0 B8R0.7 CC(=CCCCCBr)C PH009497 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.7 CC(=O)NCCCCN CDS021099 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.7 CC(C)CCCCCN CDS001505 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.7 CC(C)CCNCCO S393983 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [0,0,0,0,0,0|1,0,3]=4 5 B8R0.7 CCCCCCC(C)C S430935 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.7 CCCCCCC(C)Cl S564516 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.7 CCCCCOC(=O)Cl CDS000346 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.7 CCCCOCC(=O)O CDS008145 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.7 CCCCSCC(C)C S570567 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.7 CCCC[Hg]OC(=O)C S814512 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.7 CCCNCCC(=O)O OTV000481 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.7 CCSCCCC(=O)O PH008798 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.7 CN(C)CCCCCN CDS002923 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.7 NC(=O)CCCCCBr CDS003086 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.7 NCCCCCC(=O)N CDS015235 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.7 NCCSCCC(=O)O PH011733 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.7 O=C(O)CCNCCO S888699 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.7 O=C(O)CCOCCO CDS021155 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.1 C/C=C\CCCCO S310700 [1,0,0,0,0,0|0,0,2]=3 20 B7R0.1 C=CCCCCCO S303445 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.1 CCCCCC[Hg]Cl S572519 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.1 CCCCCON=O CDS000385 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.1 CCCCSCCC S367192 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.1 CCCCSCCO S527408 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.1 CCCNCCC#N PH017151 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.1 CCCOCCCN CDS000217 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.1 CCOCCCNN PH019429 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.1 CCSCCSCC S347876 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.1 CNCCCCCO PH007838 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.1 CNCCNCCO S522449 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.1 COCCCCCO PH003271 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.1 COCCOCCN CDS022898 [1,0,0,0,0,0|3,0,0]=4 33 B7R0.1 COCCSCCO PH010752 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.1 N#CCCCCCN PH014777 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.1 N#CCCSCCO S578185 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.1 NCCCNCCO S446831 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.1 NCCNCCCO CDS000635 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.1 OCC#CCCCO T185647 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.1 OCCCNCCO S408409 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.4 CC(C)CNCCO CBR01428 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.4 CC(C)CSCCO PH017930 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.4 CC(C)OCCCO CBR02059 