0 B8R0.7 C#C/C=C/CCC(=O)O CVT00120 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.7 C(=O)OCCCC(=O)C R396036 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.7 C=C/C=C/CCC(=O)O CVT00134 [0,0,0,0,0,0|0,0,4]=4 3 B8R0.7 C=CCOCCC(=O)O CDS000343 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.7 CC(=CCCCCBr)C PH009497 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.7 CC(=O)NCCCCN CDS021099 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.7 CC(C)CCCCCN CDS001505 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.7 CCCCCCC(C)C S430935 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.7 CCCCCCC(C)Cl S564516 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.7 CCCCCOC(=O)Cl CDS000346 [0,0,0,0,0,0|2,0,0]=2 11 B8R0.7 CCCCOCC(=O)O CDS008145 [0,0,0,0,0,0|1,0,0]=1 12 B8R0.7 CCCCSCC(C)C S570567 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.7 CCCC[Hg]OC(=O)C S814512 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.7 CCCNCCC(=O)O OTV000481 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.7 CCSCCCC(=O)O PH008798 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.7 CN(C)CCCCCN CDS002923 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.7 COCCCNC(=S)N S649139 [0,0,0,0,0,0|3,1,0]=4 18 B8R0.7 N#CCCNCC(=O)O R436143 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.7 NC(=O)CCCCCBr CDS003086 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.7 NCCCCCC(=O)N CDS015235 [0,0,0,0,0,0|2,0,0]=2 21 B8R0.7 NCCCCNC(=S)S PH008612 [0,0,0,0,0,0|2,2,0]=4 22 B8R0.7 NCCSCCC(=O)O PH011733 [0,0,0,0,0,0|2,0,0]=2 23 B8R0.7 O=C(O)CCNCCO S888699 [0,0,0,0,0,0|2,0,0]=2 24 B8R0.7 O=C(O)CCOCCO CDS021155 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.1 C(=O)NCCCOC S363286 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.1 C/C=C\CCCCO S310700 [1,0,0,0,0,0|0,0,3]=4 27 B7R0.1 C=CCCCCCO S303445 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.1 CCCCCC[Hg]Cl S572519 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.1 CCCCCON=O CDS000385 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.1 CCCCSCCC S367192 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.1 CCCCSCCO S527408 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.1 CCCNCCC#N PH017151 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.1 CCCOCCCN CDS000217 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.1 CCOCCCNN PH019429 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.1 CNCCCCCO PH007838 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.1 CNCCNCCO S522449 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.1 COCCCCCO PH003271 [1,0,0,0,0,0|1,0,1]=3 38 B7R0.1 COCCSCCO PH010752 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.1 N#CCCCCCN PH014777 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.1 NCCCNCCO S446831 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.1 NCCNCCCO CDS000635 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.1 OCCCNCCO S408409 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.4 C=C(Br)CCCCBr S881252 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.4 C=C=CCCC(=O)O CVT00110 [1,0,0,0,0,0|0,0,3]=4 45 B7R0.4 C=CCOCC(=O)O CDS023318 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.4 CC(=O)NCCCO OTV000276 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.4 CC(=O)OCCCS S786683 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.4 CCC/C=C/C(=O)C CDS001219 [1,0,0,0,0,0|1,0,2]=4 49 B7R0.4 CCC/C=C/C(=O)N PH008310 [1,0,0,0,0,0|1,0,2]=4 50 B7R0.4 CCCCCC(=N)N CBR01197 