0 B12R0.234 C#CCCCCCCCCC(=O)O SBB008483 [0,0,0,0,0,0|0,0,2]=2 1 B12R0.234 C=CCCCCCCCCC(=O)Cl SBB009003 [0,0,0,0,0,0|1,0,2]=3 2 B12R0.234 C=CCCCCCCCCC(=O)O SBB009049 [0,0,0,0,0,0|0,0,2]=2 3 B12R0.234 CCCCCCCCCCC(=O)Cl SBB060536 [0,0,0,0,0,0|1,0,0]=1 4 B12R0.234 CCCCCCCCCCC(=O)O SBB058709 [0,0,0,0,0,0|0,0,0]=0 5 B12R0.234 CCCCCCCCCCC(C)O SBB060451 [0,0,0,0,0,0|1,0,1]=2 6 B12R0.234 CCCCCCCCCCN(C)C SBB060244 [0,0,0,0,0,0|3,0,0]=3 7 B12R0.234 CCCCCCCCCOC(C)=O SBB060586 [0,0,0,0,0,0|2,0,0]=2 8 B12R0.234 CCCCCCCCOCC(C)O SBB061010 [0,0,0,0,0,0|2,0,1]=3 9 B11R0.3 C#CCCCCCCCCCO SBB009008 [1,0,0,0,0,0|0,0,3]=4 10 B11R0.3 C=CCCCCCCCCCBr SBB059242 [1,0,0,0,0,0|2,0,0]=3 11 B11R0.3 C=CCCCCCCCCCC SBB059886 [1,0,0,0,0,0|1,0,0]=2 12 B11R0.3 C=CCCCCCCCCCO SBB009050 [1,0,0,0,0,0|2,0,0]=3 13 B11R0.3 CCCCCCCCCCC#N SBB060054 [1,0,0,0,0,0|1,0,1]=3 14 B11R0.3 CCCCCCCCCCC=O SBB059873 [1,0,0,0,0,0|0,0,0]=1 15 B11R0.3 CCCCCCCCCCCBr SBB059940 [1,0,0,0,0,0|1,0,1]=3 16 B11R0.3 CCCCCCCCCCCCl SBB059958 [1,0,0,0,0,0|1,0,1]=3 17 B11R0.3 CCCCCCCCCCCI SBB061359 [1,0,0,0,0,0|1,0,1]=3 18 B11R0.3 CCCCCCCCCCCO SBB059909 [1,0,0,0,0,0|0,0,1]=2 19 B11R0.3 CCCCCCCCCCNC SBB059819 [1,0,0,0,0,0|2,0,0]=3 20 B11R0.3 CCCCCCCCCOC=O SBB060304 [1,0,0,0,0,0|1,0,0]=2 21 B11R0.3 CCCCCCCCNCCC SBB059839 [1,0,0,0,0,0|2,0,1]=4 22 B11R0.3 CCCCCCCCNCCO SBB056741 [1,0,0,0,0,0|1,0,1]=3 23 B11R0.3 CCCCCCCCOCCCl SBB060220 [1,0,0,0,0,0|2,0,1]=4 24 B11R0.3 CCCCCCCCOCCN SBB071652 [1,0,0,0,0,0|2,0,1]=4 25 B11R0.3 CCCCCCCCOCCO SBB059919 [1,0,0,0,0,0|1,0,1]=3 26 B11R0.3 CCCCCCCCSCCO SBB013612 [1,0,0,0,0,0|1,0,1]=3 27 B11R0.3 CCCCCCCCSCCS SBB061350 [1,0,0,0,0,0|1,1,1]=4 28 B11R0.3 CCCCCCCNCCCC SBB059767 [1,0,0,0,0,0|2,0,1]=4 29 B11R0.3 CCCCCSCCOCCO SBB060445 [1,0,0,0,0,0|2,0,1]=4 30 B11R0.3 ClCCCCCCCCCCCl SBB061063 [1,0,0,0,0,0|2,0,1]=4 31 B11R0.3 