0 B7R0.3 C(=C(/C)\CC)\CCO T295590 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 C(=O)C(=C)CCCC R425885 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.3 C=C(CC)CCCC CDS000215 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.3 CCC#CC(=O)OC T242845 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.3 CCCCC(N)CC CDS021471 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.3 CCCNC(=O)CCl OTV000047 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.3 CCCNC(=S)NC S512176 [0,0,0,0,0,0|2,1,0]=3 7 B7R0.3 CCCOC(=O)CBr PH011324 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.3 CCCOC(=O)CCl S431443 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.3 CCCOC(=O)CN PH019063 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.3 CCCSC(C)CC S570672 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.3 CCOCC(=O)OC EME00071 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.3 CCSCS(=O)CC S697834 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.3 CNC(=O)OCCCl L163082 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.3 CNC(=O)OCCO S392650 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.3 CNCCC(=O)NC CBR01261 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.3 COC(=O)CCC#N S369640 [0,0,0,0,0,0|1,0,1]=2 17 B7R0.3 COCCC(=O)NN CDS018970 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.3 NNC(=O)CCCO CDS001562 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.3 NNC(=O)OCCO S749680 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.1 CC/C=C(\C)/CC R289574 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.1 CC/C=C(\C)/CC R289582 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.1 CCC(=O)COC CDS024044 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.1 CCC(=O)OCS PH000959 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.1 CCCC(C)NC PH018184 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.1 CCCC(N)CC CBR01120 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.1 CCNC(=O)CBr CBR01984 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.1 CCNC(=O)CCl TMT00299 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.1 CCOC(=O)NC PH010865 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.1 CCOC(=O)N[O-] S859273 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.1 CCSC(=O)CC CDS001498 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.1 CNCC(=O)NC CBR00235 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.1 CNCC(=O)OC PH006931 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.1 COC(=O)/C=C\I SYX00331 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.1 [Li]OC(=O)CCC S813958 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.4 C=C(Br)CCCO T297658 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.4 C=CCNC(=O)C EME00415 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.4 CC(=O)NCCCl CDS001220 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.4 CC(=O)OCCS S363049 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.4 CC/C=C/C(=O)Cl PH009861 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.4 CCC#CC(=O)C CDS000006 [1,0,0,0,0,0|0,0,2]=3 41 B6R0.4 CCCC=C(C)C S419117 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.4 CCCCC(=N)N PH017352 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.4 CCCCC(=S)N PH000512 [1,0,0,0,0,0|1,1,0]=3 44 B6R0.4 CCCNC(=N)N L254797 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.4 CCCSC(=O)C CDS000298 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.4 CCCSC(C)C S570702 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.4 CCNCC(=O)N S877379 