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.4 CCCCCC(C)Cl CDS000285 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.4 CCCCNC(=O)C CDS013581 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.4 CCCCNC(=S)N S565970 [1,0,0,0,0,0|2,1,0]=4 54 B7R0.4 CCCCSC(=N)N S500534 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.4 CCCCSC(=N)N S557153 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.4 CCCNC[C@@H](C)O PH016360 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.4 CCO/C=C/C(=O)O CDS016341 [1,0,0,0,0,0|1,0,2]=4 58 B7R0.4 CCOCCC(=N)N PH016244 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.4 CCOCCC(=O)O S448745 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.4 CNCCCC(=O)O PH006886 [1,0,0,0,0,0|1,0,0]=2 61 B7R0.4 COCCCC(=O)O CDS021485 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.4 COCCCC(C)O S671169 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.4 CSCCCC(=O)O OTV000795 [1,0,0,0,0,0|1,0,0]=2 64 B7R0.4 CSCCOC(=O)C S375721 [1,0,0,0,0,0|3,0,0]=4 65 B7R0.4 N#CCCCC(=O)O CDS007802 [1,0,0,0,0,0|1,0,1]=3 66 B7R0.4 N#CCSCC(=O)O EME00129 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.4 NC(=O)CCCCO S441481 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.4 NC(=O)COCCO S449792 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.4 NCCNCC(=O)O CDS000144 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.4 NCCOCC(=O)O T160229 [1,0,0,0,0,0|2,0,0]=3 71 B9R0.1 CCC(C)CCCC(C)C S765406 [0,1,0,0,0,0|2,0,1]=4 72 B9R0.1 COC(C)CCOC(=O)C CDS000509 [0,1,0,0,0,0|3,0,0]=4 73 B9R0.1 NCC(=O)NCCC(=O)O S601128 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.2 C=C(Cl)CNCCCOC PH008765 [0,1,0,0,0,0|3,0,0]=4 75 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [0,1,0,0,0,0|0,0,1]=2 76 B9R0.2 CCCCCCCC(C)Br S438758 [0,1,0,0,0,0|2,0,1]=4 77 B9R0.2 CCCNOCCC(=O)C S581321 [0,1,0,0,0,0|2,0,0]=3 78 B9R0.2 COCCCCCC(=O)O CBR00492 [0,1,0,0,0,0|0,0,0]=1 79 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,1,0,0,0,0|1,0,1]=3 80 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,1,0,0,0,0|1,0,1]=3 81 B9R0.4 CCCCC(N)CC(=O)O CBR00513 [0,1,0,0,0,0|0,0,0]=1 82 B9R0.4 CCCNC(=O)CC(=O)C R466107 [0,1,0,0,0,0|2,0,1]=4 83 B9R0.4 CCCOC(=O)CC(=O)C CDS000562 [0,1,0,0,0,0|2,0,1]=4 84 B9R0.38 CCCCCCS(=O)(=O)[O-] R426628 [0,1,0,0,0,0|1,0,1]=3 85 B9R0.46 CCCCC#CC(=O)OC PH000094 [0,1,0,0,0,0|0,0,2]=3 86 B9R0.46 CCCCCC/C(=N/O)/C S648302 [0,1,0,0,0,0|1,0,0]=2 87 B9R0.46 CCCCCC[C@@H](C)CBr PH007998 [0,1,0,0,0,0|2,0,1]=4 88 B9R0.46 CCCCCNC(=O)CCl S627690 [0,1,0,0,0,0|2,0,0]=3 89 B9R0.46 CCCCOCC(O)CCl R345563 [0,1,0,0,0,0|2,0,1]=4 90 B9R0.46 CCCCOCC(O)CO PH010017 [0,1,0,0,0,0|1,0,2]=4 91 B9R0.46 COC(=O)CCCCCBr S125334 [0,1,0,0,0,0|1,0,0]=2 92 B9R0.46 COCCCNC(=O)CCl PH017216 [0,1,0,0,0,0|3,0,0]=4 93 B9R0.47 CC(NCCC#N)C(=O)O S114073 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.47 CCCCCC(O)C(C)C S431656 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.47 [C@@H](N)(CSCCO)C(=O)O PH010771 [0,1,0,0,0,0|2,0,0]=3 96 B9R0.48 CCC[C@H](C)CCC(=O)O PH008003 [0,1,0,0,0,0|0,0,0]=1 97 B9R0.48 CCOC(=S)SCC(=O)O S390321 [0,1,0,0,0,0|2,0,1]=4 98 B9R0.48 CCSC(=S)NCC(=O)O S500496 [0,1,0,0,0,0|2,0,1]=4 99 B9R0.48 NCCC(=O)NCC(=O)O S451169 [0,1,0,0,0,0|2,0,1]=4 100 B9R0.55 NC(=O)CSCCC(=O)O EME00025 [0,1,0,0,0,0|2,0,1]=4 101 B9R0.55 O=C(O)CCSCC(=O)O PH001934 [0,1,0,0,0,0|2,0,1]=4 102 B9R0.55 O=C([O-])CCCCC(=O)[O-] S566012 [0,1,0,0,0,0|1,0,2]=4 103 B9R1.2 C=CC1CCCC(=O)O1 T220795 [0,0,0,1,0,0|0,0,2]=3 104 B9R1.2 CCC1COCC(=O)N1 CBR01631 [0,0,0,1,0,0|2,0,0]=3 105 B9R1.2 COC1=CC(=O)CCC1 T288349 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.6 CC(=O)C1CCCCC1 PH000084 [0,0,0,1,0,0|1,0,0]=2 107 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [0,0,0,1,0,0|2,0,0]=3 108 B9R1.6 N=C(N)N1CCCCC1 CDS014887 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.6 NC(=O)N1CCNCC1 CDS002866 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.6 NC(=S)C1CCNCC1 CBR01740 [0,0,0,1,0,0|2,1,0]=4 112 B9R1.6 O=C(Cl)C1CC=CCC1 PH015122 [0,0,0,1,0,0|1,0,2]=4 113 B9R1.6 O=C(Cl)C1CCOCC1 CDS016614 [0,0,0,1,0,0|2,0,0]=3 114 B9R1.6 O=C(Cl)C1CCOCC1 SYX00374 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.6 O=C(O)C1=COCCC1 CDS022220 [0,0,0,1,0,0|1,0,2]=4 116 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [0,0,0,1,0,0|1,0,0]=2 117 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [0,0,0,1,0,0|1,0,0]=2 118 B9R1.6 O=C(O)C1CCSCN1 CBR00886 [0,0,0,1,0,0|2,0,0]=3 119 B9R1.6 O=C(O)C1CNCCN1 PH011527 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.6 O=C(O)C1CNCCO1 CDS017627 [0,0,0,1,0,0|2,0,0]=3 121 B9R1.13 C=C(Cl)CN1CCCC1 PH012633 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.13 CC(=O)C=C1CCCC1 L170097 [0,0,0,1,0,0|1,0,2]=4 123 B9R1.13 CC(=O)CC1CCCC1 L162353 [0,0,0,1,0,0|1,0,0]=2 124 B9R1.13 CC(=O)CC1OCCO1 S561088 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [0,0,0,1,0,0|2,0,0]=3 126 B9R1.13 CC(O)CN1CCCC1 S370576 [0,0,0,1,0,0|2,0,1]=4 127 B9R1.13 NC(=O)NC1CCCC1 S345148 [0,0,0,1,0,0|2,0,0]=3 128 B9R1.13 O=C(Cl)CC1CCCC1 CDS001438 [0,0,0,1,0,0|1,0,0]=2 129 B9R1.13 O=C(O)C=C1CCCC1 S757934 [0,0,0,1,0,0|0,0,2]=3 130 B9R1.13 O=C(O)CC1CCCO1 CDS001898 [0,0,0,1,0,0|1,0,0]=2 131 B9R1.13 O=C(O)CN1CCCC1 ANV00142 [0,0,0,1,0,0|1,0,0]=2 132 B9R1.13 O=C(O)CN1CCCC1 L481092 [0,0,0,1,0,0|1,0,0]=2 133 B9R1.40 CC1(CCCCC1O)O S352799 [0,0,0,1,0,0|2,0,1]=4 134 B9R1.40 CC1CCCCC1(F)F MNO000101 [0,0,0,1,0,0|2,0,1]=4 135 B9R1.40 O=S1(=O)CCCCC1Cl T166502 [0,0,0,1,0,0|2,0,1]=4 136 B9R1.41 CC(=O)C1=C(CCC1)C R426032 [0,0,0,1,0,0|1,0,2]=4 137 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CDS009161 [0,0,0,1,0,0|2,0,0]=3 138 B9R1.50 BrC1CCCCCCC1 PH011377 [0,0,0,1,0,0|2,0,1]=4 139 B9R1.50 OC1CCCCCOC1 T168815 [0,0,0,1,0,0|2,0,1]=4 140 B9R1.85 O=C(O)/C=C/NC1CC1 L164003 [0,0,0,1,0,0|1,0,2]=4 141 B9R1.148 CC1(CCCCCC1)O S411949 [0,0,0,1,0,0|1,0,1]=3 142 B6R0.6 C=CCSCCC S357391 [2,0,0,0,0,0|1,0,1]=4 143 B6R0.6 CCCCCSC S357952 [2,0,0,0,0,0|1,0,1]=4 144 B6R0.6 CCCCNC=O S550981 [2,0,0,0,0,0|1,0,0]=3 145 B6R0.6 CCCNCCC R580155 [2,0,0,0,0,0|1,0,1]=4 146 B6R0.6 CCCSCCO S408859 [2,0,0,0,0,0|1,0,0]=3 147 B6R0.6 CCSCCCO PH017932 [2,0,0,0,0,0|1,0,0]=3 148 B6R0.6 COCCCC=O CDS022820 [2,0,0,0,0,0|1,0,0]=3 149 B6R0.6 COCCNC=O PH007296 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.6 FCCCCCBr CBR02103 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.6 NCCSCCO S449539 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.4 CCCCC(=N)N PH017352 [2,0,0,0,0,0|2,0,0]=4 153 B6R0.4 CCCCC(=S)N PH000512 [2,0,0,0,0,0|1,1,0]=4 154 B6R0.4 CCCSC(=O)C CDS000298 [2,0,0,0,0,0|2,0,0]=4 155 B6R0.4 CCNCC(=O)N S877379 [2,0,0,0,0,0|2,0,0]=4 156 B6R0.4 CCNCC(=O)N S986194 [2,0,0,0,0,0|2,0,0]=4 157 B6R0.4 CCSCC(=O)C S614262 [2,0,0,0,0,0|2,0,0]=4 158 B6R0.4 CNCCC(=O)O CDS013939 [2,0,0,0,0,0|1,0,0]=3 159 B6R0.4 CSCCC(=O)Cl CDS000414 [2,0,0,0,0,0|2,0,0]=4 160 B6R0.4 N#CCCC(=O)O CDS009069 [2,0,0,0,0,0|1,0,1]=4 161 B6R0.4 NC(=O)CCCCl OTV000845 [2,0,0,0,0,0|2,0,0]=4 162 B6R0.4 O=C(O)CCCS CDS004545 [2,0,0,0,0,0|1,0,0]=3 163 B8R0.1 