0 B8R1.22 C=C1OCCCCO1 A10906 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.22 CN1CCCNCC1 63976 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.22 C[C@H]1CCCNCC1 72644 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.22 ClC1CCCCCC1 D81846 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.22 NC1CCCCCC1 F19821 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.22 N[C@H]1CCCCNC1 51061 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.22 N[C@H]1CCCCNC1 51996 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.22 N[C@H]1CCCCNC1 A56046 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.22 O=C1C=CCCCC1 S10329 [0,0,0,0,0,0|1,0,1]=2 9 B8R1.22 O=C1CCCCCN1 D70254 [0,0,0,0,0,0|0,0,0]=0 10 B8R1.22 O=C1CCCCCO1 D70255 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.22 O=C1CCCNCC1 VT1100 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.22 O=C1CCNCCN1 23498 [0,0,0,0,0,0|1,0,0]=1 13 B8R1.22 O=C1CCOCCN1 F13212 [0,0,0,0,0,0|1,0,0]=1 14 B8R1.22 O=C1CCSCCN1 W16383 [0,0,0,0,0,0|1,0,0]=1 15 B8R1.22 O=C1CNCCCN1 71619 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.22 O=C1CNCCCN1 86465 [0,0,0,0,0,0|1,0,0]=1 17 B8R1.22 OC1CCCCCC1 D89285 [0,0,0,0,0,0|1,0,2]=3 18 B8R1.22 O[C@H]1CCCNCC1 36657 [0,0,0,0,0,0|2,0,2]=4 19 B8R1.22 O[C@H]1CCCNCC1 62252 [0,0,0,0,0,0|2,0,2]=4 20 B7R1.24 C1CNCCNC1 F10906 [1,0,0,0,0,0|1,0,1]=3 21 B7R1.24 C1CNCCOC1 31105 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.5 CN1CCCCCC1=O F20350 [0,1,0,0,0,0|0,0,0]=1 23 B9R1.5 CN1CCNCCC1=O Y10627 [0,1,0,0,0,0|1,0,0]=2 24 B9R1.5 N[C@H]1CCCCNC1=O 36347 [0,1,0,0,0,0|0,0,0]=1 25 B9R1.5 N[C@H]1CCCCNC1=O 52018 [0,1,0,0,0,0|0,0,0]=1 26 B9R1.5 N[C@H]1CCCCNC1=O A56019 [0,1,0,0,0,0|0,0,0]=1 27 B9R1.5 N[C@H]1CCCCNC1=O A56021 [0,1,0,0,0,0|0,0,0]=1 28 B9R1.5 N[C@H]1CCCCNC1=O Y10023 [0,1,0,0,0,0|0,0,0]=1 29 B9R1.48 O=C1CCCCC(=O)C1 35108 [0,1,0,0,0,0|1,0,1]=3 30 B9R1.48 O=C1CCCCC(=O)O1 F20518 [0,1,0,0,0,0|1,0,1]=3 31 B9R1.48 O=C1CCCCC(=S)N1 D95361 [0,1,0,0,0,0|0,0,1]=2 32 B9R1.49 CN1CCCC(=O)CC1 34283 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.49 CN1CCC[C@H](O)CC1 63485 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.49 