OCCCCCCCCCCBr SBB059278 [1,0,0,0,0,0|1,0,1]=3 32 B11R0.3 OCCCCCCCCCCO SBB008880 [1,0,0,0,0,0|1,0,1]=3 33 B11R0.3 SCCCCCCCCCCS SBB066557 [1,0,0,0,0,0|1,1,1]=4 34 B11R0.3 [NH2+](CCCC)CCCCCCC SBB061641 [1,0,0,0,0,0|2,0,1]=4 35 B11R0.148 CCCCCCCCCC(=O)Cl SBB060015 [1,0,0,0,0,0|1,0,0]=2 36 B11R0.148 CCCCCCCCCC(=O)O SBB060022 [1,0,0,0,0,0|0,0,0]=1 37 B11R0.148 CCCCCCCCCC(C)=O SBB060389 [1,0,0,0,0,0|1,0,0]=2 38 B11R0.148 CCCCCCCCCC(N)=O SBB061052 [1,0,0,0,0,0|1,0,0]=2 39 B11R0.148 CCCCCCCCOC(C)=O SBB060585 [1,0,0,0,0,0|2,0,0]=3 40 B11R0.148 CCCCSCCCCC(=O)O SBB019267 [1,0,0,0,0,0|1,0,0]=2 41 B13R0.54 CCCCCCCCCCCC(=O)Cl SBB060016 [0,1,0,0,0,0|1,0,0]=2 42 B13R0.54 CCCCCCCCCCCC(=O)O SBB060023 [0,1,0,0,0,0|0,0,0]=1 43 B13R0.54 CCCCCCCCCCCC(N)=O SBB061051 [0,1,0,0,0,0|1,0,0]=2 44 B13R0.54 CCCCCCCCCCCN(C)C SBB061365 [0,1,0,0,0,0|3,0,0]=4 45 B13R0.54 CCCCCCCCCCNC(N)=S SBB017790 [0,1,0,0,0,0|1,1,0]=3 46 B13R0.54 CCCCCCCCCCOC(C)=O SBB058677 [0,1,0,0,0,0|1,0,0]=2 47 B13R0.54 CCCCCCCCSCCC(=O)O SBB000583 [0,1,0,0,0,0|0,0,0]=1 48 B13R0.54 CCCCSCCCCCCC(=O)O SBB001713 [0,1,0,0,0,0|0,0,0]=1 49 B13R0.54 NCCCCCCCCCCC(=O)O SBB058716 [0,1,0,0,0,0|0,0,0]=1 50 B13R0.54 O=C(O)CCCCCCCCCCBr SBB061375 [0,1,0,0,0,0|0,0,0]=1 51 B13R0.147 CCCCCCCCCCC(=O)OC SBB060594 [0,1,0,0,0,0|0,0,0]=1 52 B13R0.147 CCCCCCCCCCC(Br)CBr SBB060500 [0,1,0,0,0,0|2,0,1]=4 53 B13R0.147 CCCCCCCCCCC(Cl)CCl SBB060454 [0,1,0,0,0,0|2,0,1]=4 54 B13R0.147 CCCCCCCCOCC(O)CCl SBB059974 [0,1,0,0,0,0|2,0,1]=4 55 B13R0.147 CCCCCCCCOCC(O)CO SBB060187 [0,1,0,0,0,0|1,0,2]=4 56 B13R0.147 COC(=O)CCCCCCCCC=O SBB061580 [0,1,0,0,0,0|1,0,1]=3 57 B13R0.179 NC(=O)CCCCCCCCC(N)=O SBB060753 [0,1,0,0,0,0|2,0,1]=4 58 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl SBB060018 [0,1,0,0,0,0|2,0,1]=4 59 B13R0.179 O=C(O)CCCCCCCCC(=O)O SBB060280 [0,1,0,0,0,0|1,0,1]=3 60 