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.4 CC(O)CNCCN S438324 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.4 CC(O)CNCCO S361372 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.4 CC/C=C/CC(C)C R289604 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.4 CCC/C=C/C(C)C R289590 [1,0,0,0,0,0|1,0,2]=4 47 B7R0.4 CCC/C=C/C(C)C S369713 [1,0,0,0,0,0|1,0,2]=4 48 B7R0.4 CCCCCC(=N)N CBR01197 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.4 CCCCCC(C)Cl CDS000285 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.4 CCCCNC(=O)C CDS013581 [1,0,0,0,0,0|1,0,2]=4 51 B7R0.4 CCCCSC(C)C S570605 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.4 CCCNC[C@@H](C)O PH016360 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.4 CCCSCC(C)C S547131 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.4 CCOCCC(=O)O S448745 [1,0,0,0,0,0|2,0,1]=4 55 B7R0.4 CN(C)CCCCN CDS013751 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.4 CNCCCC(=O)O PH006886 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.4 COCCCC(=O)O CDS021485 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.4 COCCCC(C)O S671169 [1,0,0,0,0,0|1,0,0]=2 59 B7R0.4 COCCNC(C)C CDS000174 [1,0,0,0,0,0|3,0,0]=4 60 B7R0.4 CSCCCC(=O)O OTV000795 [1,0,0,0,0,0|2,0,1]=4 61 B9R0.1 CCC(C)CCCC(C)C S765406 [0,1,0,0,0,0|1,0,0]=2 62 B9R0.2 CC(C)CNCCCC#N PH014510 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [0,1,0,0,0,0|1,0,2]=4 64 B9R0.2 CCCCCCCC(C)Br S438758 [0,1,0,0,0,0|1,0,0]=2 65 B9R0.2 CCCNOCCC(=O)C S581321 [0,1,0,0,0,0|1,0,2]=4 66 B9R0.2 COCCCCCC(=O)O CBR00492 [0,1,0,0,0,0|1,0,1]=3 67 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,1,0,0,0,0|0,0,3]=4 68 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,1,0,0,0,0|0,0,3]=4 69 B9R0.4 CCCCC(N)CC(=O)O CBR00513 [0,1,0,0,0,0|1,0,1]=3 70 B9R0.38 CC(C)(C)NCCCCN PH001116 [0,1,0,0,0,0|3,0,0]=4 71 B9R0.38 CC(C)(C)NCCCCO PH010144 [0,1,0,0,0,0|3,0,0]=4 72 B9R0.38 CCCCCCS(=O)(=O)[O-] R426628 [0,1,0,0,0,0|2,0,1]=4 73 B9R0.38 FC(F)(F)CCCCCBr CDS022631 [0,1,0,0,0,0|3,0,0]=4 74 B9R0.46 CCCCCC/C(=N/O)/C S648302 [0,1,0,0,0,0|0,0,1]=2 75 B9R0.46 CCCCCC[C@@H](C)CBr PH007998 [0,1,0,0,0,0|1,0,0]=2 76 B9R0.46 CCCCCNC(=O)CCl S627690 [0,1,0,0,0,0|1,0,2]=4 77 B9R0.46 CCCCOCC(O)CCl R345563 [0,1,0,0,0,0|1,0,0]=2 78 B9R0.46 CCCCOCC(O)CO PH010017 [0,1,0,0,0,0|1,0,0]=2 79 B9R0.46 COC(=O)CCCCCBr S125334 [0,1,0,0,0,0|1,0,2]=4 80 B9R0.47 CCCCCC(=O)C(C)C S357944 [0,1,0,0,0,0|1,0,1]=3 81 B9R0.47 CCCCCC(O)C(C)C S431656 [0,1,0,0,0,0|1,0,0]=2 82 B9R0.48 CCC[C@H](C)CCC(=O)O PH008003 [0,1,0,0,0,0|1,0,1]=3 83 B9R0.48 CCOC(C)OCC(C)C CDS018832 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.2 CC1CCCC(C1)CBr CDS021385 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.2 CCN1CCCC(C1)Cl S443654 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.2 CN1CCCC(C1)CBr CBR01438 [0,0,0,1,0,0|3,0,0]=4 87 B9R1.6 CC(=O)C1CCCCC1 PH000084 [0,0,0,1,0,0|0,0,2]=3 88 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [0,0,0,1,0,0|1,0,2]=4 89 B9R1.6 CC(C)C1CCCCN1 PH003734 [0,0,0,1,0,0|2,0,0]=3 90 B9R1.6 CC(C)C1CCNCC1 CDS000108 [0,0,0,1,0,0|2,0,0]=3 91 B9R1.6 CC(C)C1OCCCO1 S864714 [0,0,0,1,0,0|3,0,0]=4 