0 B7R0.3 C#CC(=O)OCC=C PH008724 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.3 C(=C(/C)\CC)\CCO T295590 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.3 C(=O)C(=C)CCCC R425885 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 C=C(CC)CCCC CDS000215 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.3 C=CCOC(=O)C=C S459836 [0,0,0,0,0,0|0,0,4]=4 5 B7R0.3 C=CCOC(=O)CBr PH008698 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.3 CC(CN)OCCO PH007420 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.3 CCC#CC(=O)OC T242845 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.3 CCCCC(N)CC CDS021471 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.3 CCCNC(=O)CCl OTV000047 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.3 CCCNC(=S)NC S512176 [0,0,0,0,0,0|2,1,0]=3 11 B7R0.3 CCCN[C@@H](C)CO PH014617 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.3 CCCN[C@H](C)CO PH014618 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.3 CCCOC(=O)CBr PH011324 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.3 CCCOC(=O)CCl S431443 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.3 CCCOC(=O)CN PH019063 [0,0,0,0,0,0|1,0,0]=1 16 B7R0.3 CCCSC(C)CC S570672 [0,0,0,0,0,0|1,1,1]=3 17 B7R0.3 CCOCC(=O)OC EME00071 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.3 CCSCS(=O)CC S697834 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.3 CNC(=O)OCCCl L163082 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.3 CNC(=O)OCCO S392650 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.3 CNCCC(=O)NC CBR01261 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.3 COC(=O)CCC#N S369640 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.3 COCCC(=O)NN CDS018970 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.3 NNC(=O)CCCO CDS001562 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.3 NNC(=O)OCCO S749680 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.1 C=C(CO)CCO T293814 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.1 CC/C=C(\C)/CC R289574 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.1 CC/C=C(\C)/CC R289582 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.1 CC/C=C(\C)/CO S888702 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.1 CCC(=O)COC CDS024044 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.1 CCC(=O)OCS PH000959 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.1 CCC(C)CCN CBR00385 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.1 CCCC(C)NC PH018184 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.1 CCCC(N)CC CBR01120 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.1 CCNC(=O)CBr CBR01984 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.1 CCNC(=O)CCl TMT00299 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.1 CCNC(C)CC CBR00870 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.1 CCOC(=O)NC PH010865 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.1 CCOC(=O)N[O-] S859273 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.1 CCOC(=S)S[TlH2] S828327 [1,0,0,0,0,0|2,1,0]=4 41 B6R0.1 CCSC(=O)CC CDS001498 [1,0,0,0,0,0|0,1,0]=2 42 B6R0.1 CC[C@H](N)COC PH019017 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.1 CNCC(=O)NC CBR00235 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.1 CNCC(=O)OC PH006931 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.1 [Li]OC(=O)CCC S813958 