0 B10R0.4 CC(=CCCCCCCBr)C S793051 [0,0,0,0,0,0|3,0,1]=4 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|0,0,2]=2 3 B10R0.4 CCCCCCC#CC(=O)O S354023 [0,0,0,0,0,0|0,0,2]=2 4 B10R0.4 CCCCCCCCC(=N)N PH012190 [0,0,0,0,0,0|2,0,0]=2 5 B10R0.4 CCCCCCCCC(=O)N S595268 [0,0,0,0,0,0|1,0,0]=1 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|1,0,1]=2 8 B10R0.4 CCCCCCCNC(=O)C R704377 [0,0,0,0,0,0|2,0,0]=2 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|4,0,0]=4 11 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [1,0,0,0,0,0|0,0,2]=3 12 B9R0.2 CCCCCCCC(C)Br S438758 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.2 CCCNOCCC(=O)C S581321 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.2 COCCCCCC(=O)O CBR00492 [1,0,0,0,0,0|1,0,0]=2 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|2,0,0]=3 17 B9R0.45 CCCCCCCC[Hg]Cl S572551 [1,0,0,0,0,0|2,0,0]=3 18 B9R0.45 CCCCCCCN=C=S PH011071 [1,0,0,0,0,0|1,1,1]=4 19 B9R0.45 CCCCCCOCC#N S240370 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.45 CCCCCCSCCO S362344 [1,0,0,0,0,0|1,0,1]=3 21 B9R0.45 CCCCCNCCC#N PH011475 [1,0,0,0,0,0|2,0,1]=4 22 B9R0.45 CCCCCNCCCC OTV000733 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.45 CCCCNCCCCO PH011467 [1,0,0,0,0,0|1,0,1]=3 24 B9R0.45 CSCCCCCCSC S347825 [1,0,0,0,0,0|3,0,0]=4 25 B9R0.45 N#CCCCCCCC=O PH008272 [1,0,0,0,0,0|1,0,1]=3 26 B11R0.2 CCCCCCC(C)CC(=O)O CDS011550 [0,1,0,0,0,0|0,0,0]=1 27 B11R0.30 CC(=O)NCCCCCC(=O)O PH010928 [0,1,0,0,0,0|1,0,1]=3 28 B11R0.30 N=C(N)NCCCCCC(=O)O S787256 [0,1,0,0,0,0|2,0,1]=4 29 B11R0.40 C=CS(=O)CCCCCCCC R395390 [0,1,0,0,0,0|2,0,0]=3 30 B11R0.40 CCCCCCCCC(O)C#N PH007041 [0,1,0,0,0,0|1,0,1]=3 31 B11R0.40 CCCCCCCCC([NH3+])CO L498629 [0,1,0,0,0,0|1,0,1]=3 32 B11R0.42 CCCCCC/C=C(/C)\C(=O)O S489905 [0,1,0,0,0,0|0,0,2]=3 33 B11R0.42 CCCCCCCC(Br)C(=O)O PH002927 [0,1,0,0,0,0|0,0,0]=1 34 B11R0.42 CCCCCCCC(C)C(=O)O S874582 [0,1,0,0,0,0|0,0,0]=1 35 B11R0.46 CCCCCC(=O)CCC(=O)O T330051 [0,1,0,0,0,0|0,0,1]=2 36 B11R0.46 NCCCNC(=O)CCC(=O)O PH010609 [0,1,0,0,0,0|2,0,1]=4 37 B11R0.147 CCCOC(=S)SCCC(=O)O PH007126 [0,1,0,0,0,0|2,0,1]=4 38 B11R0.148 C(=O)CCCCCCOC(=O)C T168823 [0,1,0,0,0,0|2,0,1]=4 39 B11R0.148 CCCCCC#CCCC(=O)C S884901 [0,1,0,0,0,0|1,0,1]=3 40 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [0,1,0,0,0,0|0,0,1]=2 