92 B9R1.6 CC(N)C1=CCCCC1 CBR01205 [0,0,0,1,0,0|1,0,2]=4 93 B9R1.6 CC(O)C1=CCCCC1 PH015453 [0,0,0,1,0,0|0,0,2]=3 94 B9R1.6 CC(O)C1=CCCCO1 T242993 [0,0,0,1,0,0|1,0,2]=4 95 B9R1.6 CC(O)C1C=CCCC1 T181412 [0,0,0,1,0,0|0,0,2]=3 96 B9R1.6 CN(C)C1CCNCC1 CDS003977 [0,0,0,1,0,0|3,0,0]=4 97 B9R1.6 N1CCC(CC1)N(C)C S346675 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [0,0,0,1,0,0|2,0,1]=4 99 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [0,0,0,1,0,0|2,0,1]=4 100 B9R1.7 C/C=C\C1OCC(O1)C S427772 [0,0,0,1,0,0|1,0,2]=4 101 B9R1.7 CCCN1CCC(C1)N CBR01729 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.13 CC(=O)CC1CCCC1 L162353 [0,0,0,1,0,0|0,0,2]=3 103 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [0,0,0,1,0,0|1,0,2]=4 104 B9R1.13 CC(C)CC1CCCN1 CDS005695 [0,0,0,1,0,0|2,0,0]=3 105 B9R1.13 CC(N)CN1CCCC1 CBR01743 [0,0,0,1,0,0|2,0,0]=3 106 B9R1.13 CC(O)CN1CCCC1 S370576 [0,0,0,1,0,0|1,0,0]=2 107 B9R1.13 O=C(Cl)CC1CCCC1 CDS001438 [0,0,0,1,0,0|1,0,2]=4 108 B9R1.13 O=C(O)CC1CCCO1 CDS001898 [0,0,0,1,0,0|2,0,1]=4 109 B9R1.13 O=C(O)CN1CCCC1 ANV00142 [0,0,0,1,0,0|2,0,1]=4 110 B9R1.13 O=C(O)CN1CCCC1 L481092 [0,0,0,1,0,0|2,0,1]=4 111 B9R1.24 C[C@@]1(CCC[C@H]1CO)N BBO000380 [0,0,0,1,0,0|2,0,0]=3 112 B9R1.40 CC1(CCCCC1O)O S352799 [0,0,0,1,0,0|1,0,0]=2 113 B9R1.40 CC1(CNCCC1O)C PHB00253 [0,0,0,1,0,0|3,0,0]=4 114 B9R1.40 CC1CCCCC1(F)F MNO000101 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.40 OC1(CCOCC1F)O PHB00290 [0,0,0,1,0,0|3,0,0]=4 116 B9R1.41 CC(C)C1CCCC1=O CDS023294 [0,0,0,1,0,0|2,0,1]=4 117 B9R1.48 CC1CN(CCCN1)C CBR00656 [0,0,0,1,0,0|3,0,0]=4 118 B9R1.48 CC1CN(CCCN1)C PH019496 [0,0,0,1,0,0|3,0,0]=4 119 B9R1.50 BrC1CCCCCCC1 PH011377 [0,0,0,1,0,0|1,0,0]=2 120 B9R1.50 OC1CC=CCCOC1 T168807 [0,0,0,1,0,0|1,0,2]=4 121 B9R1.50 OC1CCCCCOC1 T168815 [0,0,0,1,0,0|1,0,0]=2 122 B9R1.148 CC1(CCCCCC1)O S411949 [0,0,0,1,0,0|0,0,0]=1 123 B6R0.6 CCCCCSC S357952 [2,0,0,0,0,0|1,0,0]=3 124 B6R0.6 CCCNCCC R580155 [2,0,0,0,0,0|1,0,0]=3 125 B6R0.6 CCCSCCO S408859 [2,0,0,0,0,0|1,0,0]=3 126 B6R0.6 CCSCCCO PH017932 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.6 FCCCCCBr CBR02103 [2,0,0,0,0,0|2,0,0]=4 128 B6R0.6 NCCSCCO S449539 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.4 CCCSC(C)C S570702 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.4 CSCCC(C)C S351520 [2,0,0,0,0,0|2,0,0]=4 131 B8R0.1 C/C=C\C(O)CCCC S364290 [1,1,0,0,0,0|0,0,2]=4 132 B8R0.1 CCCC(O)CCCO S838322 [1,1,0,0,0,0|0,0,0]=2 133 B8R0.1 CCCCC(=O)CCC S456489 [1,1,0,0,0,0|0,0,1]=3 134 B8R0.1 CCCCN(C)CCN PH014575 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.1 CCCCN(C)CCO PH017931 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.4 C#CCCCCCCO SYX00205 [1,1,0,0,0,0|0,0,1]=3 137 B8R0.4 C(=C/CCCCCO)\C T264652 [1,1,0,0,0,0|0,0,1]=3 138 B8R0.4 C(=C/CCCO)\CCI T166286 [1,1,0,0,0,0|0,0,2]=4 139 B8R0.4 C(=C\CCCO)\CCI T166227 [1,1,0,0,0,0|0,0,2]=4 140 B8R0.4 CC#CCCCCCO T264709 [1,1,0,0,0,0|0,0,1]=3 141 B8R0.4 CCCCCCCSC S570729 [1,1,0,0,0,0|0,0,0]=2 142 B8R0.4 CCCCCCC[Hg]Cl S572500 [1,1,0,0,0,0|1,0,0]=3 143 B8R0.4 CCCCCSCCO S357928 [1,1,0,0,0,0|0,0,0]=2 144 B8R0.4 CCCCNCCC#N S399493 [1,1,0,0,0,0|1,0,1]=4 145 B8R0.4 