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.4 CCNCC(=O)N S986194 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.4 CCSCC(=O)C S614262 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.4 CNCCC(=O)O CDS013939 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.4 CO/N=C/C(=O)O CDS023875 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.4 COCCC(=N)N CBR01198 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.4 CSCCC(=O)Cl CDS000414 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.4 CSCCC(C)C S351520 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.4 N#CCCC(=O)O CDS009069 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.4 NC(=O)CCCCl OTV000845 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.4 NC(=O)NCCCl CDS000493 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.4 O=C(O)CCCS CDS004545 [1,0,0,0,0,0|1,0,0]=2 59 B6R0.6 C=C=CCCCO CVT00100 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.6 CCCCCSC S357952 [1,0,0,0,0,0|0,1,1]=3 61 B6R0.6 CCCCNC=O S550981 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.6 CCCCSC#N S449814 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.6 CCCNCCC R580155 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.6 CCSCCCO PH017932 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.6 COCCCC=O CDS022820 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.6 [C-]#[N+]CCCOC PH015420 [1,0,0,0,0,0|1,0,2]=4 67 B8R0.1 C#CCNC(=O)COC CDS023428 [0,1,0,0,0,0|1,0,2]=4 68 B8R0.1 C/C=C\C(O)CCCC S364290 [0,1,0,0,0,0|1,0,2]=4 69 B8R0.1 C=CCNC(=O)OCC S361445 [0,1,0,0,0,0|1,0,2]=4 70 B8R0.1 CC=CC(=O)NCCC T173770 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.1 CCCCC(=O)CCC S456489 [0,1,0,0,0,0|1,0,0]=2 72 B8R0.1 CCCCN(C)CCN PH014575 [0,1,0,0,0,0|3,0,0]=4 73 B8R0.1 CCCCN(C)CCO PH017931 [0,1,0,0,0,0|3,0,0]=4 74 B8R0.1 CCCNC(=O)NCC S805858 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.1 CCCNC(=O)OCC S361909 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.1 CCOC(=O)CCC#N PH003642 [0,1,0,0,0,0|1,0,1]=3 77 B8R0.1 CCOC(=O)CCOC CDS025273 [0,1,0,0,0,0|1,0,0]=2 78 B8R0.1 CCOC(=O)CSC#N PH001910 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.1 CCOC(=O)NCCO S391980 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.3 C(=C(\C)/C(=O)OC)\CCl T297852 [0,1,0,0,0,0|1,0,2]=4 81 B8R0.3 CCCC(O)C(=O)CC PH008572 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.3 CCCC(O)C(C)CC S412430 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [0,1,0,0,0,0|0,0,0]=1 84 B8R0.3 COC(=O)[C@H](C)N=C=S PH015177 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.6 C#CCCCC(=O)OC T287598 [0,1,0,0,0,0|0,0,1]=2 86 B8R0.6 C=CC(=O)OCCCC S444715 [0,1,0,0,0,0|1,0,1]=3 87 B8R0.6 CCC/C=C/C(=O)OC R436038 [0,1,0,0,0,0|0,0,1]=2 88 B8R0.6 CCCCCC(=O)NN S849049 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.6 CCCCCC(=O)SC CDS010601 [0,1,0,0,0,0|0,1,0]=2 90 B8R0.6 CCCCNC(=O)CCl TMT00394 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.6 CCCCNC(=O)OC S352683 [0,1,0,0,0,0|0,0,0]=1 92 B8R0.6 CCCCOC(=O)CCl S431451 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.6 CCCCOC(=O)CS S436992 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.6 CCCCSC(C)CC S570613 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.6 CCOCCC(=O)OC PH000125 [0,1,0,0,0,0|0,0,0]=1 96 B8R0.6 CCOCCC(O)CC S347981 [0,1,0,0,0,0|1,0,2]=4 97 B8R0.6 CCSCCC(=O)OC S365688 [0,1,0,0,0,0|0,0,0]=1 98 B8R0.6 COC(=O)CCN=C=O PH010957 [0,1,0,0,0,0|1,0,1]=3 99 B8R0.6 COC(=O)CNCC#N CDS021131 [0,1,0,0,0,0|1,0,1]=3 100 B8R0.6 COC(=O)NCCC#N T284297 [0,1,0,0,0,0|1,0,1]=3 