41 B11R0.148 CCCCCCCCC=C(C)C T293466 [0,1,0,0,0,0|2,0,0]=3 42 B11R0.148 CCCCCCCCCC(=N)N PH012191 [0,1,0,0,0,0|2,0,0]=3 43 B11R0.148 CCCCCCCCCC(=O)N S549878 [0,1,0,0,0,0|1,0,0]=2 44 B11R0.148 CCCCCCCCCC(C)Br S452572 [0,1,0,0,0,0|2,0,1]=4 45 B11R0.148 CCCCCCCCCC(C)N S540293 [0,1,0,0,0,0|2,0,1]=4 46 B11R0.148 CCCCCCCCSC(=N)N S385239 [0,1,0,0,0,0|2,0,0]=3 47 B11R0.148 CCCCOCCOCC(=O)O CDS000206 [0,1,0,0,0,0|1,0,0]=2 48 B11R0.148 O=C(O)CCCCCCCCBr T333328 [0,1,0,0,0,0|0,0,0]=1 49 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [0,1,0,0,0,0|0,0,0]=1 50 B11R0.159 CCCCCCCCS(=O)(=O)N PH010261 [0,1,0,0,0,0|1,0,1]=3 51 B11R0.159 CCCCCCCNS(=O)(=O)C T170321 [0,1,0,0,0,0|2,0,1]=4 52 B11R0.176 CCCC(=O)OCCCC(=O)C R396044 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.27 CCCCSC1=CC(=O)CC1 T217042 [0,0,0,1,0,0|2,0,1]=4 54 B11R1.86 CC(=O)CN1CCCCC1C R433667 [0,0,0,1,0,0|2,0,0]=3 55 B11R1.86 CC(O)CN1CCCCC1C PH015080 [0,0,0,1,0,0|2,0,1]=4 56 B11R1.86 CC1CCCCC1CC(=O)O L127892 [0,0,0,1,0,0|0,0,0]=1 57 B11R1.86 CC\1CCCC/C1=C\C(=O)O L128546 [0,0,0,1,0,0|0,0,2]=3 58 B11R1.86 CN1CCCNC1CC(=O)O PH016926 [0,0,0,1,0,0|2,0,0]=3 59 B11R1.90 O=C(O)CCC1NCCC1=O R150029 [0,0,0,1,0,0|2,0,1]=4 60 B11R1.90 O=C(O)CCN1CCCC1=O CBR01629 [0,0,0,1,0,0|2,0,1]=4 61 B11R1.91 C=C(C)CNC1CCCCC1 PH012104 [0,0,0,1,0,0|3,0,0]=4 62 B11R1.91 CC(=O)CCN1CCCCC1 S429961 [0,0,0,1,0,0|2,0,0]=3 63 B11R1.91 CC(=O)NCC1CCCNC1 CBR01926 [0,0,0,1,0,0|3,0,0]=4 64 B11R1.91 CC(=O)NCC1CCNCC1 CBR01056 [0,0,0,1,0,0|3,0,0]=4 65 B11R1.91 CC(=O)OCC1CCCCO1 S364959 [0,0,0,1,0,0|3,0,0]=4 66 B11R1.91 CC(O)CNC1CCCCC1 PH010876 [0,0,0,1,0,0|2,0,1]=4 67 B11R1.91 CC(O)CNC1CCCCC1 S509108 [0,0,0,1,0,0|2,0,1]=4 68 B11R1.91 NC(=O)CCC1CCCCC1 EME00450 [0,0,0,1,0,0|1,0,0]=2 69 B11R1.91 NC(=O)CCC1CCCNC1 CBR00857 [0,0,0,1,0,0|2,0,0]=3 70 B11R1.91 NC(=O)CCC1CCNCC1 CBR02356 [0,0,0,1,0,0|2,0,0]=3 71 B11R1.91 NC(=O)CCN1CCNCC1 PH015744 [0,0,0,1,0,0|3,0,0]=4 72 B11R1.91 NC(=O)COC1CCCNC1 PH019145 [0,0,0,1,0,0|3,0,0]=4 73 B11R1.91 NC(=O)NCC1CCCCC1 S517046 [0,0,0,1,0,0|2,0,0]=3 74 B11R1.91 O=C(O)CCN1CCCCO1 CBR02338 [0,0,0,1,0,0|2,0,0]=3 75 B11R1.91 O=C(O)CCN1CCOCC1 L481122 [0,0,0,1,0,0|2,0,0]=3 76 B11R1.91 O=C(O)CNC1CCCCC1 PH010418 [0,0,0,1,0,0|1,0,0]=2 77 B11R1.91 O=C([O-])CSC1CCCCO1 S722529 [0,0,0,1,0,0|2,0,1]=4 