C/C=C\C(O)CCCC S364290 [1,1,0,0,0,0|1,0,1]=4 164 B8R0.1 CCCC(O)CCCO S838322 [1,1,0,0,0,0|0,0,1]=3 165 B8R0.1 CCCCN(C)CCO PH017931 [1,1,0,0,0,0|1,0,1]=4 166 B8R0.4 C#CCCCCCCO SYX00205 [1,1,0,0,0,0|0,0,2]=4 167 B8R0.4 C(=C/CCCCCO)\C T264652 [1,1,0,0,0,0|0,0,2]=4 168 B8R0.4 C(=O)NCCOCCO S405213 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.4 CC#CCCCCCO T264709 [1,1,0,0,0,0|0,0,2]=4 170 B8R0.4 CCCCCCCSC S570729 [1,1,0,0,0,0|0,1,1]=4 171 B8R0.4 CCCCCCC[Hg]Cl S572500 [1,1,0,0,0,0|1,0,1]=4 172 B8R0.4 CCCCCSCCO S357928 [1,1,0,0,0,0|0,0,1]=3 173 B8R0.4 CCCCNCCC#N S399493 [1,1,0,0,0,0|1,0,1]=4 174 B8R0.4 CCCCNCCCC S367869 [1,1,0,0,0,0|1,0,1]=4 175 B8R0.4 CCCCNCCCC S503894 [1,1,0,0,0,0|1,0,1]=4 176 B8R0.4 CCCCNCCCC S566152 [1,1,0,0,0,0|1,0,1]=4 177 B8R0.4 CCNCCCCCO PH007898 [1,1,0,0,0,0|0,0,1]=3 178 B8R0.4 COCCCNCCO OTV000453 [1,1,0,0,0,0|1,0,1]=4 179 B8R0.4 CSCCCCCCO S931667 [1,1,0,0,0,0|0,0,1]=3 180 B8R0.4 CSCCCCCSC S375896 [1,1,0,0,0,0|2,0,0]=4 181 B8R0.4 OCCCNCCCO PH010217 [1,1,0,0,0,0|1,0,1]=4 182 B8R0.4 [NH2+](CCCC)CCCC S348880 [1,1,0,0,0,0|1,0,1]=4 183 B8R0.6 CCC(C)CNCCO S393967 [1,1,0,0,0,0|1,0,1]=4 184 B8R0.6 O=CCCCC(O)C=O PH009970 [1,1,0,0,0,0|1,0,1]=4 185 B8R0.5 CCCC(=O)CC(=O)C S839566 [1,1,0,0,0,0|1,0,1]=4 186 B8R0.5 CCCC(N)CC(=O)O BBO000362 [1,1,0,0,0,0|0,0,0]=2 187 B8R0.8 CCC/C=C(\C)/C(=O)O CDS000408 [1,1,0,0,0,0|0,0,2]=4 188 B8R0.8 CCCCC(C)C(=O)Cl PH011486 [1,1,0,0,0,0|1,0,0]=3 189 B8R0.8 CCCCC(C)C(C)O S374199 [1,1,0,0,0,0|1,0,1]=4 190 B8R0.8 CCCCC(N)C(=O)N CDS003890 [1,1,0,0,0,0|1,0,0]=3 191 B8R0.8 CSCCC(O)C(=O)O PH000120 [1,1,0,0,0,0|1,0,0]=3 192 B8R0.8 NCCCC(N)C(=O)O S594881 [1,1,0,0,0,0|1,0,0]=3 193 B8R0.8 [C@H](N)(CSCC)C(=O)O S361615 [1,1,0,0,0,0|1,0,0]=3 194 B8R0.9 CCC(=O)CCC(=O)O S574090 [1,1,0,0,0,0|0,0,1]=3 195 B8R0.21 CCCCCC(C)(C)O S431567 [1,1,0,0,0,0|1,0,1]=4 196 B8R0.21 CCCCCS(=O)(=O)O PH018433 [1,1,0,0,0,0|1,0,0]=3 197 B8R0.21 CCCCNS(=O)(=O)O R159344 [1,1,0,0,0,0|2,0,0]=4 198 B8R0.28 CC(=O)CCCC(=O)N PH008391 [1,1,0,0,0,0|1,0,1]=4 199 B8R0.28 CC(=O)CCCC(C)C CDS000306 [1,1,0,0,0,0|1,0,0]=3 200 B8R0.28 CC(=O)CCCN(C)C PH014778 [1,1,0,0,0,0|2,0,0]=4 201 B8R0.28 CC(=O)CSCC(C)C EME00074 [1,1,0,0,0,0|2,0,0]=4 202 B8R0.28 CC(C)CCCC(=O)O CDS003381 [1,1,0,0,0,0|0,0,0]=2 203 B8R0.28 CC(C)COCC(=O)O CDS014100 [1,1,0,0,0,0|1,0,0]=3 204 B8R0.28 CC(C)NCCC(=O)N CDS021106 [1,1,0,0,0,0|2,0,0]=4 205 B8R0.28 NC(=O)CCCC(=O)O CBR00275 [1,1,0,0,0,0|1,0,1]=4 206 B10R0.3 CCNC(=S)SCCC(=O)O S516945 [0,2,0,0,0,0|1,0,1]=4 207 B10R0.3 CCOC(=O)CCCC(=O)O PH011452 [0,2,0,0,0,0|0,0,1]=3 208 B10R0.3 CCOC(=S)SCCC(=O)O PH006943 [0,2,0,0,0,0|1,0,1]=4 209 B10R0.3 NCCC(=O)NCCC(=O)O PH009697 [0,2,0,0,0,0|1,0,1]=4 210 B10R0.44 CC[C@@H](C)C[C@H](N)CC(=O)O PH001846 [0,2,0,0,0,0|0,0,0]=2 211 B10R0.77 CCN(CC)OCCC(=O)O T160954 [0,2,0,0,0,0|2,0,0]=4 212 B10R0.98 CC(CCCC(=O)O)C(=O)O T271314 [0,2,0,0,0,0|1,0,1]=4 213 B10R0.98 CC(N)C(=O)NCCC(=O)O S784141 [0,2,0,0,0,0|1,0,1]=4 214 B10R0.4 CC(=CCCCCCCBr)C S793051 [0,2,0,0,0,0|2,0,0]=4 215 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [0,2,0,0,0,0|0,0,0]=2 216 B10R0.4 CCCCCCC#CC(=O)O S354023 [0,2,0,0,0,0|0,0,0]=2 217 B10R0.4 CCCCCCCCC(=N)N PH012190 [0,2,0,0,0,0|2,0,0]=4 218 B10R0.4 CCCCCCCCC(=O)N S595268 [0,2,0,0,0,0|1,0,0]=3 219 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [0,2,0,0,0,0|1,0,1]=4 220 B10R0.4 CCCCCCCNC(=O)C R704377 [0,2,0,0,0,0|1,0,0]=3 221 B10R0.4 CCCCCCCNC(=O)N S516643 [0,2,0,0,0,0|1,0,0]=3 222 B10R0.4 COCCOCCOC(=O)C S705659 [0,2,0,0,0,0|2,0,0]=4 223 B10R0.6 CCCCNC(=O)CC(=O)C R466115 [0,2,0,0,0,0|1,0,1]=4 224 B10R0.6 CCCOCC(C)OC(=O)C S84450 [0,2,0,0,0,0|2,0,0]=4 225 B10R0.22 CCCCCCOS(=O)(=O)[O-] S617164 [0,2,0,0,0,0|1,0,1]=4 226 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [0,2,0,0,0,0|1,0,0]=3 227 B10R0.55 COC(=O)CNCCN(C)C CDS023468 [0,2,0,0,0,0|2,0,0]=4 228 B10R0.55 CSC(=S)NCCCC(=O)O PH009425 [0,2,0,0,0,0|1,0,1]=4 229 B10R0.74 CCCCCC#CC(=O)CC S128325 [0,2,0,0,0,0|1,0,1]=4 230 B10R0.74 CCCCCCCC(=O)CC S544043 [0,2,0,0,0,0|1,0,0]=3 231 B10R0.74 CCCCCCCC(=O)NO CDS000528 [0,2,0,0,0,0|0,0,0]=2 232 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [0,2,0,0,0,0|0,0,1]=3 233 B10R0.74 CCCCCCCC(O)CC CDS001495 [0,2,0,0,0,0|1,0,1]=4 234 B10R0.74 CCCCCCNC(=O)NC S892793 [0,2,0,0,0,0|1,0,0]=3 235 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,2,0,0,0,0|1,0,0]=3 236 B10R0.74 CCCCCCOC(=S)S[K] S394122 [0,2,0,0,0,0|0,2,0]=4 237 B10R0.75 CCCCCCC(=O)C(C)C S350575 [0,2,0,0,0,0|1,0,0]=3 238 B10R0.75 CCCCCCC(O)C(C)C S417424 [0,2,0,0,0,0|1,0,1]=4 239 B10R0.75 NCCCCCC(N)C(=O)O PH008399 [0,2,0,0,0,0|0,0,0]=2 240 B10R0.78 C=C(C)CCC(O)COCC S312150 [0,2,0,0,0,0|2,0,0]=4 241 B10R0.78 COCNC(N)CCC(=O)O R434884 [0,2,0,0,0,0|1,0,0]=3 242 B10R0.97 CC(=O)NCSCCC(=O)O CDS005207 [0,2,0,0,0,0|1,0,1]=4 243 B10R0.96 CC(C)CC(=O)NCC(=O)O CDS000049 [0,2,0,0,0,0|1,0,1]=4 244 B10R0.96 CC(C)NC(=O)CCC(=O)O R698733 [0,2,0,0,0,0|1,0,1]=4 245 B10R0.1 CCCCCC[C@@H](C)N=C=O CDS001056 [0,2,0,0,0,0|1,0,1]=4 246 B10R0.1 CCCCCOC(=O)CC#N S549703 [0,2,0,0,0,0|2,0,0]=4 247 B10R0.1 CCCNCCC(=O)OCC OTV000022 [0,2,0,0,0,0|1,0,0]=3 248 B10R0.83 COC(=O)C(Br)CCCCBr S943185 [0,2,0,0,0,0|1,0,0]=3 249 B10R0.26 CCOC(=O)CC(N)C(=O)O S108782 [0,2,0,0,0,0|1,0,1]=4 250 B10R0.26 CCOC(=O)CC(N)C(=O)O S334383 [0,2,0,0,0,0|1,0,1]=4 251 B10R0.42 C=CCCCC(C)(C)C(=O)O PH002545 [0,2,0,0,0,0|0,0,2]=4 252 B10R0.42 CCOCCC(C)(C)C(=O)O PH007502 [0,2,0,0,0,0|1,0,0]=3 253 B8R1.2 CCC1CNCCO1 CDS009046 [1,0,0,1,0,0|1,0,1]=4 254 B8R1.2 NCC1CCCCO1 CDS006458 [1,0,0,1,0,0|1,0,1]=4 255 B8R1.2 NCC1CCCCO1 CDS006719 [1,0,0,1,0,0|1,0,1]=4 256 B8R1.2 NNC1CCCCC1 S859435 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.2 O=CC1CCCCO1 CDS019507 [1,0,0,1,0,0|1,0,0]=3 258 B8R1.2 O=CC1CCNCC1 CDS013816 [1,0,0,1,0,0|1,0,0]=3 259 B8R1.2 O=CC1CCOCC1 CDS020197 [1,0,0,1,0,0|1,0,0]=3 260 B8R1.2 O=CC1CCSCC1 CDS020250 [1,0,0,1,0,0|1,0,0]=3 261 B8R1.2 OCC1CCCOC1 CDS015486 [1,0,0,1,0,0|1,0,1]=4 262 B8R1.2 SCC1CCCCC1 CDS020661 [1,0,0,1,0,0|0,1,1]=4 263 B8R1.5 CC1SCCNC1=O R305707 [1,0,0,1,0,0|2,0,0]=4 264 B8R1.5 NC1CCCNC1=O CDS020148 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [1,0,0,1,0,0|1,0,1]=4 266 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [1,0,0,1,0,0|1,0,1]=4 267 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.5 O=C1CCOCC1F SYX00096 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.5 OC1CCCCC1Br PH007482 [1,0,0,1,0,0|1,0,1]=4 270 B8R1.8 CCCC1C=CCC1 R289795 [1,0,0,1,0,0|1,0,0]=3 271 B8R1.8 CCCC1OCCO1 S364665 [1,0,0,1,0,0|1,0,1]=4 272 B8R1.8 NCCC1CCCC1 CDS008185 [1,0,0,1,0,0|1,0,1]=4 273 B8R1.8 NCCC1CCCC1 T175072 [1,0,0,1,0,0|1,0,1]=4 274 B8R1.11 CCC1CCNC1=O CBR01663 [1,0,0,1,0,0|1,0,0]=3 275 B8R1.11 CN1CCCC1CO CDS011078 [1,0,0,1,0,0|1,0,1]=4 276 B8R1.11 N#CC1CCCC1=O CDS020714 [1,0,0,1,0,0|1,0,1]=4 277 B8R1.11 N[C@H]1CCC[C@H]1CO BBO000401 [1,0,0,1,0,0|1,0,1]=4 278 B8R1.11 O=C1CCCN1CO S362557 [1,0,0,1,0,0|2,0,0]=4 279 B8R1.12 OCC1CCC1CO T182095 [1,0,0,1,0,0|1,0,1]=4 280 B8R1.12 [C@@H]1(CC[C@H]1CO)CO T181404 [1,0,0,1,0,0|1,0,1]=4 281 B8R1.22 CC1CCCCCO1 T168866 [1,0,0,1,0,0|0,0,1]=3 282 B8R1.22 