0 B10R1.15 C1(C=CCC=C1)C(=O)OC T175234 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.15 CC(=C1CCCCC1)C#N T208450 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 CC(C=O)C1CCCCC1 PH015130 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 CC(CO)C1CCCCC1 PH015232 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 CCC(=O)C1CCCNC1 CBR01650 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 CCC(=O)N1CCNCC1 CDS004028 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.15 CCC(O)C1CCCCC1 PH000035 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.15 CCC(O)C1CCNCC1 CBR00138 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.15 CNC(=O)C1CCCNC1 CBR00913 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 CNC(=O)C1CCCNC1 CDS017102 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.15 CNC(=O)N1CCCCC1 S379557 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 CNC(=S)N1CCCCC1 TMT00166 [0,0,0,0,0,0|2,1,0]=3 12 B10R1.15 CNC(=S)N1CCOCC1 TMT00165 [0,0,0,0,0,0|3,1,0]=4 13 B10R1.15 CNC(C)C1CCCCC1 PH013058 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.15 COC(=O)C1CC=CCC1 EME00035 [0,0,0,0,0,0|0,0,2]=2 15 B10R1.15 COC(=O)C1CNCCO1 CDS024237 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.15 COC(=O)N1CCNCC1 CDS013607 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.15 COC(=O)[C@@H]1CCCNC1 CDS019515 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.15 NCC(=O)N1CCCCC1 CDS002437 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.15 NNC(=O)C1CCCCC1 R703435 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.15 O=C(CBr)N1CCCCC1 CBR00242 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.15 O=C(CI)N1CCCCC1 PH006191 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.6 CC(=O)C1CCCCC1 PH000084 [1,0,0,0,0,0|0,0,0]=1 23 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.6 CC(C)C1CCCCN1 PH003734 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.6 CC(C)C1CCNCC1 CDS000108 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.6 CN(C)C1CCNCC1 CDS003977 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.6 N1CCC(CC1)N(C)C S346675 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.6 N=C(N)N1CCCCC1 CDS014887 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.6 NC(=O)N1CCNCC1 CDS002866 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.6 NC(=S)C1CCNCC1 CBR01740 [1,0,0,0,0,0|2,1,0]=4 32 B9R1.6 O=C(Cl)C1CC=CCC1 PH015122 [1,0,0,0,0,0|1,0,2]=4 33 B9R1.6 O=C(Cl)C1CCOCC1 CDS016614 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.6 O=C(Cl)C1CCOCC1 SYX00374 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.6 O=C(O)C1=COCCC1 CDS022220 [1,0,0,0,0,0|1,0,2]=4 36 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.6 O=C(O)C1CCSCN1 CBR00886 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 O=C(O)C1CNCCN1 PH011527 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.6 O=C(O)C1CNCCO1 CDS017627 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 CCOC1CCCCO1 S359033 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.8 CCOC1CCNCC1 CBR01194 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 