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.4 C=CCNC(=O)C EME00415 [1,0,0,0,0,0|1,0,2]=4 47 B6R0.4 CC(=O)NCCCl CDS001220 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.4 CC(=O)OCCS S363049 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.4 CC(C)OCCN CDS000373 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.4 CC/C=C/C(=O)Cl PH009861 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.4 CCC#CC(=O)C CDS000006 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.4 CCCC=C(C)C S419117 [1,0,0,0,0,0|2,0,0]=3 53 B6R0.4 CCCCC(=N)N PH017352 [1,0,0,0,0,0|3,0,0]=4 54 B6R0.4 CCCCC(=S)N PH000512 [1,0,0,0,0,0|2,1,0]=4 55 B6R0.4 CCCNC(=N)N L254797 [1,0,0,0,0,0|3,0,0]=4 56 B6R0.4 CCCSC(=O)C CDS000298 [1,0,0,0,0,0|0,1,0]=2 57 B6R0.4 CCCSC(C)C S570702 [1,0,0,0,0,0|1,1,1]=4 58 B6R0.4 CCNCC(=O)N S877379 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.4 CCNCC(=O)N S986194 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.4 CCSCC(=O)C S614262 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.4 CNCCC(=O)O CDS013939 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.4 CSCCC(=O)Cl CDS000414 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.4 NC(=O)CCCCl OTV000845 [1,0,0,0,0,0|3,0,0]=4 64 B6R0.4 NC(=O)NCCCl CDS000493 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.4 O=C(O)CCCS CDS004545 [1,0,0,0,0,0|3,0,0]=4 66 B6R0.6 CCCCCSC S357952 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.6 CCCNCCC R580155 [1,0,0,0,0,0|1,0,1]=3 68 B6R0.6 CCCOCC#N PH011429 [1,0,0,0,0,0|1,0,2]=4 69 B6R0.6 CCCSCCO S408859 [1,0,0,0,0,0|1,1,1]=4 70 B6R0.6 CCSCCCO PH017932 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.6 CCS[PbH2]SCC S550000 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.6 NCCOCCN CDS000024 [1,0,0,0,0,0|2,0,1]=4 73 B8R0.1 C#CCNC(=O)CCCl S893137 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.1 C#CCNC(=O)COC CDS023428 [0,1,0,0,0,0|1,0,2]=4 75 B8R0.1 C(=C/C(=O)OCC=C)\C S357375 [0,1,0,0,0,0|0,0,3]=4 76 B8R0.1 C=CCNC(=O)OCC S361445 [0,1,0,0,0,0|1,0,2]=4 77 B8R0.1 CC=CC(=O)NCCC T173770 [0,1,0,0,0,0|1,0,1]=3 78 B8R0.1 CCCCC(=O)CCC S456489 [0,1,0,0,0,0|1,0,0]=2 79 B8R0.1 CCCCN(C)CCN PH014575 [0,1,0,0,0,0|3,0,0]=4 80 B8R0.1 CCCCN(C)CCO PH017931 [0,1,0,0,0,0|3,0,0]=4 81 B8R0.1 CCCNC(=O)NCC S805858 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.1 CCCNC(=O)OCC S361909 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.1 CCOC(=O)CCC#N PH003642 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.1 CCOC(=O)CCOC CDS025273 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.1 CCOC(=O)NCCO S391980 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.1 N#CCC(=O)NCCO S550701 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.3 CCCC(=O)C(Br)CC PH011136 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.3 CCCC(O)C(=O)CC PH008572 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.3 CCCC(O)C(C)CC S412430 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.6 C#CCCCC(=O)OC T287598 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.6 C=CC(=O)OCCCC S444715 [0,1,0,0,0,0|0,0,2]=3 93 B8R0.6 CCC/C=C/C(=O)OC R436038 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.6 CCCCCC(=O)NN S849049 [0,1,0,0,0,0|3,0,0]=4 95 B8R0.6 CCCCCC(=O)SC CDS010601 [0,1,0,0,0,0|2,0,0]=3 96 B8R0.6 CCCCNC(=O)CCl TMT00394 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.6 CCCCNC(=O)OC S352683 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.6 