0 B8R0.7 C#C/C=C/CCC(=O)O CVT00120 [0,0,0,0,0,0|1,0,3]=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|1,0,3]=4 3 B8R0.7 C=CCOCCC(=O)O CDS000343 [0,0,0,0,0,0|2,0,1]=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|2,0,0]=2 6 B8R0.7 CC(C)CCCCCN CDS001505 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.7 CCCCCCC(C)C S430935 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.7 CCCCCCC(C)Cl S564516 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.7 CCCCCOC(=O)Cl CDS000346 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.7 CCCCOCC(=O)O CDS008145 [0,0,0,0,0,0|2,0,0]=2 12 B8R0.7 CCCC[Hg]OC(=O)C S814512 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.7 CCCNCCC(=O)O OTV000481 [0,0,0,0,0,0|2,0,0]=2 14 B8R0.7 CCSCCCC(=O)O PH008798 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.7 CN(C)CCCCCN CDS002923 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.7 N#CCCNCC(=O)O R436143 [0,0,0,0,0,0|1,0,2]=3 17 B8R0.7 NC(=O)CCCCCBr CDS003086 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.7 NCCCCCC(=O)N CDS015235 [0,0,0,0,0,0|1,0,0]=1 19 B8R0.7 NCCCCNC(=S)S PH008612 [0,0,0,0,0,0|1,2,0]=3 20 B8R0.7 NCCSCCC(=O)O PH011733 [0,0,0,0,0,0|1,0,0]=1 21 B8R0.7 O=C(O)CCNCCO S888699 [0,0,0,0,0,0|2,0,0]=2 22 B8R0.7 O=C(O)CCOCCO CDS021155 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.1 C(=O)NCCCOC S363286 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.1 C/C=C\CCCCO S310700 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.1 C=CCCCCCO S303445 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.1 CCCCCC[Hg]Cl S572519 [1,0,0,0,0,0|3,0,0]=4 27 B7R0.1 CCCCCON=O CDS000385 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.1 CCCCSCCO S527408 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.1 CCCOCCCN CDS000217 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.1 CNCCCCCO PH007838 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.1 COCCCCCO PH003271 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.1 COCCOCCN CDS022898 [1,0,0,0,0,0|3,0,0]=4 33 B7R0.1 N#CCCCCCN PH014777 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.1 NCCCNCCO S446831 [1,0,0,0,0,0|1,0,1]=3 35 B7R0.1 NCCNCCCO CDS000635 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.1 OCCCNCCO S408409 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.4 C=C(Br)CCCCBr S881252 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.4 C=C=CCCC(=O)O CVT00110 [1,0,0,0,0,0|0,0,3]=4 39 B7R0.4 C=CCOCC(=O)O CDS023318 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.4 CC(=O)NCCCO OTV000276 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.4 CC(=O)OCCCS S786683 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.4 CC(O)CNCCN S438324 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.4 