CNCC1CCCCO1 CDS005693 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.8 CNCC1CCOCC1 CDS009689 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 COCC1CCCCN1 CDS005671 [1,0,0,0,0,0|1,0,1]=3 46 B9R1.8 N1CCC(CC1)CCC S409944 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.8 NCCC1CCCCC1 CDS013643 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.7 CCS(=O)(=O)C1CCNCC1 OTV000793 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.7 O=S(=O)(CCl)C1CCCCC1 T300756 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.12 CCC(=C1CCCCC1)C#N S344974 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.16 CCCC(=O)C1CCNCC1 CBR00415 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.16 CCCC(O)C1CCCCC1 S447005 [0,1,0,0,0,0|1,0,2]=4 53 B11R1.16 CCOC(=O)C1CNCCO1 CDS014275 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 CDS003427 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.16 CN(CCN)C1CCCCC1 OTV000938 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.16 NC(CCO)C1CCCCC1 BBO000388 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.16 NC(CCO)C1CCCCC1 BBO000750 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.16 O=C(CCCl)N1CCSCC1 R305197 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.22 CC1CCN(CC1)C(=O)CCl PH010560 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.22 CCC(=O)N1CCC(=O)CC1 EME00459 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.22 CN1CCC(CC1)C(=O)NN CBR01645 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.22 COC(=O)C1=CCN(CC1)C PH003262 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.22 COC(=O)C1CCC(CC1)C PH001309 [0,1,0,0,0,0|0,0,0]=1 64 B11R1.23 CC1CCCN(C1)C(=O)CCl PH009869 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.23 COC(=O)C1CCCN(C1)C PH014092 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.23 COC(=O)[C@@H]1C[C@@H](CCN1)C PH019376 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.36 CC(=O)C(C)C1CCCCC1 S497606 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.36 CC(O)C(=O)N1CCCCC1 PH010530 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.36 CC(O)C(C)C1CCCCC1 R228133 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.36 CC(O)C(C)C1CCCCC1 S325317 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.36 CN(C)C(=O)C1CCCCC1 PH002758 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.36 CN(C)C(=O)C1CCNCC1 CDS014733 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.36 CN(C)C(=O)N1CCNCC1 CDS004099 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.222 CC1CCCCN1C(=O)CCl PH011442 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.222 COC(=O)C1CCCCC1O S764612 [0,1,0,0,0,0|0,0,0]=1 76 B11R1.222 COC(=O)C1COCCN1C PH018911 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.222 COC(=O)C1CSCCC1=O T162191 [0,1,0,0,0,0|1,0,1]=3 78 B11R1.222 COC(=O)C1NCCCC1O PH015818 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.878 CNC(=O)C1(CCCNC1)C CBR02419 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.878 COC(=O)C1(CCCCC1)N CDS013883 [0,1,0,0,0,0|0,0,0]=1 81 B11R1.878 COC(=O)C1(CCCCC1)O S39366 [0,1,0,0,0,0|0,0,0]=1 82 