CCCCOC(=O)CCl S431451 [0,1,0,0,0,0|1,0,0]=2 99 B8R0.6 CCCCOC(=O)CS S436992 [0,1,0,0,0,0|1,0,0]=2 100 B8R0.6 CCCCSC(C)CC S570613 [0,1,0,0,0,0|1,1,1]=4 101 B8R0.6 CCOCCC(=O)OC PH000125 [0,1,0,0,0,0|2,0,0]=3 102 B8R0.6 CCOCCC(O)CC S347981 [0,1,0,0,0,0|1,0,2]=4 103 B8R0.6 CCSCCC(=O)OC S365688 [0,1,0,0,0,0|2,0,0]=3 104 B8R0.6 COC(=O)NCCC#N T284297 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.8 CCCCC(=O)N(C)C S939811 [0,1,0,0,0,0|2,0,0]=3 106 B8R0.8 CCCCC(C)C(C)O S374199 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.8 CN(C)C(=O)CCCN CBR00927 [0,1,0,0,0,0|3,0,0]=4 108 B8R0.8 COCCC(=O)C(C)C CDS024032 [0,1,0,0,0,0|2,0,0]=3 109 B8R0.9 C=C(C)CNC(=O)CCl PH008781 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.9 C=CC(=O)OCC(C)O S511951 [0,1,0,0,0,0|0,0,2]=3 111 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [0,1,0,0,0,0|2,0,0]=3 112 B8R0.9 CCC(=O)CCC(=O)O S574090 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.9 CCC(=O)COC(=O)C S362409 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.9 CCC(O)CCC(C)C CDS000278 [0,1,0,0,0,0|1,0,2]=4 115 B8R0.11 CCCCC(CC)CCl S431516 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.11 CCCCC(CC)CN CDS000347 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.19 CCC(C)CC(O)CC S430854 [0,1,0,0,0,0|1,0,2]=4 118 B8R0.19 CCC(C)NC(=O)CCl OTV000953 [0,1,0,0,0,0|2,0,0]=3 119 B8R0.19 CCC(C)NC(=O)NC S724750 [0,1,0,0,0,0|2,0,0]=3 120 B8R0.25 CCCCC(C)(O)CC S433217 [0,1,0,0,0,0|1,0,2]=4 121 B8R0.25 CCCCS(=O)(=O)CC S775738 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.1 CCC1CCC(C1)C R289752 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.1 CCC1CNC(=O)C1 CBR00057 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.1 CCC1COC(=O)N1 CBR02121 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.1 O=C1CC(CN1)CO CDS002555 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.1 O=C1CCC(O1)CCl PH010125 [0,0,0,1,0,0|1,0,0]=2 128 B8R1.1 O=C1OCC(O1)CCl S416657 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.2 CCC1=NCCCS1 PH008217 [0,0,0,1,0,0|1,1,0]=3 130 B8R1.2 CCC1=NOCCO1 PH016313 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.2 CCC1CNCCO1 CDS009046 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.2 CCC1NCCCS1 T149683 [0,0,0,1,0,0|1,1,1]=4 133 B8R1.2 ClCC1OCCCO1 S866008 [0,0,0,1,0,0|1,0,2]=4 134 B8R1.2 NCC1=CCCCC1 CBR00863 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.2 NCC1CCCCO1 CDS006458 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.2 NCC1CCCCO1 CDS006719 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.3 CC1=CCC(CC1)Cl S109576 [0,0,0,1,0,0|3,0,0]=4 138 B8R1.3 CC1=NNC(=O)CC1 R750921 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.3 CC1CCC(CC1)Br CDS001451 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.3 CC1CCC(CC1)N T138053 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.3 C[C@H]1CC[C@@H](CC1)N CDS019932 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.3 NC1CCC(=O)CC1 CDS009700 [0,0,0,1,0,0|2,0,0]=3 143 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.3 O=C1CCC(CC1)O T292184 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.5 CC1SCCNC1=O R305707 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.5 NC1CCCNC1=O CDS020148 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.5 O=C1CCOCC1F SYX00096 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.5 OC1CCCC=C1Br