0 B10R0.4 CC(=CCCCCCCBr)C S793051 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.4 CC(C)CCCCCCCO PH008704 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.4 CCCCCCC#CC(=O)O S354023 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.4 CCCCCCCCC(=N)N PH012190 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.4 CCCCCCCCC(=O)N S595268 [0,0,0,0,0,0|2,0,0]=2 6 B10R0.4 CCCCCCCCC(C)N T151068 [0,0,0,0,0,0|2,0,1]=3 7 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [0,0,0,0,0,0|3,0,0]=3 8 B10R0.4 CCCCCCCNC(=O)C R704377 [0,0,0,0,0,0|1,0,0]=1 9 B10R0.4 CCCCCCCNC(=O)N S516643 [0,0,0,0,0,0|2,0,0]=2 10 B10R0.4 COCCOCCOC(=O)C S705659 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [1,0,0,0,0,0|1,0,2]=4 12 B9R0.2 CCCCCCCC(C)Br S438758 [1,0,0,0,0,0|1,0,1]=3 13 B9R0.2 CCCNOCCC(=O)C S581321 [1,0,0,0,0,0|2,0,0]=3 14 B9R0.2 COCCCCCC(=O)O CBR00492 [1,0,0,0,0,0|2,0,0]=3 15 B9R0.45 CCCCCCCCNC CDS003222 [1,0,0,0,0,0|2,0,0]=3 16 B9R0.45 CCCCCCCCON PH014161 [1,0,0,0,0,0|3,0,0]=4 17 B9R0.45 CCCCCCCC[Hg]Cl S572551 [1,0,0,0,0,0|3,0,0]=4 18 B9R0.45 CCCCCCCN=C=S PH011071 [1,0,0,0,0,0|1,1,1]=4 19 B9R0.45 CCCCCNCCCC OTV000733 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.45 CCSCCCCSCC S347833 [1,0,0,0,0,0|1,1,1]=4 21 B9R0.45 CSCCCCCCSC S347825 [1,0,0,0,0,0|3,0,0]=4 22 B9R0.45 N#CCCCCCCC=O PH008272 [1,0,0,0,0,0|2,0,1]=4 23 B11R0.2 CCCCCCC(C)CC(=O)O CDS011550 [0,1,0,0,0,0|2,0,0]=3 24 B11R0.30 CC(=O)NCCCCCC(=O)O PH010928 [0,1,0,0,0,0|2,0,1]=4 25 B11R0.40 C=CS(=O)CCCCCCCC R395390 [0,1,0,0,0,0|2,0,1]=4 26 B11R0.40 CCCCCCCCC([NH3+])CO L498629 [0,1,0,0,0,0|2,0,1]=4 27 B11R0.42 CCCCCC/C=C(/C)\C(=O)O S489905 [0,1,0,0,0,0|2,0,1]=4 28 B11R0.42 CCCCCCCC(=O)C(C)C S561193 [0,1,0,0,0,0|2,0,1]=4 29 B11R0.42 CCCCCCCC(Br)C(=O)O PH002927 [0,1,0,0,0,0|2,0,0]=3 30 B11R0.42 CCCCCCCC(C)C(=O)O S874582 [0,1,0,0,0,0|2,0,0]=3 31 B11R0.46 CCCCCC(=O)CCC(=O)O T330051 [0,1,0,0,0,0|2,0,1]=4 32 B11R0.148 C(=C/CCOC(=O)C)\CCCI T165999 [0,1,0,0,0,0|0,0,2]=3 33 B11R0.148 C(=O)CCCCCCOC(=O)C T168823 [0,1,0,0,0,0|0,0,1]=2 34 B11R0.148 CCCCCC#CCCC(=O)C S884901 [0,1,0,0,0,0|1,0,1]=3 35 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [0,1,0,0,0,0|2,0,1]=4 36 B11R0.148 CCCCCCCCC=C(C)C T293466 [0,1,0,0,0,0|2,0,0]=3 37 B11R0.148 CCCCCCCCCC(=N)N PH012191 [0,1,0,0,0,0|3,0,0]=4 38 B11R0.148 CCCCCCCCCC(=O)N S549878 [0,1,0,0,0,0|2,0,0]=3 39 B11R0.148 CCCCCCCCCC(C)Br S452572 [0,1,0,0,0,0|2,0,1]=4 40 B11R0.148 CCCCCCCCCC(C)N S540293 [0,1,0,0,0,0|2,0,1]=4 41 B11R0.148 CCCCCCCCSC(=N)N S385239 [0,1,0,0,0,0|2,1,0]=4 42 B11R0.148 CCCCOCCOCC(=O)O CDS000206 [0,1,0,0,0,0|2,0,0]=3 43 B11R0.148 O=C(O)CCCCCCCCBr T333328 [0,1,0,0,0,0|2,0,0]=3 44 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [0,1,0,0,0,0|2,0,0]=3 45 B11R0.159 CCCCCCCCS(=O)(=O)N PH010261 [0,1,0,0,0,0|3,0,0]=4 46 B11R0.159 CCCCCCCNS(=O)(=O)C T170321 [0,1,0,0,0,0|2,0,0]=3 47 B11R0.176 CCCC(=O)OCCCC(=O)C R396044 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.24 NCCCN1CCNC(=O)C1 CBR02386 [0,0,0,1,0,0|3,0,0]=4 49 B11R1.86 CC(=O)CN1CCCCC1C R433667 [0,0,0,1,0,0|2,0,0]=3 50 B11R1.86 CC(C)OC1CCCCC1O S672734 [0,0,0,1,0,0|2,0,1]=4 51 B11R1.86 CC1CCCCC1CC(=O)O L127892 [0,0,0,1,0,0|2,0,0]=3 52 B11R1.86 CC\1CCCC/C1=C\C(=O)O L128546 [0,0,0,1,0,0|2,0,1]=4 53 B11R1.91 C=C(C)CNC1CCCCC1 PH012104 [0,0,0,1,0,0|3,0,0]=4 54 B11R1.91 CC(=O)CCN1CCCCC1 S429961 [0,0,0,1,0,0|2,0,0]=3 55 B11R1.91 CC(=O)NCC1CCCNC1 CBR01926 [0,0,0,1,0,0|2,0,0]=3 56 B11R1.91 CC(=O)NCC1CCNCC1 CBR01056 [0,0,0,1,0,0|2,0,0]=3 57 B11R1.91 CC(=O)OCC1CCCCO1 S364959 [0,0,0,1,0,0|1,0,0]=2 58 B11R1.91 NC(=O)CCC1CCCCC1 EME00450 [0,0,0,1,0,0|2,0,0]=3 59 B11R1.91 NC(=O)CCC1CCCNC1 CBR00857 [0,0,0,1,0,0|3,0,0]=4 60 B11R1.91 NC(=O)CCC1CCNCC1 CBR02356 [0,0,0,1,0,0|3,0,0]=4 61 B11R1.91 NC(=O)NCC1CCCCC1 S517046 [0,0,0,1,0,0|2,0,0]=3 62 B11R1.91 O=C(O)CNC1CCCCC1 PH010418 [0,0,0,1,0,0|3,0,0]=4 63 B11R1.101 O=C1C=CCCCCCCC1 T231835 [0,0,0,1,0,0|1,0,1]=3 64 B11R1.101 O=C1CCC=CCCCCC1 S939781 [0,0,0,1,0,0|1,0,2]=4 65 B11R1.101 O=C1CCCCCCCCN1 S929964 [0,0,0,1,0,0|1,0,0]=2 66 B11R1.143 CN1CCCCCC1C(=O)O CBR00944 [0,0,0,1,0,0|3,0,0]=4 67 B11R1.543 CC1(CCCCCCCC1)O T211540 [0,0,0,1,0,0|1,0,2]=4 68 B11R1.706 