B11R1.878 COC(=O)C1(CCCCN1)C CBR01528 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.878 COC(=O)C1(CCCNC1)C CBR01681 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.878 COC(=O)C1(CCCNC1)C PHB00205 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.878 COC(=O)C1(CCNCC1)C CBR01555 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.878 COC(=O)C1(CCOCC1)F PHB00231 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.878 COC(=O)C1(CCOCC1)N PHB00282 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.878 COC(=O)C1(CCOCC1)O CDS021185 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.878 COC(=O)C1(CCOCC1)O PHB00297 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.878 O=C(CO)C1(CCCCC1)O T273163 [0,1,0,0,0,0|2,0,0]=3 91 B9R0.12 CCC(SC#N)C(=O)OC S521744 [0,0,1,0,0,0|2,0,1]=4 92 B9R0.46 CCCCC#CC(=O)OC PH000094 [0,0,1,0,0,0|0,0,2]=3 93 B9R0.46 CCCCCC/C(=N/O)/C S648302 [0,0,1,0,0,0|3,0,0]=4 94 B9R0.46 CCCCCNC(=O)CCl S627690 [0,0,1,0,0,0|3,0,0]=4 95 B9R0.46 COC(=O)CCCCCBr S125334 [0,0,1,0,0,0|1,0,0]=2 96 B11R2.1 O=C1CCC2C1CCCC2 T181331 [0,0,0,1,0,0|1,0,0]=2 97 B11R2.1 O=C1NN=C2C1CCCC2 R448818 [0,0,0,1,0,0|2,0,1]=4 98 B11R2.1 O=C1OC[C@H]2[C@@H]1CCOC2 PH016417 [0,0,0,1,0,0|1,0,0]=2 99 B11R2.1 [C@@H]12CCCC[C@@H]1C(=O)CC2 T181420 [0,0,0,1,0,0|1,0,0]=2 100 B11R2.40 NC1(CC1)C2CCCCC2 CBR00895 [0,0,0,1,0,0|2,0,1]=4 101 B11R2.40 OC1(CC1)C2CCCCC2 CDS024147 [0,0,0,1,0,0|1,0,2]=4 102 B11R2.54 CN1C(=O)C2C1CC=CC2 T173940 [0,0,0,1,0,0|1,0,2]=4 103 B11R2.54 [C@H]12OCCC[C@H]1C(=O)C2=C T219312 [0,0,0,1,0,0|2,0,1]=4 104 B11R2.367 CC1C(=O)C2CCN1CC2 PH008842 [0,0,0,1,0,0|2,0,0]=3 105 B11R2.368 O=C1C(=O)C2CCCC1C2 T247952 [0,0,0,1,0,0|2,0,0]=3 106 B9R1.11 CCC(=O)C1=CCCC1 T246662 [0,0,0,0,1,0|1,0,2]=4 107 B9R1.11 CCC(=O)C1CCOC1 CDS024301 [0,0,0,0,1,0|2,0,0]=3 108 B9R1.11 CNC(=O)C1CCCN1 CDS023077 [0,0,0,0,1,0|2,0,0]=3 109 B9R1.11 COC(=O)C1CCCN1 CDS003215 [0,0,0,0,1,0|1,0,0]=2 110 B9R1.11 COC(=O)C1CCCN1 CDS004943 [0,0,0,0,1,0|1,0,0]=2 111 B9R1.11 COC(=O)[C@@H]1CCOC1 PHB00042 [0,0,0,0,1,0|1,0,0]=2 112 B9R1.11 NNC(=O)C1CCCC1 CDS005918 [0,0,0,0,1,0|2,0,0]=3 113 B9R1.11 NNC(=O)C1CCCO1 CDS015210 [0,0,0,0,1,0|3,0,0]=4 114 B9R1.11 O=C(CCl)N1CCCC1 OTV000117 [0,0,0,0,1,0|3,0,0]=4 115 B11R1.40 C(=C1CCCCC1)C(=O)OC T184454 [0,0,0,0,0,1|0,0,1]=2 116 B11R1.40 CCC(=O)NC1CCCCC1 PH004228 [0,0,0,0,0,1|1,0,0]=2 117 B11R1.40 CNC(=O)NC1CCCCC1 S604569 [0,0,0,0,0,1|1,0,0]=2 118 B11R1.40 CNC(=S)NC1CCCCC1 PH010046 [0,0,0,0,0,1|1,1,0]=3 119 B11R1.40 COC(=O)CC1CCNCC1 CDS003616 [0,0,0,0,0,1|1,0,0]=2 120 B11R1.40 COC(=O)CN1CCNCC1 CBR01724 [0,0,0,0,0,1|2,0,0]=3 121 B11R1.40 NNC(=S)NC1CCCCC1 CDS004498 [0,0,0,0,0,1|2,1,0]=4 122 B11R1.40 O=C(CBr)OC1CCCCC1 PH001483 [0,0,0,0,0,1|2,0,0]=3 123 B11R1.40 O=C(CCl)OC1CCCCC1 PH009865 [0,0,0,0,0,1|2,0,0]=3 124 B11R1.40 O=C(CI)NC1CCCCC1 PH006183 [0,0,0,0,0,1|2,0,0]=3 125 B11R1.40 O=C(NO)NC1CCCCC1 PH008314 [0,0,0,0,0,1|2,0,0]=3 126 B11R1.40 [NH4]SC(=S)NC1CCCCC1 S537039 [0,0,0,0,0,1|1,2,0]=4 127 B11R1.852 O=C(CCl)N1CCCCCC1 PH010548 [0,0,0,0,0,1|3,0,0]=4 128 B8R0.1 C/C=C\C(O)CCCC S364290 [1,0,1,0,0,0|2,0,0]=4 129 B8R0.3 CCCC(O)C(=O)CC