T272590 [0,0,0,1,0,0|3,0,0]=4 151 B8R1.22 CC1=NCCCCN1 S168785 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.22 CC1CCCCCO1 T168866 [0,0,0,1,0,0|1,0,1]=3 153 B8R1.22 O=C1CCSCCN1 SYX00233 [0,0,0,1,0,0|2,0,0]=3 154 B8R1.22 O=C1CNCCCN1 CDS019453 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.22 O=C1CSCCSC1 CBR01192 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.22 OC1CCCCCO1 S866032 [0,0,0,1,0,0|0,0,2]=3 157 B8R1.22 S=C1NCCCCN1 PH000173 [0,0,0,1,0,0|2,1,0]=4 158 B8R1.38 COC(=O)C1CCC1 S851957 [0,0,0,1,0,0|2,0,0]=3 159 B8R1.38 COC(=O)C1CNC1 CDS005119 [0,0,0,1,0,0|3,0,0]=4 160 B8R1.38 NNC(=O)C1CCC1 CBR00212 [0,0,0,1,0,0|3,0,0]=4 161 B8R1.40 CO/C(=N/C1CC1)/C T199370 [0,0,0,1,0,0|3,0,0]=4 162 B8R1.40 NCC(=O)NC1CC1 CBR00910 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.50 CC1=NOC(=O)C1C PH007712 [0,0,0,1,0,0|1,0,1]=3 164 B8R1.50 CC1C(=O)COC1=O S839418 [0,0,0,1,0,0|1,0,1]=3 165 B8R1.50 C[C@H]1[C@@H](CC[C@H]1O)C T297410 [0,0,0,1,0,0|1,0,2]=4 166 B8R1.83 COC(=O)C1CC1C EME00059 [0,0,0,1,0,0|2,0,0]=3 167 B5R0.1 C=C(C)CSC S866024 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.1 C=COC(=O)C S458201 [2,0,0,0,0,0|0,0,2]=4 169 B5R0.1 CC(=O)CCN OTV000740 [2,0,0,0,0,0|1,0,0]=3 170 B5R0.1 CCOC(=S)N PH003667 [2,0,0,0,0,0|1,1,0]=4 171 B5R0.1 CCOC(=S)[S-] R464988 [2,0,0,0,0,0|1,1,0]=4 172 B5R0.1 CCOC(=S)[S-] R533475 [2,0,0,0,0,0|1,1,0]=4 173 B5R0.1 CNCC(=O)C CBR02406 [2,0,0,0,0,0|1,0,0]=3 174 B5R0.1 COCC(=O)N S371874 [2,0,0,0,0,0|2,0,0]=4 175 B5R0.1 NCCC(=O)N CDS000027 [2,0,0,0,0,0|2,0,0]=4 176 B5R0.2 CCC/C=N/O S429139 [2,0,0,0,0,0|2,0,0]=4 177 B5R0.2 CCCCSC S447420 [2,0,0,0,0,0|1,0,1]=4 178 B5R0.2 CCCNCC CDS000615 [2,0,0,0,0,0|1,0,0]=3 179 B5R0.2 CCCOCC CDS000380 [2,0,0,0,0,0|0,0,0]=2 180 B5R0.2 CCNNCC S814563 [2,0,0,0,0,0|2,0,0]=4 181 B5R0.2 CCOCCN CDS000379 [2,0,0,0,0,0|1,0,0]=3 182 B5R0.2 CCSCCO PH011451 [2,0,0,0,0,0|1,1,0]=4 183 B5R0.3 CCC(=O)CO R277614 [2,0,0,0,0,0|1,0,0]=3 184 B5R0.3 CCC(N)CC TMT00064 [2,0,0,0,0,0|1,0,1]=4 185 B5R0.3 CCN(O)CC S623067 [2,0,0,0,0,0|1,0,1]=4 186 B5R0.3 CC[Tl](Br)CC S837075 [2,0,0,0,0,0|2,0,0]=4 187 B5R0.3 CC[Tl](I)CC S837083 [2,0,0,0,0,0|2,0,0]=4 188 B5R0.3 CNC(=O)CCl OTV000964 [2,0,0,0,0,0|2,0,0]=4 189 B7R0.2 C=C(CO)CC(C)C T296279 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.2 CC(C)CC(=O)C#N R260371 [1,1,0,0,0,0|1,0,1]=4 191 B7R0.2 CC(C)OC(=O)CS S593931 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.2 CC(C)OC(=O)NF PH009513 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.2 CCC(=O)OC(C)C CDS000574 [1,1,0,0,0,0|0,0,0]=2 194 B7R0.2 CCC(O)CC(C)C S447455 [1,1,0,0,0,0|0,0,2]=4 195 B7R0.2 CCC(O)CC(C)O PH001987 [1,1,0,0,0,0|0,0,2]=4 196 B7R0.2 COC(=O)CC(C)Cl S559458 [1,1,0,0,0,0|1,0,0]=3 197 B7R0.2 COC(=O)NC(C)C PH006940 [1,1,0,0,0,0|2,0,0]=4 198 B7R0.5 C=C(CCC)C(C)C R289221 [1,1,0,0,0,0|1,0,0]=3 199 B7R0.5 CC/C=C(\C)/C(C)C R289558 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.5 CCCC(=C(C)C)C R289469 [1,1,0,0,0,0|1,0,1]=4 201 B7R0.5 CCCC(C)C(C)O S433373 [1,1,0,0,0,0|1,0,1]=4 202 B7R0.5 CCOC(=O)C(Br)Br PH011431 [1,1,0,0,0,0|1,0,0]=3 203 B7R0.5 CCOC(=O)C(C)N CDS015013 [1,1,0,0,0,0|0,0,0]=2 204 B7R0.5 CCOC(=O)N(C)C PH001938 [1,1,0,0,0,0|1,0,0]=3 205 B7R0.5 CCOC(=O)N(C)N PH007944 [1,1,0,0,0,0|1,0,0]=3 206 B7R0.5 CN(C)C(=O)CCN CBR00920 [1,1,0,0,0,0|2,0,0]=4 207 B7R0.5 CNCC(=O)N(C)C CDS007544 [1,1,0,0,0,0|2,0,0]=4 208 B7R0.5 COCC(=O)C(C)C CDS024045 [1,1,0,0,0,0|1,0,0]=3 