78 B11R1.101 O=C1C=CCCCCCCC1 T231835 [0,0,0,1,0,0|1,0,1]=3 79 B11R1.101 O=C1CCC=CCCCCC1 S939781 [0,0,0,1,0,0|1,0,2]=4 80 B11R1.101 O=C1CCCCCCCCN1 S929964 [0,0,0,1,0,0|1,0,0]=2 81 B11R1.143 CN1CCCCCC1C(=O)O CBR00944 [0,0,0,1,0,0|1,0,0]=2 82 B11R1.172 O=C(O)COCC1CCCN1 CBR01410 [0,0,0,1,0,0|2,0,0]=3 83 B11R1.543 CC1(CCCCCCCC1)O T211540 [0,0,0,1,0,0|1,0,1]=3 84 B11R1.706 CC(=C1CCCCCCC1)C T187453 [0,0,0,1,0,0|2,0,1]=4 85 B11R1.706 O=C(O)C1CCC=CCCC1 T179795 [0,0,0,1,0,0|0,0,2]=3 86 B11R1.742 CC(O)CN1CCCCCC1 S350524 [0,0,0,1,0,0|2,0,1]=4 87 B11R1.742 NC(=O)NC1CCCCCC1 S344907 [0,0,0,1,0,0|2,0,0]=3 88 B11R1.742 O=C(O)CN1CCCCCC1 CBR00324 [0,0,0,1,0,0|1,0,0]=2 89 B8R0.4 C#CCCCCCCO SYX00205 [2,0,0,0,0,0|0,0,2]=4 90 B8R0.4 C(=C/CCCCCO)\C T264652 [2,0,0,0,0,0|0,0,2]=4 91 B8R0.4 CC#CCCCCCO T264709 [2,0,0,0,0,0|0,0,2]=4 92 B8R0.4 CCCCCCCSC S570729 [2,0,0,0,0,0|1,0,1]=4 93 B8R0.4 CCCCCCC[Hg]Cl S572500 [2,0,0,0,0,0|2,0,0]=4 94 B8R0.4 CCCCCSCCO S357928 [2,0,0,0,0,0|1,0,0]=3 95 B8R0.4 CCCCNCCCC S367869 [2,0,0,0,0,0|1,0,1]=4 96 B8R0.4 CCCCNCCCC S503894 [2,0,0,0,0,0|1,0,1]=4 97 B8R0.4 CCCCNCCCC S566152 [2,0,0,0,0,0|1,0,1]=4 98 B8R0.4 CCNCCCCCO PH007898 [2,0,0,0,0,0|1,0,0]=3 99 B8R0.4 COCCCNCCO OTV000453 [2,0,0,0,0,0|2,0,0]=4 100 B8R0.4 CSCCCCCCO S931667 [2,0,0,0,0,0|1,0,0]=3 101 B8R0.4 OCCCNCCCO PH010217 [2,0,0,0,0,0|2,0,0]=4 102 B8R0.4 [NH2+](CCCC)CCCC S348880 [2,0,0,0,0,0|1,0,1]=4 103 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [2,0,0,0,0,0|0,0,2]=4 104 B8R0.7 CCCCCOC(=O)Cl CDS000346 [2,0,0,0,0,0|2,0,0]=4 105 B8R0.7 CCCCOCC(=O)O CDS008145 [2,0,0,0,0,0|1,0,0]=3 106 B8R0.7 CCCNCCC(=O)O OTV000481 [2,0,0,0,0,0|1,0,0]=3 107 B8R0.7 CCSCCCC(=O)O PH008798 [2,0,0,0,0,0|1,0,0]=3 108 B8R0.7 NC(=O)CCCCCBr CDS003086 [2,0,0,0,0,0|2,0,0]=4 109 B8R0.7 NCCCCCC(=O)N CDS015235 [2,0,0,0,0,0|2,0,0]=4 110 B8R0.7 NCCSCCC(=O)O PH011733 [2,0,0,0,0,0|2,0,0]=4 111 B8R0.7 O=C(O)CCNCCO S888699 [2,0,0,0,0,0|2,0,0]=4 112 B8R0.7 O=C(O)CCOCCO CDS021155 [2,0,0,0,0,0|2,0,0]=4 113 B10R0.3 CCOC(=O)CCCC(=O)O PH011452 [1,1,0,0,0,0|1,0,1]=4 114 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [1,1,0,0,0,0|1,0,0]=3 115 B10R0.74 CCCCCCCC(=O)CC S544043 [1,1,0,0,0,0|1,0,0]=3 116 B10R0.74 CCCCCCCC(=O)NO CDS000528 [1,1,0,0,0,0|0,0,0]=2 117 