CN1CCNC(=O)CC1 64338 [0,1,0,0,0,0|1,0,0]=2 35 B9R1.89 CNC1CCCCCC1 D95799 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.89 COC1=NCCCCC1 78135 [0,1,0,0,0,0|0,0,2]=3 37 B9R1.89 O=NN1CCCCCC1 D93582 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.89 OCC1CCCCCC1 A11790 [0,1,0,0,0,0|1,0,2]=4 39 B9R1.89 ON=C1CCCCCC1 D89425 [0,1,0,0,0,0|1,0,1]=3 40 B9R1.148 CC1(O)CCCCCC1 D93172 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.1 BrCCCCCCBr D77996 [0,0,1,0,0,0|2,0,1]=4 42 B7R0.1 C#CCCCCCO 35608 [0,0,1,0,0,0|2,0,1]=4 43 B7R0.1 C=CCCCCC=C F19559 [0,0,1,0,0,0|2,0,1]=4 44 B7R0.1 C=CCCCCCBr 34943 [0,0,1,0,0,0|2,0,0]=3 45 B7R0.1 C=CCCCCNC C75624 [0,0,1,0,0,0|3,0,0]=4 46 B7R0.1 C=CCOCCCC D88441 [0,0,1,0,0,0|3,0,0]=4 47 B7R0.1 CCCCCCCBr D78084 [0,0,1,0,0,0|2,0,1]=4 48 B7R0.1 CCCCCCCI D70828 [0,0,1,0,0,0|2,0,1]=4 49 B7R0.1 CCCCCCCS D90781 [0,0,1,0,0,0|1,1,1]=4 50 B7R0.1 CCCC\C=C\C=O 39424 [0,0,1,0,0,0|1,0,1]=3 51 B7R0.1 COCCOCCN F19842 [0,0,1,0,0,0|3,0,0]=4 52 B7R0.1 ClCCCCCCBr AC1307 [0,0,1,0,0,0|2,0,1]=4 53 B7R0.1 ClCCCCCCI O10399 [0,0,1,0,0,0|2,0,1]=4 54 B7R0.1 ICCCCCCI D78160 [0,0,1,0,0,0|2,0,1]=4 55 B7R0.1 N#CCCCCCBr 76351 [0,0,1,0,0,0|2,0,1]=4 56 B7R0.1 N#CCCCCCN D92992 [0,0,1,0,0,0|1,0,1]=3 57 B7R0.1 NCCCCCCN H11757 [0,0,1,0,0,0|1,0,1]=3 58 B7R0.1 NCCCCCCO 74060 [0,0,1,0,0,0|0,0,2]=3 59 B7R0.1 NCCCNCCBr 37146 [0,0,1,0,0,0|2,0,1]=4 60 B7R0.1 NCCCNCCO 37148 [0,0,1,0,0,0|1,0,2]=4 61 B7R0.1 NCCNCCCO H11394 [0,0,1,0,0,0|1,0,2]=4 62 B7R0.1 OCCCCCCBr 34408 [0,0,1,0,0,0|1,0,2]=4 63 B7R0.1 OCCCCCCCl D70146 [0,0,1,0,0,0|1,0,2]=4 64 B7R0.1 OCCCCCCS N11988 [0,0,1,0,0,0|1,0,2]=4 65 B7R0.1 SCCCCCCS D90840 [0,0,1,0,0,0|1,1,1]=4 66 B7R0.3 C=CC(=O)NCCN S10694 [0,0,1,0,0,0|1,0,2]=4 67 B7R0.3 C=CC(=O)NCCO D78367 [0,0,1,0,0,0|1,0,2]=4 68 B7R0.3 CCCCC(=O)CC D90783 [0,0,1,0,0,0|1,0,0]=2 69 B7R0.3 CCCCC(=O)NN 74164 [0,0,1,0,0,0|1,0,0]=2 70 B7R0.3 CCCOC(=O)OC D83836 [0,0,1,0,0,0|2,0,0]=3 71 B7R0.3 CC\C=C\C(=O)OC S12000 [0,0,1,0,0,0|1,0,2]=4 72 B7R0.3 CNCCC(=O)NC 30723 [0,0,1,0,0,0|1,0,0]=2 73 B7R0.3 CNCCC(=O)OC 32388 [0,0,1,0,0,0|2,0,0]=3 74 B7R0.3 COC(=O)CCC#N 82641 [0,0,1,0,0,0|2,0,1]=4 75 B7R0.3 COC(=O)CCC=O 63110 [0,0,1,0,0,0|2,0,1]=4 76 B7R0.3 COC(=O)CCCBr S11981 [0,0,1,0,0,0|2,0,0]=3 77 B7R0.3 COC(=O)CCCCl 28856 [0,0,1,0,0,0|2,0,0]=3 78 B7R0.3 COC(=O)CCCN 64233 [0,0,1,0,0,0|2,0,0]=3 79 B7R0.4 C#CCCCC(=O)O F14123 [0,0,1,0,0,0|1,0,2]=4 80 B7R0.4 C=CCCCC(=O)O D86337 [0,0,1,0,0,0|1,0,2]=4 81 B7R0.4 C=CCCOC(C)=O 74074 [0,0,1,0,0,0|1,0,2]=4 82 B7R0.4 CC(=O)CCCC#N D91224 [0,0,1,0,0,0|2,0,1]=4 83 B7R0.4 CC(=O)CCCCCl D89394 [0,0,1,0,0,0|2,0,0]=3 84 B7R0.4 CC(=O)OCCCCl 22019 [0,0,1,0,0,0|2,0,0]=3 85 B7R0.4 CC(=O)SCCCO D86667 [0,0,1,0,0,0|2,0,0]=3 86 B7R0.4 CC(C)NCCCO H11834 [0,0,1,0,0,0|2,0,1]=4 87 B7R0.4 CCCCCB(O)O 33673 [0,0,1,0,0,0|2,0,1]=4 88 B7R0.4 CCCCCC(=O)[O-] D82015 [0,0,1,0,0,0|1,0,0]=2 89 B7R0.4 CCCCCC(N)=O D89187 [0,0,1,0,0,0|0,0,0]=1 90 B7R0.4 CCCCC[C@H](C)N D90921 [0,0,1,0,0,0|1,0,1]=3 91 B7R0.4 CCCCC[C@H](C)O D83253 [0,0,1,0,0,0|1,0,2]=4 92 B7R0.4 CCCCNC(N)=O D88864 [0,0,1,0,0,0|1,0,0]=2 93 B7R0.4 CCCCNC(N)=S T70321 [0,0,1,0,0,0|1,1,0]=3 94 B7R0.4 CCCCOC(=S)[S-] D82014 [0,0,1,0,0,0|2,1,0]=4 95 B7R0.4 CCCCOC(C)C D93400 [0,0,1,0,0,0|2,0,1]=4 96 B7R0.4 CCCCOC(N)=O D89279 [0,0,1,0,0,0|1,0,0]=2 97 B7R0.4 CCCCSC(C)=O 79049 [0,0,1,0,0,0|1,0,0]=2 98 B7R0.4 CCC\C=C\C(=O)O C10700 [0,0,1,0,0,0|1,0,2]=4 99 B7R0.4 CCC\C=C\C(C)=O F17581 [0,0,1,0,0,0|1,0,1]=3 100 B7R0.4 CC\C=C\CC(=O)O D82088 [0,0,1,0,0,0|1,0,2]=4 101 B7R0.4 CNCCCC(=O)O 20515 [0,0,1,0,0,0|2,0,0]=3 102 B7R0.4 CNCCCC(=O)O AB7427 [0,0,1,0,0,0|2,0,0]=3 103 B7R0.4 N#CCCCC(=O)O RB3314 [0,0,1,0,0,0|2,0,1]=4 104 B7R0.4 NC(=O)COCCCl F15040 [0,0,1,0,0,0|2,0,0]=3 105 B7R0.4 NCCCCC(=O)O 76219 [0,0,1,0,0,0|2,0,0]=3 106 B7R0.4 NCCCCC(=O)O D78140 [0,0,1,0,0,0|2,0,0]=3 107 B7R0.4 NCCOCC(=O)O AT23391 [0,0,1,0,0,0|3,0,0]=4 108 B7R0.4 O=C(Cl)CCCCBr H11319 [0,0,1,0,0,0|2,0,0]=3 109 B7R0.4 O=C(Cl)CCCCCl D89459 [0,0,1,0,0,0|2,0,0]=3 110 B7R0.4 O=C(Cl)OCCCCl D89474 [0,0,1,0,0,0|3,0,0]=4 111 B7R0.4 O=C(O)CCCCBr 76255 [0,0,1,0,0,0|2,0,0]=3 112 B7R0.4 O=C(O)CCCCCl C10667 [0,0,1,0,0,0|2,0,0]=3 113 B7R0.4 O=C(O)CNCCO AB10154 [0,0,1,0,0,0|3,0,0]=4 114 B7R0.4 O=C(O)COCCCl 29961 [0,0,1,0,0,0|3,0,0]=4 115 B7R0.4 O=C([O-])CCCCO