209 B7R0.5 CSCC(=O)N(C)C PH007257 [1,1,0,0,0,0|2,0,0]=4 210 B7R0.7 CCCC(Cl)CCC S563323 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.7 CCCC(S)CCO CDS001520 [1,1,0,0,0,0|0,1,1]=4 212 B7R0.7 CCCS(=O)CCC S440973 [1,1,0,0,0,0|1,0,0]=3 213 B7R0.7 CCNC(=O)CC#N OTV000131 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.7 CCOC(=O)CCI T255378 [1,1,0,0,0,0|0,0,0]=2 215 B7R0.7 CCOC(=O)CNC PH000310 [1,1,0,0,0,0|0,0,0]=2 216 B7R0.7 CCOC(=O)CNN CDS009912 [1,1,0,0,0,0|1,0,0]=3 217 B7R0.7 CCOC(=O)NNC PH007943 [1,1,0,0,0,0|1,0,0]=3 218 B7R0.7 CCOC(=O)NOC PH005154 [1,1,0,0,0,0|1,0,0]=3 219 B7R0.7 CCOC(C)CCO S322008 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.7 CCOC(C)CNC CBR01487 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.7 CCSC(=O)SCC S189634 [1,1,0,0,0,0|0,1,0]=3 222 B7R0.10 CCC(=O)C(O)CC CDS000463 [1,1,0,0,0,0|0,0,0]=2 223 B7R0.10 CNC(C)C(=O)OC CBR01417 [1,1,0,0,0,0|2,0,0]=4 224 B7R0.10 CN[C@@H](C)C(=O)OC CDS015644 [1,1,0,0,0,0|2,0,0]=4 225 B7R0.10 COC(=O)[C@H](N)CS PH013124 [1,1,0,0,0,0|2,0,0]=4 226 B7R0.10 [C@H](O)(CO)C(=O)CO R426385 [1,1,0,0,0,0|2,0,0]=4 227 B7R0.11 CCCC(C)(C)CC R289418 [1,1,0,0,0,0|1,0,1]=4 228 B7R0.11 CCCC(C)(O)CC S426865 [1,1,0,0,0,0|0,0,2]=4 229 B7R0.11 CCC[N+](C)(C)CC S765708 [1,1,0,0,0,0|2,0,0]=4 230 B7R0.11 CCS(=O)(=O)CCCl CDS011744 [1,1,0,0,0,0|2,0,0]=4 231 B7R0.11 CCS(=O)(=O)CCN CBR00923 [1,1,0,0,0,0|2,0,0]=4 232 B7R0.11 CCS(=O)(=O)CCO PH010969 [1,1,0,0,0,0|2,0,0]=4 233 B7R0.12 CCOC(CC)CN CBR01063 [1,1,0,0,0,0|1,0,1]=4 234 B7R0.4 C#CCOCC(=O)C S38874 [1,1,0,0,0,0|0,0,2]=4 235 B7R0.4 C/C(=C\CCCBr)/Br S877557 [1,1,0,0,0,0|2,0,0]=4 236 B7R0.4 C=CCCOC(=O)C S510343 [1,1,0,0,0,0|0,0,1]=3 237 B7R0.4 CC(=O)NCCCO OTV000276 [1,1,0,0,0,0|1,0,0]=3 238 B7R0.4 CC(=O)OCCCS S786683 [1,1,0,0,0,0|0,0,0]=2 239 B7R0.4 CC(C)OCCCO CBR02059 [1,1,0,0,0,0|1,0,1]=4 240 B7R0.4 CCC/C=C/C(=O)C CDS001219 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.4 CCC/C=C/C(=O)N PH008310 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.4 CCCCNC(=O)C CDS013581 [1,1,0,0,0,0|1,0,0]=3 243 B7R0.4 CCOCCC(=O)O S448745 [1,1,0,0,0,0|2,0,0]=4 244 B7R0.4 CNCCCC(=O)O PH006886 [1,1,0,0,0,0|2,0,0]=4 245 B7R0.4 COCCCC(=O)O CDS021485 [1,1,0,0,0,0|2,0,0]=4 246 B7R0.4 CSCCCC(=O)O OTV000795 [1,1,0,0,0,0|2,0,0]=4 247 B7R0.4 CSCCOC(=O)C S375721 [1,1,0,0,0,0|0,0,0]=2 248 B7R0.4 NC(=O)CCCCO S441481 [1,1,0,0,0,0|2,0,0]=4 249 B7R0.4 NC(=O)COCCO S449792 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.4 NCCOCC(=O)O T160229 [1,1,0,0,0,0|2,0,0]=4 251 B7R0.6 C=C(C)COC(=O)N S352055 [1,1,0,0,0,0|1,0,1]=4 252 B7R0.6 CC(=O)SCC(Cl)Cl S340472 [1,1,0,0,0,0|1,1,0]=4 253 B7R0.6 CC(C)CCC(=O)Cl PH015411 [1,1,0,0,0,0|2,0,0]=4 254 B7R0.6 CC(C)COC(=O)N S362840 [1,1,0,0,0,0|1,0,0]=3 255 B7R0.1 C/C=C\CCCCO S310700 [1,1,0,0,0,0|1,0,1]=4 256 B7R0.1 CCCCSCCC S367192 [1,1,0,0,0,0|0,1,1]=4 257 B7R0.1 CCCCSCCO S527408 [1,1,0,0,0,0|2,0,0]=4 258 B7R0.1 CCCOCCCN CDS000217 [1,1,0,0,0,0|0,0,1]=3 259 B7R0.1 CCSCCSCC S347876 [1,1,0,0,0,0|2,0,0]=4 260 B7R0.1 COCC/C=C/CCl S359556 [1,1,0,0,0,0|2,0,0]=4 261 B7R0.1 COCCOCCN CDS022898 [1,1,0,0,0,0|1,0,1]=4 262 B9R0.4 CC(=O)CC(=O)OCCCl PH003373 [0,2,0,0,0,0|1,0,0]=3 263 B9R0.4 CC(C)NC(=O)NCCCl R592358 [0,2,0,0,0,0|2,0,0]=4 264 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,2,0,0,0,0|1,0,0]=3 265 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,2,0,0,0,0|1,0,0]=3 266 B9R0.4 CCCNC(=O)CC(=O)C