CCCCNCCCC S367869 [1,1,0,0,0,0|0,0,0]=2 146 B8R0.4 CCCCNCCCC S503894 [1,1,0,0,0,0|0,0,0]=2 147 B8R0.4 CCCCNCCCC S566152 [1,1,0,0,0,0|0,0,0]=2 148 B8R0.4 CCCSSSCCC CDS017270 [1,1,0,0,0,0|2,0,0]=4 149 B8R0.4 CCNCCCCCO PH007898 [1,1,0,0,0,0|0,0,0]=2 150 B8R0.4 COCCCNCCO OTV000453 [1,1,0,0,0,0|1,0,0]=3 151 B8R0.4 CSCCCCCCO S931667 [1,1,0,0,0,0|0,0,0]=2 152 B8R0.4 CSCCCCCSC S375896 [1,1,0,0,0,0|1,0,0]=3 153 B8R0.4 NCCCOCCCN PH000107 [1,1,0,0,0,0|2,0,0]=4 154 B8R0.4 OCCCNCCCO PH010217 [1,1,0,0,0,0|1,0,0]=3 155 B8R0.4 [NH2+](CCCC)CCCC S348880 [1,1,0,0,0,0|0,0,0]=2 156 B8R0.6 CCC(C)CNCCO S393967 [1,1,0,0,0,0|1,0,0]=3 157 B8R0.6 CCCCCC(=O)SC CDS010601 [1,1,0,0,0,0|1,0,1]=4 158 B8R0.6 CCCCSC(C)CC S570613 [1,1,0,0,0,0|1,0,0]=3 159 B8R0.6 CCOCCC(O)CC S347981 [1,1,0,0,0,0|1,0,0]=3 160 B8R0.5 C(=C/[C@H](O)C[C@H](C)O)\C T262730 [1,1,0,0,0,0|0,0,2]=4 161 B8R0.5 CCCC(N)CC(=O)O BBO000362 [1,1,0,0,0,0|1,0,1]=4 162 B8R0.8 CCCCC(C)C(C)O S374199 [1,1,0,0,0,0|0,0,0]=2 163 B8R0.9 CCC(O)CCC(C)C CDS000278 [1,1,0,0,0,0|1,0,0]=3 164 B8R0.21 CCCCCC(C)(C)O S431567 [1,1,0,0,0,0|0,0,0]=2 165 B8R0.21 CCCCCS(=O)(=O)O PH018433 [1,1,0,0,0,0|2,0,0]=4 166 B8R0.21 CCCCC[Si](C)(Cl)Cl S584622 [1,1,0,0,0,0|1,1,0]=4 167 B8R0.21 CCCCSC(C)(C)C S570575 [1,1,0,0,0,0|2,0,0]=4 168 B8R0.28 CC(=CCC[C@H](C)O)C T296155 [1,1,0,0,0,0|0,0,2]=4 169 B8R0.28 CC(=O)CCCC(C)C CDS000306 [1,1,0,0,0,0|0,0,2]=4 170 B8R0.28 CC(C)CCCC(=O)O CDS003381 [1,1,0,0,0,0|1,0,1]=4 171 B8R0.28 CC(C)CNCC(C)C S835676 [1,1,0,0,0,0|2,0,0]=4 172 B8R0.28 CC(C)COCC(C)O CDS018532 [1,1,0,0,0,0|1,0,0]=3 173 B8R0.28 CC(O)COCC(C)O PH011069 [1,1,0,0,0,0|1,0,0]=3 174 B8R0.28 [C@H](C)(O)CCC=C(C)C T232645 [1,1,0,0,0,0|0,0,2]=4 175 B10R0.3 CC(C)CCCC(C)CC=O CDS014268 [0,2,0,0,0,0|1,0,1]=4 176 B10R0.44 CC[C@@H](C)C[C@H](N)CC(=O)O PH001846 [0,2,0,0,0,0|1,0,1]=4 177 B10R0.59 BrCC(Br)CCCC(Br)CBr S556408 [0,2,0,0,0,0|2,0,0]=4 178 B10R0.77 CCN(CC)CCCC(C)O R750255 [0,2,0,0,0,0|1,0,0]=3 179 B10R0.98 CC(C)CCOC(=O)C(C)O PH011490 [0,2,0,0,0,0|1,0,1]=4 180 B10R0.4 C=COCCCCCC(C)C S399728 [0,2,0,0,0,0|1,0,1]=4 181 B10R0.4 CC(=CCCCCCCBr)C S793051 [0,2,0,0,0,0|1,0,1]=4 182 B10R0.4 CC(C)CCCCCCCO PH008704 [0,2,0,0,0,0|1,0,0]=3 183 B10R0.4 CC(O)COCCOCCO S346039 [0,2,0,0,0,0|1,0,0]=3 184 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [0,2,0,0,0,0|1,0,1]=4 185 B10R0.4 CCCCCCC#CC(=O)O S354023 [0,2,0,0,0,0|1,0,1]=4 186 B10R0.4 CCCCCCCCC(C)N T151068 [0,2,0,0,0,0|1,0,0]=3 187 B10R0.4 CCCCCCCNC(=O)C R704377 [0,2,0,0,0,0|0,0,2]=4 188 B10R0.6 CCCCCC(C)NC(C)C PH013772 [0,2,0,0,0,0|1,0,0]=3 189 B10R0.6 CCCCCC(O)CC(C)C S417432 [0,2,0,0,0,0|1,0,0]=3 190 B10R0.22 CC(C)(C)NCCCCCO PH013046 [0,2,0,0,0,0|2,0,0]=4 191 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [0,2,0,0,0,0|0,0,1]=3 192 B10R0.74 CCCCCCCC(=O)CC S544043 [0,2,0,0,0,0|0,0,2]=4 193 B10R0.74 CCCCCCCC(=O)NO CDS000528 [0,2,0,0,0,0|1,0,1]=4 194 B10R0.74 CCCCCCCC(O)CC CDS001495 [0,2,0,0,0,0|0,0,0]=2 195 B10R0.74 CCCCCCNC(=O)NC S892793 [0,2,0,0,0,0|0,0,2]=4 196 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,2,0,0,0,0|0,0,2]=4 197 B10R0.75 CCCCCCC(=O)C(C)C S350575 [0,2,0,0,0,0|1,0,0]=3 198 B10R0.75 CCCCCCC(C)N(C)C S336998 [0,2,0,0,0,0|1,0,0]=3 