CCC/C=C/C(=O)C CDS001219 [1,0,0,0,0,0|1,0,2]=4 44 B7R0.4 CCC/C=C/C(=O)N PH008310 [1,0,0,0,0,0|1,0,2]=4 45 B7R0.4 CCCCCC(=N)N CBR01197 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.4 CCCCCC(C)Cl CDS000285 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.4 CCCCNC(=O)C CDS013581 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.4 CCCCNC(=S)N S565970 [1,0,0,0,0,0|2,1,0]=4 49 B7R0.4 CCCCSC(=N)N S500534 [1,0,0,0,0,0|3,0,0]=4 50 B7R0.4 CCCCSC(=N)N S557153 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.4 CCCNC[C@@H](C)O PH016360 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.4 CCO/C=C/C(=O)O CDS016341 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.4 CCOCCC(=N)N PH016244 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.4 CCOCCC(=O)O S448745 [1,0,0,0,0,0|1,0,0]=2 55 B7R0.4 CN(C)CCCCN CDS013751 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.4 CNCCCC(=O)O PH006886 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.4 COCCCC(=O)O CDS021485 [1,0,0,0,0,0|1,0,0]=2 58 B7R0.4 COCCCC(C)O S671169 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.4 CSCCCC(=O)O OTV000795 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.4 CSCCOC(=O)C S375721 [1,0,0,0,0,0|3,0,0]=4 61 B7R0.4 N#CCCCC(=O)O CDS007802 [1,0,0,0,0,0|0,0,2]=3 62 B7R0.4 N#CCSCC(=O)O EME00129 [1,0,0,0,0,0|1,0,2]=4 63 B7R0.4 NC(=O)CCCCO S441481 [1,0,0,0,0,0|2,0,0]=3 64 B7R0.4 NC(=O)COCCO S449792 [1,0,0,0,0,0|3,0,0]=4 65 B7R0.4 NCCNCC(=O)O CDS000144 [1,0,0,0,0,0|1,0,0]=2 66 B7R0.4 NCCOCC(=O)O T160229 [1,0,0,0,0,0|1,0,0]=2 67 B9R0.1 NCC(=O)NCCC(=O)O S601128 [0,1,0,0,0,0|1,0,1]=3 68 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [0,1,0,0,0,0|1,0,1]=3 69 B9R0.2 CCCNOCCC(=O)C S581321 [0,1,0,0,0,0|3,0,0]=4 70 B9R0.2 COCCCCCC(=O)O CBR00492 [0,1,0,0,0,0|1,0,0]=2 71 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,1,0,0,0,0|2,0,1]=4 72 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,1,0,0,0,0|2,0,1]=4 73 B9R0.4 CCCCC(N)CC(=O)O CBR00513 [0,1,0,0,0,0|1,0,0]=2 74 B9R0.38 CCCCCCS(=O)(=O)[O-] R426628 [0,1,0,0,0,0|2,0,1]=4 75 B9R0.46 CCCCC#CC(=O)OC PH000094 [0,1,0,0,0,0|1,0,2]=4 76 B9R0.46 CCCCCC/C(=N/O)/C S648302 [0,1,0,0,0,0|2,0,0]=3 77 B9R0.46 CCCCCNC(=O)CCl S627690 [0,1,0,0,0,0|3,0,0]=4 78 B9R0.46 COC(=O)CCCCCBr S125334 [0,1,0,0,0,0|1,0,0]=2 79 B9R0.47 CC(NCCC#N)C(=O)O S114073 [0,1,0,0,0,0|1,0,2]=4 80 B9R0.47 [C@@H](N)(CSCCO)C(=O)O PH010771 [0,1,0,0,0,0|2,0,0]=3 81 B9R0.48 CCC[C@H](C)CCC(=O)O PH008003 [0,1,0,0,0,0|1,0,0]=2 82 B9R0.48 NCCC(=O)NCC(=O)O S451169 [0,1,0,0,0,0|1,0,1]=3 83 B9R0.55 NC(=O)CSCCC(=O)O EME00025 [0,1,0,0,0,0|1,0,1]=3 84 B9R0.55 O=C(O)CCSCC(=O)O PH001934 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.55 O=C([O-])CCCCC(=O)[O-] S566012 [0,1,0,0,0,0|1,0,2]=4 86 B9R1.2 C=CC1CCCC(=O)O1 T220795 [0,0,0,1,0,0|1,0,1]=3 87 B9R1.2 CCC1COCC(=O)N1 CBR01631 [0,0,0,1,0,0|3,0,0]=4 88 B9R1.6 CC(=O)C1CCCCC1 PH000084 [0,0,0,1,0,0|2,0,0]=3 89 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [0,0,0,1,0,0|3,0,0]=4 90 B9R1.6 CC(C)C1CCCCN1 PH003734 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [0,0,0,1,0,0|1,0,0]=2 92 B9R1.6 O=C(Cl)C1CCOCC1 CDS016614 [0,0,0,1,0,0|3,0,0]=4 93 B9R1.6 O=C(Cl)C1CCOCC1 SYX00374 [0,0,0,1,0,0|3,0,0]=4 94 B9R1.6 O=C(O)C1=COCCC1 CDS022220 [0,0,0,1,0,0|2,0,1]=4 95 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [0,0,0,1,0,0|1,0,0]=2 96 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.6 O=C(O)C1CCSCN1 CBR00886 [0,0,0,1,0,0|1,0,0]=2 98 B9R1.6 O=C(O)C1CNCCN1 PH011527 [0,0,0,1,0,0|1,0,0]=2 99 B9R1.6 O=C(O)C1CNCCO1 CDS017627 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.13 CC(=O)CC1CCCC1 L162353 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.13 CC(=O)CC1OCCO1 S561088 [0,0,0,1,0,0|3,0,0]=4 102 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [0,0,0,1,0,0|3,0,0]=4 103 B9R1.13 CC(C)CC1CCCN1 CDS005695 [0,0,0,1,0,0|2,0,1]=4 104 B9R1.13 NC(=O)NC1CCCC1 S345148 [0,0,0,1,0,0|3,0,0]=4 105 B9R1.13 O=C(Cl)CC1CCCC1 CDS001438 [0,0,0,1,0,0|2,0,0]=3 106 B9R1.13 O=C(O)C=C1CCCC1 S757934 [0,0,0,1,0,0|1,0,2]=4 107 B9R1.13 O=C(O)CC1CCCO1 CDS001898 [0,0,0,1,0,0|1,0,0]=2 108 B9R1.13 O=C(O)CN1CCCC1 ANV00142 [0,0,0,1,0,0|2,0,0]=3 109 B9R1.13 O=C(O)CN1CCCC1 L481092 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.40 CC1(CCCCC1O)O S352799 [0,0,0,1,0,0|2,0,1]=4 111 B9R1.40 O=S1(=O)CCCCC1Cl T166502 [0,0,0,1,0,0|2,0,1]=4 112 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CDS009161 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.50 OC1CCCCCOC1 T168815 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.148 CC1(CCCCCC1)O S411949 [0,0,0,1,0,0|2,0,1]=4 115 B6R0.6 C=CCSCCC S357391 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.6 CCCCCSC S357952 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.6 CCCCNC=O S550981 [2,0,0,0,0,0|1,0,0]=3 118 B6R0.6 CCCSCCO S408859 [2,0,0,0,0,0|1,0,1]=4 119 B6R0.6 CCSCCCO PH017932 [2,0,0,0,0,0|1,0,1]=4 120 B6R0.6 COCCCC=O CDS022820 [2,0,0,0,0,0|1,0,0]=3 121 B6R0.6 COCCNC=O PH007296 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.6 FCCCCCBr CBR02103 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.6 NCCOCCN CDS000024 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.6 NCCSCCO S449539 [2,0,0,0,0,0|1,0,0]=3 125 B6R0.4 CCCCC(=N)N PH017352 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.4 CCCCC(=S)N PH000512 [2,0,0,0,0,0|1,1,0]=4 127 B6R0.4 CCCSC(=O)C CDS000298 [2,0,0,0,0,0|2,0,0]=4 128 B6R0.4 CCNCC(=O)N S877379 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.4 