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [1,1,0,0,0,0|0,0,1]=3 118 B10R0.74 CCCCCCCC(O)CC CDS001495 [1,1,0,0,0,0|1,0,1]=4 119 B10R0.74 CCCCCCNC(=O)NC S892793 [1,1,0,0,0,0|2,0,0]=4 120 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [1,1,0,0,0,0|2,0,0]=4 121 B10R0.75 NCCCCCC(N)C(=O)O PH008399 [1,1,0,0,0,0|1,0,0]=3 122 B10R0.78 COCNC(N)CCC(=O)O R434884 [1,1,0,0,0,0|2,0,0]=4 123 B10R0.1 CCCCCC[C@@H](C)N=C=O CDS001056 [1,1,0,0,0,0|1,0,1]=4 124 B10R0.71 C#CCCCCCCCCC CDS001229 [1,1,0,0,0,0|1,0,1]=4 125 B10R0.71 CCCCCCCCCCF S570354 [1,1,0,0,0,0|1,0,1]=4 126 B10R0.71 CCCCCCCCN=C=S CDS013725 [1,1,0,0,0,0|0,1,1]=4 127 B10R0.71 CCCCCCCCSCC S570656 [1,1,0,0,0,0|1,0,1]=4 128 B10R0.71 CCCCCCCSCCO S362220 [1,1,0,0,0,0|0,0,1]=3 129 B10R0.71 CCCCCCNCCCC OTV000454 [1,1,0,0,0,0|1,0,1]=4 130 B10R0.71 CCCCCCOCCCN S392022 [1,1,0,0,0,0|1,0,1]=4 131 B10R0.71 CCCCCNCCCCC S503770 [1,1,0,0,0,0|1,0,1]=4 132 B10R0.71 COCCCCCCCCN PH012543 [1,1,0,0,0,0|1,0,1]=4 133 B10R0.71 ICCCCCCCCCI S764507 [1,1,0,0,0,0|1,0,1]=4 134 B10R0.71 [NH2+](CCCCl)CCCCCC R738158 [1,1,0,0,0,0|1,0,1]=4 135 B12R0.2 CCCC[C@@H](C)C[C@H](N)CC(=O)O PH001836 [0,2,0,0,0,0|0,0,0]=2 136 B12R0.42 CC(=O)NCCCCC(N)C(=O)O S783579 [0,2,0,0,0,0|1,0,1]=4 137 B12R0.42 NC(CCCCCC(=O)O)C(=O)O PH009856 [0,2,0,0,0,0|1,0,1]=4 138 B12R0.184 CC(C)CCCCCOC(=O)CS S559040 [0,2,0,0,0,0|1,1,0]=4 139 B12R0.184 COC(=O)NCCCCNC(C)C PH013070 [0,2,0,0,0,0|2,0,0]=4 140 B12R0.183 CCC(=O)CCCCCC(=O)CC S872482 [0,2,0,0,0,0|1,0,1]=4 141 B12R0.248 C=CC(=O)OCCCCCCCC CDS004485 [0,2,0,0,0,0|1,0,0]=3 142 B12R0.248 CCCCCC#CCCC(=O)OC S884480 [0,2,0,0,0,0|0,0,1]=3 143 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [0,2,0,0,0,0|1,0,0]=3 144 B12R0.248 CCCCCCCCCC(=O)NN S550280 [0,2,0,0,0,0|1,0,0]=3 145 B12R0.248 CCCCCCCCCC([NH3+])CO L498637 [0,2,0,0,0,0|1,0,1]=4 146 B12R0.248 CCCCCCCCNC(=O)CCl S376833 [0,2,0,0,0,0|1,0,0]=3 147 B12R0.248 CCCCCCCCOC(=O)CCl S530727 [0,2,0,0,0,0|1,0,0]=3 148 B12R0.248 COC(=O)CCCCCCCCI T266353 [0,2,0,0,0,0|0,0,0]=2 149 B12R0.248 OCCCCCCCCC(O)CO CDS000271 [0,2,0,0,0,0|0,0,2]=4 150 B12R0.251 CCCCCCCCC(=O)C(C)C S866784 [0,2,0,0,0,0|1,0,0]=3 151 B12R0.312 C=CS(=O)(=O)CCCCCCCC R395404 [0,2,0,0,0,0|1,0,1]=4 152 B12R0.234 C=CCCCCCCCCC(=O)[O-] CDS003850 [0,2,0,0,0,0|0,0,1]=3 153 B12R0.234 CC(=O)NCCCCCCCCN S233641 [0,2,0,0,0,0|1,0,0]=3 