0 B10R0.71 C#CCCCCCCCCO D154352 [0,0,0,0,0,0|1,1,1]=3 1 B10R0.71 C(CCCCBr)CCCCBr D122540 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.71 C(CCCCCl)CCCCCl D404188 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.71 C(CCCCN)CCCCN D185781 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.71 C(CCCCO)CCCCBr B124493 [0,0,0,0,0,0|1,1,0]=2 5 B10R0.71 C(CCCCO)CCCCCl C589319 [0,0,0,0,0,0|1,1,0]=2 6 B10R0.71 C(CCCCO)CCCCO N133834 [0,0,0,0,0,0|0,2,0]=2 7 B10R0.71 C(CCCCS)CCCCS N102333 [0,0,0,0,0,0|0,0,0]=0 8 B10R0.71 C(CCCl)COCCCCCl B152803 [0,0,0,0,0,0|3,0,0]=3 9 B10R0.71 C(CNCCN)CNCCN B124209 [0,0,0,0,0,0|4,0,0]=4 10 B10R0.71 C(COCCO)COCCO D465329 [0,0,0,0,0,0|2,2,0]=4 11 B10R0.71 C=CCCCCCCCC=C U162901 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.71 C=CCCCCCCCCBr B133959 [0,0,0,0,0,0|2,0,1]=3 13 B10R0.71 C=CCCCCCCCCO D155265 [0,0,0,0,0,0|1,1,1]=3 14 B10R0.71 CCCCC=CCCCCO T161773 [0,0,0,0,0,0|1,1,2]=4 15 B10R0.71 CCCCCC=CCCCO C153573 [0,0,0,0,0,0|1,1,2]=4 16 B10R0.71 CCCCCCCC#CCO D155777 [0,0,0,0,0,0|1,1,2]=4 17 B10R0.71 CCCCCCCCCC#N D154472 [0,0,0,0,0,0|2,0,1]=3 18 B10R0.71 CCCCCCCCCC=C U162898 [0,0,0,0,0,0|2,0,1]=3 19 B10R0.71 CCCCCCCCCC=C U162902 [0,0,0,0,0,0|2,0,1]=3 20 B10R0.71 CCCCCCCCCC=C U162903 [0,0,0,0,0,0|2,0,1]=3 21 B10R0.71 CCCCCCCCCC=O D105551 [0,0,0,0,0,0|1,1,1]=3 22 B10R0.71 CCCCCCCCCCBr B105788 [0,0,0,0,0,0|2,0,0]=2 23 B10R0.71 CCCCCCCCCCC N431487 [0,0,0,0,0,0|2,0,0]=2 24 B10R0.71 CCCCCCCCCCC U108239 [0,0,0,0,0,0|2,0,0]=2 25 B10R0.71 CCCCCCCCCCC U108240 [0,0,0,0,0,0|2,0,0]=2 26 B10R0.71 CCCCCCCCCCC U108241 [0,0,0,0,0,0|2,0,0]=2 27 B10R0.71 CCCCCCCCCCC U110889 [0,0,0,0,0,0|2,0,0]=2 28 B10R0.71 CCCCCCCCCCCl C104797 [0,0,0,0,0,0|2,0,0]=2 29 B10R0.71 CCCCCCCCCCI I157555 [0,0,0,0,0,0|2,0,0]=2 30 B10R0.71 CCCCCCCCCCN D107311 [0,0,0,0,0,0|2,0,0]=2 31 B10R0.71 CCCCCCCCCCN D292748 [0,0,0,0,0,0|2,0,0]=2 32 B10R0.71 CCCCCCCCCCN D492584 [0,0,0,0,0,0|2,0,0]=2 33 B10R0.71 CCCCCCCCCCO D103414 [0,0,0,0,0,0|1,1,0]=2 34 B10R0.71 CCCCCCCCCCO D103415 [0,0,0,0,0,0|1,1,0]=2 35 B10R0.71 CCCCCCCCCCS D102323 [0,0,0,0,0,0|1,0,0]=1 36 B10R0.71 CCCCCCCCN=C=O O120151 [0,0,0,0,0,0|2,1,1]=4 37 B10R0.71 CCCCCCCCN=C=S O140573 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.71 CCCCCCCCNC=O N159413 [0,0,0,0,0,0|2,1,1]=4 39 B10R0.71 CCCCCCCCOC=O O302220 [0,0,0,0,0,0|2,1,1]=4 40 B10R0.71 CCCCCCNCCC#N H300337 [0,0,0,0,0,0|3,0,1]=4 