PH008572 [1,0,1,0,0,0|2,0,0]=4 130 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [1,0,1,0,0,0|1,0,0]=3 131 B8R0.6 C#CCCCC(=O)OC T287598 [1,0,1,0,0,0|0,0,2]=4 132 B8R0.6 CCC/C=C/C(=O)OC R436038 [1,0,1,0,0,0|0,0,2]=4 133 B8R0.6 CCCCCC(=O)NN S849049 [1,0,1,0,0,0|2,0,0]=4 134 B8R0.6 CCCCCC(=O)SC CDS010601 [1,0,1,0,0,0|0,1,0]=3 135 B8R0.6 CCCCNC(=O)OC S352683 [1,0,1,0,0,0|1,0,0]=3 136 B8R0.6 CCOCCC(=O)OC PH000125 [1,0,1,0,0,0|1,0,0]=3 137 B8R0.6 CCSCCC(=O)OC S365688 [1,0,1,0,0,0|1,0,0]=3 138 B8R0.8 CCC/C=C(\C)/C(=O)O CDS000408 [1,0,1,0,0,0|0,0,2]=4 139 B8R0.8 CCCCC(C)C(=O)Cl PH011486 [1,0,1,0,0,0|1,0,0]=3 140 B8R0.8 CCCCC(C)C(C)O S374199 [1,0,1,0,0,0|0,0,2]=4 141 B8R0.8 CCCCC(N)C(=O)N CDS003890 [1,0,1,0,0,0|2,0,0]=4 142 B8R0.8 CSCCC(O)C(=O)O PH000120 [1,0,1,0,0,0|2,0,0]=4 143 B8R0.8 NCCCC(N)C(=O)O S594881 [1,0,1,0,0,0|2,0,0]=4 144 B8R0.8 [C@H](N)(CSCC)C(=O)O S361615 [1,0,1,0,0,0|2,0,0]=4 145 B8R0.15 CCN(CCO)C(=O)C PH010390 [1,0,1,0,0,0|2,0,0]=4 146 B8R0.20 CCC(CC)C(=O)OC S240257 [1,0,1,0,0,0|0,0,0]=2 147 B8R0.20 CCC(NC)C(=O)OC CBR01434 [1,0,1,0,0,0|1,0,0]=3 148 B8R0.20 [C-]#[N+]C(CC)C(=O)OC PH015976 [1,0,1,0,0,0|1,0,1]=4 149 B8R0.4 C(=C/CCCCCO)\C T264652 [1,0,1,0,0,0|2,0,0]=4 150 B8R0.4 CCCCCCCSC S570729 [1,0,1,0,0,0|0,1,1]=4 151 B8R0.7 CC(=O)NCCCCN CDS021099 [1,0,1,0,0,0|2,0,0]=4 152 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [1,0,1,0,0,0|0,0,2]=4 153 B8R0.7 CCCCCCC(C)C S430935 [1,0,1,0,0,0|1,0,1]=4 154 B8R0.7 CCCCCCC(C)Cl S564516 [1,0,1,0,0,0|1,0,1]=4 155 B8R0.7 CCCCCOC(=O)Cl CDS000346 [1,0,1,0,0,0|2,0,0]=4 156 B8R0.7 CCCCOCC(=O)O CDS008145 [1,0,1,0,0,0|1,0,0]=3 157 B8R0.7 CCCC[Hg]OC(=O)C S814512 [1,0,1,0,0,0|2,0,0]=4 158 B8R0.7 CCCNCCC(=O)O OTV000481 [1,0,1,0,0,0|1,0,0]=3 159 B8R0.7 CCSCCCC(=O)O PH008798 [1,0,1,0,0,0|1,0,0]=3 160 B8R0.7 NC(=O)CCCCCBr CDS003086 [1,0,1,0,0,0|2,0,0]=4 161 B8R0.7 NCCCCCC(=O)N CDS015235 [1,0,1,0,0,0|2,0,0]=4 162 B8R0.7 NCCSCCC(=O)O PH011733 [1,0,1,0,0,0|2,0,0]=4 163 B8R0.7 O=C(O)CCNCCO S888699 [1,0,1,0,0,0|2,0,0]=4 164 B8R0.7 O=C(O)CCOCCO CDS021155 [1,0,1,0,0,0|2,0,0]=4 165 B8R1.2 CNC1CCOCC1 CDS001741 [2,0,0,0,0,0|2,0,0]=4 166 B8R1.2 COC1CC=CCC1 PH007914 [2,0,0,0,0,0|0,0,2]=4 167 B8R1.2 COC1CCCNC1 CDS007978 [2,0,0,0,0,0|1,0,0]=3 168 B8R1.2 NNC1CCCCC1 S859435 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.2 O=CC1CCCCO1 CDS019507 [2,0,0,0,0,0|1,0,0]=3 170 B8R1.2 O=CC1CCNCC1 CDS013816 [2,0,0,0,0,0|1,0,0]=3 171 B8R1.2 O=CC1CCOCC1 CDS020197 [2,0,0,0,0,0|1,0,0]=3 172 B8R1.2 O=CC1CCSCC1 CDS020250 [2,0,0,0,0,0|1,0,0]=3 173 B8R1.2 OCC1CCCOC1 CDS015486 [2,0,0,0,0,0|1,0,1]=4 174 B8R1.2 SCC1CCCCC1 CDS020661 [2,0,0,0,0,0|0,1,1]=4 175 B10R0.83 COC(=O)C(Br)CCCCBr S943185 [0,1,1,0,0,0|1,0,0]=3 176 B10R0.30 C=CCC(C(=O)OC)C(C)C T287210 [0,1,1,0,0,0|0,0,2]=4 177 B10R0.33 CCCC(CN)C(=O)OCC PH015720 [0,1,1,0,0,0|1,0,0]=3 178 B10R0.33 CCOC(=O)C(COC)OC PH007488 [0,1,1,0,0,0|2,0,0]=4 179 B10R0.73 CCCC(N=C=S)C(=O)OC CBR01112 [0,1,1,0,0,0|1,0,1]=4 180 B10R0.1 CCCNCCC(=O)OCC OTV000022 [0,1,1,0,0,0|1,0,0]=3 181 B10R0.55 COC(=O)CNCCN(C)C CDS023468 [0,1,1,0,0,0|2,0,0]=4 182 B10R0.74 CCCCCC#CC(=O)CC S128325 [0,1,1,0,0,0|1,0,1]=4 183 B10R0.74 CCCCCCCC(=O)CC S544043 [0,1,1,0,0,0|1,0,0]=3 184 B10R0.74 CCCCCCCC(=O)NO CDS000528 [0,1,1,0,0,0|2,0,0]=4 185 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [0,1,1,0,0,0|2,0,0]=4 186 B10R0.74 CCCCCCNC(=O)NC S892793 [0,1,1,0,0,0|1,0,0]=3 187 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,1,1,0,0,0|2,0,0]=4 188 B10R0.75 CCCCCCC(=O)C(C)C S350575 [0,1,1,0,0,0|1,0,0]=3 189 B10R1.13 CC(=O)N1CCC(CC1)N CDS010756 [1,1,0,0,0,0|1,0,0]=3 190 B10R1.13 CC1CCC(CC1)C(C)O PH000605 [1,1,0,0,0,0|0,0,2]=4 191 B10R1.13 CN(C)C1CCC(CC1)N CDS010169 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.13 CN1CCC(CC1)C(=O)O PH009778 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.13 NC1CCC(CC1)C(=O)O CDS000161 [1,1,0,0,0,0|0,0,0]=2 194 B10R1.13 O=C(O)C1CCC(CC1)F MNO000187 [1,1,0,0,0,0|0,0,0]=2 195 B10R1.13 [C@@H]1(CC[C@H](CC1)C(=O)O)O ANV00233 [1,1,0,0,0,0|0,0,0]=2 196 B10R1.28 CC(C)(O)C1CCCCC1 T294985 [1,1,0,0,0,0|0,0,2]=4 197 B10R1.28 O=S(=O)(O)C1CCCCC1 PH018131 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [1,1,0,0,0,0|0,0,0]=2 199 B10R1.61 CC(O)C1CCCCC1O S362417 [1,1,0,0,0,0|0,0,2]=4 200 B10R1.61 CC1C=CCCC1C(=O)O PH008388 [1,1,0,0,0,0|0,0,2]=4 201 B10R1.61 CC1CNCCC1C(=O)O CDS008293 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N BBO000407 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O BBO000684 [1,1,0,0,0,0|0,0,2]=4 204 B10R1.61 N[C@H]1CC=CC[C@@H]1C(=O)O BBO000678 [1,1,0,0,0,0|0,0,2]=4 205 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O BBO000677 [1,1,0,0,0,0|0,0,2]=4 206 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [1,1,0,0,0,0|0,0,0]=2 207 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [1,1,0,0,0,0|0,0,1]=3 208 B10R1.61 O=C(O)C1CCCNC1=O CBR01770 [1,1,0,0,0,0|1,0,1]=4 209 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [1,1,0,0,0,0|0,0,0]=2 210 B10R1.113 CC(=O)N1CCCC(C1)N CBR00904 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.113 CC(=O)N1CCCC(C1)O CBR01458 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.113 CN1CCCC(C1)C(=O)N PH013754 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.113 CN1CCCC(C1)C(=O)O CDS003577 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.113 CN1CCCC(C1)C(=O)O CDS015858 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.113 CN1CCNC(C1)C(=O)O CBR02466 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.113 CN1CCOC(C1)C(=O)O CDS009752 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.113 NC(=O)[C@H]1CCC[C@@H](C1)N CDS023691 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.113 NC1CCCC(C1)C(=O)O CDS000338 [1,1,0,0,0,0|0,0,0]=2 219 B10R1.113 O=C(O)C1CNCC(C1)O CDS021813 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.113 O=C1CCCC(N1)C(=O)O CDS003761 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.363 CC(=O)C1(C=CCCC1)C T166812 [1,1,0,0,0,0|0,0,2]=4 222 B10R1.363 CC1(CCCCC1)C(=O)Cl S662380 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.363 CC1(CCCNC1)C(=O)N CBR02426 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.363 CC1(CCCNC1)C(=O)O CBR01687 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.363 