199 B10R0.75 CCCCCCC(O)C(C)C S417424 [0,2,0,0,0,0|0,0,0]=2 200 B10R0.75 NCCCCCC(N)C(=O)O PH008399 [0,2,0,0,0,0|1,0,1]=4 201 B10R0.78 C=C(C)CCC(O)COCC S312150 [0,2,0,0,0,0|1,0,1]=4 202 B10R0.97 CC(C)CCNCCC(C)C PH012262 [0,2,0,0,0,0|1,0,0]=3 203 B10R0.97 CC(C)CCNCCC(C)C PH015267 [0,2,0,0,0,0|1,0,0]=3 204 B10R0.97 CC(C)CCSCCC(C)C S570478 [0,2,0,0,0,0|1,0,0]=3 205 B10R0.5 CCCCCC(O)C(C)(C)C S412015 [0,2,0,0,0,0|1,0,0]=3 206 B10R0.1 CCCCCC[C@@H](C)N=C=O CDS001056 [0,2,0,0,0,0|0,0,1]=3 207 B10R0.83 CCCCCC(O)C(C)CC S417440 [0,2,0,0,0,0|1,0,0]=3 208 B10R0.108 CCCC(=O)OCC(O)CO CDS003526 [0,2,0,0,0,0|1,0,1]=4 209 B8R1.2 BrCC1CCOCC1 CDS013754 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.2 CCC1CNCCN1 CBR00969 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.2 CCC1CNCCO1 CDS009046 [1,0,0,1,0,0|1,0,0]=3 212 B8R1.2 CCC1NCCCS1 T149683 [1,0,0,1,0,0|1,1,0]=4 213 B8R1.2 CNC1CCOCC1 CDS001741 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.2 COC1CCCNC1 CDS007978 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.2 ClCC1OCCCO1 S866008 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.2 NCC1CCCCO1 CDS006458 [1,0,0,1,0,0|1,0,0]=3 217 B8R1.2 NCC1CCCCO1 CDS006719 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.2 NCC1CCCNC1 CDS013586 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.2 NCC1CCOCC1 CDS003651 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.2 NNC1CCCCC1 S859435 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.2 O=CC1CCCCO1 CDS019507 [1,0,0,1,0,0|1,0,1]=4 222 B8R1.2 OCC1CCCOC1 CDS015486 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.2 SCC1CCCCC1 CDS020661 [1,0,0,1,0,0|0,1,0]=3 224 B8R1.2 SCN1CCCCC1 S302953 [1,0,0,1,0,0|1,1,0]=4 225 B8R1.5 CC1CC=CCC1C T152838 [1,0,0,1,0,0|0,0,2]=4 226 B8R1.5 FC1CCCCC1Br CDS002897 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [1,0,0,1,0,0|1,0,0]=3 228 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [1,0,0,1,0,0|1,0,0]=3 229 B8R1.5 N[C@H]1CCCC[C@H]1N R750832 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.5 OC1CCCCC1Br PH007482 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.5 O[C@@H]1CNCC[C@H]1F OMC00066 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.8 CCCC1=NCCO1 S396397 [1,0,0,1,0,0|1,0,1]=4 233 B8R1.8 CCCC1C=CCC1 R289795 [1,0,0,1,0,0|0,0,2]=4 234 B8R1.8 CCCC1OCCO1 S364665 [1,0,0,1,0,0|1,0,0]=3 235 B8R1.8 CCNC1CCCC1 CBR00868 [1,0,0,1,0,0|1,0,0]=3 236 B8R1.8 CCOC1CCNC1 CDS023169 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.8 CNCC1CCOC1 CBR01975 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.8 ClCCN1CCCC1 CDS008148 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.8 NCCC1CCCC1 CDS008185 [1,0,0,1,0,0|1,0,0]=3 240 B8R1.8 NCCC1CCCC1 T175072 [1,0,0,1,0,0|1,0,0]=3 241 B8R1.8 OCCN1CCOC1 PH015317 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.8 [C-]#[N+]CC1CCCO1 PH015408 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.11 C#C[C@H]1CCC[C@@H]1O R238252 [1,0,0,1,0,0|0,0,2]=4 244 B8R1.11 CN1CCCC1CCl CBR02411 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.11 CN1CCCC1CN CBR00699 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.11 CN1CCCC1CO