41 B10R0.71 CCCCCNCCCCC D141107 [0,0,0,0,0,0|3,0,0]=3 42 B10R0.71 CCCCCOCCCCC D113292 [0,0,0,0,0,0|3,0,0]=3 43 B10R0.71 CCCCCSCCCCC A151356 [0,0,0,0,0,0|3,0,0]=3 44 B10R0.71 CCCCOCCOCCO B110647 [0,0,0,0,0,0|3,1,0]=4 45 B10R0.71 CCCCOCCOCCO B110648 [0,0,0,0,0,0|3,1,0]=4 46 B10R0.71 CCCCOCCOCCO B110651 [0,0,0,0,0,0|3,1,0]=4 47 B10R0.71 CCCCOCOCCCC D155924 [0,0,0,0,0,0|4,0,0]=4 48 B9R0.45 C(CCCCBr)CCCBr D106497 [1,0,0,0,0,0|2,0,0]=3 49 B9R0.45 C(CCCCBr)CCCO B153197 [1,0,0,0,0,0|1,1,0]=3 50 B9R0.45 C(CCCCBr)CCCO B467865 [1,0,0,0,0,0|1,1,0]=3 51 B9R0.45 C(CCCCCl)CCCCl D155002 [1,0,0,0,0,0|2,0,0]=3 52 B9R0.45 C(CCCCCl)CCCO C134369 [1,0,0,0,0,0|1,1,0]=3 53 B9R0.45 C(CCCCI)CCCI D155008 [1,0,0,0,0,0|2,0,0]=3 54 B9R0.45 C(CCCCI)CCCI D473785 [1,0,0,0,0,0|2,0,0]=3 55 B9R0.45 C(CCCCN)CCCN D106924 [1,0,0,0,0,0|2,0,0]=3 56 B9R0.45 C(CCCCN)CCCN O292851 [1,0,0,0,0,0|2,0,0]=3 57 B9R0.45 C(CCCCN)CCCN O492961 [1,0,0,0,0,0|2,0,0]=3 58 B9R0.45 C(CCCCO)CCCN A151057 [1,0,0,0,0,0|1,1,0]=3 59 B9R0.45 C(CCCCO)CCCO O106925 [1,0,0,0,0,0|0,2,0]=3 60 B9R0.45 C(CCCCS)CCCS O109630 [1,0,0,0,0,0|0,0,0]=1 61 B9R0.45 C(CCNCCCN)CN N136556 [1,0,0,0,0,0|3,0,0]=4 62 B9R0.45 C(CCNCCCN)CN N493987 [1,0,0,0,0,0|3,0,0]=4 63 B9R0.45 C(CCNCCCN)CN S107071 [1,0,0,0,0,0|3,0,0]=4 64 B9R0.45 C(CCNCCCN)CN S416439 [1,0,0,0,0,0|3,0,0]=4 65 B9R0.45 C(CCNCCCN)CN S421040 [1,0,0,0,0,0|3,0,0]=4 66 B9R0.45 C(COCCS)OCCS D154345 [1,0,0,0,0,0|2,0,0]=3 67 B9R0.45 C=CCCCCCCCBr B405165 [1,0,0,0,0,0|1,0,2]=4 68 B9R0.45 CCC=CCCCCCO N117508 [1,0,0,0,0,0|0,1,2]=4 69 B9R0.45 CCCCC#CCCCC D155794 [1,0,0,0,0,0|1,0,2]=4 70 B9R0.45 CCCCC=CCCCC C153572 [1,0,0,0,0,0|1,0,2]=4 71 B9R0.45 CCCCCC#CCCO N159701 [1,0,0,0,0,0|0,1,2]=4 72 B9R0.45 CCCCCC=CCCO C153389 [1,0,0,0,0,0|0,1,2]=4 73 B9R0.45 CCCCCCC=CCO C153388 [1,0,0,0,0,0|0,1,2]=4 74 B9R0.45 CCCCCCC=CCO T162746 [1,0,0,0,0,0|0,1,2]=4 75 B9R0.45 CCCCCCCCC#C D301987 [1,0,0,0,0,0|1,0,1]=3 76 B9R0.45 CCCCCCCCC#N N158917 [1,0,0,0,0,0|1,0,1]=3 77 B9R0.45 CCCCCCCCC=C D106872 [1,0,0,0,0,0|1,0,1]=3 78 B9R0.45 CCCCCCCCC=C D106873 [1,0,0,0,0,0|1,0,1]=3 79 B9R0.45 CCCCCCCCC=O N111142 [1,0,0,0,0,0|0,1,1]=3 80 B9R0.45 CCCCCCCCCBr B105786 [1,0,0,0,0,0|1,0,0]=2 81 B9R0.45 CCCCCCCCCC D105229 [1,0,0,0,0,0|1,0,0]=2 82 B9R0.45 CCCCCCCCCC D105230 [1,0,0,0,0,0|1,0,0]=2 83 B9R0.45 CCCCCCCCCC D105231 [1,0,0,0,0,0|1,0,0]=2 84 B9R0.45 CCCCCCCCCC D105232 [1,0,0,0,0,0|1,0,0]=2 85 B9R0.45 