O=C1CCSCCN1 SYX00233 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.22 O=C1CNCCCN1 CDS019453 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.22 O=C1CSCCSC1 CBR01192 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.22 OC1CCCCCO1 S866032 [1,0,0,1,0,0|1,0,1]=4 286 B8R1.49 C1=CCOCCCC1 T177512 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.1 CCC1CNC(=O)C1 CBR00057 [1,0,0,1,0,0|2,0,0]=4 288 B8R1.1 CCC1COC(=O)N1 CBR02121 [1,0,0,1,0,0|2,0,0]=4 289 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.1 O=C1CCC(O1)CCl PH010125 [1,0,0,1,0,0|1,0,0]=3 291 B8R1.1 O=C1OCC(O1)CCl S416657 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.4 CC1CCOS(=O)O1 S359173 [1,0,0,1,0,0|2,0,0]=4 293 B8R1.7 NC(=O)C1CCCC1 EME00440 [1,0,0,1,0,0|1,0,0]=3 294 B8R1.7 NC(=O)C1CCCN1 CDS008010 [1,0,0,1,0,0|2,0,0]=4 295 B8R1.7 O=C(O)C1CCNC1 CDS007406 [1,0,0,1,0,0|1,0,0]=3 296 B8R1.7 O=C(O)[C@@H]1CSCN1 PH000111 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.19 CC1CCCS1(=O)=O S566659 [1,0,0,1,0,0|1,0,1]=4 298 B8R1.34 O=C(O)C=C1CCC1 T165123 [1,0,0,1,0,0|0,0,2]=4 299 B8R1.34 O=C(O)CC1CNC1 PHB00031 [1,0,0,1,0,0|1,0,0]=3 300 B8R1.35 O=C(O)/C=C\C1CC1 PH008009 [1,0,0,1,0,0|0,0,2]=4 301 B8R1.43 O=C(O)[C@H]1C[C@@H]1CBr PH016790 [1,0,0,1,0,0|1,0,0]=3 302 B10R1.13 CC(=O)N1CCC(CC1)N CDS010756 [0,1,0,1,0,0|2,0,0]=4 303 B10R1.13 CC1CCC(CC1)C(C)O PH000605 [0,1,0,1,0,0|1,0,1]=4 304 B10R1.13 CN1CCC(CC1)C(=O)O PH009778 [0,1,0,1,0,0|1,0,0]=3 305 B10R1.13 NC1CCC(CC1)C(=O)O CDS000161 [0,1,0,1,0,0|0,0,0]=2 306 B10R1.13 O=C(O)C1CCC(CC1)F MNO000187 [0,1,0,1,0,0|0,0,0]=2 307 B10R1.13 [C@@H]1(CC[C@H](CC1)C(=O)O)O ANV00233 [0,1,0,1,0,0|0,0,0]=2 308 B10R1.31 CCC1NC(CS1)C(=O)O S982571 [0,1,0,1,0,0|1,0,0]=3 309 B10R1.54 CN1CCC(C1)CC(=O)O CBR02303 [0,1,0,1,0,0|1,0,0]=3 310 B10R1.194 CC1C(=O)CCC1C(=O)O PH018686 [0,1,0,1,0,0|0,0,1]=3 311 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O PH009688 [0,1,0,1,0,0|1,0,1]=4 312 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [0,1,0,1,0,0|0,0,0]=2 313 B10R1.16 C=CCCC1CCC(=O)C1 T221252 [0,1,0,1,0,0|1,0,1]=4 314 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [0,1,0,1,0,0|1,0,0]=3 315 B10R1.18 CC(=O)CN1CCCCC1 R433675 [0,1,0,1,0,0|1,0,0]=3 316 B10R1.18 CC(=O)CN1CCOCC1 CDS006278 [0,1,0,1,0,0|2,0,0]=4 317 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [0,1,0,1,0,0|1,0,0]=3 318 B10R1.18 CC(=O)NC1CCNCC1 CDS000127 [0,1,0,1,0,0|2,0,0]=4 319 B10R1.18 CC(O)CN1CCCCC1 S418854 [0,1,0,1,0,0|1,0,1]=4 320 B10R1.18 N=C(N)NC1CCCCC1 L255009 [0,1,0,1,0,0|2,0,0]=4 321 B10R1.18 N=C(N)SC1CCCCC1 S822655 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.18 NC(=O)CC1CCCCN1 CDS022187 [0,1,0,1,0,0|1,0,0]=3 323 B10R1.18 NC(=O)CN1CCCCC1 OTV000055 [0,1,0,1,0,0|1,0,0]=3 324 B10R1.18 NC(=O)CN1CCNCC1 CDS002931 [0,1,0,1,0,0|2,0,0]=4 325 B10R1.18 NC(=O)NC1CCCCC1 S375047 [0,1,0,1,0,0|1,0,0]=3 326 B10R1.18 NC(=S)NC1CCCCC1 PH002195 [0,1,0,1,0,0|1,1,0]=4 327 B10R1.18 O=C(O)CC1CCCCN1 R409952 [0,1,0,1,0,0|0,0,0]=2 328 B10R1.18 O=C(O)CC1CCCNC1 PH010234 [0,1,0,1,0,0|0,0,0]=2 329 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [0,1,0,1,0,0|0,0,0]=2 330 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [0,1,0,1,0,0|0,0,0]=2 331 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [0,1,0,1,0,0|0,0,0]=2 332 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [0,1,0,1,0,0|0,0,0]=2 333 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [0,1,0,1,0,0|0,0,0]=2 334 B10R1.18 O=C(O)CN1CCCCC1 L481130 [0,1,0,1,0,0|0,0,0]=2 335 B10R1.18 O=C(O)CN1CCOCC1 