CC(=C1CCCCCCC1)C T187453 [0,0,0,1,0,0|2,0,0]=3 69 B11R1.742 CC(=O)OC1CCC=CCC1 T166618 [0,0,0,1,0,0|0,0,2]=3 70 B11R1.742 NC(=O)NC1CCCCCC1 S344907 [0,0,0,1,0,0|2,0,0]=3 71 B11R1.742 O=C(O)CN1CCCCCC1 CBR00324 [0,0,0,1,0,0|3,0,0]=4 72 B8R0.4 C(=C/CCCCCO)\C T264652 [2,0,0,0,0,0|1,0,1]=4 73 B8R0.4 CCCCCCCSC S570729 [2,0,0,0,0,0|0,1,0]=3 74 B8R0.4 CCCCCCC[Hg]Cl S572500 [2,0,0,0,0,0|2,0,0]=4 75 B8R0.4 CCCCNCCCC S367869 [2,0,0,0,0,0|1,0,1]=4 76 B8R0.4 CCCCNCCCC S503894 [2,0,0,0,0,0|1,0,1]=4 77 B8R0.4 CCCCNCCCC S566152 [2,0,0,0,0,0|1,0,1]=4 78 B8R0.4 COCCCNCCO OTV000453 [2,0,0,0,0,0|2,0,0]=4 79 B8R0.4 CSCCCCCCO S931667 [2,0,0,0,0,0|1,1,0]=4 80 B8R0.4 CSCCCCCSC S375896 [2,0,0,0,0,0|1,1,0]=4 81 B8R0.4 [NH2+](CCCC)CCCC S348880 [2,0,0,0,0,0|1,0,1]=4 82 B8R0.7 CC(=O)NCCCCN CDS021099 [2,0,0,0,0,0|2,0,0]=4 83 B8R0.7 CCCCCCC(C)C S430935 [2,0,0,0,0,0|1,0,1]=4 84 B8R0.7 CCCCCCC(C)Cl S564516 [2,0,0,0,0,0|1,0,1]=4 85 B8R0.7 CCCCCOC(=O)Cl CDS000346 [2,0,0,0,0,0|1,0,0]=3 86 B8R0.7 CCCCOCC(=O)O CDS008145 [2,0,0,0,0,0|2,0,0]=4 87 B8R0.7 CCCC[Hg]OC(=O)C S814512 [2,0,0,0,0,0|1,0,0]=3 88 B8R0.7 CCCNCCC(=O)O OTV000481 [2,0,0,0,0,0|2,0,0]=4 89 B8R0.7 CCSCCCC(=O)O PH008798 [2,0,0,0,0,0|2,0,0]=4 90 B8R0.7 NC(=O)CCCCCBr CDS003086 [2,0,0,0,0,0|2,0,0]=4 91 B8R0.7 NCCCCCC(=O)N CDS015235 [2,0,0,0,0,0|2,0,0]=4 92 B10R0.6 CCCCCC(O)CC(C)C S417432 [1,1,0,0,0,0|1,0,1]=4 93 B10R0.6 CCCCNC(=O)CC(=O)C R466115 [1,1,0,0,0,0|1,0,1]=4 94 B10R0.6 CCCOCC(C)OC(=O)C S84450 [1,1,0,0,0,0|1,0,0]=3 95 B10R0.22 CCCCCCOS(=O)(=O)[O-] S617164 [1,1,0,0,0,0|2,0,0]=4 96 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [1,1,0,0,0,0|0,0,0]=2 97 B10R0.74 CCCCCC#CC(=O)CC S128325 [1,1,0,0,0,0|0,0,2]=4 98 B10R0.74 CCCCCCCC(=O)CC S544043 [1,1,0,0,0,0|0,0,0]=2 99 B10R0.74 CCCCCCCC(=O)NO CDS000528 [1,1,0,0,0,0|1,0,0]=3 100 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [1,1,0,0,0,0|1,0,0]=3 101 B10R0.74 CCCCCCCC(O)CC CDS001495 [1,1,0,0,0,0|0,0,2]=4 102 B10R0.74 CCCCCCNC(=O)NC S892793 [1,1,0,0,0,0|1,0,0]=3 103 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [1,1,0,0,0,0|0,0,0]=2 104 B10R0.74 