CCCCCCCCCC D119691 [1,0,0,0,0,0|1,0,0]=2 86 B9R0.45 CCCCCCCCCCl C153658 [1,0,0,0,0,0|1,0,0]=2 87 B9R0.45 CCCCCCCCCI I157582 [1,0,0,0,0,0|1,0,0]=2 88 B9R0.45 CCCCCCCCCN N106767 [1,0,0,0,0,0|1,0,0]=2 89 B9R0.45 CCCCCCCCCO N105713 [1,0,0,0,0,0|0,1,0]=2 90 B9R0.45 CCCCCCCCCO N105714 [1,0,0,0,0,0|0,1,0]=2 91 B9R0.45 CCCCCCCCCO N301992 [1,0,0,0,0,0|0,1,0]=2 92 B9R0.45 CCCCCCCCCS N102324 [1,0,0,0,0,0|0,0,0]=1 93 B9R0.45 CCCCCCCCNC N159069 [1,0,0,0,0,0|2,0,0]=3 94 B9R0.45 CCCCCCCCSC M135102 [1,0,0,0,0,0|2,0,0]=3 95 B9R0.45 CCCCCCCN=C=S H140574 [1,0,0,0,0,0|1,0,2]=4 96 B9R0.45 CCCCCCCNCC E124207 [1,0,0,0,0,0|2,0,0]=3 97 B9R0.45 CCCCCCNCCN B301384 [1,0,0,0,0,0|2,0,0]=3 98 B9R0.45 CCCCCCOCCO E107697 [1,0,0,0,0,0|1,1,0]=3 99 B9R0.45 CCCCCCOCCO E107698 [1,0,0,0,0,0|1,1,0]=3 100 B9R0.45 CCCCNCCCCO B151924 [1,0,0,0,0,0|1,1,0]=3 101 B9R0.45 CCCCSSCCCC D154917 [1,0,0,0,0,0|3,0,0]=4 102 B9R0.45 CCCCSSCCCC D154922 [1,0,0,0,0,0|3,0,0]=4 103 B9R0.45 CCOCCCCOCC D357158 [1,0,0,0,0,0|3,0,0]=4 104 B9R0.45 CNCCCCCCNC N159351 [1,0,0,0,0,0|3,0,0]=4 105 B9R0.45 COCCCCCCOC D155368 [1,0,0,0,0,0|3,0,0]=4 106 B11R0.3 C#CCCCCCCCCCO U162927 [0,1,0,0,0,0|1,1,0]=3 107 B11R0.3 C(CCCCC#N)CCCC#N S110880 [0,1,0,0,0,0|2,0,1]=4 108 B11R0.3 C(CCCCCBr)CCCCBr D103590 [0,1,0,0,0,0|2,0,0]=3 109 B11R0.3 C(CCCCCBr)CCCCO B121838 [0,1,0,0,0,0|1,1,0]=3 110 B11R0.3 C(CCCCCCl)CCCCCl D155237 [0,1,0,0,0,0|2,0,0]=3 111 B11R0.3 C(CCCCCI)CCCCI D155238 [0,1,0,0,0,0|2,0,0]=3 112 B11R0.3 C(CCCCCN)CCCCN D100615 [0,1,0,0,0,0|2,0,0]=3 113 B11R0.3 C(CCCCCN)CCCCN D292756 [0,1,0,0,0,0|2,0,0]=3 114 B11R0.3 C(CCCCCO)CCCCN A135376 [0,1,0,0,0,0|1,1,0]=3 115 B11R0.3 C(CCCCCO)CCCCO D107052 [0,1,0,0,0,0|0,2,0]=3 116 B11R0.3 C(CCCCCS)CCCCS D102334 [0,1,0,0,0,0|0,0,0]=1 117 B11R0.3 C(CN)CNCCNCCCN B102523 [0,1,0,0,0,0|3,0,0]=4 118 B11R0.3 C(CN)COCCOCCCN E303365 [0,1,0,0,0,0|3,0,0]=4 119 B11R0.3 C=CCCCCCCCCC=C D155636 [0,1,0,0,0,0|2,0,1]=4 120 B11R0.3 C=CCCCCCCCCC=O U114506 [0,1,0,0,0,0|1,1,1]=4 121 B11R0.3 C=CCCCCCCCCCBr B151980 [0,1,0,0,0,0|2,0,0]=3 122 B11R0.3 C=CCCCCCCCCCCl C469792 [0,1,0,0,0,0|2,0,0]=3 123 B11R0.3 C=CCCCCCCCCCO U106482 [0,1,0,0,0,0|1,1,0]=3 124 B11R0.3 CCCCCCC=CCCCC D155627 [0,1,0,0,0,0|2,0,1]=4 125 B11R0.3 CCCCCCCCCCC#C D155789 [0,1,0,0,0,0|2,0,0]=3 126 B11R0.3 CCCCCCCCCCC#N U162919 [0,1,0,0,0,0|2,0,0]=3 127 B11R0.3 CCCCCCCCCCC=C D106547 [0,1,0,0,0,0|2,0,0]=3 128 B11R0.3 CCCCCCCCCCC=C D106548 [0,1,0,0,0,0|2,0,0]=3 129 B11R0.3 CCCCCCCCCCC=O U105593 [0,1,0,0,0,0|1,1,0]=3 130 B11R0.3 CCCCCCCCCCCBr B152912 [0,1,0,0,0,0|2,0,0]=3 131 B11R0.3 CCCCCCCCCCCC D100105 [0,1,0,0,0,0|2,0,0]=3 132 B11R0.3 CCCCCCCCCCCC D100106 [0,1,0,0,0,0|2,0,0]=3 133 B11R0.3 CCCCCCCCCCCC D108175 [0,1,0,0,0,0|2,0,0]=3 134 B11R0.3 CCCCCCCCCCCC D108176 [0,1,0,0,0,0|2,0,0]=3 135 B11R0.3 CCCCCCCCCCCC D119697 [0,1,0,0,0,0|2,0,0]=3 136 B11R0.3 CCCCCCCCCCCC D195936 [0,1,0,0,0,0|2,0,0]=3 137 B11R0.3 CCCCCCCCCCCC D471947 [0,1,0,0,0,0|2,0,0]=3 138 B11R0.3 CCCCCCCCCCCCl C153589 [0,1,0,0,0,0|2,0,0]=3 139 B11R0.3 CCCCCCCCCCCI I170320 [0,1,0,0,0,0|2,0,0]=3 140 B11R0.3 CCCCCCCCCCCO U102901 [0,1,0,0,0,0|1,1,0]=3 141 B11R0.3 CCCCCCCCCCCO U102902 [0,1,0,0,0,0|1,1,0]=3 142 B11R0.3 CCCCCCCCCCCO U420650 [0,1,0,0,0,0|1,1,0]=3 143 B11R0.3 CCCCCCCCOCCO N339710 [0,1,0,0,0,0|1,1,0]=3 144 B11R0.3 CCCCCSSCCCCC D154921 [0,1,0,0,0,0|3,0,0]=4 145 B11R0.3 CCCCOCCOCCCC E156093 [0,1,0,0,0,0|3,0,0]=4 146 B11R0.3 CCNCCCCCCNCC N159352 [0,1,0,0,0,0|3,0,0]=4 147 B11R0.4 CCCCCCCC(=O)CCC U162909 [0,1,0,0,0,0|2,0,1]=4 148 B11R0.4 CCCCCCCC(CCC)O U162923 [0,1,0,0,0,0|2,0,0]=3 149 B11R0.40 CCCCCCCCC(=O)CC U162908 [0,1,0,0,0,0|2,0,1]=4 150 B11R0.40 CCCCCCCCC(CC)O U162922 [0,1,0,0,0,0|2,0,0]=3 151 B11R0.40 CCCCCCCCC(CO)O D154360 [0,1,0,0,0,0|1,1,0]=3 152 B11R0.81 CCCCCCC(=O)CCCC U162910 [0,1,0,0,0,0|2,0,1]=4 153 B11R0.81 CCCCCCC(CCCC)O U162924 [0,1,0,0,0,0|2,0,0]=3 154 B11R0.140 CCCCCC(=O)CCCCC U162907 [0,1,0,0,0,0|2,0,1]=4 155 B11R0.140 CCCCCC(CCCCC)N U405126 [0,1,0,0,0,0|2,0,0]=3 156 B11R0.148 C(CCCCBr)CCCC(=O)O B123554 [0,1,0,0,0,0|1,1,1]=4 157 B11R0.148 C(CCCCN)CCCC(=O)O A586392 [0,1,0,0,0,0|1,1,1]=4 158 B11R0.148 C(CCCCO)CCCC(=O)O C133682 [0,1,0,0,0,0|0,2,1]=4 159 B11R0.148 CCCCCCCCCC(=O)C U109753 [0,1,0,0,0,0|1,1,1]=4 160 B11R0.148 CCCCCCCCCC(=O)C U109754 [0,1,0,0,0,0|1,1,1]=4 161 B11R0.148 CCCCCCCCCC(=O)C U109755 [0,1,0,0,0,0|1,1,1]=4 162 B11R0.148 CCCCCCCCCC(=O)Cl D101725 [0,1,0,0,0,0|1,1,1]=4 163 B11R0.148 CCCCCCCCCC(=O)O D109189 [0,1,0,0,0,0|1,1,1]=4 164 B11R0.148 CCCCCCCCCC(=O)O D109191 [0,1,0,0,0,0|1,1,1]=4 165 B11R0.148 CCCCCCCCCC(=O)O D109192 [0,1,0,0,0,0|1,1,1]=4 166 B11R0.148 CCCCCCCCCC(=O)O D109193 [0,1,0,0,0,0|1,1,1]=4 167 B11R0.148 CCCCCCCCCC(=O)O D423444 [0,1,0,0,0,0|1,1,1]=4 168 B11R0.148 CCCCCCCCCC(=O)[O-] S161316 [0,1,0,0,0,0|1,1,1]=4 169 B11R0.148 CCCCCCCCCC(C)C I347910 [0,1,0,0,0,0|2,0,0]=3 170 B11R0.148 CCCCCCCCCC(C)C M158517 [0,1,0,0,0,0|2,0,0]=3 171 B11R0.148 CCCCCCCCCC(C)O U162921 [0,1,0,0,0,0|1,1,0]=3 172 B11R0.148 CCCCCCCCCC(C)O U418605 [0,1,0,0,0,0|1,1,0]=3 173 B11R1.4 C1CC(OC1)OCCCCO T273373 [0,0,0,1,0,0|1,2,0]=4 174 B11R1.17 CC1CCCCN1CCCN A117228 [0,0,0,1,0,0|3,0,0]=4 175 B11R1.28 C1CCC(CC1)CCCCO C303730 [0,0,0,1,0,0|1,1,0]=3 176 B11R1.28 C1CCC(CC1)NCCCN I137184 [0,0,0,1,0,0|3,0,0]=4 177 B11R1.28 C1CCOC(C1)OCCCBr B115796 [0,0,0,1,0,0|2,1,0]=4 178 B11R1.28 CCCCCC1CCCCC1 A151237 [0,0,0,1,0,0|2,0,0]=3 179 B11R1.99 CCCCCCCCC1CO1 E156384 [0,0,0,1,0,0|1,1,0]=3 180 B11R1.203 C1CCCN(CC1)CCCO A478936 [0,0,0,1,0,0|2,1,0]=4 181 B11R1.203 CCCCN1CCCCCC1 N341568 [0,0,0,1,0,0|3,0,0]=4 182 B8R0.4 C(CCCBr)CCCBr D106496 [2,0,0,0,0,0|2,0,0]=4 183 B8R0.4 C(CCCN)CCCN D111099 [2,0,0,0,0,0|2,0,0]=4 184 B8R0.4 C(CCCN)CCCO A493194 [2,0,0,0,0,0|1,1,0]=4 185 B8R0.4 C(CCCO)CCCBr B132089 [2,0,0,0,0,0|1,1,0]=4 186 B8R0.4 C(CCCO)CCCO H136447 [2,0,0,0,0,0|0,2,0]=4 187 B8R0.4 CCCCCC#CCC N159650 [2,0,0,0,0,0|0,0,2]=4 188 B8R0.4 CCCCCCCC#C N100831 [2,0,0,0,0,0|0,0,2]=4 189 B8R0.4 CCCCCCCC=C N109555 [2,0,0,0,0,0|0,0,2]=4 190 B8R0.4 CCCCCCCC=C N110481 [2,0,0,0,0,0|0,0,2]=4 191 B8R0.4 CCCCCCCC=O O106930 [2,0,0,0,0,0|0,1,1]=4 192 B8R0.4 CCCCCCCC=O O106931 [2,0,0,0,0,0|0,1,1]=4 193 B8R0.4 CCCCCCCC=O O345608 [2,0,0,0,0,0|0,1,1]=4 194 B8R0.4 CCCCCCCCBr B105260 [2,0,0,0,0,0|1,0,0]=3 195 B8R0.4 CCCCCCCCC N103391 [2,0,0,0,0,0|0,0,0]=2 196 B8R0.4 CCCCCCCCC N103392 [2,0,0,0,0,0|0,0,0]=2 197 B8R0.4 CCCCCCCCC N103393 [2,0,0,0,0,0|0,0,0]=2 198 B8R0.4 CCCCCCCCC N119711 [2,0,0,0,0,0|0,0,0]=2 199 B8R0.4 CCCCCCCCCl C111401 [2,0,0,0,0,0|1,0,0]=3 200 B8R0.4 CCCCCCCCCl C111402 [2,0,0,0,0,0|1,0,0]=3 201 B8R0.4 CCCCCCCCF F170468 [2,0,0,0,0,0|1,0,0]=3 202 B8R0.4 CCCCCCCCI I157580 [2,0,0,0,0,0|1,0,0]=3 203 B8R0.4 CCCCCCCCN N159007 [2,0,0,0,0,0|1,0,0]=3 204 B8R0.4 CCCCCCCCN N159690 [2,0,0,0,0,0|1,0,0]=3 205 B8R0.4 CCCCCCCCN O110545 [2,0,0,0,0,0|1,0,0]=3 206 B8R0.4 CCCCCCCCN O110546 [2,0,0,0,0,0|1,0,0]=3 207 B8R0.4 CCCCCCCCN O491873 [2,0,0,0,0,0|1,0,0]=3 208 B8R0.4 CCCCCCCCN O492190 [2,0,0,0,0,0|1,0,0]=3 209 B8R0.4 CCCCCCCCO O103324 [2,0,0,0,0,0|0,1,0]=3 210 B8R0.4 CCCCCCCCO O103325 [2,0,0,0,0,0|0,1,0]=3 211 B8R0.4 CCCCCCCCO O103326 [2,0,0,0,0,0|0,1,0]=3 212 B8R0.4 CCCCCCCCO O119018 [2,0,0,0,0,0|0,1,0]=3 213 B8R0.4 CCCCCCCCO O119679 [2,0,0,0,0,0|0,1,0]=3 