101 B8R0.8 CCCCC(=O)N(C)C S939811 [0,1,0,0,0,0|1,0,0]=2 102 B8R0.8 CCCCC(C)C(C)O S374199 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.8 CN(C)C(=O)CCCN CBR00927 [0,1,0,0,0,0|2,0,0]=3 104 B8R0.8 COCCC(=O)C(C)C CDS024032 [0,1,0,0,0,0|2,0,0]=3 105 B8R0.9 BC(=O)NCC(=O)OC R277398 [0,1,0,0,0,0|2,0,1]=4 106 B8R0.9 C=CC(=O)OCC(C)O S511951 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [0,1,0,0,0,0|3,0,0]=4 108 B8R0.9 CCC(=O)CCC(=O)O S574090 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.9 CCC(=O)COC(=O)C S362409 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.9 CCC(O)CCC(C)C CDS000278 [0,1,0,0,0,0|1,0,2]=4 111 B8R0.9 CNC(=O)CNC(=O)C S782807 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.9 COC(=O)CNC(=O)C S785687 [0,1,0,0,0,0|1,0,1]=3 113 B8R0.9 COC(=O)NCC(=O)O CDS020780 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.11 CCCCC(CC)CCl S431516 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.11 CCCCC(CC)CN CDS000347 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.11 COC(CCCCl)OC PH000494 [0,1,0,0,0,0|1,0,2]=4 117 B8R0.11 COC(CCCN)OC PH000174 [0,1,0,0,0,0|1,0,2]=4 118 B8R0.19 CCC(C)CC(O)CC S430854 [0,1,0,0,0,0|1,0,2]=4 119 B8R0.19 CCC(C)NC(=O)CCl OTV000953 [0,1,0,0,0,0|3,0,0]=4 120 B8R0.19 CCC(C)NC(=O)NC S724750 [0,1,0,0,0,0|2,0,0]=3 121 B8R0.19 CN/C(=C\C(=O)OC)/C CVT00049 [0,1,0,0,0,0|1,0,2]=4 122 B8R0.19 COC(=O)/C=C(\C)/OC SYX00052 [0,1,0,0,0,0|1,0,2]=4 123 B8R0.19 COC(=O)NC(=O)CCl PH010166 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.25 CCCCC(C)(O)CC S433217 [0,1,0,0,0,0|1,0,2]=4 125 B8R0.25 CCCCS(=O)(=O)CC S775738 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.1 CCC1CCC(C1)C R289752 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.1 CCC1CNC(=O)C1 CBR00057 [0,0,0,1,0,0|1,0,0]=2 128 B8R1.1 CCC1COC(=O)N1 CBR02121 [0,0,0,1,0,0|1,0,0]=2 129 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [0,0,0,1,0,0|3,0,0]=4 130 B8R1.1 O=C1CC(CN1)CO CDS002555 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.1 O=C1CCC(O1)CCl PH010125 [0,0,0,1,0,0|3,0,0]=4 132 B8R1.1 O=C1OCC(O1)CCl S416657 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.2 CCC1=NCCCS1 PH008217 [0,0,0,1,0,0|2,1,0]=4 134 B8R1.2 COC1CCCNC1 CDS007978 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.2 NCC1=CCCCC1 CBR00863 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.3 CC1=CCC(CC1)Cl S109576 [0,0,0,1,0,0|3,0,0]=4 137 B8R1.3 CC1=NNC(=O)CC1 R750921 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.3 CC1CCC(CC1)Br CDS001451 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.3 CC1CCC(CC1)N T138053 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.3 C[C@H]1CC[C@@H](CC1)N CDS019932 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.3 NC1CCC(=O)CC1 CDS009700 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [0,0,0,1,0,0|2,0,0]=3 143 B8R1.3 O=C1CCC(CC1)O T292184 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.5 CC1SCCNC1=O R305707 [0,0,0,1,0,0|3,0,0]=4 146 B8R1.5 FC1=C(CCCC1)Br S896187 [0,0,0,1,0,0|3,0,0]=4 147 B8R1.5 NC1CCCNC1=O CDS020148 [0,0,0,1,0,0|3,0,0]=4 148 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,0,0,1,0,0|3,0,0]=4 149 B8R1.5 O=C1CCOCC1F SYX00096 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.22 CC1=NCCCCN1 S168785 [0,0,0,1,0,0|3,0,0]=4 151 B8R1.22 CC1CCCCCO1 T168866 [0,0,0,1,0,0|1,0,1]=3 152 B8R1.22 O=C1CCSCCN1 SYX00233 [0,0,0,1,0,0|2,0,0]=3 153 B8R1.22 O=C1CNCCCN1 CDS019453 [0,0,0,1,0,0|2,0,0]=3 154 B8R1.22 O=C1CSCCSC1 CBR01192 [0,0,0,1,0,0|3,0,0]=4 155 B8R1.22 OC1CCCCCO1 S866032 [0,0,0,1,0,0|0,0,2]=3 