R466107 [0,2,0,0,0,0|1,0,0]=3 267 B9R0.4 CCCOC(=O)CC(=O)C CDS000562 [0,2,0,0,0,0|0,0,0]=2 268 B9R0.4 CCCOC(=O)N[N+](=O)[O-] R647373 [0,2,0,0,0,0|2,0,0]=4 269 B9R0.5 C=CCONC(=O)OCC T300969 [0,2,0,0,0,0|0,0,2]=4 270 B9R0.5 CCCCCC(=O)CCC S411825 [0,2,0,0,0,0|1,0,0]=3 271 B9R0.5 CCCCNC(=O)CC#N PH010800 [0,2,0,0,0,0|1,0,1]=4 272 B9R0.5 CCCCNC(=O)CCC EME00389 [0,2,0,0,0,0|1,0,0]=3 273 B9R0.5 CCCCNC(=O)CNC CBR01986 [0,2,0,0,0,0|1,0,0]=3 274 B9R0.5 CCCCNC(=O)NCC S802077 [0,2,0,0,0,0|1,0,0]=3 275 B9R0.5 CCCCNC(=O)OCC S406988 [0,2,0,0,0,0|1,0,0]=3 276 B9R0.5 CCCCOC(C)OCC S240214 [0,2,0,0,0,0|1,0,1]=4 277 B9R0.5 CCNC(=O)NCCCO S804738 [0,2,0,0,0,0|1,0,0]=3 278 B9R0.5 CCNC(=O)NCCOC S804746 [0,2,0,0,0,0|1,0,0]=3 279 B9R0.5 CCOC(=O)CCCCI S677175 [0,2,0,0,0,0|1,0,0]=3 280 B9R0.5 CCOC(=O)CCCCN CDS023812 [0,2,0,0,0,0|1,0,0]=3 281 B9R0.5 CCOC(=O)NCCCBr PH001320 [0,2,0,0,0,0|1,0,0]=3 282 B9R0.5 CCOC(C)OCCCBr T204005 [0,2,0,0,0,0|1,0,1]=4 283 B9R0.5 [C-]#[N+]CCCC(=O)OCC PH015035 [0,2,0,0,0,0|1,0,1]=4 284 B9R0.8 CCCCC(=O)C(C)CC S431486 [0,2,0,0,0,0|1,0,0]=3 285 B9R0.8 CCCOC(=O)C(C)CC CDS000542 [0,2,0,0,0,0|0,0,0]=2 286 B9R0.18 CCCNC(=S)NCCC S521264 [0,2,0,0,0,0|1,1,0]=4 287 B9R0.18 O=C(CCCO)NCCO PH008175 [0,2,0,0,0,0|2,0,0]=4 288 B9R0.18 O=C(NCCCl)OCCCl R416347 [0,2,0,0,0,0|1,0,0]=3 289 B9R0.18 [NH2+](CC)CC(=O)OCC=C R240648 [0,2,0,0,0,0|0,0,2]=4 290 B9R0.35 CCCC(=O)C(O)CCC S705500 [0,2,0,0,0,0|1,0,0]=3 291 B9R0.35 CCC[C@H](N)C(=O)OCC CDS021016 [0,2,0,0,0,0|1,0,0]=3 292 B9R0.35 CCNC(=O)C(=O)NCC L158526 [0,2,0,0,0,0|2,0,0]=4 293 B9R0.40 CCCCN(C=O)CCO PH000614 [0,2,0,0,0,0|2,0,0]=4 294 B9R0.48 C=C(C)CNC(=O)NCC S805793 [0,2,0,0,0,0|1,0,1]=4 295 B9R0.48 C=C(C)CNC(=O)OCC S36022 [0,2,0,0,0,0|1,0,1]=4 296 B9R0.48 CCOC(C)OCC(C)C CDS018832 [0,2,0,0,0,0|1,0,1]=4 297 B9R0.6 CCCC(C)C(=O)C(C)C S433179 [0,2,0,0,0,0|1,0,0]=3 298 B9R0.19 CCCC(Cl)S(=O)(=O)CC T163775 [0,2,0,0,0,0|2,0,0]=4 299 B9R0.23 COC(=O)[C@@H](N)CC(C)C PH010827 [0,2,0,0,0,0|2,0,0]=4 300 B9R0.27 CCC(C)C(N)C(=O)OC KOB0125 [0,2,0,0,0,0|2,0,0]=4 301 B9R0.1 CC(C)CCOC(=O)CCl S431494 [0,2,0,0,0,0|1,0,0]=3 302 B9R0.1 CC(C)CCOC(=O)CS S570311 [0,2,0,0,0,0|1,0,0]=3 303 B9R0.24 C=CC(=O)OCC(Br)CBr PH011729 [0,2,0,0,0,0|0,0,2]=4 304 B9R0.24 CCC(=O)NNC(=O)CC S889598 [0,2,0,0,0,0|1,0,1]=4 305 B9R0.24 CCC(C)C#CC(=O)OC T330019 [0,2,0,0,0,0|2,0,0]=4 306 B9R0.24 O=C(CCl)OCC(Br)CBr S556394 [0,2,0,0,0,0|1,0,0]=3 307 B9R0.46 CCCCC#CC(=O)OC PH000094 [0,2,0,0,0,0|2,0,0]=4 308 B9R0.46 CCCCCNC(=O)CCl S627690 [0,2,0,0,0,0|2,0,0]=4 309 B9R0.46 COC(=O)CCCCCBr S125334 [0,2,0,0,0,0|2,0,0]=4 310 B9R0.46 COCCCNC(=O)CCl PH017216 [0,2,0,0,0,0|2,0,0]=4 311 B9R0.47 CCCCCC(=O)C(C)C S357944 [0,2,0,0,0,0|1,0,0]=3 312 B9R0.7 C=C(C)C(=O)NCC(C)O ANV00013 [0,2,0,0,0,0|1,0,1]=4 313 B9R0.7 CC(=O)C(=O)OCC(C)C PH008589 [0,2,0,0,0,0|0,0,1]=3 314 B9R0.7 CC(C)CCC(=O)C(C)C S450499 [0,2,0,0,0,0|1,0,0]=3 315 B9R0.7 CC(C)CCC(=O)C(Cl)Cl R462357 [0,2,0,0,0,0|2,0,0]=4 316 B9R0.7 CC(C)NNC(=O)C(C)C PH008978 [0,2,0,0,0,0|2,0,0]=4 317 B9R0.13 C(=C(\CC)/C(=O)C)\CCC S129674 [0,2,0,0,0,0|1,0,0]=3 318 B9R0.42 C=C(C)C(=O)OC(C)CC CDS010603 [0,2,0,0,0,0|0,0,1]=3 319 B9R0.42 CCC(C)OC(=O)C(Cl)Cl PH008760 [0,2,0,0,0,0|1,0,0]=3 320 B9R0.51 CCCCS(=O)(=O)C(C)Cl T163740 [0,2,0,0,0,0|2,0,0]=4 321 B9R0.21 CCC(=O)NOC(C)(C)C S287849 [0,2,0,0,0,0|2,0,0]=4 322 B9R0.21 CNC(=O)OCC(Cl)(Cl)Cl S889261 [0,2,0,0,0,0|2,0,0]=4 323 B9R0.26 CC/C(=N\O)/CC(C)CC S388327 [0,2,0,0,0,0|1,0,1]=4 