B13R0.280 CCCCCCCCCCP(=O)(O)O SBB057479 [0,1,0,0,0,0|1,0,0]=2 61 B13R0.280 CCCCCCCCCC[N+](C)(C)C SBB060104 [0,1,0,0,0,0|3,0,0]=4 62 B13R0.335 CCCCCCCOC(=O)CC(C)=O SBB060040 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.279 NC1CCCCCCCCCCC1 SBB003726 [0,0,0,1,0,0|2,0,1]=4 64 B13R1.279 O=C1CCCCCCCCCCC1 SBB060076 [0,0,0,1,0,0|1,0,0]=2 65 B13R1.279 O=C1CCCCCCCCCCO1 SBB061611 [0,0,0,1,0,0|0,0,0]=1 66 B13R1.279 OC1CCCCCCCCCCC1 SBB060734 [0,0,0,1,0,0|1,0,1]=3 67 B13R1.659 CCCCCCCCOCC1CO1 SBB060099 [0,0,0,1,0,0|2,0,1]=4 68 B13R1.1988 O=C(O)CCCN1CCCCCC1 SBB077232 [0,0,0,1,0,0|1,0,0]=2 69 B10R0.71 C=CCCCCCCCCBr SBB059351 [2,0,0,0,0,0|1,0,1]=4 70 B10R0.71 C=CCCCCCCCCC SBB009051 [2,0,0,0,0,0|0,0,1]=3 71 B10R0.71 CCCCC#CCCCCO SBB008895 [2,0,0,0,0,0|0,0,2]=4 72 B10R0.71 CCCCCCC#CCCO SBB008896 [2,0,0,0,0,0|0,0,2]=4 73 B10R0.71 CCCCCCCC#CCO SBB008898 [2,0,0,0,0,0|0,0,2]=4 74 B10R0.71 CCCCCCCCCC=O SBB058676 [2,0,0,0,0,0|0,0,0]=2 75 B10R0.71 CCCCCCCCCCBr SBB008838 [2,0,0,0,0,0|1,0,0]=3 76 B10R0.71 CCCCCCCCCCCl SBB059957 [2,0,0,0,0,0|1,0,0]=3 77 B10R0.71 CCCCCCCCCCF SBB087464 [2,0,0,0,0,0|1,0,0]=3 78 B10R0.71 CCCCCCCCCCO SBB059908 [2,0,0,0,0,0|0,0,0]=2 79 B10R0.71 CCCCCCCCCNC SBB059836 [2,0,0,0,0,0|1,0,1]=4 80 B10R0.71 CCCCCCCCN=C=O SBB068604 [2,0,0,0,0,0|1,0,1]=4 81 B10R0.71 CCCCCCCCNC=O SBB061176 [2,0,0,0,0,0|1,0,0]=3 82 B10R0.71 CCCCCCCCOCC SBB061155 [2,0,0,0,0,0|1,0,1]=4 83 B10R0.71 CCCCCCCOCCCl SBB060219 [2,0,0,0,0,0|2,0,0]=4 84 B10R0.71 CCCCCCCOCCO SBB060174 [2,0,0,0,0,0|1,0,0]=3 85 B10R0.71 CCCCCCCSCCO SBB019264 [2,0,0,0,0,0|1,0,0]=3 86 B10R0.71 CCCCCCNCCCC SBB059766 [2,0,0,0,0,0|1,0,1]=4 87 B10R0.71 CCCCCSCCCCC SBB060112 [2,0,0,0,0,0|1,0,1]=4 88 B10R0.71 CCCCNCCOCCO SBB059813 [2,0,0,0,0,0|2,0,0]=4 89 B10R0.71 CCCCOCCOCCO SBB059921 [2,0,0,0,0,0|2,0,0]=4 90 B10R0.71 CCCCOCCSCCO SBB061080 [2,0,0,0,0,0|2,0,0]=4 91 B10R0.71 CCCCSCCOCCO SBB056691 [2,0,0,0,0,0|2,0,0]=4 92 B10R0.71 CCCC\C=C\CCCCO SBB008885 [2,0,0,0,0,0|0,0,2]=4 93 B10R0.71 NCCCCCCCCCN SBB058794 [2,0,0,0,0,0|2,0,0]=4 94 B10R0.71 OCCCCCCCCCO SBB008482 [2,0,0,0,0,0|1,0,0]=3 95 B10R0.71 SCCCCCCCCCS SBB066560 [2,0,0,0,0,0|1,1,0]=4 96 B10R0.71 [NH2+](CCCC)CCCCCC SBB061637 [2,0,0,0,0,0|1,0,1]=4 97 B10R0.4 CCCCCCCCB(O)O SBB071319 [2,0,0,0,0,0|1,0,1]=4 98 B10R0.4 CCCCCCCCC(=O)Cl SBB060014 [2,0,0,0,0,0|1,0,0]=3 99 B10R0.4 CCCCCCCCC(=O)O SBB058693 [2,0,0,0,0,0|0,0,0]=2 100 B10R0.4 CCCCCCCCC(N)=O SBB061053 [2,0,0,0,0,0|1,0,0]=3 101 B10R0.4 CCCCCCCOC(C)=O SBB060307 [2,0,0,0,0,0|2,0,0]=4 102 B10R0.4 OC(=O)CCCCCCCN SBB006735 [2,0,0,0,0,0|1,0,0]=3 103 B12R0.1 CCCCCCCCC(O)CCC SBB059911 [1,1,0,0,0,0|1,0,1]=4 104 B12R0.5 C=CCCCCCCCCCCC SBB009033 [1,1,0,0,0,0|1,0,0]=3 105 B12R0.5 CCC#CCCCCCCCCO SBB008814 [1,1,0,0,0,0|0,0,2]=4 106 B12R0.5 CCCCCCCCCCCC=O SBB059874 [1,1,0,0,0,0|0,0,0]=2 107 B12R0.5 CCCCCCCCCCCCBr SBB059941 [1,1,0,0,0,0|1,0,1]=4 108 B12R0.5 CCCCCCCCCCCCCl SBB059959 [1,1,0,0,0,0|1,0,1]=4 109 B12R0.5 CCCCCCCCCCCCF SBB090835 [1,1,0,0,0,0|1,0,1]=4 110 B12R0.5 CCCCCCCCCCCCN SBB007640 [1,1,0,0,0,0|1,0,1]=4 111 B12R0.5 CCCCCCCCCCCCN SBB059988 [1,1,0,0,0,0|1,0,1]=4 112 B12R0.5 CCCCCCCCCCCCO SBB008734 [1,1,0,0,0,0|0,0,1]=3 113 B12R0.5 CCCCCCCCCCCCS SBB060132 [1,1,0,0,0,0|0,1,1]=4 114 B12R0.5 CCCCCCCCCCCNC SBB059830 [1,1,0,0,0,0|1,0,1]=4 115 B12R0.5 CCCCCCCCCCNC=O SBB061177 [1,1,0,0,0,0|0,0,0]=2 116 B12R0.5 CCCCCCCCCSCCO SBB019265 [1,1,0,0,0,0|0,0,1]=3 117 B12R0.5 CCCCCCCCNCCCC SBB059768 [1,1,0,0,0,0|1,0,1]=4 118 B12R0.5 CCCCCCCCNCCOC SBB059794 [1,1,0,0,0,0|1,0,1]=4 119 B12R0.5 CCCCCCNCCCCCC SBB059818 [1,1,0,0,0,0|1,0,1]=4 120 B12R0.5 CCCCCCOCCCCCC SBB061195 [1,1,0,0,0,0|1,0,1]=4 121 B12R0.5 CCCCCCOCCOCCO SBB060179 [1,1,0,0,0,0|1,0,1]=4 122 B12R0.5 CCCCCCSCCCCCC SBB061018 [1,1,0,0,0,0|1,0,1]=4 123 B12R0.5 NCCCCCCCCCCCC SBB003344 [1,1,0,0,0,0|1,0,1]=4 124 B12R0.5 OCCCCCCCCCCCBr SBB061556 [1,1,0,0,0,0|0,0,1]=3 125 B12R0.5 [NH2+](CCCC)CCCCCCCC SBB061639 [1,1,0,0,0,0|1,0,1]=4 126 B12R0.47 CCCCCCC(O)CCCCC SBB059913 [1,1,0,0,0,0|1,0,1]=4 127 B12R0.206 CCCCCCCC(O)CCCC SBB059912 [1,1,0,0,0,0|1,0,1]=4 128 B12R0.248 CCCCCCCCCC(C)C=O SBB060149 [1,1,0,0,0,0|0,0,0]=2 129 B12R0.248 CCCCCCCCCC(O)CC SBB059910 [1,1,0,0,0,0|1,0,1]=4 130 B12R0.268 O=C(O)CCCCCCCC(=O)O SBB060279 [1,1,0,0,0,0|1,0,1]=4 131 B14R0.68 O=C(O)CCCCCCCCCC(=O)O SBB069138 [0,2,0,0,0,0|0,0,1]=3 132 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] SBB007683 [0,2,0,0,0,0|1,0,1]=4 133 B14R0.305 O=C(O)CCCCCCCCC(O)CO SBB056632 [0,2,0,0,0,0|0,0,0]=2 134 B14R0.337 CCCCCCCCCCCC(=O)NN SBB056837 [0,2,0,0,0,0|1,0,0]=3 135 B14R0.337 CCCCCCCCCCCC(=O)OC SBB058684 [0,2,0,0,0,0|0,0,0]=2 136 B14R0.337 CCCCCCCCCCOC(=O)CC SBB056766 [0,2,0,0,0,0|1,0,0]=3 137 B14R0.337 CCCCCCCCCCOC(=O)CCl SBB060034 [0,2,0,0,0,0|1,0,0]=3 138 B14R0.337 COC(=O)CCCCCCCCCCCl SBB072738 [0,2,0,0,0,0|0,0,0]=2 139 B14R0.344 CCCCCCCCS(=O)CCC(=O)O SBB001707 [0,2,0,0,0,0|0,0,0]=2 140 B14R0.391 CCCCCCCCOC(=O)CC(C)=O SBB060041 [0,2,0,0,0,0|1,0,1]=4 141 B14R0.394 CCCCCCCCCCCCC(=O)O SBB069518 [0,2,0,0,0,0|0,0,0]=2 142 B14R0.394 CCCCCCCCCCCOC(C)=O SBB060587 [0,2,0,0,0,0|1,0,0]=3 143 B14R0.394 CCCCCCCCSCCSC(=N)N SBB013618 [0,2,0,0,0,0|2,0,0]=4 144 B14R0.394 NCCCCCCCCCCCC(=O)O SBB058890 [0,2,0,0,0,0|0,0,0]=2 145 B14R0.394 O=C(O)CCCCCCCCCCCBr SBB061618 [0,2,0,0,0,0|0,0,0]=2 146 B14R0.394 O=C(O)CCCCCCCCCCCO SBB061512 [0,2,0,0,0,0|0,0,0]=2 147 B14R0.197 COC(=O)CCCCCCCC(=O)OC SBB060332 [0,2,0,0,0,0|1,0,1]=4 148 B14R0.393 CCCCCCCCCCN(C)CCO SBB061606 [0,2,0,0,0,0|2,0,0]=4 149 B14R0.393 