156 B8R1.22 S=C1NCCCCN1 PH000173 [0,0,0,1,0,0|2,1,0]=4 157 B8R1.38 COC(=O)C1CCC1 S851957 [0,0,0,1,0,0|0,0,0]=1 158 B8R1.38 COC(=O)C1CNC1 CDS005119 [0,0,0,1,0,0|1,0,0]=2 159 B8R1.38 NNC(=O)C1CCC1 CBR00212 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.40 CO/C(=N/C1CC1)/C T199370 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.40 NCC(=O)NC1CC1 CBR00910 [0,0,0,1,0,0|3,0,0]=4 162 B8R1.50 C[C@H]1[C@@H](CC[C@H]1O)C T297410 [0,0,0,1,0,0|1,0,2]=4 163 B8R1.83 COC(=O)C1CC1C EME00059 [0,0,0,1,0,0|0,0,0]=1 164 B5R0.1 C=C(C)CSC S866024 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.1 CC(=O)CCN OTV000740 [2,0,0,0,0,0|1,0,0]=3 166 B5R0.1 CNCC(=O)C CBR02406 [2,0,0,0,0,0|1,0,0]=3 167 B5R0.1 COCC(=O)N S371874 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.1 NCCC(=O)N CDS000027 [2,0,0,0,0,0|2,0,0]=4 169 B5R0.1 O=C(O)C[Hg]Cl S881910 [2,0,0,0,0,0|2,0,0]=4 170 B5R0.2 C(=O)CCC=C CDS000721 [2,0,0,0,0,0|0,0,2]=4 171 B5R0.2 C=CCNCC PH014544 [2,0,0,0,0,0|1,0,1]=4 172 B5R0.2 C=CCSCC S620327 [2,0,0,0,0,0|1,0,1]=4 173 B5R0.2 CCC/C=N/O S429139 [2,0,0,0,0,0|1,0,1]=4 174 B5R0.2 CCCCSC S447420 [2,0,0,0,0,0|0,1,0]=3 175 B5R0.2 CCCC[Hg]Cl S829617 [2,0,0,0,0,0|2,0,0]=4 176 B5R0.2 CCCNCC CDS000615 [2,0,0,0,0,0|1,0,1]=4 177 B5R0.2 CCCOCC CDS000380 [2,0,0,0,0,0|1,0,1]=4 178 B5R0.2 CCSCCO PH011451 [2,0,0,0,0,0|1,0,1]=4 179 B5R0.2 CNCCCBr PH013730 [2,0,0,0,0,0|2,0,0]=4 180 B5R0.2 COCCSC S698245 [2,0,0,0,0,0|1,0,0]=3 181 B5R0.3 CCC(=O)CO R277614 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.3 CNC(=O)CCl OTV000964 [2,0,0,0,0,0|2,0,0]=4 183 B7R0.2 CC(C)CC(=O)C#N R260371 [1,1,0,0,0,0|2,0,0]=4 184 B7R0.2 CCC(=O)OC(C)C CDS000574 [1,1,0,0,0,0|2,0,0]=4 185 B7R0.2 COC(=O)/C=C(/C)\N S613886 [1,1,0,0,0,0|0,0,2]=4 186 B7R0.2 COC(=O)/C=C(\C)/[O-] S586625 [1,1,0,0,0,0|0,0,2]=4 187 B7R0.2 COC(=O)CC(=O)O CDS001491 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.2 COC(=O)CC(C)Cl S559458 [1,1,0,0,0,0|0,0,0]=2 189 B7R0.2 COC(=O)NC(C)C PH006940 [1,1,0,0,0,0|1,0,0]=3 190 B7R0.5 C=C(CCC)C(C)C R289221 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.5 CCCC(=C(C)C)C R289469 [1,1,0,0,0,0|2,0,0]=4 192 B7R0.5 CCOC(=O)C(C)N CDS015013 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.5 CCOC(=O)N(C)C PH001938 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.5 CCOC(=O)N(C)N PH007944 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.5 CN(C)C(=O)CCN CBR00920 [1,1,0,0,0,0|2,0,0]=4 196 B7R0.5 CNCC(=O)N(C)C CDS007544 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.5 COCC(=O)C(C)C CDS024045 [1,1,0,0,0,0|2,0,0]=4 198 B7R0.5 CSCC(=O)N(C)C PH007257 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.7 CCCS(=O)CCC S440973 [1,1,0,0,0,0|2,0,0]=4 200 B7R0.7 CCOC(=O)CCI T255378 [1,1,0,0,0,0|1,0,0]=3 201 B7R0.7 CCOC(=O)CNC PH000310 [1,1,0,0,0,0|1,0,0]=3 202 B7R0.7 CCOC(=O)CNN CDS009912 [1,1,0,0,0,0|2,0,0]=4 203 B7R0.7 CCOC(=O)NNC PH007943 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.7 CCOC(=O)NOC PH005154 [1,1,0,0,0,0|1,0,0]=3 205 B7R0.7 CCSC(=O)SCC S189634 [1,1,0,0,0,0|1,1,0]=4 206 B7R0.10 C/C=C(\C)/C(=O)OC CDS001207 [1,1,0,0,0,0|0,0,2]=4 207 B7R0.10 CCC(=O)C(O)CC CDS000463 [1,1,0,0,0,0|1,0,0]=3 208 B7R0.10 CNC(C)C(=O)OC CBR01417 [1,1,0,0,0,0|1,0,0]=3 209 B7R0.10 CN[C@@H](C)C(=O)OC CDS015644 [1,1,0,0,0,0|1,0,0]=3 210 B7R0.10 COC(=O)[C@H](N)CS PH013124 [1,1,0,0,0,0|1,0,0]=3 211 B7R0.4 C#CCOCC(=O)C S38874 [1,1,0,0,0,0|0,0,2]=4 212 B7R0.4 C/C(=C\CCCBr)/Br S877557 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.4 C=C(Br)CCCCBr S881252 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.4 