154 B12R0.234 CCCCCCCCCCC(=N)N PH012196 [0,2,0,0,0,0|2,0,0]=4 155 B12R0.234 CCCCCCCCCNC(=S)N PH008429 [0,2,0,0,0,0|1,1,0]=4 156 B12R0.234 CCCCCCCCCOC(=O)C S364258 [0,2,0,0,0,0|1,0,0]=3 157 B12R0.234 CCCCCCCCCSC(=N)N PH011951 [0,2,0,0,0,0|2,0,0]=4 158 B12R0.234 CCCCCCCCNCC(=O)N PH010602 [0,2,0,0,0,0|1,0,0]=3 159 B12R0.234 CCCCCCCCOCC(=O)O PH010016 [0,2,0,0,0,0|0,0,0]=2 160 B12R0.234 N#CCCCCCCCCC(=O)O S367591 [0,2,0,0,0,0|0,0,0]=2 161 B12R0.268 CC(O)CCCCCCCC(=O)O S888087 [0,2,0,0,0,0|0,0,0]=2 162 B12R0.268 O=C(O)CCCOCCCC(=O)O T279013 [0,2,0,0,0,0|1,0,1]=4 163 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [1,0,0,1,0,0|0,0,0]=2 164 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [1,0,0,1,0,0|1,0,0]=3 165 B10R1.18 CC(=O)CN1CCCCC1 R433675 [1,0,0,1,0,0|2,0,0]=4 166 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [1,0,0,1,0,0|2,0,0]=4 167 B10R1.18 NC(=O)CC1CCCCN1 CDS022187 [1,0,0,1,0,0|2,0,0]=4 168 B10R1.18 NC(=O)CN1CCCCC1 OTV000055 [1,0,0,1,0,0|2,0,0]=4 169 B10R1.18 NC(=O)NC1CCCCC1 S375047 [1,0,0,1,0,0|2,0,0]=4 170 B10R1.18 O=C(O)CC1CCCCN1 R409952 [1,0,0,1,0,0|1,0,0]=3 171 B10R1.18 O=C(O)CC1CCCNC1 PH010234 [1,0,0,1,0,0|1,0,0]=3 172 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [1,0,0,1,0,0|1,0,0]=3 173 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [1,0,0,1,0,0|1,0,0]=3 174 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [1,0,0,1,0,0|1,0,0]=3 175 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [1,0,0,1,0,0|1,0,0]=3 176 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [1,0,0,1,0,0|1,0,0]=3 177 B10R1.18 O=C(O)CN1CCCCC1 L481130 [1,0,0,1,0,0|1,0,0]=3 178 B10R1.18 O=C(O)CN1CCOCC1 ANV00112 [1,0,0,1,0,0|2,0,0]=4 179 B10R1.18 O=C(O)CN1CCOCC1 CDS007579 [1,0,0,1,0,0|2,0,0]=4 180 B10R1.18 OB(O)CC1CCCCC1 CDS004056 [1,0,0,1,0,0|1,0,1]=4 181 B10R1.39 CCN1CCC[C@H]1C(=O)O CBR01772 [1,0,0,1,0,0|1,0,0]=3 182 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [1,0,0,1,0,0|2,0,0]=4 183 B10R1.61 CC1C=CCCC1C(=O)O PH008388 [1,0,0,1,0,0|0,0,2]=4 184 B10R1.61 CC1CNCCC1C(=O)O CDS008293 [1,0,0,1,0,0|1,0,0]=3 185 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N BBO000407 [1,0,0,1,0,0|2,0,0]=4 186 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [1,0,0,1,0,0|1,0,0]=3 187 