CCNCC(=O)N S986194 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.4 CCSCC(=O)C S614262 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.4 CNCCC(=O)O CDS013939 [2,0,0,0,0,0|1,0,0]=3 132 B6R0.4 CSCCC(=O)Cl CDS000414 [2,0,0,0,0,0|2,0,0]=4 133 B6R0.4 N#CCCC(=O)O CDS009069 [2,0,0,0,0,0|0,0,2]=4 134 B6R0.4 NC(=O)CCCCl OTV000845 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.4 O=C(O)CCCS CDS004545 [2,0,0,0,0,0|1,0,0]=3 136 B8R0.1 CCCC(O)CCCO S838322 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.4 C#CCCCCCCO SYX00205 [1,1,0,0,0,0|1,0,1]=4 138 B8R0.4 C(=C/CCCCCO)\C T264652 [1,1,0,0,0,0|2,0,0]=4 139 B8R0.4 C(=O)NCCOCCO S405213 [1,1,0,0,0,0|2,0,0]=4 140 B8R0.4 CCCCCSCCO S357928 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.4 CCNCCCCCO PH007898 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.4 CSCCCCCCO S931667 [1,1,0,0,0,0|1,0,1]=4 143 B8R0.4 NCCCOCCCN PH000107 [1,1,0,0,0,0|1,0,1]=4 144 B8R0.4 OCCCNCCCO PH010217 [1,1,0,0,0,0|1,0,1]=4 145 B8R0.6 O=CCCCC(O)C=O PH009970 [1,1,0,0,0,0|1,0,1]=4 146 B8R0.5 CCCC(=O)CC(=O)C S839566 [1,1,0,0,0,0|1,0,1]=4 147 B8R0.5 CCCC(N)CC(=O)O BBO000362 [1,1,0,0,0,0|0,0,0]=2 148 B8R0.8 CCC/C=C(\C)/C(=O)O CDS000408 [1,1,0,0,0,0|0,0,2]=4 149 B8R0.8 CCCCC(C)C(=O)Cl PH011486 [1,1,0,0,0,0|1,0,0]=3 150 B8R0.8 CCCCC(C)C(C)O S374199 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.8 CCCCC(N)C(=O)N CDS003890 [1,1,0,0,0,0|1,0,0]=3 152 B8R0.8 CSCCC(O)C(=O)O PH000120 [1,1,0,0,0,0|1,0,0]=3 153 B8R0.8 NCCCC(N)C(=O)O S594881 [1,1,0,0,0,0|0,0,0]=2 154 B8R0.8 [C@H](N)(CSCC)C(=O)O S361615 [1,1,0,0,0,0|1,0,0]=3 155 B8R0.9 CCC(=O)CCC(=O)O S574090 [1,1,0,0,0,0|0,0,1]=3 156 B8R0.9 NCC(=O)NCC(=O)O S456829 [1,1,0,0,0,0|1,0,1]=4 157 B8R0.21 CCCCCC(C)(C)O S431567 [1,1,0,0,0,0|1,0,1]=4 158 B8R0.21 CCCCCS(=O)(=O)O PH018433 [1,1,0,0,0,0|1,0,0]=3 159 B8R0.21 CCCCNS(=O)(=O)O R159344 [1,1,0,0,0,0|2,0,0]=4 160 B8R0.21 NCCCSS(=O)(=O)O PH007641 [1,1,0,0,0,0|2,0,0]=4 161 B8R0.28 CC(=O)CCCC(=O)N PH008391 [1,1,0,0,0,0|1,0,1]=4 162 B8R0.28 CC(=O)CCCC(C)C CDS000306 [1,1,0,0,0,0|1,0,0]=3 163 B8R0.28 CC(=O)CCCN(C)C PH014778 [1,1,0,0,0,0|2,0,0]=4 164 B8R0.28 CC(=O)CSCC(C)C EME00074 [1,1,0,0,0,0|2,0,0]=4 165 B8R0.28 CC(C)CCCC(=O)O CDS003381 [1,1,0,0,0,0|0,0,0]=2 166 B8R0.28 CC(C)COCC(=O)O CDS014100 [1,1,0,0,0,0|1,0,0]=3 167 B8R0.28 CC(C)NCCC(=O)N CDS021106 [1,1,0,0,0,0|2,0,0]=4 168 B8R0.28 N=C(N)SCCC(=O)O S351814 [1,1,0,0,0,0|1,0,1]=4 169 B8R0.28 NC(=O)CCCC(=O)O CBR00275 [1,1,0,0,0,0|0,0,1]=3 170 B8R0.28 NC(=O)COCC(=O)O CBR00075 [1,1,0,0,0,0|1,0,1]=4 171 B8R0.28 NC(=O)CSCC(=O)O EME00128 [1,1,0,0,0,0|1,0,1]=4 172 B8R0.28 NC(=S)SCCC(=O)O S347884 [1,1,0,0,0,0|1,0,1]=4 173 B10R0.3 CCOC(=O)CCCC(=O)O PH011452 [0,2,0,0,0,0|1,0,1]=4 174 B10R0.3 