CC1(CCCNC1)C(=O)O PHB00204 [1,1,0,0,0,0|1,0,0]=3 226 B10R1.363 CC1(CCNCC1)C(=O)N CBR01691 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.363 CC1(CCNCC1)C(=O)O CBR01543 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.363 C[C@]1(C=CCCC1)C(=O)O T286788 [1,1,0,0,0,0|0,0,2]=4 229 B10R1.363 N=C(N)C1(CCCCC1)O PH016272 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.363 NC(=O)C1(CCCCC1)Cl PH007086 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.363 NC(=O)C1(CCCCC1)N CBR01964 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.363 NC1(CCCCC1)C(=O)O S235024 [1,1,0,0,0,0|0,0,0]=2 233 B10R1.363 O=C(O)C1(CCNCC1)O CBR01688 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.4 CCCC1CCCCC1O S365769 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.17 BrCCCC1CCCCC1 S345016 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.17 CCCNC1CCCCC1 CDS008806 [1,1,0,0,0,0|1,0,1]=4 237 B10R1.17 CCON=C1CCCCC1 S648353 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.17 COCCC1CCCCN1 CBR00752 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.17 ClCCCC1CCCCC1 R426857 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.17 OCCNC1CCCCC1 T308269 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.18 CC(=CN1CCCCC1)C S354880 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.18 CC(C)CC1CCCCC1 S564869 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.18 CN(C)NC1CCCCC1 PH001375 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.11 CCOC(=O)C1=CCCC1 S942871 [0,1,0,0,1,0|0,0,2]=4 247 B10R1.14 CCC(=O)N1CCC(C1)O CDS024255 [0,1,0,0,1,0|2,0,0]=4 248 B10R1.14 COC(=O)C1CCC(=O)C1 SYX00133 [0,1,0,0,1,0|0,0,1]=3 249 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)F OMC00007 [0,1,0,0,1,0|1,0,0]=3 250 B10R1.23 CC(O)C(=O)N1CCCC1 PH010531 [0,1,0,0,1,0|2,0,0]=4 251 B10R1.23 CN(C)C(=O)C1CCCN1 CDS012608 [0,1,0,0,1,0|2,0,0]=4 252 B10R1.149 COC(=O)C1CCOC1=O T260215 [0,1,0,0,1,0|1,0,1]=4 253 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N BBO000403 [0,1,0,0,1,0|0,0,0]=2 254 B10R1.411 COC(=O)C1(CCCC1)N PH010854 [0,1,0,0,1,0|0,0,0]=2 255 B12R1.32 CCCC(=O)NC1CCCCC1 PH009069 [0,1,0,0,0,1|1,0,0]=3 256 B12R1.32 CCNC(=O)NC1CCCCC1 S603562 [0,1,0,0,0,1|1,0,0]=3 257 B12R1.32 CCOC(=O)C=C1CCOCC1 PHB00281 [0,1,0,0,0,1|1,0,1]=4 258 B12R1.32 CCOC(=O)CC1=CCCCC1 S368830 [0,1,0,0,0,1|0,0,2]=4 259 B12R1.32 CCOC(=O)CC1CCCNC1 PH010419 [0,1,0,0,0,1|1,0,0]=3 260 B12R1.32 CCOC(=O)CC1CCCNC1 PHB00138 [0,1,0,0,0,1|1,0,0]=3 261 B12R1.32 CCOC(=O)CC1CCNCC1 CDS003461 [0,1,0,0,0,1|1,0,0]=3 262 B12R1.32 CCOC(=O)CN1CCOCC1 PH011005 [0,1,0,0,0,1|2,0,0]=4 263 B12R1.32 CCOC(=O)NC1CCCCC1 S361593 [0,1,0,0,0,1|0,0,0]=2 264 B12R1.32 N#CCC(=O)NC1CCCCC1 S280666 [0,1,0,0,0,1|1,0,1]=4 265 B12R1.32 N#CCC(=O)OC1CCCCC1 S615110 [0,1,0,0,0,1|1,0,1]=4 266 B12R1.34 CN(C(=O)CCl)C1CCCCC1 PH010565 [0,1,0,0,0,1|2,0,0]=4 267 B12R1.34 COC(=O)C(Br)C1CCCCC1 S378194 [0,1,0,0,0,1|0,0,0]=2 268 B12R1.34 COC(=O)C(N)C1CCSCC1 CDS020916 [0,1,0,0,0,1|1,0,0]=3 269 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 CDS003570 [0,1,0,0,0,1|0,0,0]=2 270 B12R1.43 CC(C)C(=O)OC1CCCCC1 