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [1,0,0,1,0,0|1,0,1]=4 188 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [1,0,0,1,0,0|1,0,0]=3 189 B10R1.64 CN1CCCC1CC(=O)O PH018759 [1,0,0,1,0,0|1,0,0]=3 190 B10R1.64 CN1CCC[C@H]1CC(=O)O PH018830 [1,0,0,1,0,0|1,0,0]=3 191 B10R1.66 O=C(O)CCN1CCCC1 CDS002325 [1,0,0,1,0,0|1,0,0]=3 192 B10R1.66 O=C(O)CCN1CCCO1 CBR00808 [1,0,0,1,0,0|2,0,0]=4 193 B10R1.78 O=C1C=CCCCCCC1 L169854 [1,0,0,1,0,0|1,0,1]=4 194 B10R1.348 O=C(O)C1CCC=CCC1 T165824 [1,0,0,1,0,0|0,0,2]=4 195 B10R1.348 O=[N+]([O-])C1CCCCCC1 S919098 [1,0,0,1,0,0|1,0,1]=4 196 B10R1.4 CCCC1CCCCC1O S365769 [1,0,0,1,0,0|0,0,1]=3 197 B10R1.4 N#CCC1CCCCC1=O PH008486 [1,0,0,1,0,0|1,0,1]=4 198 B10R1.4 NCCN1CCCCC1=O CBR02341 [1,0,0,1,0,0|2,0,0]=4 199 B10R1.7 C=C1CCCCCCC1O T181676 [1,0,0,1,0,0|2,0,0]=4 200 B10R1.7 C=C1CCCCCCC1O T232742 [1,0,0,1,0,0|2,0,0]=4 201 B10R1.7 CC1CCCCCCC1=O S53075 [1,0,0,1,0,0|0,0,0]=2 202 B10R1.17 BrCCCC1CCCCC1 S345016 [1,0,0,1,0,0|1,0,1]=4 203 B10R1.17 CCNCC1CCCCO1 CBR00835 [1,0,0,1,0,0|1,0,1]=4 204 B10R1.17 ClCCCC1CCCCC1 R426857 [1,0,0,1,0,0|1,0,1]=4 205 B10R1.17 N#CCCC1CCCCC1 PH010247 [1,0,0,1,0,0|1,0,1]=4 206 B10R1.17 O=CCCC1CCCCC1 CDS019184 [1,0,0,1,0,0|0,0,0]=2 207 B10R1.17 OCCCC1CCCCN1 CBR01786 [1,0,0,1,0,0|1,0,1]=4 208 B10R1.17 OCCCC1CCCNC1 CBR00005 [1,0,0,1,0,0|1,0,1]=4 209 B10R1.17 OCCNC1CCCCC1 T308269 [1,0,0,1,0,0|1,0,1]=4 210 B10R1.29 CCCCN1CCCC1=O S434221 [1,0,0,1,0,0|1,0,0]=3 211 B10R1.85 NCCC1CCCCCC1 CBR01497 [1,0,0,1,0,0|1,0,1]=4 212 B10R1.85 OCCN1CCCCCC1 S362328 [1,0,0,1,0,0|1,0,1]=4 213 B10R1.185 C1=CCCCCCCCC1 S462977 [1,0,0,1,0,0|1,0,0]=3 214 B12R1.7 C(=C\CCC1CCC(=O)C1)\CC T279757 [0,1,0,1,0,0|1,0,1]=4 215 B12R1.212 N[C@H]1CCC=CCC[C@H]1C(=O)O BBO000397 [0,1,0,1,0,0|0,0,2]=4 216 B12R1.212 N[C@H]1CCCCCC[C@H]1C(=O)O BBO000396 [0,1,0,1,0,0|0,0,0]=2 217 B12R1.456 CCCCCC1=CC(=O)CC1C T202762 [0,1,0,1,0,0|1,0,1]=4 218 B12R1.456 CCCCC[C@H]1N=C(C[C@H]1C)N PH015189 [0,1,0,1,0,0|2,0,0]=4 219 B12R1.1392 CC(=O)OC1CCCCCCC1 S345067 [0,1,0,1,0,0|1,0,0]=3 220 B12R1.1392 CC(=O)OC1CCCCCOC1 T165980 [0,1,0,1,0,0|2,0,0]=4 221 B12R1.1392 CC(=O)OC1CCCCOCC1 T177261 [0,1,0,1,0,0|2,0,0]=4 222 B12R1.1392 N=C(N)NC1CCCCCCC1 R230871 [0,1,0,1,0,0|2,0,0]=4 223 B12R1.1392 NC(=O)NC1CCCCCCC1 S345083 [0,1,0,1,0,0|1,0,0]=3 224 B12R1.1392 O=C(O)CN1CCCCCCC1 