NCCC(=O)NCCC(=O)O PH009697 [0,2,0,0,0,0|0,0,1]=3 175 B10R0.44 CC[C@@H](C)C[C@H](N)CC(=O)O PH001846 [0,2,0,0,0,0|1,0,0]=3 176 B10R0.98 CC(CCCC(=O)O)C(=O)O T271314 [0,2,0,0,0,0|1,0,1]=4 177 B10R0.98 CC(N)C(=O)NCCC(=O)O S784141 [0,2,0,0,0,0|1,0,1]=4 178 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [0,2,0,0,0,0|1,0,0]=3 179 B10R0.4 CCCCCCC#CC(=O)O S354023 [0,2,0,0,0,0|1,0,0]=3 180 B10R0.4 CCCCCCCCC(=O)N S595268 [0,2,0,0,0,0|2,0,0]=4 181 B10R0.4 CCCCCCCNC(=O)C R704377 [0,2,0,0,0,0|2,0,0]=4 182 B10R0.4 CCCCCCCNC(=O)N S516643 [0,2,0,0,0,0|2,0,0]=4 183 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [0,2,0,0,0,0|2,0,0]=4 184 B10R0.55 COC(=O)CCCNC(=N)N S784184 [0,2,0,0,0,0|1,0,1]=4 185 B10R0.74 CCCCCCCC(=O)CC S544043 [0,2,0,0,0,0|2,0,0]=4 186 B10R0.74 CCCCCCCC(=O)NO CDS000528 [0,2,0,0,0,0|1,0,0]=3 187 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [0,2,0,0,0,0|1,0,1]=4 188 B10R0.74 CCCCCCNC(=O)NC S892793 [0,2,0,0,0,0|2,0,0]=4 189 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,2,0,0,0,0|2,0,0]=4 190 B10R0.75 CCCCCCC(=O)C(C)C S350575 [0,2,0,0,0,0|2,0,0]=4 191 B10R0.75 NCCCCCC(N)C(=O)O PH008399 [0,2,0,0,0,0|0,0,0]=2 192 B10R0.78 COCNC(N)CCC(=O)O R434884 [0,2,0,0,0,0|2,0,0]=4 193 B10R0.1 CCCNCCC(=O)OCC OTV000022 [0,2,0,0,0,0|2,0,0]=4 194 B10R0.83 COC(=O)C(Br)CCCCBr S943185 [0,2,0,0,0,0|1,0,0]=3 195 B10R0.42 C=CCCCC(C)(C)C(=O)O PH002545 [0,2,0,0,0,0|1,0,1]=4 196 B10R0.42 CCOCCC(C)(C)C(=O)O PH007502 [0,2,0,0,0,0|2,0,0]=4 197 B8R1.2 NCC1CCCCO1 CDS006458 [1,0,0,1,0,0|0,0,1]=3 198 B8R1.2 NCC1CCCCO1 CDS006719 [1,0,0,1,0,0|0,0,1]=3 199 B8R1.2 NCC1CCCNC1 CDS013586 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.2 O=CC1CCCCO1 CDS019507 [1,0,0,1,0,0|1,0,0]=3 201 B8R1.2 O=CC1CCNCC1 CDS013816 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.2 O=CC1CCOCC1 CDS020197 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.2 O=CC1CCSCC1 CDS020250 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.5 NC1CCCNC1=O CDS020148 [1,0,0,1,0,0|1,0,0]=3 205 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [1,0,0,1,0,0|0,0,1]=3 206 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [1,0,0,1,0,0|0,0,1]=3 207 B8R1.5 N[C@H]1CCCC[C@H]1N R750832 [1,0,0,1,0,0|1,0,1]=4 208 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [1,0,0,1,0,0|1,0,0]=3 209 B8R1.5 O=C1CCOCC1F SYX00096 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.5 OC1CCCCC1Br PH007482 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.8 CCCC1C=CCC1 R289795 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.8 NCCC1CCCC1 CDS008185 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.8 NCCC1CCCC1 T175072 [1,0,0,1,0,0|1,0,1]=4 214 B8R1.11 CCC1CCNC1=O CBR01663 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.11 CN1CCCC1CN