S460842 [0,1,0,0,0,1|1,0,0]=3 271 B12R1.43 CN(C)C(=O)CC1CCNCC1 CBR01450 [0,1,0,0,0,1|2,0,0]=4 272 B12R1.43 CN(C)C(=O)NC1CCCCC1 S604542 [0,1,0,0,0,1|1,0,0]=3 273 B12R1.43 O=C(NC1CCCCC1)C(Cl)Cl PH002077 [0,1,0,0,0,1|2,0,0]=4 274 B12R1.371 CCC(=O)NC1CCCCC1Cl R787426 [0,1,0,0,0,1|1,0,0]=3 275 B12R1.371 COC(=O)N[C@@H]1CC=CC[C@H]1I T175048 [0,1,0,0,0,1|0,0,2]=4 276 B12R1.371 CSC(=O)NC1CCCCC1Cl R788481 [0,1,0,0,0,1|0,1,0]=3 277 B12R1.371 CSC(=O)NC1CCCC[C@@H]1Cl L498491 [0,1,0,0,0,1|0,1,0]=3 278 B12R1.365 COC(=O)C1CCCCOC1=O T260223 [0,1,0,0,0,1|0,0,1]=3 279 B12R1.1564 CCOC(=O)N1CCCCCC1 T168556 [0,1,0,0,0,1|1,0,0]=3 280 B12R1.1564 CCOC(=O)N1CCCNCC1 PH015507 [0,1,0,0,0,1|1,0,0]=3 281 B12R1.253 CC(C)S(=O)(=O)C1CCCCC1 T195219 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.478 CCC(=C1CCCCC1)C(=O)O S405477 [0,2,0,0,0,0|1,0,1]=4 283 B12R1.478 CCN(C(=O)C)C1CCCCC1 PH008729 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.16 CCCC(=O)N1CCC(CC1)N PH019110 [0,2,0,0,0,0|2,0,0]=4 285 B12R1.16 CCOC(=O)C1CCC(CC1)N CDS021786 [0,2,0,0,0,0|0,0,0]=2 286 B12R1.30 O=C(NCCO)C1CCCCC1 R677264 [0,2,0,0,0,0|1,0,0]=3 287 B12R1.107 CC(=O)CC(=O)N1CCCCC1 S350516 [0,2,0,0,0,0|2,0,0]=4 288 B12R1.107 CC(=O)CC(=O)N1CCCCC1 S787876 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.107 CC(C)CC(=O)C1CCCCC1 S876658 [0,2,0,0,0,0|1,0,0]=3 290 B12R1.1595 CCOC(=O)C1(CCCCC1)Br S918504 [0,2,0,0,0,0|0,0,0]=2 291 B12R1.1595 CCOC(=O)C1(CCCCC1)C PH015725 [0,2,0,0,0,0|0,0,0]=2 292 B12R1.1595 CCOC(=O)C1(CCCCC1)N CDS003919 [0,2,0,0,0,0|0,0,0]=2 293 B12R1.1595 CCOC(=O)C1(CCCCC1)O CDS020967 [0,2,0,0,0,0|0,0,0]=2 294 B12R1.1595 CCOC(=O)C1(CCOCC1)N CBR01670 [0,2,0,0,0,0|1,0,0]=3 295 B12R1.1595 CCOC(=O)C1(CCOCC1)O T177628 [0,2,0,0,0,0|1,0,0]=3 296 B12R1.20 CC(C)C(=O)N1CCC(CC1)N CBR00874 [0,2,0,0,0,0|2,0,0]=4 297 B12R1.354 CC1CCC(C(C1)C(=O)CCl)O S792349 [0,2,0,0,0,0|2,0,0]=4 298 B12R1.354 COC(=O)C1CC(CCC1=O)C T296252 [0,2,0,0,0,0|0,0,1]=3 299 B12R1.1707 CCC(=O)C1CCOC(C1)(C)C CBR01382 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.1707 COC(=O)C1CCCS(=O)(=O)N1 PH016377 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.1707 COC(=O)C1CCC[N+](C1)(C)C S353043 [0,2,0,0,0,0|1,0,0]=3 302 B10R1.7 CC1CCCCCCC1=O S53075 [0,0,1,1,0,0|1,0,0]=3 303 B10R1.29 CCCCN1CCCC1=O S434221 [0,0,1,1,0,0|2,0,0]=4 304 B10R1.182 COC(=O)C(N)C1COC1 SYX00444 [0,0,1,1,0,0|2,0,0]=4 305 B10R1.275 CN1CCCC[C@@H](C1=O)N CDS014105 [0,0,1,1,0,0|2,0,0]=4 306 B10R1.2 CCC1NCCN(C1=O)C CDS011887 [0,0,1,1,0,0|2,0,0]=4 307 B10R1.164 [NH+]1=C(C(C1CC)CC)OC T173789 [0,0,1,1,0,0|1,0,0]=3 308 B10R1.27 COC(=O)CC1CCNC1 CBR02412 [0,0,1,1,0,0|1,0,0]=3 309 B10R1.78 O=C1C=CCCCCCC1 L169854 [0,0,1,1,0,0|1,0,1]=4 310 B10R1.162 COC1=NC(CCCC1)C PH007837 [0,0,1,1,0,0|1,0,0]=3 311 B10R2.61 O=C1CC2CCCC1C2 T289124 [1,0,0,1,0,0|0,0,0]=2 312 B10R2.62 O=C1CC2C=CC1CC2 T287628 [1,0,0,1,0,0|0,0,2]=4 313 B10R2.62 O=C1NC2CCC1CC2 PH001109 [1,0,0,1,0,0|1,0,0]=3 314 B10R2.62 O=C1OC2CCC1CC2 PH008267 [1,0,0,1,0,0|0,0,0]=2 315 B10R2.62 OC1CC2CCC1CC2 PH008493 [1,0,0,1,0,0|0,0,2]=4 316 B10R2.62 [C@H]12CC[C@H](NC1)C(=O)O2 PH016451 [1,0,0,1,0,0|1,0,0]=3 