T318949 [0,1,0,1,0,0|0,0,0]=2 225 B12R1.206 O=C1CCC(=O)OCCCCO1 S765023 [0,1,0,1,0,0|1,0,1]=4 226 B12R1.226 CN1CCCC(C1)CCC(=O)O CBR01268 [0,1,0,1,0,0|1,0,0]=3 227 B12R1.261 O=C(O)[C@H]1CCCC[C@H]1C(=O)O S443824 [0,1,0,1,0,0|1,0,1]=4 228 B12R1.392 CC(C)CN1CCC[C@@H]1C(=O)O PH015820 [0,1,0,1,0,0|1,0,0]=3 229 B12R1.27 COC(=O)CCN1CCCCC1 PH006882 [0,1,0,1,0,0|1,0,0]=3 230 B12R1.27 COC(=O)CNC1CCOCC1 CDS023751 [0,1,0,1,0,0|2,0,0]=4 231 B12R1.27 NNC(=O)COC1CCCCC1 PH018699 [0,1,0,1,0,0|2,0,0]=4 232 B12R1.27 O=C(CCl)NCC1CCCCC1 CBR00098 [0,1,0,1,0,0|2,0,0]=4 233 B12R1.150 O=C1CCCCCCCCC1=O T209074 [0,1,0,1,0,0|0,0,1]=3 234 B12R1.150 O=C1CCCCCCCCC1O S116742 [0,1,0,1,0,0|0,0,0]=2 235 B12R1.407 CCC1C=CCCCCC(=O)C1 T211451 [0,1,0,1,0,0|1,0,1]=4 236 B12R1.477 COC(=O)NCCC1CCCC1 T175315 [0,1,0,1,0,0|1,0,0]=3 237 B12R1.43 C/C(=C\C1CCCCC1)/C(=O)O T135801 [0,1,0,1,0,0|0,0,2]=4 238 B12R1.43 O=C(O)C(Br)CC1CCCCC1 PH016309 [0,1,0,1,0,0|0,0,0]=2 239 B12R1.279 CCCN1CCCC(C1)C(=O)N PH014121 [0,1,0,1,0,0|2,0,0]=4 240 B12R1.2197 CC(C(=O)O)N1CCCCCC1 R690996 [0,1,0,1,0,0|1,0,0]=3 241 B12R1.54 O=C(O)CCC(=O)N1CCCC1 S701327 [0,1,0,1,0,0|1,0,1]=4 242 B12R1.482 C=C1CC1CC(O)CCCCC R240346 [0,1,0,1,0,0|2,0,0]=4 243 B12R1.1009 CC1CCCC(N1CC(=O)O)C CDS002055 [0,1,0,1,0,0|1,0,0]=3 244 B12R1.1343 O=C(O)CCN1CCCCCC1 T318035 [0,1,0,1,0,0|0,0,0]=2 245 B12R1.3110 O=C(O)C#CC1(CCCCC1)O TMT00432 [0,1,0,1,0,0|0,0,2]=4 246 B12R1.21 CC1CCN(CC1)CCC(=O)O CDS002376 [0,1,0,1,0,0|1,0,0]=3 247 B12R1.21 CN1CCN(CC1)CCC(=O)O ANV00094 [0,1,0,1,0,0|2,0,0]=4 248 B12R1.21 NC1CCC(CC1)CCC(=O)O CDS021645 [0,1,0,1,0,0|0,0,0]=2 249 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)O R228745 [0,1,0,1,0,0|1,0,1]=4 250 B12R1.1020 CN1CCCN(CC1)CC(=O)O CBR00721 [0,1,0,1,0,0|2,0,0]=4 251 B12R1.1020 CN1CCCN(CC1)CC(=O)O PH017382 [0,1,0,1,0,0|2,0,0]=4 252 B12R1.125 CN1CCCCC1CCC(=O)O CBR01004 [0,1,0,1,0,0|0,0,0]=2 253 B12R1.125 O=C(O)CCC1CCCCC1=O PH010413 [0,1,0,1,0,0|0,0,1]=3 254 B12R1.127 CC(=O)NC1CC(CCC1C)Cl S765635 [0,1,0,1,0,0|2,0,0]=4 255 B12R1.127 CN1CCN(C(C1)CC(=O)O)C PH018453 [0,1,0,1,0,0|2,0,0]=4 256 B12R1.127 CN1CCN(C(C1)CC(=O)O)C PH019489 [0,1,0,1,0,0|2,0,0]=4 257 B12R1.252 CC(=O)CCC=C1CCCCC1 T326119 [0,1,0,1,0,0|1,0,1]=4 258 B12R1.252 CC(=O)NCCC1CCCCN1 CBR01178 [0,1,0,1,0,0|2,0,0]=4 259 B12R1.252 