CCCCCCOC(=S)S[K] S394122 [1,1,0,0,0,0|1,1,0]=4 105 B10R0.75 CCCCCCC(C)N(C)C S336998 [1,1,0,0,0,0|2,0,0]=4 106 B10R0.75 CCCCCCC(O)C(C)C S417424 [1,1,0,0,0,0|1,0,1]=4 107 B10R0.75 NCCCCCC(N)C(=O)O PH008399 [1,1,0,0,0,0|2,0,0]=4 108 B10R0.78 C=C(C)CCC(O)COCC S312150 [1,1,0,0,0,0|2,0,0]=4 109 B10R0.1 CCCCCC[C@@H](C)N=C=O CDS001056 [1,1,0,0,0,0|1,0,1]=4 110 B10R0.71 CCCCCCCCCCF S570354 [1,1,0,0,0,0|1,0,1]=4 111 B10R0.71 CCCCCCCCSCC S570656 [1,1,0,0,0,0|0,1,1]=4 112 B10R0.71 CCCCCCCSCCO S362220 [1,1,0,0,0,0|0,1,1]=4 113 B10R0.71 CCCCCCNCCCC OTV000454 [1,1,0,0,0,0|1,0,1]=4 114 B10R0.71 CCCCCNCCCCC S503770 [1,1,0,0,0,0|1,0,1]=4 115 B10R0.71 CCOCCNCCOCC CDS000629 [1,1,0,0,0,0|1,0,1]=4 116 B10R0.71 COCCCCCCCCN PH012543 [1,1,0,0,0,0|2,0,0]=4 117 B12R0.2 CCCC[C@@H](C)C[C@H](N)CC(=O)O PH001836 [0,2,0,0,0,0|2,0,0]=4 118 B12R0.4 CCCCCCCC(=O)OC(C)C CDS000544 [0,2,0,0,0,0|1,0,1]=4 119 B12R0.113 CCCCCCC(C)OC(=S)SC S864986 [0,2,0,0,0,0|0,1,0]=3 120 B12R0.137 CC(C)(C)NCCCCOC(=O)N PH013047 [0,2,0,0,0,0|2,0,0]=4 121 B12R0.184 CC(C)CCCCCOC(=O)CS S559040 [0,2,0,0,0,0|0,0,0]=2 122 B12R0.184 COC(=O)NCCCCNC(C)C PH013070 [0,2,0,0,0,0|2,0,0]=4 123 B12R0.1 CCCCOCCOC(=O)CCC PH008717 [0,2,0,0,0,0|1,0,0]=3 124 B12R0.183 CCC(=O)CCCCCC(=O)CC S872482 [0,2,0,0,0,0|1,0,1]=4 125 B12R0.248 C=CC(=O)OCCCCCCCC CDS004485 [0,2,0,0,0,0|0,0,1]=3 126 B12R0.248 CCCCCC#CCCC(=O)OC S884480 [0,2,0,0,0,0|1,0,1]=4 127 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [0,2,0,0,0,0|1,0,0]=3 128 B12R0.248 CCCCCCCCCC(=O)NN S550280 [0,2,0,0,0,0|2,0,0]=4 129 B12R0.248 CCCCCCCCNC(=O)CCl S376833 [0,2,0,0,0,0|1,0,0]=3 130 B12R0.248 CCCCCCCCOC(=O)CCl S530727 [0,2,0,0,0,0|0,0,0]=2 131 B12R0.248 COC(=O)CCCCCCCCI T266353 [0,2,0,0,0,0|1,0,0]=3 132 B12R0.251 CCCCCCCCC(=O)C(C)C S866784 [0,2,0,0,0,0|1,0,0]=3 133 B12R0.35 CCN(CC)OCCCOC(=O)C T160830 [0,2,0,0,0,0|2,0,0]=4 134 B12R0.234 C=CCCCCCCCCC(=O)[O-] CDS003850 [0,2,0,0,0,0|2,0,0]=4 135 B12R0.234 CC(=O)NCCCCCCCCN S233641 [0,2,0,0,0,0|1,0,0]=3 136 B12R0.234 CCCCCCCCCOC(=O)C S364258 [0,2,0,0,0,0|0,0,0]=2 137 B12R0.234 CCCCCCCCNCC(=O)N PH010602 [0,2,0,0,0,0|2,0,0]=4 138 B12R0.234 CCCCCCCCOCC(=O)O PH010016 [0,2,0,0,0,0|1,0,0]=3 139 B12R0.234 N#CCCCCCCCCC(=O)O S367591 [0,2,0,0,0,0|2,0,0]=4 140 B12R0.268 CC(O)CCCCCCCC(=O)O S888087 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [1,0,0,1,0,0|1,0,0]=3 142 B10R1.16 C=CCCC1CCC(=O)C1 T221252 [1,0,0,1,0,0|0,0,2]=4 143 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [1,0,0,1,0,0|0,0,0]=2 144 B10R1.18 CC(=O)CN1CCCCC1 R433675 [1,0,0,1,0,0|1,0,0]=3 145 B10R1.18 CC(=O)CN1CCOCC1 CDS006278 [1,0,0,1,0,0|2,0,0]=4 146 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [1,0,0,1,0,0|1,0,0]=3 147 B10R1.18 CC(=O)NC1CCNCC1 CDS000127 [1,0,0,1,0,0|2,0,0]=4 148 B10R1.18 CC(C)CC1CCCCC1 S564869 [1,0,0,1,0,0|1,0,1]=4 149 B10R1.18 NC(=O)CC1CCCCN1 CDS022187 [1,0,0,1,0,0|2,0,0]=4 150 B10R1.18 NC(=O)CN1CCCCC1 OTV000055 [1,0,0,1,0,0|2,0,0]=4 151 B10R1.18 NC(=O)NC1CCCCC1 S375047 [1,0,0,1,0,0|2,0,0]=4 152 B10R1.18 O=C(O)CC1CCCCN1 R409952 [1,0,0,1,0,0|2,0,0]=4 153 B10R1.18 O=C(O)CC1CCCNC1 PH010234 [1,0,0,1,0,0|2,0,0]=4 154 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [1,0,0,1,0,0|2,0,0]=4 155 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [1,0,0,1,0,0|2,0,0]=4 156 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [1,0,0,1,0,0|2,0,0]=4 157 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [1,0,0,1,0,0|2,0,0]=4 158 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [1,0,0,1,0,0|2,0,0]=4 159 B10R1.18 O=C(O)CN1CCCCC1 L481130 [1,0,0,1,0,0|2,0,0]=4 160 B10R1.39 CCN1CCC[C@H]1C(=O)O CBR01772 [1,0,0,1,0,0|2,0,0]=4 161 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [1,0,0,1,0,0|1,0,0]=3 162 B10R1.61 CC1CNCCC1C(=O)O CDS008293 [1,0,0,1,0,0|2,0,0]=4 163 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N BBO000407 [1,0,0,1,0,0|2,0,0]=4 164 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [1,0,0,1,0,0|2,0,0]=4 165 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [1,0,0,1,0,0|2,0,0]=4 166 B10R1.64 CC(=O)CC1CCCC1=O L166758 [1,0,0,1,0,0|1,0,1]=4 167 B10R1.64 CN1CCCC1CC(=O)O PH018759 [1,0,0,1,0,0|2,0,0]=4 168 B10R1.64 CN1CCC[C@H]1CC(=O)O