F13839 [0,0,1,0,0,0|2,0,0]=3 116 B7R0.7 C=CCC(=O)OCC 74919 [0,0,1,0,0,0|1,0,2]=4 117 B7R0.7 CC#CC(=O)OCC 33793 [0,0,1,0,0,0|1,0,2]=4 118 B7R0.7 CCCC(=O)OCCl F20378 [0,0,1,0,0,0|2,0,0]=3 119 B7R0.7 CCCC(N)CCC 28065 [0,0,1,0,0,0|2,0,1]=4 120 B7R0.7 CCCC(O)CCC H10221 [0,0,1,0,0,0|1,0,2]=4 121 B7R0.7 CCCN(C)CCC D95729 [0,0,1,0,0,0|3,0,0]=4 122 B7R0.7 CCNC(=O)CC#N S10551 [0,0,1,0,0,0|1,0,1]=3 123 B7R0.7 CCNC(=O)NCC F11262 [0,0,1,0,0,0|1,0,0]=2 124 B7R0.7 CCOC(=O)CCBr F11254 [0,0,1,0,0,0|2,0,0]=3 125 B7R0.7 CCOC(=O)CCCl D89381 [0,0,1,0,0,0|2,0,0]=3 126 B7R0.7 CCOC(=O)CCI 23721 [0,0,1,0,0,0|2,0,0]=3 127 B7R0.7 CCOC(=O)CCN AC7506 [0,0,1,0,0,0|2,0,0]=3 128 B7R0.7 CCOC(=O)CCO 30936 [0,0,1,0,0,0|2,0,0]=3 129 B7R0.7 CCOC(=O)CCS D87716 [0,0,1,0,0,0|2,0,0]=3 130 B7R0.7 CCOC(=O)CNC 73271 [0,0,1,0,0,0|2,0,0]=3 131 B7R0.7 CCOC(=O)CNN 35068 [0,0,1,0,0,0|3,0,0]=4 132 B7R0.7 CCOC(=O)COC F11239 [0,0,1,0,0,0|2,0,0]=3 133 B7R0.7 CCOC(=O)CSC I10203 [0,0,1,0,0,0|2,0,0]=3 134 B7R0.7 CCOC(=O)OCC D97668 [0,0,1,0,0,0|2,0,0]=3 135 B7R0.7 CCOC(=O)OCCl 23781 [0,0,1,0,0,0|3,0,0]=4 136 B7R0.7 CCO[PH](=O)OCC 28436 [0,0,1,0,0,0|3,0,0]=4 137 B7R0.7 O=C(CCCl)CCCl 35039 [0,0,1,0,0,0|3,0,0]=4 138 B7R0.7 O=C(NCO)NCO H11231 [0,0,1,0,0,0|3,0,0]=4 139 B7R0.7 [C-]#[N+]CC(=O)OCC 23174 [0,0,1,0,0,0|2,0,1]=4 140 B9R2.7 O=C1CC2C=CCC12 54049 [0,0,0,1,0,0|1,0,2]=4 141 B9R2.109 O=C1CCCC2OC12 AB10163 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.3 BrC1=CCCCC1 N12373 [0,0,0,0,1,0|1,0,1]=3 143 B7R1.3 BrC1CCCCC1 P19773 [0,0,0,0,1,0|1,0,1]=3 144 B7R1.3 BrC1CCNCC1 CL3102 [0,0,0,0,1,0|2,0,1]=4 145 B7R1.3 BrC1CCOCC1 34656 [0,0,0,0,1,0|2,0,1]=4 146 B7R1.3 Br[C@H]1CCCNC1 P16558 [0,0,0,0,1,0|2,0,1]=4 147 B7R1.3 Br[C@H]1CCCOC1 26576 [0,0,0,0,1,0|2,0,1]=4 148 B7R1.3 CC1=CCCCC1 H10759 [0,0,0,0,1,0|1,0,1]=3 149 B7R1.3 CC1=CCCNC1 39250 [0,0,0,0,1,0|2,0,1]=4 150 B7R1.3 CC1=CCNCC1 39249 [0,0,0,0,1,0|2,0,1]=4 151 B7R1.3 CN1CCNCC1 D70771 [0,0,0,0,1,0|3,0,0]=4 152 B7R1.3 CN1CCOCC1 AB7556 [0,0,0,0,1,0|3,0,0]=4 153 B7R1.3 C[C@H]1CCCCN1 64251 [0,0,0,0,1,0|1,0,1]=3 154 B7R1.3 C[C@H]1CCCCN1 64253 [0,0,0,0,1,0|1,0,1]=3 155 B7R1.3 C[C@H]1CCCNC1 79119 [0,0,0,0,1,0|2,0,1]=4 156 B7R1.3 C[C@H]1CCCNC1 N10739 [0,0,0,0,1,0|2,0,1]=4 157 B7R1.3 C[C@H]1CNCCN1 29363 [0,0,0,0,1,0|2,0,1]=4 158 B7R1.3 C[C@H]1CNCCN1 29364 [0,0,0,0,1,0|2,0,1]=4 159 B7R1.3 C[C@H]1CNCCN1 29365 [0,0,0,0,1,0|2,0,1]=4 160 B7R1.3 C[C@H]1CNCCN1 29366 [0,0,0,0,1,0|2,0,1]=4 161 B7R1.3 C[C@H]1COCCN1 24436 [0,0,0,0,1,0|2,0,1]=4 162 B7R1.3 C[C@H]1COCCN1 25281 [0,0,0,0,1,0|2,0,1]=4 163 B7R1.3 C[C@H]1COCCN1 36208 [0,0,0,0,1,0|2,0,1]=4 164 B7R1.3 C[C@H]1COCCN1 39286 [0,0,0,0,1,0|2,0,1]=4 165 B7R1.3 C[C@H]1COCCN1 63476 [0,0,0,0,1,0|2,0,1]=4 166 B7R1.3 ClC1CCNCC1 57750 [0,0,0,0,1,0|2,0,1]=4 167 B7R1.3 ClC1CCOCC1 F17652 [0,0,0,0,1,0|2,0,1]=4 168 B7R1.3 FC1CCNCC1 37042 [0,0,0,0,1,0|2,0,1]=4 169 B7R1.3 FC1CCNCC1 I11481 [0,0,0,0,1,0|2,0,1]=4 170 B7R1.3 F[C@H]1CCCNC1 37083 [0,0,0,0,1,0|2,0,1]=4 171 B7R1.3 IC1CCCCC1 F20359 [0,0,0,0,1,0|1,0,1]=3 172 B7R1.3 IC1CCOCC1 25900 [0,0,0,0,1,0|2,0,1]=4 173 B7R1.3 NC1CCNCC1 66081 [0,0,0,0,1,0|2,0,1]=4 174 B7R1.3 NC1CCNCC1 66087 [0,0,0,0,1,0|2,0,1]=4 175 B7R1.3 NC1CCOCC1 66544 [0,0,0,0,1,0|2,0,1]=4 176 B7R1.3 NC1CCOCC1 83442 [0,0,0,0,1,0|2,0,1]=4 177 B7R1.3 NC1CCOCC1 D95622 [0,0,0,0,1,0|2,0,1]=4 178 B7R1.3 NC1CCSCC1 F15695 [0,0,0,0,1,0|2,0,1]=4 179 B7R1.3 NC1CCSCC1 SC1591 [0,0,0,0,1,0|2,0,1]=4 180 B7R1.3 NN1CCCCC1 77856 [0,0,0,0,1,0|2,0,0]=3 181 B7R1.3 NN1CCCCC1 78303 [0,0,0,0,1,0|2,0,0]=3 182 B7R1.3 NN1CCOCC1 28683 [0,0,0,0,1,0|3,0,0]=4 183 B7R1.3 N[C@H]1CCCNC1 51800 [0,0,0,0,1,0|2,0,1]=4 184 B7R1.3 N[C@H]1CCCNC1 51802 [0,0,0,0,1,0|2,0,1]=4 185 B7R1.3 N[C@H]1CCCNC1 51816 [0,0,0,0,1,0|2,0,1]=4 186 B7R1.3 N[C@H]1CCCNC1 D77676 [0,0,0,0,1,0|2,0,1]=4 187 B7R1.3 N[C@H]1CCCOC1 53314 [0,0,0,0,1,0|2,0,1]=4 188 B7R1.3 N[C@H]1CCCOC1 69737 [0,0,0,0,1,0|2,0,1]=4 189 B7R1.3 N[C@H]1CCCOC1 P10539 [0,0,0,0,1,0|2,0,1]=4 190 B7R1.3 O=C1C=CCCO1 71011 [0,0,0,0,1,0|1,0,2]=4 191 B7R1.3 O=C1CCCCN1 F10312 [0,0,0,0,1,0|0,0,0]=1 192 B7R1.3 O=C1CCCCO1 20506 [0,0,0,0,1,0|1,0,0]=2 193 B7R1.3 O=C1CCCNC1 36189 [0,0,0,0,1,0|1,0,0]=2 194 B7R1.3 O=C1CCCNC1 65124 [0,0,0,0,1,0|1,0,0]=2 195 B7R1.3 O=C1CCCOC1 67990 [0,0,0,0,1,0|1,0,0]=2 196 B7R1.3 O=C1CCCSC1 38182 [0,0,0,0,1,0|1,0,0]=2 197 