CC(=O)OCCC1CCCCO1 T177571 [0,1,0,1,0,0|2,0,0]=4 260 B12R1.252 NC(=O)CCCC1CCCCC1 L159417 [0,1,0,1,0,0|1,0,0]=3 261 B12R1.252 O=C(O)CCCC1CCCCC1 S462837 [0,1,0,1,0,0|0,0,0]=2 262 B12R1.252 O=C(O)CCCN1CCCCC1 PH017094 [0,1,0,1,0,0|0,0,0]=2 263 B12R1.252 O=C(O)CCCN1CCOCC1 CDS019660 [0,1,0,1,0,0|1,0,0]=3 264 B12R1.252 O=C(O)CCNC1CCCCC1 S373834 [0,1,0,1,0,0|0,0,0]=2 265 B12R1.252 O=C(O)COCC1CCCCO1 CBR01455 [0,1,0,1,0,0|1,0,0]=3 266 B12R1.252 O=C([O-])CCCC1CCCCC1 S462209 [0,1,0,1,0,0|0,0,1]=3 267 B12R1.28 CCCCOC1=CC(=O)CCC1 PH011428 [0,1,0,1,0,0|1,0,1]=4 268 B12R1.75 COC1CCCCC1OC(=O)C S677361 [0,1,0,1,0,0|2,0,0]=4 269 B12R1.130 O=C(O)CCCN1CCCC1=O CBR00225 [0,1,0,1,0,0|1,0,1]=4 270 B12R1.255 CC(O)CCCCC1CCCO1 R397423 [0,1,0,1,0,0|1,0,1]=4 271 B12R1.255 O=C(O)CCCNC1=NCCC1 CDS006974 [0,1,0,1,0,0|1,0,1]=4 272 B12R1.891 O=S(=O)(O)CCC1CCCCN1 PH007384 [0,1,0,1,0,0|2,0,0]=4 273 B12R2.24 C12CCCCC1NC(=O)CC2 S782548 [0,0,0,2,0,0|1,0,0]=3 274 B12R2.24 O=C1CN2CCCCC2CN1 T162582 [0,0,0,2,0,0|2,0,0]=4 275 B12R2.375 C(=O)C1CCC2C1CC(=O)O2 T211354 [0,0,0,2,0,0|1,0,1]=4 276 B12R2.2314 O=C1CCC2(O1)CCCC2=O T273600 [0,0,0,2,0,0|1,0,1]=4 277 B12R2.2918 O=C1CCC2(N1)CCCCC2 PH008917 [0,0,0,2,0,0|1,0,0]=3 278 B12R2.2918 O=C1CCC2(O1)CCCCC2 T223042 [0,0,0,2,0,0|0,0,0]=2 279 B12R2.2918 O=C1CSC2(N1)CCCCC2 PH010365 [0,0,0,2,0,0|2,0,0]=4 280 B12R2.2918 O=C1NCC2(O1)CCNCC2 CDS021614 [0,0,0,2,0,0|2,0,0]=4 281 B12R2.2016 C1CCCCC2OC2CCC1 S765066 [0,0,0,2,0,0|1,0,1]=4 282 B12R2.1392 O=C(O)C1CC2CCC1CC2 S928674 [0,0,0,2,0,0|0,0,0]=2 283 B12R2.2028 CC1OC(=O)C2=C1CCCC2 T242934 [0,0,0,2,0,0|0,0,2]=4 284 B12R2.114 [C@H]12CCCC(=O)N[C@H]1CCC2 T167304 [0,0,0,2,0,0|1,0,0]=3 285 B12R2.1661 CC(=O)OC1CC2CCC1C2 S957747 [0,0,0,2,0,0|2,0,0]=4 286 B12R2.1661 O=C(O)C[C@@H]1C[C@@H]2C=C[C@H]1C2 CDS008399 [0,0,0,2,0,0|0,0,2]=4 287 B12R2.1661 [C@H]12CC[C@H](C1)CC2SC(=O)C S431249 [0,0,0,2,0,0|2,0,0]=4 288 B12R2.19 [C@@H]12CCCC[C@@]1(NC(=O)O2)C T167711 [0,0,0,2,0,0|2,0,0]=4 289 B12R2.252 [C@H]12CCC[C@H]1N[C@@H](C2)C(=O)O CDS019097 [0,0,0,2,0,0|1,0,0]=3 290 B12R2.2412 C12CCCCC1(CCCC2)O T185485 [0,0,0,2,0,0|1,0,1]=4 291 B12R2.1019 O=C1NC2CCCC1CCC2 T170720 [0,0,0,2,0,0|1,0,0]=3 292 B12R2.2404 O=S1(=O)C2CCCC1CCC2 T175250 [0,0,0,2,0,0|1,0,1]=4 293 B12R2.2353 O=S1(=O)C2CCCCC1CC2 T182915 [0,0,0,2,0,0|1,0,1]=4