317 B10R2.320 O=C1NC2C1CCCC2 T281948 [1,0,0,1,0,0|1,0,0]=3 318 B10R2.351 O=C(O)C1C2C1CC=C2 T188301 [1,0,0,1,0,0|0,0,2]=4 319 B10R2.7 C1CCC2CCCC2C1 S457272 [1,0,0,1,0,0|1,0,1]=4 320 B10R2.7 C1CCC2NCCC2C1 CDS003552 [1,0,0,1,0,0|2,0,0]=4 321 B10R2.7 C1CC[C@@H]2CCC[C@@H]2C1 R289825 [1,0,0,1,0,0|1,0,1]=4 322 B10R2.7 C1CC[C@H]2CCCC2C1 R289841 [1,0,0,1,0,0|1,0,1]=4 323 B10R2.408 C1C[C@@H]2CNC[C@H](C1)C2 PH019131 [1,0,0,1,0,0|1,0,1]=4 324 B10R2.484 C1CNCC2(C1)COC2 CDS021195 [1,0,0,1,0,0|1,0,1]=4 325 B10R2.32 [C@@H]12CCC[C@@H]1C(=O)CC2 T298077 [0,0,0,1,1,0|1,0,0]=3 326 B10R2.178 O=C1C=CC2CCC1C2 T188239 [0,0,0,1,1,0|1,0,1]=4 327 B10R2.178 O=C1NCC2CCC1C2 T298905 [0,0,0,1,1,0|1,0,0]=3 328 B12R2.24 C12CCCCC1NC(=O)CC2 S782548 [0,0,0,1,0,1|1,0,0]=3 329 B12R2.24 O=C1CN2CCCCC2CN1 T162582 [0,0,0,1,0,1|2,0,0]=4 330 B12R2.32 CNC1=NC2CCCCC2O1 S420638 [0,0,0,1,0,1|1,0,1]=4 331 B12R2.32 CSC1=NC2CCCCC2N1 PH013523 [0,0,0,1,0,1|1,1,0]=4 332 B12R2.2918 O=C1CC2(CCNCC2)CN1 CDS023378 [0,0,0,1,0,1|2,0,0]=4 333 B12R2.2918 O=C1CCC2(N1)CCCCC2 PH008917 [0,0,0,1,0,1|1,0,0]=3 334 B12R2.2918 O=C1CCC2(O1)CCCCC2 T223042 [0,0,0,1,0,1|1,0,0]=3 335 B12R2.2918 O=C1CSC2(N1)CCCCC2 PH010365 [0,0,0,1,0,1|2,0,0]=4 336 B12R2.2918 O=C1NCC2(O1)CCNCC2 CDS021614 [0,0,0,1,0,1|2,0,0]=4 337 B12R2.2918 S=C1NCC2(N1)CCCCC2 T149276 [0,0,0,1,0,1|1,1,0]=4 338 B12R2.3511 COC(=O)N1C2C1CC=CC2 T167827 [0,0,0,1,0,1|0,0,2]=4 339 B12R2.1585 COC(=O)C1=CCC2OC2C1 T175218 [0,0,0,1,0,1|0,0,2]=4 340 B12R2.8 O=C1NCCC12CCCNC2 CDS009342 [0,1,0,1,0,0|2,0,0]=4 341 B12R2.186 CCOC1=NC2CCC1CC2 PH001428 [0,1,0,1,0,0|1,0,0]=3 342 B12R2.1314 O=C1NC(=O)C2CCCC1C2 PH009158 [0,1,0,1,0,0|1,0,1]=4 343 B12R2.2028 CC1OC(=O)C2=C1CCCC2 T242934 [0,1,0,1,0,0|0,0,2]=4 344 B12R2.997 CC1C(=O)C2CCC1CC2=O T233226 [0,1,0,1,0,0|1,0,1]=4 345 B12R2.1596 COC(=O)C1CC2CCC1C2 S409324 [0,1,0,1,0,0|0,0,0]=2 346 B12R2.219 [C@@H]12CC=CC[C@@]1(COC2=O)C T200786 [0,1,0,1,0,0|0,0,2]=4 347 B12R2.1540 COC(=O)C12CC1COC2=O PH008518 [0,1,0,1,0,0|1,0,1]=4 348 B8R1.7 CC(C)C1CCCC1 R289671 [1,0,0,0,1,0|1,0,1]=4 349 B8R1.7 NC(=O)C1CCCC1 EME00440 [1,0,0,0,1,0|1,0,0]=3 350 B8R1.7 NC(=O)C1CCCN1 CDS008010 [1,0,0,0,1,0|2,0,0]=4 351 B8R1.7 O=C(O)C1CCNC1 CDS007406 [1,0,0,0,1,0|1,0,0]=3 352 B8R1.7 O=C(O)[C@@H]1CSCN1 PH000111 [1,0,0,0,1,0|2,0,0]=4 353 B8R1.8 CCNC1CCCC1 CBR00868 [1,0,0,0,1,0|2,0,0]=4 354 B8R1.38 COC(=O)C1CCC1 S851957 [0,0,0,0,2,0|0,0,0]=2 355 B8R1.38 COC(=O)C1CNC1 CDS005119 [0,0,0,0,2,0|1,0,0]=3 356 B8R1.38 NNC(=O)C1CCC1 CBR00212 [0,0,0,0,2,0|2,0,0]=4 357 B10R1.348 CN(C)C1CCCNCC1 CBR01719 [1,0,0,0,0,1|2,0,0]=4 358 B10R1.348 CN(C)[C@H]1CCCCNC1 CBR01732 [1,0,0,0,0,1|2,0,0]=4 359 B10R1.348 O=C(O)C1CCC=CCC1 T165824 [1,0,0,0,0,1|0,0,1]=3 360 B10R1.348 O=[N+]([O-])C1CCCCCC1 S919098 [1,0,0,0,0,1|1,0,1]=4 361 B10R1.85 CCNC1CCCCCC1 CBR00395 [1,0,0,0,0,1|2,0,0]=4 362 B10R1.85 COCC1CNCCOC1 PH019382 [1,0,0,0,0,1|1,0,1]=4 363 B12R1.27 COC(=O)CCN1CCCCC1 PH006882 [0,0,0,0,0,2|1,0,0]=3 364 B12R1.27 COC(=O)CNC1CCOCC1 CDS023751 [0,0,0,0,0,2|1,0,0]=3 365 B12R1.27 NNC(=O)COC1CCCCC1 PH018699 [0,0,0,0,0,2|2,0,0]=4 366 B12R1.27 O=C(CCl)NCC1CCCCC1 CBR00098 [0,0,0,0,0,2|2,0,0]=4