B7R1.3 O=C1CCNCC1 AB2978 [0,0,0,0,1,0|1,0,0]=2 198 B7R1.3 O=C1CCNCC1 AB7716 [0,0,0,0,1,0|1,0,0]=2 199 B7R1.3 O=C1CCOCC1 28100 [0,0,0,0,1,0|1,0,0]=2 200 B7R1.3 O=C1CCSCC1 34742 [0,0,0,0,1,0|1,0,0]=2 201 B7R1.3 O=C1CNCCN1 65258 [0,0,0,0,1,0|1,0,0]=2 202 B7R1.3 O=C1COCCN1 35814 [0,0,0,0,1,0|1,0,0]=2 203 B7R1.3 O=C1COCCO1 39291 [0,0,0,0,1,0|2,0,0]=3 204 B7R1.3 O=C1NCCCN1 F14817 [0,0,0,0,1,0|1,0,0]=2 205 B7R1.3 O=C1NCCCO1 30441 [0,0,0,0,1,0|1,0,0]=2 206 B7R1.3 O=C1OCCCO1 F20507 [0,0,0,0,1,0|2,0,0]=3 207 B7R1.3 O=S1CCNCC1 C10519 [0,0,0,0,1,0|2,0,0]=3 208 B7R1.3 O=S1OCCCO1 D90284 [0,0,0,0,1,0|3,0,0]=4 209 B7R1.3 OC1CCNCC1 34448 [0,0,0,0,1,0|1,0,2]=4 210 B7R1.3 OC1CCNCC1 67739 [0,0,0,0,1,0|1,0,2]=4 211 B7R1.3 OC1CCOCC1 67293 [0,0,0,0,1,0|1,0,2]=4 212 B7R1.3 OC1CCSCC1 25187 [0,0,0,0,1,0|1,0,2]=4 213 B7R1.3 ON1CCCCC1 65654 [0,0,0,0,1,0|1,0,1]=3 214 B7R1.3 O[C@@H]1CCCCO1 F19855 [0,0,0,0,1,0|1,0,2]=4 215 B7R1.3 O[C@H]1CCCNC1 29155 [0,0,0,0,1,0|1,0,2]=4 216 B7R1.3 O[C@H]1CCCNC1 29156 [0,0,0,0,1,0|1,0,2]=4 217 B7R1.3 O[C@H]1CCCNC1 29157 [0,0,0,0,1,0|1,0,2]=4 218 B7R1.3 O[C@H]1CCCNC1 37164 [0,0,0,0,1,0|1,0,2]=4 219 B7R1.3 O[C@H]1CCCNC1 67738 [0,0,0,0,1,0|1,0,2]=4 220 B7R1.3 O[C@H]1CCCNC1 P10773 [0,0,0,0,1,0|1,0,2]=4 221 B7R1.3 O[C@H]1CCCOC1 25828 [0,0,0,0,1,0|1,0,2]=4 222 B7R1.3 S=C1NCCCN1 D97545 [0,0,0,0,1,0|1,1,0]=3 223 B9R1.50 NC1CCCCCCC1 D89372 [0,0,0,0,0,1|2,0,1]=4 224 B9R1.50 O=C1CCCCCCC1 78195 [0,0,0,0,0,1|1,0,0]=2 225 B9R1.50 O=C1CCCCCCN1 35268 [0,0,0,0,0,1|0,0,0]=1 226 B9R1.50 O=C1CCCCCCO1 D94278 [0,0,0,0,0,1|1,0,0]=2 227 B9R1.50 OC1CCCCCCC1 D89280 [0,0,0,0,0,1|1,0,2]=4 228 B6R0.6 BrCCCCCBr D70772 [1,0,1,0,0,0|2,0,0]=4 229 B6R0.6 C=CCCCCBr F14895 [1,0,1,0,0,0|1,0,1]=4 230 B6R0.6 C=CCCCCCl N11935 [1,0,1,0,0,0|1,0,1]=4 231 B6R0.6 C=CCCCCO 35574 [1,0,1,0,0,0|1,0,1]=4 232 B6R0.6 C=COCCCN 75654 [1,0,1,0,0,0|1,0,1]=4 233 B6R0.6 CCCC=CC=O D78252 [1,0,1,0,0,0|0,0,2]=4 234 B6R0.6 CCCCCCI F20355 [1,0,1,0,0,0|1,0,1]=4 235 B6R0.6 CCCCCCN F19564 [1,0,1,0,0,0|0,0,1]=3 236 B6R0.6 CCCCCNC D91584 [1,0,1,0,0,0|0,0,1]=3 237 B6R0.6 CCCNCCC D89745 [1,0,1,0,0,0|0,0,1]=3 238 B6R0.6 CCCNCCO C10761 [1,0,1,0,0,0|1,0,1]=4 