C=C=CCCC(=O)O CVT00110 [1,1,0,0,0,0|0,0,2]=4 215 B7R0.4 C=CCCOC(=O)C S510343 [1,1,0,0,0,0|0,0,2]=4 216 B7R0.4 C=CCOCC(=O)O CDS023318 [1,1,0,0,0,0|0,0,2]=4 217 B7R0.4 CC(=O)NCCCO OTV000276 [1,1,0,0,0,0|1,0,0]=3 218 B7R0.4 CC(=O)OCCCS S786683 [1,1,0,0,0,0|1,0,0]=3 219 B7R0.4 CCC/C=C/C(=O)C CDS001219 [1,1,0,0,0,0|0,0,1]=3 220 B7R0.4 CCC/C=C/C(=O)N PH008310 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.4 CCCCCC(=N)N CBR01197 [1,1,0,0,0,0|2,0,0]=4 222 B7R0.4 CCCCCC(C)Cl CDS000285 [1,1,0,0,0,0|1,0,1]=4 223 B7R0.4 CCCCNC(=O)C CDS013581 [1,1,0,0,0,0|0,0,0]=2 224 B7R0.4 CCCCNC(=S)N S565970 [1,1,0,0,0,0|1,1,0]=4 225 B7R0.4 CCCCSC(=N)N S500534 [1,1,0,0,0,0|2,0,0]=4 226 B7R0.4 CCCCSC(=N)N S557153 [1,1,0,0,0,0|2,0,0]=4 227 B7R0.4 CCCCSC(C)C S570605 [1,1,0,0,0,0|1,0,1]=4 228 B7R0.4 CCCNC[C@@H](C)O PH016360 [1,1,0,0,0,0|0,0,2]=4 229 B7R0.4 CCCSCC(C)C S547131 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.4 CCO/C=C/C(=O)O CDS016341 [1,1,0,0,0,0|0,0,2]=4 231 B7R0.4 CCOCCC(=N)N PH016244 [1,1,0,0,0,0|2,0,0]=4 232 B7R0.4 CCOCCC(=O)O S448745 [1,1,0,0,0,0|0,0,0]=2 233 B7R0.4 CN(C)CCCCN CDS013751 [1,1,0,0,0,0|2,0,0]=4 234 B7R0.4 CNCCCC(=O)O PH006886 [1,1,0,0,0,0|0,0,0]=2 235 B7R0.4 COCCCC(=O)O CDS021485 [1,1,0,0,0,0|0,0,0]=2 236 B7R0.4 COCCCC(C)O S671169 [1,1,0,0,0,0|0,0,2]=4 237 B7R0.4 CSCCCC(=O)O OTV000795 [1,1,0,0,0,0|0,0,0]=2 238 B7R0.4 CSCCOC(=O)C S375721 [1,1,0,0,0,0|1,0,0]=3 239 B7R0.4 N#CCCCC(=O)O CDS007802 [1,1,0,0,0,0|0,0,1]=3 240 B7R0.4 N#CCSCC(=O)O EME00129 [1,1,0,0,0,0|1,0,1]=4 241 B7R0.4 NC(=O)CCCCO S441481 [1,1,0,0,0,0|1,0,0]=3 242 B7R0.4 NC(=O)COCCO S449792 [1,1,0,0,0,0|2,0,0]=4 243 B7R0.4 NCCNCC(=O)O CDS000144 [1,1,0,0,0,0|1,0,0]=3 244 B7R0.4 NCCOCC(=O)O T160229 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.6 CC(=O)SCC(Cl)Cl S340472 [1,1,0,0,0,0|2,0,0]=4 246 B7R0.6 CC(C)/C=C/C(=O)O CDS003369 [1,1,0,0,0,0|0,0,2]=4 247 B7R0.6 CC(C)CCC(=N)N CBR00806 [1,1,0,0,0,0|2,0,0]=4 248 B7R0.6 CC(C)CCC(=N)N PH014985 [1,1,0,0,0,0|2,0,0]=4 249 B7R0.6 CC(C)CCC(=O)Cl PH015411 [1,1,0,0,0,0|1,0,0]=3 250 B7R0.6 CC(C)CC[C@@H](C)N PH017936 [1,1,0,0,0,0|1,0,1]=4 251 B7R0.6 CC(C)CC[C@@H](C)N S408158 [1,1,0,0,0,0|1,0,1]=4 252 B7R0.6 CC(C)COC(=O)N S362840 [1,1,0,0,0,0|2,0,0]=4 253 B7R0.6 CC(C)SCC(=O)O OTV000315 [1,1,0,0,0,0|1,0,0]=3 254 B7R0.6 CN(C)CCC(=O)O CDS000423 [1,1,0,0,0,0|1,0,0]=3 255 B7R0.6 CN(C)CCC(=O)O CDS013778 [1,1,0,0,0,0|1,0,0]=3 256 B7R0.6 CS(=O)CCS(=O)C PH008108 [1,1,0,0,0,0|2,0,0]=4 257 B7R0.6 C[S+](C)CCC(=O)O CDS000190 [1,1,0,0,0,0|1,0,0]=3 258 B7R0.6 O=C(O)CCC(=O)O S427594 [1,1,0,0,0,0|1,0,1]=4 259 B7R0.8 CCCC[N+](C)(C)C S949825 [1,1,0,0,0,0|2,0,0]=4 260 B7R0.8 CNCCS(=O)(=O)C CDS005459 [1,1,0,0,0,0|2,0,0]=4 261 B7R0.8 CS(=O)(=O)CCCN T160539 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.1 C/C=C\CCCCO S310700 [1,1,0,0,0,0|1,0,0]=3 263 B7R0.1 CCCCCON=O CDS000385 [1,1,0,0,0,0|1,0,1]=4 264 B7R0.1 CCCCSCCC S367192 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.1 CCCCSCCO S527408 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.1 CCSCCSCC S347876 [1,1,0,0,0,0|2,0,0]=4 267 B7R0.1 CNCCCCCO PH007838 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.1 COCC/C=C/CCl S359556 [1,1,0,0,0,0|2,0,0]=4 269 B7R0.1 COCCCCCO PH003271 [1,1,0,0,0,0|0,0,1]=3 270 B7R0.1 COCCOCCN CDS022898 [1,1,0,0,0,0|1,0,1]=4 271 B7R0.1 COCCSCCO PH010752 [1,1,0,0,0,0|1,0,1]=4 272 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,2,0,0,0,0|1,0,0]=3 273 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,2,0,0,0,0|1,0,0]=3 274 B9R0.4 CCCNC(=O)CC(=O)C R466107 [0,2,0,0,0,0|2,0,0]=4 275 