CBR00699 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.11 N#CC1CCCC1=O CDS020714 [1,0,0,1,0,0|0,0,2]=4 217 B8R1.11 NN[C@@H]1CCC[C@H]1O CBR01625 [1,0,0,1,0,0|1,0,1]=4 218 B8R1.11 N[C@H]1CCC[C@H]1CO BBO000401 [1,0,0,1,0,0|0,0,1]=3 219 B8R1.11 O=C1CCCN1CO S362557 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.12 OCC1CCC1CO T182095 [1,0,0,1,0,0|1,0,1]=4 221 B8R1.12 [C@@H]1(CC[C@H]1CO)CO T181404 [1,0,0,1,0,0|1,0,1]=4 222 B8R1.22 CC1=NCCCCN1 S168785 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.22 CC1CCCCCO1 T168866 [1,0,0,1,0,0|1,0,1]=4 224 B8R1.22 O=C1CCSCCN1 SYX00233 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.22 O=C1CNCCCN1 CDS019453 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.22 OC1CCCCCO1 S866032 [1,0,0,1,0,0|1,0,1]=4 227 B8R1.22 S=C1NCCCCN1 PH000173 [1,0,0,1,0,0|1,1,0]=4 228 B8R1.1 CCC1CNC(=O)C1 CBR00057 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.1 CCC1COC(=O)N1 CBR02121 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.1 O=C1CCC(O1)CCl PH010125 [1,0,0,1,0,0|1,0,0]=3 232 B8R1.1 O=C1OCC(O1)CCl S416657 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.4 CC1CCOS(=O)O1 S359173 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.4 NC1=CC(=O)CCC1 S897639 [1,0,0,1,0,0|1,0,1]=4 235 B8R1.4 NC1CCNC(=O)C1 CDS024233 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.7 NC(=O)C1CCCC1 EME00440 [1,0,0,1,0,0|1,0,0]=3 237 B8R1.7 NC(=O)C1CCCN1 CDS008010 [1,0,0,1,0,0|1,0,0]=3 238 B8R1.7 O=C(O)C1CCNC1 CDS007406 [1,0,0,1,0,0|1,0,0]=3 239 B8R1.7 O=C(O)[C@@H]1CSCN1 PH000111 [1,0,0,1,0,0|1,0,0]=3 240 B8R1.7 S=C([S-])C1CCCN1 R128589 [1,0,0,1,0,0|0,2,0]=4 241 B8R1.19 CC1CCCS1(=O)=O S566659 [1,0,0,1,0,0|1,0,1]=4 242 B8R1.34 O=C(O)C=C1CCC1 T165123 [1,0,0,1,0,0|0,0,2]=4 243 B8R1.34 O=C(O)CC1CNC1 PHB00031 [1,0,0,1,0,0|1,0,0]=3 244 B8R1.35 O=C(O)/C=C\C1CC1 PH008009 [1,0,0,1,0,0|0,0,2]=4 245 B8R1.43 O=C(O)[C@H]1C[C@@H]1CBr PH016790 [1,0,0,1,0,0|1,0,0]=3 246 B10R1.13 CN1CCC(CC1)C(=O)O PH009778 [0,1,0,1,0,0|2,0,0]=4 247 B10R1.13 NC1CCC(CC1)C(=O)O CDS000161 [0,1,0,1,0,0|1,0,0]=3 248 B10R1.13 O=C(O)C1CCC(CC1)F MNO000187 [0,1,0,1,0,0|1,0,0]=3 249 B10R1.13 [C@@H]1(CC[C@H](CC1)C(=O)O)O ANV00233 [0,1,0,1,0,0|1,0,0]=3 250 B10R1.31 CCC1NC(CS1)C(=O)O S982571 [0,1,0,1,0,0|2,0,0]=4 251 B10R1.54 CN1CCC(C1)CC(=O)O CBR02303 [0,1,0,1,0,0|2,0,0]=4 252 B10R1.194 CC1C(=O)CCC1C(=O)O PH018686 [0,1,0,1,0,0|1,0,1]=4 253 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [0,1,0,1,0,0|1,0,0]=3 254 B10R1.16 C=CCCC1CCC(=O)C1 T221252 [0,1,0,1,0,0|2,0,0]=4 255 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.18 CC(=O)CN1CCCCC1 R433675 [0,1,0,1,0,0|2,0,0]=4 257 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [0,1,0,1,0,0|2,0,0]=4 258 B10R1.18 NC(=O)CC1CCCCN1 