PH018830 [1,0,0,1,0,0|2,0,0]=4 169 B10R1.66 O=C(O)CCN1CCCC1 CDS002325 [1,0,0,1,0,0|2,0,0]=4 170 B10R1.78 CC1CCCCCCCC1 T187364 [1,0,0,1,0,0|1,0,1]=4 171 B10R1.78 O=C1C=CCCCCCC1 L169854 [1,0,0,1,0,0|0,0,2]=4 172 B10R1.348 O=[N+]([O-])C1CCCCCC1 S919098 [1,0,0,1,0,0|2,0,0]=4 173 B10R1.4 NCCN1CCCOC1=O CBR00826 [1,0,0,1,0,0|2,0,0]=4 174 B10R1.7 CC1CCCCCCC1=O S53075 [1,0,0,1,0,0|1,0,0]=3 175 B10R1.17 CCCCN1CCOCC1 S551961 [1,0,0,1,0,0|1,0,1]=4 176 B10R1.17 O=CCCC1CCCCC1 CDS019184 [1,0,0,1,0,0|1,0,0]=3 177 B10R1.29 CCCCN1CCCC1=O S434221 [1,0,0,1,0,0|2,0,0]=4 178 B10R1.85 CCNC1CCCCCC1 CBR00395 [1,0,0,1,0,0|1,0,1]=4 179 B10R1.185 C1=CCCCCCCCC1 S462977 [1,0,0,1,0,0|1,0,0]=3 180 B12R1.7 C(=C\CCC1CCC(=O)C1)\CC T279757 [0,1,0,1,0,0|1,0,1]=4 181 B12R1.212 N[C@H]1CCCCCC[C@H]1C(=O)O BBO000396 [0,1,0,1,0,0|2,0,0]=4 182 B12R1.1392 CC(=O)OC1=CCCCCCC1 S39196 [0,1,0,1,0,0|0,0,1]=3 183 B12R1.1392 CC(=O)OC1C=CCCCCC1 T172537 [0,1,0,1,0,0|0,0,1]=3 184 B12R1.1392 CC(=O)OC1CCCCCCC1 S345067 [0,1,0,1,0,0|0,0,0]=2 185 B12R1.1392 CC(=O)OC1CCCCCOC1 T165980 [0,1,0,1,0,0|0,0,0]=2 186 B12R1.1392 CC(=O)OC1CCCCOCC1 T177261 [0,1,0,1,0,0|0,0,0]=2 187 B12R1.1392 NC(=O)NC1CCCCCCC1 S345083 [0,1,0,1,0,0|2,0,0]=4 188 B12R1.1392 O=C(O)CN1CCCCCCC1 T318949 [0,1,0,1,0,0|2,0,0]=4 189 B12R1.206 O=C1CCC(=O)OCCCCO1 S765023 [0,1,0,1,0,0|1,0,1]=4 190 B12R1.392 CC(=O)OC1COCC1N(C)C PH008076 [0,1,0,1,0,0|2,0,0]=4 191 B12R1.27 COC(=O)CCN1CCCCC1 PH006882 [0,1,0,1,0,0|2,0,0]=4 192 B12R1.27 O=C(CCl)NCC1CCCCC1 CBR00098 [0,1,0,1,0,0|1,0,0]=3 193 B12R1.150 O=C1CCCCCCCCC1=O T209074 [0,1,0,1,0,0|1,0,0]=3 194 B12R1.150 O=C1CCCCCCCCC1O S116742 [0,1,0,1,0,0|1,0,0]=3 195 B12R1.371 CCC(=O)NC1CCCCC1Cl R787426 [0,1,0,1,0,0|2,0,0]=4 196 B12R1.371 CSC(=O)NC1CCCCC1Cl R788481 [0,1,0,1,0,0|2,0,0]=4 197 B12R1.371 CSC(=O)NC1CCCC[C@@H]1Cl L498491 [0,1,0,1,0,0|2,0,0]=4 198 B12R1.407 CCC1C=CCCCCC(=O)C1 T211451 [0,1,0,1,0,0|1,0,1]=4 199 B12R1.477 COC(=O)NCCC1CCCC1 T175315 [0,1,0,1,0,0|1,0,0]=3 200 B12R1.43 O=C(O)C(Br)CC1CCCCC1 PH016309 [0,1,0,1,0,0|2,0,0]=4 201 B12R1.482 C=C1CC1CC(O)CCCCC R240346 [0,1,0,1,0,0|2,0,0]=4 