ANV00112 [0,1,0,1,0,0|1,0,0]=3 336 B10R1.18 O=C(O)CN1CCOCC1 CDS007579 [0,1,0,1,0,0|1,0,0]=3 337 B10R1.18 OB(O)CC1CCCCC1 CDS004056 [0,1,0,1,0,0|1,0,1]=4 338 B10R1.38 C[C@@]1(CCCC[C@H]1CN)O BBO000381 [0,1,0,1,0,0|1,0,1]=4 339 B10R1.39 CCN1CCC[C@H]1C(=O)O CBR01772 [0,1,0,1,0,0|0,0,0]=2 340 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [0,1,0,1,0,0|1,0,0]=3 341 B10R1.61 CC(O)C1CCCCC1O S362417 [0,1,0,1,0,0|1,0,1]=4 342 B10R1.61 CC1=C(CCCO1)C(=O)O PH006887 [0,1,0,1,0,0|0,0,2]=4 343 B10R1.61 CC1C=CCCC1C(=O)O PH008388 [0,1,0,1,0,0|0,0,1]=3 344 B10R1.61 CC1CNCCC1C(=O)O CDS008293 [0,1,0,1,0,0|0,0,0]=2 345 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N BBO000407 [0,1,0,1,0,0|1,0,0]=3 346 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O BBO000684 [0,1,0,1,0,0|0,0,2]=4 347 B10R1.61 N[C@H]1CC=CC[C@@H]1C(=O)O BBO000678 [0,1,0,1,0,0|0,0,2]=4 348 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O BBO000677 [0,1,0,1,0,0|0,0,2]=4 349 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [0,1,0,1,0,0|0,0,0]=2 350 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [0,1,0,1,0,0|0,0,1]=3 351 B10R1.61 O=C(O)C1CCCNC1=O CBR01770 [0,1,0,1,0,0|1,0,1]=4 352 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [0,1,0,1,0,0|0,0,0]=2 353 B10R1.64 CC(=O)CC1CCCC1=O L166758 [0,1,0,1,0,0|1,0,1]=4 354 B10R1.64 CN1CCCC1CC(=O)O PH018759 [0,1,0,1,0,0|0,0,0]=2 355 B10R1.64 CN1CCC[C@H]1CC(=O)O PH018830 [0,1,0,1,0,0|0,0,0]=2 356 B10R1.64 O=C(O)CN1CCCC1=O PH009795 [0,1,0,1,0,0|1,0,1]=4 357 B10R1.66 O=C(O)C/N=C/1\CCCN1 R101699 [0,1,0,1,0,0|1,0,1]=4 358 B10R1.66 O=C(O)CCN1CCCC1 CDS002325 [0,1,0,1,0,0|0,0,0]=2 359 B10R1.66 O=C(O)CCN1CCCO1 CBR00808 [0,1,0,1,0,0|1,0,0]=3 360 B10R1.78 O=C1C=CCCCCCC1 L169854 [0,1,0,1,0,0|1,0,0]=3 361 B10R1.162 COC1=NC(CCCC1)C PH007837 [0,1,0,1,0,0|1,0,0]=3 362 B10R1.348 NC(=S)N1CCCCCC1 CBR01182 [0,1,0,1,0,0|1,1,0]=4 363 B10R1.348 O=C(O)C1CCC=CCC1 T165824 [0,1,0,1,0,0|0,0,1]=3 364 B10R1.348 O=[N+]([O-])C1CCCCCC1 S919098 [0,1,0,1,0,0|1,0,1]=4 365 B10R1.8 CCC1CC(=O)CC(=O)C1 CDS014187 [0,1,0,1,0,0|1,0,1]=4 366 B10R1.266 CC(=O)CC(=O)C1CCC1 SYX00422 [0,1,0,1,0,0|1,0,1]=4 367 B10R1.28 CC(C)(O)C1CCCCC1 T294985 [0,1,0,1,0,0|1,0,1]=4 368 B10R1.28 O=S(=O)(O)C1CCCCC1 PH018131 [0,1,0,1,0,0|1,0,0]=3 369 B10R1.1 CCOC1CCC(=O)CC1 MNO000113 [0,1,0,1,0,0|2,0,0]=4 370 B10R1.7 C=C1CCCCCCC1O T181676 [0,1,0,1,0,0|1,0,0]=3 371 B10R1.7 C=C1CCCCCCC1O T232742 [0,1,0,1,0,0|1,0,0]=3 372 B10R1.7 CC1CCCCCCC1=O S53075 [0,1,0,1,0,0|1,0,0]=3 373 B10R1.15 CC(C=O)C1CCCCC1 PH015130 [0,1,0,1,0,0|1,0,1]=4 374 B10R1.15 CC(CO)C1CCCCC1 PH015232 [0,1,0,1,0,0|1,0,1]=4 375 B10R1.15 CCC(=O)C1CCCNC1 CBR01650 [0,1,0,1,0,0|2,0,0]=4 376 B10R1.15 CCC(O)C1CCCCC1 PH000035 [0,1,0,1,0,0|1,0,1]=4 377 B10R1.15 CNC(=O)C1CCCNC1 CBR00913 [0,1,0,1,0,0|2,0,0]=4 378 B10R1.15 CNC(=O)C1CCCNC1 CDS017102 [0,1,0,1,0,0|2,0,0]=4 379 B10R1.15 CNC(=O)N1CCCCC1 S379557 [0,1,0,1,0,0|2,0,0]=4 380 B10R1.15 COC(=O)C1CC=CCC1 EME00035 [0,1,0,1,0,0|0,0,2]=4 381 B10R1.15 COC(=O)C1CNCCO1 CDS024237 [0,1,0,1,0,0|2,0,0]=4 382 B10R1.15 COC(=O)N1CCNCC1 CDS013607 [0,1,0,1,0,0|2,0,0]=4 383 B10R1.15 COC(=O)[C@@H]1CCCNC1 CDS019515 [0,1,0,1,0,0|1,0,0]=3 384 B10R1.15 NCC(=O)N1CCCCC1 CDS002437 [0,1,0,1,0,0|2,0,0]=4 385 B10R1.15 NNC(=O)C1CCCCC1 R703435 [0,1,0,1,0,0|1,0,0]=3 386 B10R1.15 O=C(CBr)N1CCCCC1 CBR00242 [0,1,0,1,0,0|2,0,0]=4 387 B10R1.15 O=C(CI)N1CCCCC1 PH006191 [0,1,0,1,0,0|2,0,0]=4 388 B10R1.27 COC(=O)CC1CCNC1 CBR02412 [0,1,0,1,0,0|1,0,0]=3 389 B10R1.27 NNC(=O)CN1CCCC1 CBR01278 [0,1,0,1,0,0|2,0,0]=4 390 