CDS022187 [0,1,0,1,0,0|1,0,0]=3 259 B10R1.18 NC(=O)CN1CCCCC1 OTV000055 [0,1,0,1,0,0|2,0,0]=4 260 B10R1.18 NC(=O)NC1CCCCC1 S375047 [0,1,0,1,0,0|2,0,0]=4 261 B10R1.18 O=C(O)CC1CCCCN1 R409952 [0,1,0,1,0,0|0,0,0]=2 262 B10R1.18 O=C(O)CC1CCCNC1 PH010234 [0,1,0,1,0,0|0,0,0]=2 263 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [0,1,0,1,0,0|1,0,0]=3 264 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [0,1,0,1,0,0|1,0,0]=3 265 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [0,1,0,1,0,0|1,0,0]=3 266 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [0,1,0,1,0,0|1,0,0]=3 267 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [0,1,0,1,0,0|1,0,0]=3 268 B10R1.18 O=C(O)CN1CCCCC1 L481130 [0,1,0,1,0,0|1,0,0]=3 269 B10R1.18 O=C(O)CN1CCOCC1 ANV00112 [0,1,0,1,0,0|2,0,0]=4 270 B10R1.18 O=C(O)CN1CCOCC1 CDS007579 [0,1,0,1,0,0|2,0,0]=4 271 B10R1.38 C[C@@]1(CCCC[C@H]1CN)O BBO000381 [0,1,0,1,0,0|1,0,1]=4 272 B10R1.39 CCN1CCC[C@H]1C(=O)O CBR01772 [0,1,0,1,0,0|1,0,0]=3 273 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [0,1,0,1,0,0|1,0,0]=3 274 B10R1.61 CC1C=CCCC1C(=O)O PH008388 [0,1,0,1,0,0|1,0,1]=4 275 B10R1.61 CC1CNCCC1C(=O)O CDS008293 [0,1,0,1,0,0|1,0,0]=3 276 B10R1.61 NC(=O)[C@@H]1CC=CC[C@@H]1N BBO000351 [0,1,0,1,0,0|1,0,1]=4 277 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N BBO000407 [0,1,0,1,0,0|1,0,0]=3 278 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O BBO000684 [0,1,0,1,0,0|0,0,1]=3 279 B10R1.61 N[C@H]1CC=CC[C@@H]1C(=O)O BBO000678 [0,1,0,1,0,0|0,0,1]=3 280 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O BBO000677 [0,1,0,1,0,0|0,0,1]=3 281 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [0,1,0,1,0,0|0,0,0]=2 282 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [0,1,0,1,0,0|1,0,0]=3 283 B10R1.61 O=C(O)C1CCCNC1=O CBR01770 [0,1,0,1,0,0|1,0,1]=4 284 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [0,1,0,1,0,0|1,0,0]=3 285 B10R1.64 CC(=O)CC1CCCC1=O L166758 [0,1,0,1,0,0|2,0,0]=4 286 B10R1.64 CN1CCCC1CC(=O)O PH018759 [0,1,0,1,0,0|0,0,0]=2 287 B10R1.64 CN1CCC[C@H]1CC(=O)O PH018830 [0,1,0,1,0,0|0,0,0]=2 288 B10R1.64 O=C(O)CN1CCCC1=O PH009795 [0,1,0,1,0,0|1,0,1]=4 289 B10R1.66 O=C(O)C/N=C/1\CCCN1 R101699 [0,1,0,1,0,0|0,0,1]=3 290 B10R1.66 O=C(O)CCN1CCCC1 CDS002325 [0,1,0,1,0,0|1,0,0]=3 291 B10R1.66 O=C(O)CCN1CCCO1 CBR00808 [0,1,0,1,0,0|1,0,0]=3 292 B10R1.66 O=C(O)CSC1=NCCN1 R646504 [0,1,0,1,0,0|1,0,1]=4 293 B10R1.78 O=C1C=CCCCCCC1 L169854 [0,1,0,1,0,0|2,0,0]=4 294 B10R1.162 COC1=NC(CCCC1)C PH007837 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.348 O=C(O)C1CCC=CCC1 T165824 [0,1,0,1,0,0|1,0,1]=4 296 B10R1.28 O=S(=O)(O)C1CCCCC1 PH018131 [0,1,0,1,0,0|2,0,0]=4 297 B10R1.7 C=C1CCCCCCC1O T181676 [0,1,0,1,0,0|2,0,0]=4 298 B10R1.7 C=C1CCCCCCC1O T232742 [0,1,0,1,0,0|2,0,0]=4 299 B10R1.7 CC1CCCCCCC1=O S53075 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.15 COC(=O)C1CNCCO1 CDS024237 [0,1,0,1,0,0|2,0,0]=4 301 B10R1.15 COC(=O)[C@@H]1CCCNC1 CDS019515 [0,1,0,1,0,0|2,0,0]=4 302 B10R1.15 NNC(=O)C1CCCCC1 R703435 [0,1,0,1,0,0|2,0,0]=4 303 B10R1.27 COC(=O)CC1CCNC1 CBR02412 [0,1,0,1,0,0|2,0,0]=4 304 B10R1.94 CCCC1=C(C(=O)CC1)O PH008317 [0,1,0,1,0,0|1,0,1]=4 305 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N BBO000403 [0,1,0,1,0,0|0,0,0]=2 306 B10R1.275 CN1CCCC[C@@H](C1=O)N CDS014105 [0,1,0,1,0,0|2,0,0]=4 307 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 PH016094 [0,1,0,1,0,0|1,0,0]=3 308 B10R1.23 N[C@H](C(=O)O)C1CCCC1 PH009812 [0,1,0,1,0,0|1,0,0]=3 309 B10R1.113 CC(=O)N1CCCC(C1)N CBR00904 [0,1,0,1,0,0|2,0,0]=4 310 B10R1.113 CC(C)C1CCCC(=O)C1 S883786 [0,1,0,1,0,0|2,0,0]=4 311 B10R1.113 CN1CCCC(C1)C(=O)O CDS003577 [0,1,0,1,0,0|2,0,0]=4 312 B10R1.113 CN1CCCC(C1)C(=O)O CDS015858 [0,1,0,1,0,0|2,0,0]=4 313 B10R1.113 CN1CCNC(C1)C(=O)O CBR02466 [0,1,0,1,0,0|1,0,0]=3 314 B10R1.113 CN1CCOC(C1)C(=O)O CDS009752 [0,1,0,1,0,0|2,0,0]=4 315 B10R1.113 NC(=O)[C@H]1CCC[C@@H](C1)N CDS023691 [0,1,0,1,0,0|1,0,0]=3 316 B10R1.113 NC1CCCC(C1)C(=O)O CDS000338 [0,1,0,1,0,0|0,0,0]=2 317 B10R1.113 O=C(O)C1CNCC(C1)O CDS021813 [0,1,0,1,0,0|2,0,0]=4 318 B10R1.113 O=C1CCCC(N1)C(=O)O CDS003761 [0,1,0,1,0,0|0,0,1]=3 319 B10R1.131 CCCC1OC(=O)C(O1)C S397873 [0,1,0,1,0,0|2,0,0]=4 320 B10R1.363 CC1(CCCCC1)C(=O)Cl S662380 [0,1,0,1,0,0|2,0,0]=4 321 B10R1.363 CC1(CCCNC1)C(=O)O CBR01687 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.363 CC1(CCCNC1)C(=O)O PHB00204 [0,1,0,1,0,0|2,0,0]=4 323 B10R1.363 CC1(CCNCC1)C(=O)O CBR01543 [0,1,0,1,0,0|2,0,0]=4 324 B10R1.363 C[C@]1(C=CCCC1)C(=O)O T286788 [0,1,0,1,0,0|1,0,1]=4 325 B10R1.363 NC(=O)C1(CCCCC1)Cl PH007086 [0,1,0,1,0,0|2,0,0]=4 326 B10R1.363 NC(=O)C1(CCCCC1)N CBR01964 [0,1,0,1,0,0|2,0,0]=4 327 B10R1.363 NC1(CCCCC1)C(=O)O S235024 [0,1,0,1,0,0|1,0,0]=3 328 B10R1.363 O=C(O)C1(CCNCC1)O CBR01688 [0,1,0,1,0,0|2,0,0]=4 329 B10R2.61 O=C1CC2CCCC1C2 T289124 [0,0,0,2,0,0|2,0,0]=4 330 B10R2.62 O=C1NC2CCC1CC2 PH001109 [0,0,0,2,0,0|2,0,0]=4 331 B10R2.62 O=C1OC2CCC1CC2 PH008267 [0,0,0,2,0,0|1,0,0]=3 332 B10R2.62 [C@H]12CC[C@H](NC1)C(=O)O2 PH016451 [0,0,0,2,0,0|0,0,0]=2 333 B10R2.320 O=C1NC2C1CCCC2 T281948 [0,0,0,2,0,0|2,0,0]=4 334 B10R2.351 O=C(O)C1C2C1CC=C2 T188301 [0,0,0,2,0,0|1,0,1]=4 335 B10R2.32 [C@@H]12CCC[C@@H]1C(=O)CC2 T298077 [0,0,0,2,0,0|2,0,0]=4 336 B10R2.37 [C@@H]12C=CC(=O)CC[C@@H]1C2 T169374 [0,0,0,2,0,0|2,0,0]=4 337 B10R2.37 [C@@H]12CCC(=O)CC[C@@H]1C2 T181390 [0,0,0,2,0,0|2,0,0]=4 338 B10R2.42 O=C1OC(=O)C2C1CC2 T169056 [0,0,0,2,0,0|1,0,1]=4 339 B10R2.42 [C@H]12CC[C@H]1C(=O)OC2=O T181250 [0,0,0,2,0,0|1,0,1]=4