B9R0.4 CCCOC(=O)CC(=O)C CDS000562 [0,2,0,0,0,0|2,0,0]=4 276 B9R0.5 C(=C/C(=O)CCCC#N)\C T270555 [0,2,0,0,0,0|1,0,1]=4 277 B9R0.5 CCCCC/C(=C/CO)/I S326747 [0,2,0,0,0,0|2,0,0]=4 278 B9R0.5 CCCCCC(=O)CCC S411825 [0,2,0,0,0,0|1,0,0]=3 279 B9R0.5 CCCCNC(=O)CC#N PH010800 [0,2,0,0,0,0|1,0,1]=4 280 B9R0.5 CCCCNC(=O)CCC EME00389 [0,2,0,0,0,0|1,0,0]=3 281 B9R0.5 CCCCNC(=O)CNC CBR01986 [0,2,0,0,0,0|1,0,0]=3 282 B9R0.5 CCCCNC(=O)NCC S802077 [0,2,0,0,0,0|1,0,0]=3 283 B9R0.5 CCCCNC(=O)OCC S406988 [0,2,0,0,0,0|0,0,0]=2 284 B9R0.5 CCCCOC(C)OCC S240214 [0,2,0,0,0,0|1,0,1]=4 285 B9R0.5 CCNC(=O)NCCCO S804738 [0,2,0,0,0,0|2,0,0]=4 286 B9R0.5 CCNC(=O)NCCOC S804746 [0,2,0,0,0,0|2,0,0]=4 287 B9R0.5 CCOC(=O)CCCCI S677175 [0,2,0,0,0,0|0,0,0]=2 288 B9R0.5 CCOC(=O)CCCCN CDS023812 [0,2,0,0,0,0|0,0,0]=2 289 B9R0.5 CCOC(=O)CCN=C=S CDS000897 [0,2,0,0,0,0|1,0,1]=4 290 B9R0.5 CCOC(=O)NCCCBr PH001320 [0,2,0,0,0,0|1,0,0]=3 291 B9R0.5 [C-]#[N+]CCCC(=O)OCC PH015035 [0,2,0,0,0,0|0,0,1]=3 292 B9R0.8 C=CCCC(=O)N(C)OC T280461 [0,2,0,0,0,0|0,0,2]=4 293 B9R0.8 CCCCC(=O)C(C)CC S431486 [0,2,0,0,0,0|1,0,0]=3 294 B9R0.8 CCCOC(=O)C(C)CC CDS000542 [0,2,0,0,0,0|2,0,0]=4 295 B9R0.18 C#CCNC(=O)CNCC PH014819 [0,2,0,0,0,0|2,0,0]=4 296 B9R0.18 CCCCC(C)OCC#N S240389 [0,2,0,0,0,0|1,0,1]=4 297 B9R0.18 O=C(CCCO)NCCO PH008175 [0,2,0,0,0,0|2,0,0]=4 298 B9R0.18 O=C(NCCCl)OCCCl R416347 [0,2,0,0,0,0|2,0,0]=4 299 B9R0.18 [NH2+](CC)CC(=O)OCC=C R240648 [0,2,0,0,0,0|1,0,0]=3 300 B9R0.34 C#C[C@@H](N)CC(=O)OCC PH016355 [0,2,0,0,0,0|0,0,2]=4 301 B9R0.34 C=CC[C@@H](C)CC(=O)OC PH008011 [0,2,0,0,0,0|0,0,1]=3 302 B9R0.35 CCCC(=O)C(O)CCC S705500 [0,2,0,0,0,0|1,0,0]=3 303 B9R0.35 CCC[C@H](N)C(=O)OCC CDS021016 [0,2,0,0,0,0|0,0,0]=2 304 B9R0.40 CC=C/C(=N/CCC)/OC T173797 [0,2,0,0,0,0|2,0,0]=4 305 B9R0.40 CCCCN(C=O)CCO PH000614 [0,2,0,0,0,0|2,0,0]=4 306 B9R0.48 C=C(C)CNC(=O)OCC S36022 [0,2,0,0,0,0|1,0,1]=4 307 B9R0.48 C=C(Cl)CCC(=O)OCC T277177 [0,2,0,0,0,0|0,0,2]=4 308 B9R0.6 CCCC(C)C(=O)C(C)C S433179 [0,2,0,0,0,0|1,0,0]=3 309 B9R0.19 CCCC(Cl)S(=O)(=O)CC T163775 [0,2,0,0,0,0|2,0,0]=4 310 B9R0.23 COC(=O)C(N)CC(=O)O CDS006063 [0,2,0,0,0,0|1,0,1]=4 311 B9R0.23 COC(=O)C(O)CC(=O)O CDS005345 [0,2,0,0,0,0|1,0,1]=4 312 B9R0.23 COC(=O)[C@@H](N)CC(C)C PH010827 [0,2,0,0,0,0|0,0,0]=2 313 B9R0.23 [C@@H](C)(NC(=O)C)C(=O)OC S933279 [0,2,0,0,0,0|1,0,1]=4 314 B9R0.27 C=C(C(=O)OC)C(C)CO T262226 [0,2,0,0,0,0|1,0,1]=4 315 B9R0.27 CCC(=O)C(C)C(=O)OC S84574 [0,2,0,0,0,0|0,0,1]=3 316 B9R0.27 CCC(C)C(N)C(=O)OC KOB0125 [0,2,0,0,0,0|0,0,0]=2 317 B9R0.1 C=C(Br)CCCC(=O)OC T287547 [0,2,0,0,0,0|0,0,1]=3 318 B9R0.1 CC(C)CCOC(=O)CCl S431494 [0,2,0,0,0,0|2,0,0]=4 319 B9R0.1 CC(C)CCOC(=O)CS S570311 [0,2,0,0,0,0|2,0,0]=4 320 B9R0.1 COC(=O)CSCC(=O)C PH010376 [0,2,0,0,0,0|0,0,1]=3 321 B9R0.24 CCC(C)C#CC(=O)OC T330019 [0,2,0,0,0,0|0,0,1]=3 322 B9R0.24 CNC(=O)CCC(=O)NC S374857 [0,2,0,0,0,0|1,0,1]=4 323 B9R0.24 COC(=O)CNC(=O)CN R701602 [0,2,0,0,0,0|1,0,1]=4 324 B9R0.46 C/C=C/C/C=C/C(=O)OC S765929 [0,2,0,0,0,0|0,0,2]=4 325 B9R0.46 CCCCC#CC(=O)OC PH000094 [0,2,0,0,0,0|0,0,0]=2 326 B9R0.46 CCCCCNC(=O)CCl S627690 [0,2,0,0,0,0|2,0,0]=4 327 B9R0.46 COC(=O)CCCCCBr S125334 [0,2,0,0,0,0|0,0,0]=2 328 B9R0.46 COCCCNC(=O)CCl PH017216 [0,2,0,0,0,0|2,0,0]=4 329 B9R0.47 CCCCCC(=O)C(C)C S357944 [0,2,0,0,0,0|1,0,0]=3 330 B9R0.7 C=C(C)C(=O)NCC(C)O ANV00013 [0,2,0,0,0,0|2,0,0]=4 331 B9R0.7 CC(=O)C(=O)OCC(C)C PH008589 [0,2,0,0,0,0|2,0,0]=4 332 B9R0.7 CC(C)CCC(=O)C(C)C S450499 [0,2,0,0,0,0|1,0,0]=3 333 B9R0.7 CC(C)CCC(=O)C(Cl)Cl R462357 [0,2,0,0,0,0|2,0,0]=4 334 B9R0.13 C(=C(\CC)/C(=O)C)\CCC S129674 [0,2,0,0,0,0|1,0,1]=4 335 