B10R1.27 NNC(=O)CN1CCCC1 PH017245 [0,1,0,1,0,0|2,0,0]=4 391 B10R1.71 O=C1CCCCC(=O)CC1 S879320 [0,1,0,1,0,0|1,0,1]=4 392 B10R1.94 CCCC1=C(C(=O)CC1)Br PH015992 [0,1,0,1,0,0|1,0,1]=4 393 B10R1.94 CCCC1=C(C(=O)CC1)O PH008317 [0,1,0,1,0,0|0,0,1]=3 394 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N BBO000403 [0,1,0,1,0,0|1,0,0]=3 395 B10R1.230 C#C[C@]1(CCCC[C@H]1C)O PH016335 [0,1,0,1,0,0|1,0,1]=4 396 B10R1.23 CN(C(=O)N)C1CCCC1 S345121 [0,1,0,1,0,0|2,0,0]=4 397 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 PH016094 [0,1,0,1,0,0|0,0,0]=2 398 B10R1.23 N[C@H](C(=O)O)C1CCCC1 PH009812 [0,1,0,1,0,0|0,0,0]=2 399 B10R1.113 CC(=O)N1CCCC(C1)N CBR00904 [0,1,0,1,0,0|2,0,0]=4 400 B10R1.113 CC(=O)N1CCCC(C1)O CBR01458 [0,1,0,1,0,0|2,0,0]=4 401 B10R1.113 CC(C)C1CCCC(=O)C1 S883786 [0,1,0,1,0,0|1,0,0]=3 402 B10R1.113 CC(C)[C@@H]1CCOC(=O)C1 T253251 [0,1,0,1,0,0|2,0,0]=4 403 B10R1.113 CN1CCCC(C1)C(=O)N PH013754 [0,1,0,1,0,0|2,0,0]=4 404 B10R1.113 CN1CCCC(C1)C(=O)O CDS003577 [0,1,0,1,0,0|1,0,0]=3 405 B10R1.113 CN1CCCC(C1)C(=O)O CDS015858 [0,1,0,1,0,0|1,0,0]=3 406 B10R1.113 CN1CCNC(C1)C(=O)O CBR02466 [0,1,0,1,0,0|2,0,0]=4 407 B10R1.113 CN1CCOC(C1)C(=O)O CDS009752 [0,1,0,1,0,0|2,0,0]=4 408 B10R1.113 NC(=O)[C@H]1CCC[C@@H](C1)N CDS023691 [0,1,0,1,0,0|1,0,0]=3 409 B10R1.113 NC1CCCC(C1)C(=O)O CDS000338 [0,1,0,1,0,0|0,0,0]=2 410 B10R1.113 O=C(O)C1CNCC(C1)O CDS021813 [0,1,0,1,0,0|1,0,0]=3 411 B10R1.113 O=C1CCCC(N1)C(=O)O CDS003761 [0,1,0,1,0,0|1,0,1]=4 412 B10R1.131 CCCC1OC(=O)C(O1)C S397873 [0,1,0,1,0,0|1,0,0]=3 413 B10R1.176 CCC1CCC(=O)C(=O)C1 PH008686 [0,1,0,1,0,0|1,0,1]=4 414 B10R1.363 CC1(CCCCC1)C(=O)Cl S662380 [0,1,0,1,0,0|1,0,0]=3 415 B10R1.363 CC1(CCCNC1)C(=O)N CBR02426 [0,1,0,1,0,0|2,0,0]=4 416 B10R1.363 CC1(CCCNC1)C(=O)O CBR01687 [0,1,0,1,0,0|1,0,0]=3 417 B10R1.363 CC1(CCCNC1)C(=O)O PHB00204 [0,1,0,1,0,0|1,0,0]=3 418 B10R1.363 CC1(CCNCC1)C(=O)N CBR01691 [0,1,0,1,0,0|2,0,0]=4 419 B10R1.363 CC1(CCNCC1)C(=O)O CBR01543 [0,1,0,1,0,0|1,0,0]=3 420 B10R1.363 C[C@]1(C=CCCC1)C(=O)O T286788 [0,1,0,1,0,0|0,0,2]=4 421 B10R1.363 N=C(N)C1(CCCCC1)O PH016272 [0,1,0,1,0,0|2,0,0]=4 422 B10R1.363 NC(=O)C1(CCCCC1)Cl PH007086 [0,1,0,1,0,0|1,0,0]=3 423 B10R1.363 NC(=O)C1(CCCCC1)N CBR01964 [0,1,0,1,0,0|1,0,0]=3 424 B10R1.363 NC1(CCCCC1)C(=O)O S235024 [0,1,0,1,0,0|0,0,0]=2 425 B10R1.363 O=C(O)C1(CCNCC1)O CBR01688 [0,1,0,1,0,0|1,0,0]=3 426 B10R1.211 O=C(O)CNC(=O)C1CC1 CDS013336 [0,1,0,1,0,0|1,0,1]=4 427 B10R2.61 O=C1CC2CCCC1C2 T289124 [0,0,0,2,0,0|1,0,0]=3 428 B10R2.62 O=C1NC2CCC1CC2 PH001109 [0,0,0,2,0,0|1,0,0]=3 429 B10R2.62 O=C1OC2CCC1CC2 PH008267 [0,0,0,2,0,0|0,0,0]=2 430 B10R2.62 OC1CC2CCC1CC2 PH008493 [0,0,0,2,0,0|1,0,1]=4 431 B10R2.62 [C@H]12CC[C@H](NC1)C(=O)O2 PH016451 [0,0,0,2,0,0|1,0,0]=3 432 B10R2.320 O=C1NC2C1CCCC2 T281948 [0,0,0,2,0,0|1,0,0]=3 433 B10R2.351 O=C(O)C1C2C1CC=C2 T188301 [0,0,0,2,0,0|0,0,2]=4 434 B10R2.32 BrC1=C2CCCC2CC1 T219266 [0,0,0,2,0,0|2,0,0]=4 435 B10R2.32 [C@@H]12CCC[C@@H]1C(=O)CC2 T298077 [0,0,0,2,0,0|1,0,0]=3 436 B10R2.32 [C@@H]12CCC[C@@H]1[C@@H](CC2)O T262935 [0,0,0,2,0,0|1,0,1]=4 437 B10R2.32 [C@H]12CCC[C@H]1[C@H](CC2)O T292788 [0,0,0,2,0,0|1,0,1]=4 438 B10R2.189 CC1(CCCC2C1C2)O T180122 [0,0,0,2,0,0|1,0,1]=4 439 B10R2.189 C[C@@]1(CCCC2C1C2)O T180017 [0,0,0,2,0,0|1,0,1]=4 440 B10R2.37 [C@@H]12C=CC(=O)CC[C@@H]1C2 T169374 [0,0,0,2,0,0|1,0,1]=4 441 B10R2.37 [C@@H]12CCC(=O)CC[C@@H]1C2 T181390 [0,0,0,2,0,0|1,0,0]=3 442 B10R2.42 O=C1OC(=O)C2C1CC2 T169056 [0,0,0,2,0,0|1,0,1]=4 443 B10R2.42 [C@H]12CC[C@H]1C(=O)OC2=O T181250 [0,0,0,2,0,0|1,0,1]=4