CDS011078 [1,0,0,1,0,0|1,0,0]=3 247 B8R1.11 CN[C@H]1COC[C@@H]1O CBR00924 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.11 CO[C@H]1CNC[C@@H]1O CBR02395 [1,0,0,1,0,0|2,0,0]=4 249 B8R1.11 CO[C@H]1CNC[C@@H]1O PHB00243 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.11 NN[C@@H]1CCC[C@H]1O CBR01625 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.11 N[C@H]1CCC[C@H]1CO BBO000401 [1,0,0,1,0,0|1,0,0]=3 252 B8R1.12 OCC1CCC1CO T182095 [1,0,0,1,0,0|1,0,0]=3 253 B8R1.12 [C@@H]1(CC[C@H]1CO)CO T181404 [1,0,0,1,0,0|1,0,0]=3 254 B8R1.22 CC1CCCCCO1 T168866 [1,0,0,1,0,0|0,0,0]=2 255 B8R1.22 OC1CCCCCO1 S866032 [1,0,0,1,0,0|1,0,0]=3 256 B8R1.36 CNCCNC1CC1 CDS009110 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.49 C1=CCOCCCC1 T177512 [1,0,0,1,0,0|0,0,2]=4 258 B8R1.1 CCC1CCC(C1)C R289752 [1,0,0,1,0,0|1,0,0]=3 259 B8R1.1 CCN1CCC(C1)N CBR01844 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.4 CC1CC(CCN1)O CDS008819 [1,0,0,1,0,0|1,0,0]=3 261 B8R1.4 CC1CCCC(C1)N CDS007614 [1,0,0,1,0,0|1,0,0]=3 262 B8R1.4 CC1CCCC(C1)S CDS023316 [1,0,0,1,0,0|0,1,0]=3 263 B8R1.4 CC1CCOC(O1)C S346918 [1,0,0,1,0,0|1,0,0]=3 264 B8R1.4 CC1COCC(N1)C CDS019404 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.4 CC1CSCC(O1)C S347396 [1,0,0,1,0,0|1,0,0]=3 266 B8R1.4 CN1CCCC(C1)N CDS007772 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.4 N1C(CCCC1C)C S379425 [1,0,0,1,0,0|1,0,0]=3 268 B8R1.4 N1C(CCCC1C)C S379727 [1,0,0,1,0,0|1,0,0]=3 269 B8R1.7 CC(C)C1CCCC1 R289671 [1,0,0,1,0,0|1,0,0]=3 270 B8R1.35 CC(C)NCC1CC1 CBR01259 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.72 CC1(CC=CCC1)O T180912 [1,0,0,1,0,0|0,0,2]=4 272 B8R1.72 CC1(CCCCN1)C PH019129 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.72 CC1(CCNCC1)C CDS012487 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.72 CC1(CCNCC1)F OMC00032 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.72 C[N+]1(CCCCC1)C S347310 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.72 C[Si]1(CCCCC1)C S584983 [1,0,0,1,0,0|1,1,0]=4 277 B10R1.13 CC(C)N1CCC(CC1)N CDS007349 [0,1,0,1,0,0|2,0,0]=4 278 B10R1.13 CC(C)N1CCC(CC1)N L480754 [0,1,0,1,0,0|2,0,0]=4 279 B10R1.13 CC1CCC(CC1)C(C)O PH000605 [0,1,0,1,0,0|0,0,0]=2 280 B10R1.13 CN(C)C1CCC(CC1)N CDS010169 [0,1,0,1,0,0|2,0,0]=4 281 B10R1.13 NC1CCC(CC1)C(=O)O CDS000161 [0,1,0,1,0,0|1,0,1]=4 282 B10R1.13 O=C(O)C1CCC(CC1)F MNO000187 [0,1,0,1,0,0|1,0,1]=4 283 B10R1.13 [C@@H]1(CC[C@H](CC1)C(=O)O)O ANV00233 [0,1,0,1,0,0|1,0,1]=4 284 B10R1.14 CCC(=O)N1CCC(C1)O CDS024255 [0,1,0,1,0,0|1,0,1]=4 285 B10R1.485 CC1CCCC(O1)(C)CO PH018430 [0,1,0,1,0,0|1,0,0]=3 286 B10R1.485 CC1CCOC(O1)(C)CO S697842 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [0,1,0,1,0,0|1,0,1]=4 288 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [0,1,0,1,0,0|0,0,2]=4 289 B10R1.18 CC(=O)CN1CCCCC1 R433675 [0,1,0,1,0,0|0,0,2]=4 290 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [0,1,0,1,0,0|0,0,2]=4 291 B10R1.18 CC(C)CC1CCCCC1 S564869 [0,1,0,1,0,0|1,0,0]=3 292 B10R1.18 CC(C)CC1COCCN1 CBR00867 [0,1,0,1,0,0|2,0,0]=4 293 B10R1.18 CC(C)CN1CCOCC1 S518409 [0,1,0,1,0,0|2,0,0]=4 294 B10R1.18 CC(C)OC1CCCCO1 T332879 