B9R0.13 CCCC/C(=N\O)/C(=O)O PH007213 [0,2,0,0,0,0|2,0,0]=4 336 B9R0.42 C=C(C)C(=O)OC(C)CC CDS010603 [0,2,0,0,0,0|2,0,0]=4 337 B9R0.42 COC(=O)/C=C(\N)/C(C)C PH001575 [0,2,0,0,0,0|0,0,2]=4 338 B9R0.42 COC(=O)NC(O)C(Cl)Cl S28739 [0,2,0,0,0,0|2,0,0]=4 339 B9R0.51 CCCCS(=O)(=O)C(C)Cl T163740 [0,2,0,0,0,0|2,0,0]=4 340 B9R0.21 COC(=O)C#CC(C)(C)C T330116 [0,2,0,0,0,0|0,0,2]=4 341 B9R0.21 COC(=O)CCS(=O)(=O)Cl CDS012396 [0,2,0,0,0,0|2,0,0]=4 342 B9R0.21 COC(=O)CCS(=O)(=O)N PH010251 [0,2,0,0,0,0|2,0,0]=4 343 B9R0.21 COC(=O)CSC(C)(C)C EME00019 [0,2,0,0,0,0|1,0,0]=3 344 B9R0.26 CC/C(=N\O)/CC(C)CC S388327 [0,2,0,0,0,0|1,0,1]=4 345 B7R1.1 CC=C1CCCC1 S431559 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.1 COC1=NCCC1 PH000359 [1,0,0,1,0,0|1,0,0]=3 347 B7R1.2 CC1COC(=O)C1 PH007953 [1,0,0,1,0,0|0,0,0]=2 348 B7R1.2 CC1COC(=O)N1 CBR01603 [1,0,0,1,0,0|1,0,0]=3 349 B7R1.2 CC1COS(=O)O1 S409928 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [1,0,0,1,0,0|1,0,0]=3 351 B7R1.2 O=C1CC(CO1)O S672874 [1,0,0,1,0,0|1,0,0]=3 352 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [1,0,0,1,0,0|1,0,0]=3 353 B7R1.3 IC1=CCCCC1 PH008510 [1,0,0,1,0,0|2,0,0]=4 354 B7R1.3 O=C1CCCNC1 CDS006090 [1,0,0,1,0,0|2,0,0]=4 355 B7R1.3 O=C1COCCN1 T160245 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.3 O=C1COCCO1 PH009771 [1,0,0,1,0,0|1,0,0]=3 357 B7R1.3 O=C1CSCCN1 PH010392 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.3 O=C1NCCCN1 S436712 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.3 O=C1NCCCO1 CBR00063 [1,0,0,1,0,0|1,0,0]=3 360 B7R1.3 O=C1OCCCO1 S939668 [1,0,0,1,0,0|1,0,0]=3 361 B7R1.4 CC1=C(CCC1)Br T256854 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.4 CN1CCNC1=O CDS006142 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.15 CC1NC(=O)C1C T173835 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.15 CC1NC(=O)C1C T173843 [1,0,0,1,0,0|2,0,0]=4 365 B7R1.22 CCC(=O)C1CC1 CDS023679 [1,0,0,1,0,0|1,0,0]=3 366 B7R1.22 CNC(=O)C1CC1 S261831 [1,0,0,1,0,0|1,0,0]=3 367 B7R1.22 COC(=O)N1CC1 T175501 [1,0,0,1,0,0|1,0,0]=3 368 B7R1.22 NNC(=O)C1CC1 PH010669 [1,0,0,1,0,0|2,0,0]=4 369 B7R1.22 O=C(CBr)C1CC1 TMT00623 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.12 CC1CC1C(=O)N EME00444 [1,0,0,1,0,0|1,0,0]=3 371 B7R1.17 CC1CCS1(=O)=O T172936 [1,0,0,1,0,0|1,0,1]=4 372 B7R1.17 [C@@H]1(CCS1(=O)=O)C T176281 [1,0,0,1,0,0|1,0,1]=4 373 B7R1.18 CC(O)C1CCC1 CDS021460 [1,0,0,1,0,0|0,0,2]=4 374 B7R1.18 NC(=O)C1CCC1 S680745 [1,0,0,1,0,0|1,0,0]=3 375 B7R1.18 NC(=O)C1CNC1 PHB00032 [1,0,0,1,0,0|2,0,0]=4 376 B7R1.18 O=C(O)C1CCN1 CDS008419 [1,0,0,1,0,0|1,0,0]=3 377 B7R1.20 CC(=O)CC1CC1 PH014420 [1,0,0,1,0,0|0,0,0]=2 378 B7R1.20 O=C(O)CC1CC1 CDS000888 [1,0,0,1,0,0|0,0,0]=2 379 B7R1.24 C1CNCCOC1 CDS001609 [1,0,0,1,0,0|1,0,1]=4 380 B9R1.2 CCC1COCC(=O)N1 CBR01631 [0,1,0,1,0,0|1,0,0]=3 381 B9R1.2 COC1=CC(=O)CCC1 T288349 [0,1,0,1,0,0|1,0,1]=4 382 B9R1.7 CCCC1=NNC(=O)C1 PH011118 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.8 CCOC1CCCCO1 S359033 [0,1,0,1,0,0|0,0,2]=4 384 B9R1.8 COCC1CCCCN1 CDS005671 [0,1,0,1,0,0|1,0,1]=4 385 B9R1.12 CCCCC1=CC=CO1 CDS001204 [0,1,0,1,0,0|1,0,1]=4 386 B9R1.12 CCCCC1=NCCS1 PH008233 [0,1,0,1,0,0|1,1,0]=4 387 B9R1.12 CCCCC1OCCO1 T330108 [0,1,0,1,0,0|0,0,2]=4 388 B9R1.15 CC\1CCCC/C1=N\O PH001354 [0,1,0,1,0,0|1,0,1]=4 389 B9R1.15 COC1CCCC=C1Br T261521 [0,1,0,1,0,0|1,0,1]=4 390 B9R1.15 NCC1=C(CCCC1)Cl T162965 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.22 CCC1CC(=O)NN1C PH013333 [0,1,0,1,0,0|1,0,0]=3 392 B9R1.33 C=CCC1CCOC1=O T230685 [0,1,0,1,0,0|0,0,2]=4 393 B9R1.33 