324 B7R1.1 CC=C1CCCC1 S431559 [1,0,0,1,0,0|1,0,1]=4 325 B7R1.1 COC1=NCCC1 PH000359 [1,0,0,1,0,0|2,0,0]=4 326 B7R1.2 CC1COC(=O)C1 PH007953 [1,0,0,1,0,0|1,0,0]=3 327 B7R1.2 CC1COC(=O)N1 CBR01603 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.2 CC1COS(=O)O1 S409928 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.2 CC1OC(=O)CS1 PH007278 [1,0,0,1,0,0|1,0,0]=3 330 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.2 O=C1CC(CO1)O S672874 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.3 IC1=CCCCC1 PH008510 [1,0,0,1,0,0|1,0,1]=4 334 B7R1.3 NC1CCCCC1 S512877 [1,0,0,1,0,0|1,0,1]=4 335 B7R1.3 NC1CCCCC1 S669822 [1,0,0,1,0,0|1,0,1]=4 336 B7R1.3 NC1CCCCC1 S926507 [1,0,0,1,0,0|1,0,1]=4 337 B7R1.3 O=C1CCCNC1 CDS006090 [1,0,0,1,0,0|1,0,0]=3 338 B7R1.3 O=C1COCCN1 T160245 [1,0,0,1,0,0|2,0,0]=4 339 B7R1.3 O=C1COCCO1 PH009771 [1,0,0,1,0,0|1,0,0]=3 340 B7R1.3 O=C1CSCCN1 PH010392 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.3 O=C1NCCCN1 S436712 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.3 O=C1NCCCO1 CBR00063 [1,0,0,1,0,0|1,0,0]=3 343 B7R1.3 O=C1OCCCO1 S939668 [1,0,0,1,0,0|1,0,0]=3 344 B7R1.3 O=S1CCCSC1 S885002 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.3 O=S1CCNCC1 CDS019871 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.4 CC1=C(CCC1)Br T256854 [1,0,0,1,0,0|1,0,1]=4 347 B7R1.4 CC1CCCC1C R289701 [1,0,0,1,0,0|1,0,1]=4 348 B7R1.4 CC1CCCC1O CDS001174 [1,0,0,1,0,0|0,0,2]=4 349 B7R1.4 CN1CCNC1=O CDS006142 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.4 NC1CCOC1=O CDS012715 [1,0,0,1,0,0|1,0,0]=3 351 B7R1.4 NC1CCSC1=O S784036 [1,0,0,1,0,0|1,1,0]=4 352 B7R1.4 NN1CCOC1=O S462624 [1,0,0,1,0,0|2,0,0]=4 353 B7R1.4 N[C@H]1CCNC1=O CDS010107 [1,0,0,1,0,0|2,0,0]=4 354 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [1,0,0,1,0,0|2,0,0]=4 355 B7R1.15 CC1NC(=O)C1C T173835 [1,0,0,1,0,0|1,0,0]=3 356 B7R1.15 CC1NC(=O)C1C T173843 [1,0,0,1,0,0|1,0,0]=3 357 B7R1.21 CCCC1(CC1)N CBR00865 [1,0,0,1,0,0|1,0,1]=4 358 B7R1.22 CCC(=O)C1CC1 CDS023679 [1,0,0,1,0,0|0,0,0]=2 359 B7R1.22 CCC(N)C1CC1 CBR01739 [1,0,0,1,0,0|1,0,1]=4 360 B7R1.22 CNC(=O)C1CC1 S261831 [1,0,0,1,0,0|1,0,0]=3 361 B7R1.22 COC(=O)N1CC1 T175501 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.22 NNC(=O)C1CC1 PH010669 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.22 O=C(CBr)C1CC1 TMT00623 [1,0,0,1,0,0|1,0,0]=3 364 B7R1.12 CC1CC1C(=O)N EME00444 [1,0,0,1,0,0|2,0,0]=4 365 B7R1.18 NC(=O)C1CCC1 S680745 [1,0,0,1,0,0|2,0,0]=4 366 B7R1.20 CC(=O)CC1CC1 PH014420 [1,0,0,1,0,0|1,0,0]=3 367 B7R1.20 O=C(O)CC1CC1 CDS000888 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.24 C1CNCCOC1 CDS001609 [1,0,0,1,0,0|1,0,1]=4 369 B9R1.2 C=CC1CCCC(=O)O1 T220795 [0,1,0,1,0,0|0,0,2]=4 370 B9R1.2 CCC1COCC(=O)N1 CBR01631 [0,1,0,1,0,0|1,0,0]=3 371 B9R1.8 CCCC1=NCCCS1 PH000354 [0,1,0,1,0,0|1,1,0]=4 372 B9R1.8 CCOC1CCCCO1 S359033 [0,1,0,1,0,0|1,0,1]=4 373 B9R1.8 CNCC1CCCCO1 CDS005693 [0,1,0,1,0,0|1,0,1]=4 374 B9R1.8 OCCC1CCCCO1 T177393 [0,1,0,1,0,0|1,0,1]=4 375 B9R1.12 CCCCC1=NCCS1 PH008233 [0,1,0,1,0,0|1,1,0]=4 376 B9R1.15 CC\1CCCC/C1=N\O PH001354 [0,1,0,1,0,0|1,0,1]=4 377 B9R1.15 COC1CCCC=C1Br T261521 [0,1,0,1,0,0|2,0,0]=4 378 B9R1.22 CCC1CC(=O)NN1C PH013333 [0,1,0,1,0,0|2,0,0]=4 379 B9R1.27 CC[C@H]1C(=CC[C@@H]1C)Br T219673 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.27 CC[C@H]1C(=CC[C@@H]1C)I T219630 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.33 