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.18 CC(N)CN1CCOCC1 CBR00001 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.18 CC(O)CN1CCCCC1 S418854 [0,1,0,1,0,0|0,0,0]=2 297 B10R1.18 CC(O)CN1CCOCC1 S362727 [0,1,0,1,0,0|1,0,0]=3 298 B10R1.18 CN(C)NC1CCCCC1 PH001375 [0,1,0,1,0,0|2,0,0]=4 299 B10R1.18 O=C(O)CC1CCCCN1 R409952 [0,1,0,1,0,0|1,0,1]=4 300 B10R1.18 O=C(O)CC1CCCNC1 PH010234 [0,1,0,1,0,0|1,0,1]=4 301 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [0,1,0,1,0,0|1,0,1]=4 302 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [0,1,0,1,0,0|1,0,1]=4 303 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [0,1,0,1,0,0|1,0,1]=4 304 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [0,1,0,1,0,0|1,0,1]=4 305 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [0,1,0,1,0,0|1,0,1]=4 306 B10R1.18 O=C(O)CN1CCCCC1 L481130 [0,1,0,1,0,0|1,0,1]=4 307 B10R1.18 OB(O)CC1CCCCC1 CDS004056 [0,1,0,1,0,0|2,0,0]=4 308 B10R1.38 CCN1CCNCC1(C)C CBR00670 [0,1,0,1,0,0|2,0,0]=4 309 B10R1.38 COC1CCNCC1(C)C PHB00129 [0,1,0,1,0,0|2,0,0]=4 310 B10R1.38 C[C@@]1(CCCC[C@H]1CN)O BBO000381 [0,1,0,1,0,0|0,0,0]=2 311 B10R1.39 CCN1CCC[C@H]1C(=O)O CBR01772 [0,1,0,1,0,0|1,0,1]=4 312 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [0,1,0,1,0,0|0,0,2]=4 313 B10R1.61 CC(C)N1CCNCC1C CBR01099 [0,1,0,1,0,0|2,0,0]=4 314 B10R1.61 CC(O)C1CCCCC1O S362417 [0,1,0,1,0,0|0,0,0]=2 315 B10R1.61 CC1=CCCCC1C(C)O T180114 [0,1,0,1,0,0|0,0,1]=3 316 B10R1.61 CC1CNCCC1C(=O)O CDS008293 [0,1,0,1,0,0|1,0,1]=4 317 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [0,1,0,1,0,0|1,0,1]=4 318 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [0,1,0,1,0,0|1,0,1]=4 319 B10R1.64 CC(C)C[C@H]1CCC[C@H]1N PH018575 [0,1,0,1,0,0|1,0,0]=3 320 B10R1.64 CN1CCCC1CC(=O)O PH018759 [0,1,0,1,0,0|1,0,1]=4 321 B10R1.64 CN1CCC[C@H]1CC(=O)O PH018830 [0,1,0,1,0,0|1,0,1]=4 322 B10R1.66 O=C(O)CCN1CCCC1 CDS002325 [0,1,0,1,0,0|1,0,1]=4 323 B10R1.78 CC1CCCCCCCC1 T187364 [0,1,0,1,0,0|1,0,0]=3 324 B10R1.133 CC1(CCCN1CCCl)C PH019547 [0,1,0,1,0,0|2,0,0]=4 325 B10R1.162 CN1CCNCC(C1)CO PH019191 [0,1,0,1,0,0|2,0,0]=4 326 B10R1.162 COC1=NC(CCCC1)C PH007837 [0,1,0,1,0,0|1,0,1]=4 327 B10R1.348 CN(C)C1CCCNCC1 CBR01719 [0,1,0,1,0,0|2,0,0]=4 328 B10R1.348 CN(C)[C@H]1CCCCNC1 CBR01732 [0,1,0,1,0,0|2,0,0]=4 329 B10R1.28 CC(C)(C)C1CCNCC1 CDS017491 [0,1,0,1,0,0|2,0,0]=4 330 B10R1.28 CC(C)(O)C1CCCCC1 T294985 [0,1,0,1,0,0|0,0,0]=2 331 B10R1.28 CC(C)(O)C1CCCNC1 CBR00013 [0,1,0,1,0,0|1,0,0]=3 332 B10R1.28 O=S(=O)(O)C1CCCCC1 PH018131 [0,1,0,1,0,0|2,0,0]=4 333 B10R1.281 CC(C)(N)CN1CCCC1 CDS009596 [0,1,0,1,0,0|2,0,0]=4 334 B10R1.1 CCCN1CCC(CC1)C S647748 [0,1,0,1,0,0|2,0,0]=4 335 B10R1.1 CCCN1CCC(CC1)N CDS003686 [0,1,0,1,0,0|2,0,0]=4 336 B10R1.1 CCCN1CCC(CC1)O CDS023463 [0,1,0,1,0,0|1,0,0]=3 337 B10R1.1 NCCN1CCC(CC1)O CDS002685 [0,1,0,1,0,0|2,0,0]=4 338 B10R1.7 BrC1CCCCCCC1Br S39072 [0,1,0,1,0,0|1,0,0]=3 339 B10R1.7 BrC1CCCCCCC1Br S509000 [0,1,0,1,0,0|1,0,0]=3 340 B10R1.7 C=C1CCCCCCC1O T181676 [0,1,0,1,0,0|0,0,1]=3 341 B10R1.7 C=C1CCCCCCC1O T232742 [0,1,0,1,0,0|0,0,1]=3 342 B10R1.7 CC1CCCCCCC1=O S53075 [0,1,0,1,0,0|0,0,1]=3 343 B10R1.7 O[C@H]1C=CCCCC[C@@H]1O T287253 [0,1,0,1,0,0|0,0,2]=4 