NCCN1CCOC1=O CBR01024 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.33 O=C1OCCN1CCO CDS013723 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.49 C=C1CCCC(CC1)C T170666 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.49 CC1CNC(=O)CCN1 CBR01349 [0,1,0,1,0,0|1,0,0]=3 397 B9R1.49 CN1CCNC(=O)CC1 T298867 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.50 O=C1CC=CCCOC1 T168858 [0,1,0,1,0,0|0,0,2]=4 399 B9R1.50 OC1CCCCCOC1 T168815 [0,1,0,1,0,0|0,0,2]=4 400 B9R1.69 CC1CCC(=O)C(C1)C T295450 [0,1,0,1,0,0|1,0,0]=3 401 B9R1.69 C[C@H]1C[C@H](COC1=O)C T269239 [0,1,0,1,0,0|0,0,0]=2 402 B9R1.75 O=C(CCCl)NC1CC1 CBR00331 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.90 CCC1NC(=O)C1CC T173827 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.183 CCOC(=O)C1CC1C R425907 [0,1,0,1,0,0|0,0,0]=2 405 B9R1.183 CCOC(=O)C1OC1C S462349 [0,1,0,1,0,0|1,0,0]=3 406 B9R1.3 CC1=C(CCCC1=O)Cl S884774 [0,1,0,1,0,0|1,0,1]=4 407 B9R1.3 CC1=C(CCCC1=O)O PH001252 [0,1,0,1,0,0|1,0,1]=4 408 B9R1.3 CC1=CCCC(C1=O)C T297577 [0,1,0,1,0,0|1,0,1]=4 409 B9R1.3 CC1CCCC(=O)C1C CDS023514 [0,1,0,1,0,0|1,0,0]=3 410 B9R1.3 CC1NCCN(C1=O)C CBR01897 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.3 CC1NCCN(C1=O)C CDS012281 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [0,1,0,1,0,0|1,0,0]=3 413 B9R1.5 O=C1CCCCCC1=O PH003588 [0,1,0,1,0,0|1,0,0]=3 414 B9R1.11 CCC(=O)C1=CCCC1 T246662 [0,1,0,1,0,0|1,0,1]=4 415 B9R1.11 CCC(=O)C1CCOC1 CDS024301 [0,1,0,1,0,0|1,0,0]=3 416 B9R1.11 CNC(=O)C1CCCN1 CDS023077 [0,1,0,1,0,0|1,0,0]=3 417 B9R1.11 COC(=O)C1CCCN1 CDS003215 [0,1,0,1,0,0|0,0,0]=2 418 B9R1.11 COC(=O)C1CCCN1 CDS004943 [0,1,0,1,0,0|0,0,0]=2 419 B9R1.11 COC(=O)[C@@H]1CCOC1 PHB00042 [0,1,0,1,0,0|0,0,0]=2 420 B9R1.11 NNC(=O)C1CCCC1 CDS005918 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.11 NNC(=O)C1CCCO1 CDS015210 [0,1,0,1,0,0|2,0,0]=4 422 B9R1.11 O=C(CCl)N1CCCC1 OTV000117 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.88 C=CC1CC1C(=O)NC T199583 [0,1,0,1,0,0|1,0,1]=4 424 B9R1.88 C=CC1CC1C(=O)NC T199591 [0,1,0,1,0,0|1,0,1]=4 425 B9R1.186 COC(=O)C1(CCC1)N CDS020914 [0,1,0,1,0,0|0,0,0]=2 426 B9R1.1 COC1CC=C(CC1)C T196010 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.1 COC1CCC(CC1)N CDS024278 [0,1,0,1,0,0|1,0,1]=4 428 B9R1.1 N#CC1CCC(=O)CC1 CDS023626 [0,1,0,1,0,0|1,0,1]=4 429 B9R1.1 O=C1CCC(CC1)CO CDS017814 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.79 COC(=O)C=C1COC1 SYX00415 [0,1,0,1,0,0|0,0,2]=4 431 B9R1.89 C(=O)N1CCCCCC1 S430455 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.89 O=CC1CCCCCC1 PH015086 [0,1,0,1,0,0|1,0,1]=4 433 B9R1.6 CC(N)C1=CCCCC1 CBR01205 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.6 CC(O)C1=CCCCC1 PH015453 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.23 CN1CC(CC1=O)CN CBR00012 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.35 C=C(Br)C1COC(=O)C1 T254126 [0,1,0,1,0,0|0,0,2]=4 437 B9R1.40 CC1(CNCCC1=O)C PHB00252 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.125 CC1(COC(=O)N1)CO S756229 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.185 CC1(CC1C(=O)NN)C CBR01561 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.185 CCC(=O)C1CC1(C)C CDS023554 [0,1,0,1,0,0|1,0,0]=3 441 B9R2.20 O=C1C=CC2C1CC2 T178160 [0,0,0,2,0,0|1,0,1]=4 442 B9R2.20 [C@H]12CCC(=O)[C@H]1CC2 T177652 [0,0,0,2,0,0|1,0,0]=3 443 B9R2.39 C=C1CC2CCC1C2 R229288 [0,0,0,2,0,0|2,0,0]=4 444 B9R2.19 O=C1CCC2CC1O2 T173428 [0,0,0,2,0,0|2,0,0]=4 445 B9R2.109 O=C1CCCC2C1C2 T179566 [0,0,0,2,0,0|1,0,0]=3 446 B9R2.7 [C@H]12CCC[C@H]1C(=O)N2 T191981 [0,0,0,2,0,0|1,0,0]=3