202 B12R1.1343 O=C(O)CCN1CCCCCC1 T318035 [0,1,0,1,0,0|2,0,0]=4 203 B12R1.21 NC1CCC(CC1)CCC(=O)O CDS021645 [0,1,0,1,0,0|2,0,0]=4 204 B12R1.125 CC(=O)OCC1CC=CCC1C S375284 [0,1,0,1,0,0|0,0,1]=3 205 B12R1.125 CN1CCCCC1CCC(=O)O CBR01004 [0,1,0,1,0,0|2,0,0]=4 206 B12R1.127 CC(=O)NC1CC(CCC1C)Cl S765635 [0,1,0,1,0,0|1,0,0]=3 207 B12R1.252 CC(=O)CCC=C1CCCCC1 T326119 [0,1,0,1,0,0|1,0,1]=4 208 B12R1.252 CC(=O)NCCC1CCCCN1 CBR01178 [0,1,0,1,0,0|1,0,0]=3 209 B12R1.252 CC(=O)OCCC1CCCCO1 T177571 [0,1,0,1,0,0|0,0,0]=2 210 B12R1.252 NC(=O)CCCC1CCCCC1 L159417 [0,1,0,1,0,0|2,0,0]=4 211 B12R1.252 O=C(O)CCCC1CCCCC1 S462837 [0,1,0,1,0,0|2,0,0]=4 212 B12R1.252 O=C(O)CCCN1CCCCC1 PH017094 [0,1,0,1,0,0|2,0,0]=4 213 B12R1.252 O=C(O)CCNC1CCCCC1 S373834 [0,1,0,1,0,0|2,0,0]=4 214 B12R1.252 O=C(O)COCC1CCCCO1 CBR01455 [0,1,0,1,0,0|2,0,0]=4 215 B12R1.252 O=C([O-])CCCC1CCCCC1 S462209 [0,1,0,1,0,0|2,0,0]=4 216 B12R1.75 COC1CCCCC1OC(=O)C S677361 [0,1,0,1,0,0|0,0,0]=2 217 B12R1.130 CC(=O)OCCN1CCCC1=O PH007489 [0,1,0,1,0,0|1,0,1]=4 218 B12R1.891 CS(=O)(=O)OCC1CCCCC1 T220728 [0,1,0,1,0,0|1,0,0]=3 219 B12R1.891 CS(=O)(=O)OCC1CCOCC1 SYX00044 [0,1,0,1,0,0|2,0,0]=4 220 B12R1.2230 CS(=O)(=O)N1CCCCCCC1 T170291 [0,1,0,1,0,0|2,0,0]=4 221 B12R2.24 C12CCCCC1NC(=O)CC2 S782548 [0,0,0,2,0,0|1,0,0]=3 222 B12R2.24 O=C1CN2CCCCC2CN1 T162582 [0,0,0,2,0,0|2,0,0]=4 223 B12R2.2918 O=C1CC2(CCNCC2)CN1 CDS023378 [0,0,0,2,0,0|2,0,0]=4 224 B12R2.2918 O=C1CCC2(N1)CCCCC2 PH008917 [0,0,0,2,0,0|2,0,0]=4 225 B12R2.2918 O=C1CCC2(O1)CCCCC2 T223042 [0,0,0,2,0,0|2,0,0]=4 226 B12R2.1392 O=C(O)C1CC2CCC1CC2 S928674 [0,0,0,2,0,0|2,0,0]=4 227 B12R2.2028 CC1CC(=O)C2=C1CCCC2 T202851 [0,0,0,2,0,0|1,0,1]=4 228 B12R2.114 [C@H]12CCCC(=O)N[C@H]1CCC2 T167304 [0,0,0,2,0,0|1,0,0]=3 229 B12R2.1661 CC(=O)OC1CC2CCC1C2 S957747 [0,0,0,2,0,0|0,0,0]=2 230 B12R2.1661 [C@H]12CC[C@H](C1)CC2SC(=O)C S431249 [0,0,0,2,0,0|0,1,0]=3 231 B12R2.19 [C@@H]12CCCC[C@@]1(NC(=O)O2)C T167711 [0,0,0,2,0,0|1,0,0]=3 232 B12R2.84 C[N+]12CCCC1CNC(=O)C2 T299235 [0,0,0,2,0,0|2,0,0]=4 233 B12R2.1019 O=C1NC2CCCC1CCC2 T170720 [0,0,0,2,0,0|2,0,0]=4