 [0,1,0,0,2,0|0,0,1]=4 162 B10R1.27 OCC(O)CN1CCCC1 R260398 [0,1,0,0,2,0|0,0,0]=3 163 B10R1.281 CC(C)(N)CN1CCCC1 CDS009596 [0,1,0,0,2,0|1,0,0]=4 164 B12R0.216 CCCCC(CC)CCC(O)CC S392065 [0,1,1,0,0,1|1,0,0]=4 165 B12R0.248 OCCCCCCCCC(O)CO CDS000271 [0,2,1,0,0,0|1,0,0]=4 166 B12R0.41 CC(C)CN(CC(C)C)CC(C)O PH010078 [0,2,1,0,0,0|0,0,0]=3 167 B12R0.242 CC(C)CN(CCCN)CC(C)C PH001547 [0,2,1,0,0,0|1,0,0]=4 168 B12R0.243 CCCCN(CCCC)CC(C)O S348856 [0,2,1,0,0,0|0,0,0]=3 169 B12R1.1414 CNCCCN1CCCCCC1 PH014363 [1,2,0,0,0,0|0,0,0]=3 170 B12R1.1414 N#CCCCN1CCCCCC1 S373508 [1,2,0,0,0,0|0,0,0]=3 171 B12R1.1414 NCCCCN1CCCCCC1 CBR02326 [1,2,0,0,0,0|0,0,0]=3 172 B12R1.1564 CCOC(=O)N1CCCCCC1 T168556 [1,2,0,0,0,0|0,0,1]=4 173 B12R1.49 CN1CCN(CC1)CC(O)CN PH019443 [0,2,0,0,1,0|1,0,0]=4 174 B12R1.32 COCC(O)CN1CCCCC1 PH013634 [0,2,0,0,1,0|0,0,0]=3 175 B12R1.32 COCC(O)CN1CCOCC1 PH013636 [0,2,0,0,1,0|1,0,0]=4 176 B12R1.194 CC(C)(CO)CN1CCOCC1 PH012152 [0,2,0,0,1,0|1,0,0]=4 177 B10R1.38 C[C@@]1(CCCC[C@H]1CN)O BBO000381 [1,0,1,1,0,0|1,0,0]=4 178 B10R1.78 CC1CCCCCCCC1 T187364 [1,0,1,1,0,0|1,0,0]=4 179 B10R1.11 CN(CCO)[C@@H]1CCNC1 PH019454 [1,0,1,1,0,0|1,0,0]=4 180 B10R1.172 CCN1CCCC(C1)CN PH009880 [1,0,1,1,0,0|1,0,0]=4 181 B10R2.7 C1CCC2CCCC2C1 S457272 [1,0,0,1,1,0|1,0,0]=4 182 B10R2.7 C1CC[C@@H]2CCC[C@@H]2C1 R289825 [1,0,0,1,1,0|1,0,0]=4 183 B10R2.7 C1CC[C@H]2CCCC2C1 R289841 [1,0,0,1,1,0|1,0,0]=4 184 B10R2.62 OC1CC2CCC1CC2 PH008493 [1,0,0,1,1,0|1,0,0]=4 185 B12R1.255 CC(O)CCCCC1CCCO1 R397423 [0,1,1,1,0,0|1,0,0]=4 186 B12R1.1280 CC1CCC(C(C1)(C)O)C(C)C S311359 [0,1,1,1,0,0|1,0,0]=4 187 B12R2.2918 CC1COC2(O1)CCCCC2 S363685 [0,0,1,2,0,0|1,0,0]=4 188 B12R2.2016 C1CCCCC2OC2CCC1 S765066 [0,0,1,2,0,0|1,0,0]=4 189 B12R2.2043 CCC12OCCN1CC(O2)C S502723 [0,0,1,2,0,0|1,0,0]=4 190 B12R2.2412 C12CCCCC1(CCCC2)O T185485 [0,0,1,2,0,0|1,0,0]=4 191 B12R2.41 C1CCC2CNCCN2CC1 PH016216 [1,1,0,1,0,0|0,0,0]=3 192 B12R2.4328 C1CCCC2(CC1)OCCO2 T168904 [1,1,0,1,0,0|1,0,0]=4 193 B12R2.94 NC1(CC1)CN2CCCCC2 CBR00666 [0,1,0,1,1,0|1,0,0]=4 194 B12R3.1614 C1CN2CCC1C3(C2)CO3 PH018268 [0,0,0,2,1,0|0,0,0]=3 195 B8R0.8 CCCCC(C)C(C)O S374199 [1,0,1,0,1,0|1,0,0]=4 196 B8R1.2 SCN1CCCCC1 S302953 [2,0,0,0,1,0|0,1,0]=4 197 B8R1.8 ClCCN1CCCC1 CDS008148 [1,0,0,0,2,0|1,0,0]=4 198 B8R1.8 OCCN1CCOC1 PH015317 [1,0,0,0,2,0|1,0,0]=4