214 B8R0.4 CCCCCCCCO O491594 [2,0,0,0,0,0|0,1,0]=3 215 B8R0.4 CCCCCCCCS O105587 [2,0,0,0,0,0|0,0,0]=2 216 B8R0.4 CCCCCCCC[CH2-] N332405 [2,0,0,0,0,0|0,0,1]=3 217 B8R0.4 CCCCCCCC[NH3+] N290338 [2,0,0,0,0,0|1,0,0]=3 218 B8R0.4 CCCCCCCSC H157103 [2,0,0,0,0,0|1,0,0]=3 219 B8R0.4 CCCCNCCCC D111219 [2,0,0,0,0,0|1,0,0]=3 220 B8R0.4 CCCCNCCCC D189175 [2,0,0,0,0,0|1,0,0]=3 221 B8R0.4 CCCCNCCCC D345139 [2,0,0,0,0,0|1,0,0]=3 222 B8R0.4 CCCCNCCCC D404365 [2,0,0,0,0,0|1,0,0]=3 223 B8R0.4 CCCCNCCCC D404367 [2,0,0,0,0,0|1,0,0]=3 224 B8R0.4 CCCCNCCCC D431482 [2,0,0,0,0,0|1,0,0]=3 225 B8R0.4 CCCCNCCCC D494160 [2,0,0,0,0,0|1,0,0]=3 226 B8R0.4 CCCCOCCCC B110451 [2,0,0,0,0,0|1,0,0]=3 227 B8R0.4 CCCCOCCCC B110452 [2,0,0,0,0,0|1,0,0]=3 228 B8R0.4 CCCCOCCCC B110453 [2,0,0,0,0,0|1,0,0]=3 229 B8R0.4 CCCCOCCCC B119693 [2,0,0,0,0,0|1,0,0]=3 230 B8R0.4 CCCCOCCCC B194104 [2,0,0,0,0,0|1,0,0]=3 231 B8R0.4 CCCCOCCCN B152034 [2,0,0,0,0,0|2,0,0]=4 232 B8R0.4 CCCCSCCCC B136661 [2,0,0,0,0,0|1,0,0]=3 233 B8R0.4 CCNCCCNCC D124208 [2,0,0,0,0,0|2,0,0]=4 234 B8R0.4 COCCCCCOC D155548 [2,0,0,0,0,0|2,0,0]=4 235 B10R0.1 CCCCCCC(=O)CCC D154230 [1,1,0,0,0,0|1,0,1]=4 236 B10R0.1 CCCCCCC(CCC)O D154356 [1,1,0,0,0,0|1,0,0]=3 237 B10R0.4 B(CCCCCCCC)(O)O N404820 [1,1,0,0,0,0|1,1,0]=4 238 B10R0.4 CC(C)CCCCCCCO I298943 [1,1,0,0,0,0|0,1,0]=3 239 B10R0.4 CCCCCCCCC(=O)C D139185 [1,1,0,0,0,0|0,1,1]=4 240 B10R0.4 CCCCCCCCC(=O)C D139186 [1,1,0,0,0,0|0,1,1]=4 241 B10R0.4 CCCCCCCCC(=O)C D464910 [1,1,0,0,0,0|0,1,1]=4 242 B10R0.4 CCCCCCCCC(=O)Cl N158955 [1,1,0,0,0,0|0,1,1]=4 243 B10R0.4 CCCCCCCCC(=O)Cl N158958 [1,1,0,0,0,0|0,1,1]=4 244 B10R0.4 CCCCCCCCC(=O)O N110892 [1,1,0,0,0,0|0,1,1]=4 245 B10R0.4 CCCCCCCCC(=O)O N110893 [1,1,0,0,0,0|0,1,1]=4 246 B10R0.4 CCCCCCCCC(=O)O N110894 [1,1,0,0,0,0|0,1,1]=4 247 B10R0.4 CCCCCCCCC(=O)O N110895 [1,1,0,0,0,0|0,1,1]=4 248 B10R0.4 CCCCCCCCC(=O)O N196934 [1,1,0,0,0,0|0,1,1]=4 249 B10R0.4 CCCCCCCCC(=O)O N420639 [1,1,0,0,0,0|0,1,1]=4 250 B10R0.4 CCCCCCCCC(=O)[O-] S161312 [1,1,0,0,0,0|0,1,1]=4 251 B10R0.4 CCCCCCCCC(C)C M304432 [1,1,0,0,0,0|1,0,0]=3 252 B10R0.4 CCCCCCCCC(C)O D154355 [1,1,0,0,0,0|0,1,0]=3 253 B10R0.4 CCCCCCCCN(C)C D106326 [1,1,0,0,0,0|2,0,0]=4 254 B10R0.74 CCCCCCCC(=O)CC D154228 [1,1,0,0,0,0|1,0,1]=4 255 B10R0.74 CCCCCCCC(C=C)O D154363 [1,1,0,0,0,0|1,0,1]=4 256 B10R0.74 CCCCCCCC(CC)O D154380 [1,1,0,0,0,0|1,0,0]=3 257 B10R0.91 CCCCCC(CCCC)O D154357 [1,1,0,0,0,0|1,0,0]=3 258 B12R0.1 CCCCCCCCC(C)CCC M158515 [0,2,0,0,0,0|2,0,0]=4 259 B12R0.5 C(CCCCC#N)CCCCC#N U162920 [0,2,0,0,0,0|2,0,0]=4 260 B12R0.5 C(CCCCCBr)CCCCCBr D138351 [0,2,0,0,0,0|2,0,0]=4 261 B12R0.5 C(CCCCCO)CCCCCBr B102369 [0,2,0,0,0,0|1,1,0]=4 262 B12R0.5 C(CCCCCO)CCCCCO U186484 [0,2,0,0,0,0|0,2,0]=4 263 B12R0.5 C(CCCCCO)CCCCCS W136857 [0,2,0,0,0,0|0,1,0]=3 264 B12R0.5 C(COCCOCCOCCS)O M469947 [0,2,0,0,0,0|1,1,0]=4 265 B12R0.5 CCC#CCCCCCCCCO D348396 [0,2,0,0,0,0|1,1,0]=4 266 B12R0.5 CCCCCCCCCC=CCO T161454 [0,2,0,0,0,0|1,1,0]=4 267 B12R0.5 CCCCCCCCCCCC#C T332514 [0,2,0,0,0,0|2,0,0]=4 268 B12R0.5 CCCCCCCCCCCC#N D101445 [0,2,0,0,0,0|2,0,0]=4 269 B12R0.5 CCCCCCCCCCCC=C T162364 [0,2,0,0,0,0|2,0,0]=4 270 B12R0.5 CCCCCCCCCCCC=C T162510 [0,2,0,0,0,0|2,0,0]=4 271 B12R0.5 CCCCCCCCCCCC=O L105454 [0,2,0,0,0,0|1,1,0]=4 272 B12R0.5 CCCCCCCCCCCCBr B105789 [0,2,0,0,0,0|2,0,0]=4 273 B12R0.5 CCCCCCCCCCCCC T108177 [0,2,0,0,0,0|2,0,0]=4 274 B12R0.5 CCCCCCCCCCCCC T108178 [0,2,0,0,0,0|2,0,0]=4 275 B12R0.5 CCCCCCCCCCCCC T108179 [0,2,0,0,0,0|2,0,0]=4 276 B12R0.5 CCCCCCCCCCCCC T108180 [0,2,0,0,0,0|2,0,0]=4 277 B12R0.5 CCCCCCCCCCCCCl C110969 [0,2,0,0,0,0|2,0,0]=4 278 B12R0.5 CCCCCCCCCCCCF F169659 [0,2,0,0,0,0|2,0,0]=4 279 B12R0.5 CCCCCCCCCCCCI I157556 [0,2,0,0,0,0|2,0,0]=4 280 B12R0.5 CCCCCCCCCCCCN D113938 [0,2,0,0,0,0|2,0,0]=4 281 B12R0.5 CCCCCCCCCCCCN D113939 [0,2,0,0,0,0|2,0,0]=4 282 B12R0.5 CCCCCCCCCCCCN D154685 [0,2,0,0,0,0|2,0,0]=4 283 B12R0.5 CCCCCCCCCCCCN D154916 [0,2,0,0,0,0|2,0,0]=4 284 B12R0.5 CCCCCCCCCCCCN D292887 [0,2,0,0,0,0|2,0,0]=4 285 B12R0.5 CCCCCCCCCCCCN D292896 [0,2,0,0,0,0|2,0,0]=4 286 B12R0.5 CCCCCCCCCCCCO D112297 [0,2,0,0,0,0|1,1,0]=4 287 B12R0.5 CCCCCCCCCCCCO D112298 [0,2,0,0,0,0|1,1,0]=4 288 B12R0.5 CCCCCCCCCCCCO D112299 [0,2,0,0,0,0|1,1,0]=4 289 B12R0.5 CCCCCCCCCCCCO D431501 [0,2,0,0,0,0|1,1,0]=4 290 B12R0.5 CCCCCCCCCCCCS D105610 [0,2,0,0,0,0|1,0,0]=3 291 B12R0.5 CCCCCCNCCCCCC D105361 [0,2,0,0,0,0|2,0,0]=4 292 B12R0.5 CCCCCCOCCOCCO D111066 [0,2,0,0,0,0|1,1,0]=4 293 B12R0.5 CCCCCCSCCCCCC H157107 [0,2,0,0,0,0|2,0,0]=4 294 B12R0.234 C(CCCCC(=O)O)CCCCBr C118560 [0,2,0,0,0,0|1,1,0]=4 295 B12R0.234 C(CCCCC(=O)O)CCCCO H115187 [0,2,0,0,0,0|0,2,0]=4 296 B12R0.234 CCCCCCCCCCC(=O)C D154643 [0,2,0,0,0,0|1,1,0]=4 297 B12R0.234 CCCCCCCCCCC(=O)Cl U101147 [0,2,0,0,0,0|1,1,0]=4 298 B12R0.234 CCCCCCCCCCC(=O)O U109481 [0,2,0,0,0,0|1,1,0]=4 