344 B10R1.15 CC(C=O)C1CCCCC1 PH015130 [0,1,0,1,0,0|0,0,1]=3 345 B10R1.15 CC(CN)N1CCCCC1 CDS009813 [0,1,0,1,0,0|2,0,0]=4 346 B10R1.15 CC(CO)C1CCCCC1 PH015232 [0,1,0,1,0,0|0,0,0]=2 347 B10R1.15 CCC(O)C1CCCCC1 PH000035 [0,1,0,1,0,0|0,0,0]=2 348 B10R1.15 CCC(O)C1CCNCC1 CBR00138 [0,1,0,1,0,0|1,0,0]=3 349 B10R1.15 CNC(C)C1CCCCC1 PH013058 [0,1,0,1,0,0|1,0,0]=3 350 B10R1.27 OCC(O)CN1CCCC1 R260398 [0,1,0,1,0,0|1,0,0]=3 351 B10R1.172 C(=O)C1CCCN(C1)CC CBR00859 [0,1,0,1,0,0|1,0,1]=4 352 B10R1.172 CCC1CCCC(N1)CC PH013114 [0,1,0,1,0,0|1,0,0]=3 353 B10R1.172 CCN1CCCC(C1)CN PH009880 [0,1,0,1,0,0|2,0,0]=4 354 B10R1.172 OCC1CCCC(C1)CO S460303 [0,1,0,1,0,0|1,0,0]=3 355 B10R1.230 C#C[C@]1(CCCC[C@H]1C)O PH016335 [0,1,0,1,0,0|0,0,1]=3 356 B10R1.230 CC1(CCCCC1=O)CO T183903 [0,1,0,1,0,0|1,0,1]=4 357 B10R1.23 CC(O)C(=O)N1CCCC1 PH010531 [0,1,0,1,0,0|1,0,1]=4 358 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 PH016094 [0,1,0,1,0,0|1,0,1]=4 359 B10R1.23 N[C@H](C(=O)O)C1CCCC1 PH009812 [0,1,0,1,0,0|1,0,1]=4 360 B10R1.113 CC(=O)N1CCCC(C1)O CBR01458 [0,1,0,1,0,0|1,0,1]=4 361 B10R1.113 CC(C)C1CCCC(=O)C1 S883786 [0,1,0,1,0,0|0,0,2]=4 362 B10R1.113 NC1CCCC(C1)C(=O)O CDS000338 [0,1,0,1,0,0|1,0,1]=4 363 B10R1.131 CCCC1OC(=O)C(O1)C S397873 [0,1,0,1,0,0|1,0,1]=4 364 B10R1.186 CC#CCCC(O)C1CO1 T264644 [0,1,0,1,0,0|0,0,2]=4 365 B10R1.186 CC#CCC[C@H](O)C1CO1 T290076 [0,1,0,1,0,0|0,0,2]=4 366 B10R1.363 NC1(CCCCC1)C(=O)O S235024 [0,1,0,1,0,0|1,0,1]=4 367 B10R1.363 OC1(CCCCC1)C(Br)Br PH006099 [0,1,0,1,0,0|2,0,0]=4 368 B10R1.138 CCOC(C)OCC1CO1 SYX00275 [0,1,0,1,0,0|2,0,0]=4 369 B10R2.61 O=C1CC2CCCC1C2 T289124 [0,0,0,2,0,0|0,0,2]=4 370 B10R2.62 O=C1OC2CCC1CC2 PH008267 [0,0,0,2,0,0|1,0,1]=4 371 B10R2.62 OC1CC2CCC1CC2 PH008493 [0,0,0,2,0,0|0,0,0]=2 372 B10R2.71 C1(CC2CCC(C1)O2)O T184810 [0,0,0,2,0,0|1,0,0]=3 373 B10R2.71 O[C@H]1C[C@H]2CO[C@@H](C1)O2 T233072 [0,0,0,2,0,0|2,0,0]=4 374 B10R2.99 CCC1CC2CCC1C2 R289833 [0,0,0,2,0,0|1,0,0]=3 375 B10R2.408 C1C[C@@H]2CNC[C@H](C1)C2 PH019131 [0,0,0,2,0,0|2,0,0]=4 376 B10R2.6 C1CCC(OC1)C2CC2 T166251 [0,0,0,2,0,0|2,0,0]=4 377 B10R2.196 [C@H]12CCCC[C@H]1C2(Cl)Cl T278831 [0,0,0,2,0,0|2,0,0]=4 378 B10R2.32 [C@@H]12CCC[C@@H]1C(=O)CC2 T298077 [0,0,0,2,0,0|0,0,2]=4 379 B10R2.32 [C@@H]12CCC[C@@H]1[C@@H](CC2)O T262935 [0,0,0,2,0,0|0,0,0]=2 380 B10R2.32 [C@H]12CCC[C@H]1[C@H](CC2)O T292788 [0,0,0,2,0,0|0,0,0]=2 381 B10R2.174 [C@@H]1(CC[C@H]2[C@@H]1C(=C2)C)O T184446 [0,0,0,2,0,0|0,0,2]=4 382 B10R2.174 [C@H]1(CC[C@H]2[C@@H]1C(=C2)C)O T184187 [0,0,0,2,0,0|0,0,2]=4 383 B10R2.18 C1=CC2OC2CCCC1 T172715 [0,0,0,2,0,0|0,0,2]=4 384 B10R2.18 [C@@H]12C=CCCCC[C@@H]1C2 T180009 [0,0,0,2,0,0|1,0,1]=4 385 B10R2.270 [C@H]12CCOCC[C@H]1[C@@H]2Br T177504 [0,0,0,2,0,0|2,0,0]=4 386 B10R2.245 C[N+]1(CCC2C1CC2)C T168246 [0,0,0,2,0,0|2,0,0]=4 387 B10R2.189 CC1(CCCC2C1C2)O T180122 [0,0,0,2,0,0|0,0,0]=2 388 B10R2.189 C[C@@]1(CCCC2C1C2)O T180017 [0,0,0,2,0,0|0,0,0]=2 389 B10R2.189 ClC1(CCCC2C1C2)Cl S360279 [0,0,0,2,0,0|2,0,0]=4 390 B10R2.37 [C@@H]12CCC(=O)CC[C@@H]1C2 T181390 [0,0,0,2,0,0|0,0,2]=4 391 B10R2.244 OC1CCOCC2C1C2 T177660 [0,0,0,2,0,0|1,0,0]=3 392 B10R2.475 C1=CCCC2(CC1)CO2 T272191 [0,0,0,2,0,0|0,0,2]=4