CCCCCCCCCCS(=O)CCO SBB001718 [0,2,0,0,0,0|1,0,0]=3 150 B14R0.393 CCCCCCCCCNC(=O)CC#N SBB049492 [0,2,0,0,0,0|2,0,0]=4 151 B14R0.2056 CCCCCCCCCCS(=O)(=O)NN SBB060298 [0,2,0,0,0,0|1,0,1]=4 152 B12R1.8 OCCCCNC1CCCCC1 SBB000173 [1,0,0,1,0,0|1,0,1]=4 153 B12R1.550 C1=CCCCCCCCCCC1 SBB059893 [1,0,0,1,0,0|1,0,0]=3 154 B12R1.550 C1CCCCCCCCCCC1 SBB060910 [1,0,0,1,0,0|1,0,1]=4 155 B12R1.75 CCC1CCCCN1CC(=O)O SBB111674 [1,0,0,1,0,0|1,0,0]=3 156 B12R1.125 CC1CCCCN1CCC(=O)O SBB010526 [1,0,0,1,0,0|1,0,0]=3 157 B12R1.125 O=C(O)CCC1CCCCC1=O SBB010511 [1,0,0,1,0,0|1,0,1]=4 158 B12R1.252 NC(=O)CCNC1CCCCC1 SBB080387 [1,0,0,1,0,0|2,0,0]=4 159 B12R1.252 O=C(O)CCCC1CCCCN1 SBB014750 [1,0,0,1,0,0|1,0,0]=3 160 B12R1.252 O=C(O)CCCC1CCNCC1 SBB003471 [1,0,0,1,0,0|1,0,0]=3 161 B12R1.252 O=C(O)CCCC1CCNCC1 SBB014751 [1,0,0,1,0,0|1,0,0]=3 162 B12R1.252 O=C(O)CCCN1CCOCC1 SBB077225 [1,0,0,1,0,0|2,0,0]=4 163 B12R1.252 O=C([O-])CCCC1CCCCC1 SBB008626 [1,0,0,1,0,0|0,0,1]=3 164 B12R1.255 OC(=O)CCCCC1CCSS1 SBB003484 [1,0,0,1,0,0|2,0,0]=4 165 B12R1.1343 O=C(O)CCN1CCCCCC1 SBB010525 [1,0,0,1,0,0|1,0,0]=3 166 B12R1.1343 O=C(O)CNC1CCCCCC1 SBB046505 [1,0,0,1,0,0|1,0,0]=3 167 B14R1.26 CCCCCCCC1CCCC(=O)O1 SBB071496 [0,1,0,1,0,0|0,0,0]=2 168 B14R1.4408 O=C1CCCCCCCCCCCN1 SBB080680 [0,1,0,1,0,0|1,0,0]=3 169 B14R1.4728 CCCCCCCCC1CC1C(=O)O SBB001548 [0,1,0,1,0,0|0,0,0]=2 170 B14R1.6414 O=C(O)C1CCCCCCCCCC1 SBB069116 [0,1,0,1,0,0|0,0,0]=2 171 B14R1.423 O=C(O)CCC(=O)NC1CCCCC1 SBB000385 [0,1,0,1,0,0|1,0,1]=4 172 B14R1.10371 O=C(O)CCC(=O)N1CCCCCC1 SBB080033 [0,1,0,1,0,0|1,0,1]=4 173 B14R1.13252 NC1CSC(CCCCC(=O)O)C1N SBB012881 [0,1,0,1,0,0|2,0,0]=4 174 B14R1.3331 O=S(=O)(O)CCCNC1CCCCC1 SBB057228 [0,1,0,1,0,0|2,0,0]=4 175 B14R2.2841 C1CCCCCC2OC2CCCC1 SBB060647 [0,0,0,2,0,0|1,0,1]=4 176 B14R2.780 O=C(O)C1CCN1C2CCCCC2 SBB010154 [0,0,0,2,0,0|1,0,0]=3