299 B12R0.234 CCCCCCCCCCC(=O)O U109482 [0,2,0,0,0,0|1,1,0]=4 300 B12R0.234 CCCCCCCCCCC(=O)O U109483 [0,2,0,0,0,0|1,1,0]=4 301 B12R0.234 CCCCCCCCCCC(=O)O U420645 [0,2,0,0,0,0|1,1,0]=4 302 B12R0.234 CCCCCCCCCCC(C)O D154178 [0,2,0,0,0,0|1,1,0]=4 303 B12R0.234 CCCCCCCCCCN(C)C N159296 [0,2,0,0,0,0|2,0,0]=4 304 B12R0.248 CCCCCCCCCC(=O)CC D478717 [0,2,0,0,0,0|2,0,0]=4 305 B12R0.248 CCCCCCCCCC(C)C=O M355340 [0,2,0,0,0,0|1,1,0]=4 306 B12R0.248 CCCCCCCCOC(=O)CS N159502 [0,2,0,0,0,0|1,0,1]=4 307 B12R0.111 CCCCCCC(CCCC)CBr B405336 [0,2,0,0,0,0|2,0,0]=4 308 B12R0.111 CCCCCCC(CCCC)CN B405286 [0,2,0,0,0,0|2,0,0]=4 309 B12R0.111 CCCCCCC(CCCC)CO B152929 [0,2,0,0,0,0|2,0,0]=4 310 B10R1.4 CCCC1CCCCC1=O P160132 [1,0,0,1,0,0|0,1,1]=4 311 B10R1.7 C1CCCC(C(CC1)O)O C346997 [1,0,0,1,0,0|0,2,0]=4 312 B10R1.17 C1CCC(CC1)CCC=O C479079 [1,0,0,1,0,0|0,1,1]=4 313 B10R1.17 C1CCC(CC1)CCCN C170358 [1,0,0,1,0,0|1,0,0]=3 314 B10R1.17 C1CCC(CC1)CCCO C153386 [1,0,0,1,0,0|0,1,0]=3 315 B10R1.17 C1CCC(CC1)NCCO N140389 [1,0,0,1,0,0|1,1,0]=4 316 B10R1.17 C1CCN(CC1)CCCCl C153868 [1,0,0,1,0,0|2,0,0]=4 317 B10R1.17 C1CCN(CC1)CCCN I169845 [1,0,0,1,0,0|2,0,0]=4 318 B10R1.17 C1CCN(CC1)CCCO P132596 [1,0,0,1,0,0|1,1,0]=4 319 B10R1.17 CCCCC1CCCCC1 B152699 [1,0,0,1,0,0|1,0,0]=3 320 B10R1.20 C1CCC(C(C1)CO)CO I133239 [1,0,0,1,0,0|0,2,0]=4 321 B10R1.20 C1CCC(C(C1)CO)CO R160969 [1,0,0,1,0,0|0,2,0]=4 322 B10R1.20 C1CCC(C(C1)CO)CO S588709 [1,0,0,1,0,0|0,2,0]=4 323 B10R1.20 C1CCC(C(C1)CO)CO T162621 [1,0,0,1,0,0|0,2,0]=4 324 B10R1.21 C1CCN(C1)CCCCN P124719 [1,0,0,1,0,0|2,0,0]=4 325 B10R1.85 C1CCCC(CC1)CCN C170395 [1,0,0,1,0,0|1,0,0]=3 326 B10R1.85 C1CCCN(CC1)CCCl C138586 [1,0,0,1,0,0|2,0,0]=4 327 B10R1.85 C1CCCN(CC1)CCO H168438 [1,0,0,1,0,0|1,1,0]=4 328 B12R1.8 C1CCOC(C1)OCCCCBr B153127 [0,1,0,1,0,0|1,1,0]=4 329 B12R1.8 CCCCCCC1CCCCC1 H157209 [0,1,0,1,0,0|2,0,0]=4 330 B12R1.37 CCCCCCCC1OCCO1 H404571 [0,1,0,1,0,0|1,1,0]=4 331 B12R1.372 CCCCCCC1CCCC1=O H117489 [0,1,0,1,0,0|1,1,0]=4 332 B12R1.550 C1CCCCCC=CCCCC1 C153414 [0,1,0,1,0,0|2,0,0]=4 333 B12R1.550 C1CCCCCCCCCCC1 C153591 [0,1,0,1,0,0|2,0,0]=4 334 B12R1.1 CCCCCC1CCC(CC1)N A151368 [0,1,0,1,0,0|2,0,0]=4 335 B12R1.1 CCCCCC1CCC(CC1)O A133487 [0,1,0,1,0,0|2,0,0]=4 336 B12R1.1 CCCCCC1CCC(CC1)O T161561 [0,1,0,1,0,0|2,0,0]=4 337 B12R2.24 C1CCC2CC(CCC2C1)O D154359 [0,0,0,2,0,0|1,1,0]=4 338 B12R2.1081 C1CCC2C(C1)CCCC2O C350379 [0,0,0,2,0,0|1,1,0]=4