CCCN1CCNC1=S S762059 [0,1,0,1,0,0|1,1,0]=4 382 B9R1.33 NCCN1CCOC1=O CBR01024 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.33 O=C1CCCN1CCBr CDS019689 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.33 O=C1OCCN1CCO CDS013723 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.49 C=C1CCCC(CC1)C T170666 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.49 CC1CNC(=O)CCN1 CBR01349 [0,1,0,1,0,0|1,0,0]=3 387 B9R1.49 CN1CCNC(=O)CC1 T298867 [0,1,0,1,0,0|1,0,0]=3 388 B9R1.50 O=C1CC=CCCOC1 T168858 [0,1,0,1,0,0|0,0,2]=4 389 B9R1.50 OC1CCCCCOC1 T168815 [0,1,0,1,0,0|0,0,2]=4 390 B9R1.69 CC1CCC(=O)C(C1)C T295450 [0,1,0,1,0,0|1,0,0]=3 391 B9R1.69 C[C@H]1C[C@H](COC1=O)C T269239 [0,1,0,1,0,0|0,0,0]=2 392 B9R1.75 O=C(CCCl)NC1CC1 CBR00331 [0,1,0,1,0,0|1,0,0]=3 393 B9R1.90 CCC1NC(=O)C1CC T173827 [0,1,0,1,0,0|1,0,0]=3 394 B9R1.183 CCOC(=O)C1CC1C R425907 [0,1,0,1,0,0|1,0,0]=3 395 B9R1.183 CCOC(=O)C1OC1C S462349 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.3 CC1=CCCC(C1=O)C T297577 [0,1,0,1,0,0|1,0,1]=4 397 B9R1.3 CC1CCCC(=O)C1C CDS023514 [0,1,0,1,0,0|1,0,0]=3 398 B9R1.3 CC1NCCN(C1=O)C CBR01897 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.3 CC1NCCN(C1=O)C CDS012281 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [0,1,0,1,0,0|1,0,0]=3 401 B9R1.5 O=C1CCCCCC1=O PH003588 [0,1,0,1,0,0|1,0,0]=3 402 B9R1.11 CCC(=O)C1=CCCC1 T246662 [0,1,0,1,0,0|1,0,0]=3 403 B9R1.11 CCC(=O)C1CCOC1 CDS024301 [0,1,0,1,0,0|1,0,0]=3 404 B9R1.11 CNC(=O)C1CCCN1 CDS023077 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.11 COC(=O)C1CCCN1 CDS003215 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.11 COC(=O)C1CCCN1 CDS004943 [0,1,0,1,0,0|2,0,0]=4 407 B9R1.11 COC(=O)[C@@H]1CCOC1 PHB00042 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.11 NNC(=O)C1CCCO1 CDS015210 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.11 O=C(CCl)N1CCCC1 OTV000117 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.186 COC(=O)C1(CCC1)N CDS020914 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.1 COC1CC=C(CC1)C T196010 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.1 N#CC1CCC(=O)CC1 CDS023626 [0,1,0,1,0,0|1,0,1]=4 413 B9R1.1 O=C1CCC(CC1)CO CDS017814 [0,1,0,1,0,0|1,0,0]=3 414 B9R1.21 CCC1=NOC(C1)CBr CBR01314 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.89 C(=O)N1CCCCCC1 S430455 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.89 O=CC1CCCCCC1 PH015086 [0,1,0,1,0,0|1,0,1]=4 417 B9R1.6 CC(C)C1OCCCO1 S864714 [0,1,0,1,0,0|0,0,2]=4 418 B9R1.6 CC(N)C1=CCCCC1 CBR01205 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.6 CC(O)C1=CCCCC1 PH015453 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.6 CC(O)C1=CCCCO1 T242993 [0,1,0,1,0,0|1,0,0]=3 421 B9R1.40 CC1(CCC=CC1=O)C T203114 [0,1,0,1,0,0|1,0,1]=4 422 B9R1.40 CC1(CNCCC1=O)C PHB00252 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.125 C[C@]1(CCC(=O)O1)CO T272442 [0,1,0,1,0,0|1,0,0]=3 424 B9R1.185 CCC(=O)C1CC1(C)C CDS023554 [0,1,0,1,0,0|1,0,0]=3 425 B9R2.20 O=C1C=CC2C1CC2 T178160 [0,0,0,2,0,0|1,0,1]=4 426 B9R2.20 [C@H]12CCC(=O)[C@H]1CC2 T177652 [0,0,0,2,0,0|1,0,0]=3 427 B9R2.39 C=C1CC2CCC1C2 R229288 [0,0,0,2,0,0|2,0,0]=4 428 B9R2.68 C1CC2CCC(C1)O2 T173541 [0,0,0,2,0,0|1,0,1]=4 429 B9R2.19 O=C1CCC2CC1O2 T173428 [0,0,0,2,0,0|2,0,0]=4 430 B9R2.109 O=C1CCCC2C1C2 T179566 [0,0,0,2,0,0|1,0,0]=3 431 B9R2.7 [C@H]12CCC[C@H]1C(=O)N2 T191981 [0,0,0,2,0,0|1,0,0]=3