239 B6R0.6 CCC\C=C\CO D78301 [1,0,1,0,0,0|2,0,0]=4 240 B6R0.6 CCNCCCN D82016 [1,0,1,0,0,0|1,0,1]=4 241 B6R0.6 CCNCCCO 31655 [1,0,1,0,0,0|1,0,1]=4 242 B6R0.6 CCNCCOC H11999 [1,0,1,0,0,0|1,0,1]=4 243 B6R0.6 CC\C=C/CCO 73722 [1,0,1,0,0,0|2,0,0]=4 244 B6R0.6 CNCCCCO F10210 [1,0,1,0,0,0|1,0,1]=4 245 B6R0.6 ClCCCCCBr S10881 [1,0,1,0,0,0|2,0,0]=4 246 B6R0.6 ClCCCCCI A10955 [1,0,1,0,0,0|2,0,0]=4 247 B6R0.6 FCCCCCBr 24471 [1,0,1,0,0,0|2,0,0]=4 248 B6R0.6 ICCCCCI P10001 [1,0,1,0,0,0|2,0,0]=4 249 B6R0.6 N#CCCCCN S10714 [1,0,1,0,0,0|1,0,1]=4 250 B6R0.6 NCCCCCN D83408 [1,0,1,0,0,0|1,0,0]=3 251 B6R0.6 NCCCCCO I11482 [1,0,1,0,0,0|0,0,1]=3 252 B6R0.6 NCCNCCO D77720 [1,0,1,0,0,0|1,0,1]=4 253 B6R0.6 NCCOCCN 75244 [1,0,1,0,0,0|2,0,0]=4 254 B6R0.6 NCCOCCN 75301 [1,0,1,0,0,0|2,0,0]=4 255 B6R0.6 NCCOCCO C70233 [1,0,1,0,0,0|1,0,1]=4 256 B6R0.6 NCCSCCN FD10524 [1,0,1,0,0,0|2,0,0]=4 257 B6R0.6 O=CCCCCCl C10094 [1,0,1,0,0,0|1,0,0]=3 258 B6R0.6 O=CCCCCO F19841 [1,0,1,0,0,0|1,0,0]=3 259 B6R0.6 OCCCCCBr 23140 [1,0,1,0,0,0|1,0,1]=4 260 B6R0.6 OCCCCCCl O11412 [1,0,1,0,0,0|1,0,1]=4 261 B6R0.6 SCCCCCS D92137 [1,0,1,0,0,0|1,1,0]=4 262 B6R0.1 C=CC(=O)NCC AB9195 [1,0,1,0,0,0|0,0,2]=4 263 B6R0.1 CCC(=O)CC#N 28991 [1,0,1,0,0,0|1,0,1]=4 264 B6R0.1 CCCC(=O)CC D90801 [1,0,1,0,0,0|0,0,0]=2 265 B6R0.1 CCCC(=O)NN O11707 [1,0,1,0,0,0|1,0,0]=3 266 B6R0.1 CCCC(=O)SC D91533 [1,0,1,0,0,0|1,0,0]=3 267 B6R0.1 CCC[C@@H](Cl)CC D76318 [1,0,1,0,0,0|1,0,1]=4 268 B6R0.1 CCOC(=N)CC W15737 [1,0,1,0,0,0|2,0,0]=4 269 B6R0.1 CCOC(=O)CN C93496 [1,0,1,0,0,0|2,0,0]=4 270 B6R0.1 CCOC(=O)CO 39380 [1,0,1,0,0,0|2,0,0]=4 271 B6R0.1 CCOC(=O)CS F21271 [1,0,1,0,0,0|2,0,0]=4 272 B6R0.1 CCOC(=O)NC D91332 [1,0,1,0,0,0|1,0,0]=3 273 B6R0.1 CCOC(=O)NN D77690 [1,0,1,0,0,0|2,0,0]=4 274 B6R0.1 CCOC(=O)OC A11149 [1,0,1,0,0,0|2,0,0]=4 275 B6R0.1 CNC(=O)CC#N 23669 [1,0,1,0,0,0|1,0,1]=4 276 B6R0.1 CNCC(=O)NC 71568 [1,0,1,0,0,0|1,0,0]=3 277 B6R0.1 CNCC(=O)OC 73733 [1,0,1,0,0,0|2,0,0]=4 278 B6R0.1 COC(=O)CCBr AB7483 [1,0,1,0,0,0|2,0,0]=4 279 B6R0.1 COC(=O)CCCl D95821 [1,0,1,0,0,0|2,0,0]=4 280 B6R0.1 COC(=O)CCN S12362 [1,0,1,0,0,0|2,0,0]=4 281 B6R0.1 COC(=O)CCO 29940 [1,0,1,0,0,0|2,0,0]=4 282 B6R0.1 COC(=O)CCS D70327 [1,0,1,0,0,0|2,0,0]=4 283 B6R0.1 COC(=O)CSC D87959 [1,0,1,0,0,0|2,0,0]=4 284 B6R0.1 COCC(=O)NN F14662 [1,0,1,0,0,0|2,0,0]=4 285 B6R0.1 CONC(=O)OC D81547 [1,0,1,0,0,0|2,0,0]=4 286 B6R0.1 C\C=C\C(=O)CC 74326 [1,0,1,0,0,0|0,0,2]=4 287 B6R0.1 O=C(CCl)NCO O10755 [1,0,1,0,0,0|2,0,0]=4 288 B6R0.4 C=C(C)CNCC D95542 [1,0,1,0,0,0|2,0,0]=4 289 B6R0.4 CC(=O)CCCCl D77754 [1,0,1,0,0,0|1,0,0]=3 290 B6R0.4 CC(=O)CCCO 24602 [1,0,1,0,0,0|1,0,0]=3 291 B6R0.4 CC(=O)NCCN D70867 [1,0,1,0,0,0|1,0,0]=3 292 B6R0.4 CC(=O)NCCO FD10637 [1,0,1,0,0,0|1,0,0]=3 293 B6R0.4 CC(=O)NCCS AT13754 [1,0,1,0,0,0|1,0,0]=3 294 B6R0.4 CC(=O)OCCBr C10198 [1,0,1,0,0,0|2,0,0]=4 295 B6R0.4 CC(=O)OCCCl D88201 [1,0,1,0,0,0|2,0,0]=4 296 B6R0.4 CC(=O)OCCO D88371 [1,0,1,0,0,0|2,0,0]=4 297 B6R0.4 CCCCC(=N)N 31933 [1,0,1,0,0,0|1,0,0]=3 298 B6R0.4 CCCCC(=N)N W16181 [1,0,1,0,0,0|1,0,0]=3 299 B6R0.4 CCCCC(=O)[O-] F16484 [1,0,1,0,0,0|1,0,0]=3 300 B6R0.4 CCCCC(N)=O A10835 [1,0,1,0,0,0|0,0,0]=2 301 B6R0.4 CCCNC(C)=O D97464 [1,0,1,0,0,0|0,0,0]=2 302 B6R0.4 CCCNC(N)=S D86341 [1,0,1,0,0,0|1,1,0]=4 303 B6R0.4 CCCOC(N)=O F16337 [1,0,1,0,0,0|1,0,0]=3 304 B6R0.4 CCCSC(C)=O D92148 [1,0,1,0,0,0|1,0,0]=3 305 B6R0.4 CCSCC(=O)O D95699 [1,0,1,0,0,0|2,0,0]=4 306 B6R0.4 CNCCC(=O)O 29150 [1,0,1,0,0,0|2,0,0]=4 307 B6R0.4 CNCCC(=O)O C76064 [1,0,1,0,0,0|2,0,0]=4 308 B6R0.4 COCCC(=N)N W16180 [1,0,1,0,0,0|2,0,0]=4 309 B6R0.4 COCCC(=O)O F14687 [1,0,1,0,0,0|2,0,0]=4 310 B6R0.4 CSCCC(=O)O D87669 [1,0,1,0,0,0|2,0,0]=4 311 B6R0.4 CSCCC(C)=O D91573 [1,0,1,0,0,0|1,0,0]=3 312 B6R0.4 CSCOC(C)=O D88428 [1,0,1,0,0,0|2,0,0]=4 313 B6R0.4 NC(=O)NCCO C10765 [1,0,1,0,0,0|2,0,0]=4 314 B6R0.4 NCCCC(=O)O D70585 [1,0,1,0,0,0|2,0,0]=4 315 B6R0.4 NCCNC(N)=O D83060 [1,0,1,0,0,0|2,0,0]=4 316 B6R0.4 O=C(Cl)CCCBr P19996 [1,0,1,0,0,0|2,0,0]=4 317 B6R0.4 O=C(O)CCCBr 20498 [1,0,1,0,0,0|2,0,0]=4 318 B6R0.4 O=C(O)CCCCl F19286 [1,0,1,0,0,0|2,0,0]=4 319 B6R0.4 O=C(O)CCCS F20547 [1,0,1,0,0,0|2,0,0]=4 320 B8R0.1 CCOC(=O)CNC=O FD21624 [0,1,1,0,0,0|1,0,1]=4 321 B8R0.4 C=CCCCCCCBr 78390 [0,1,1,0,0,0|2,0,0]=4 322 B8R0.4 C=CCCCCCCCl I11995 [0,1,1,0,0,0|2,0,0]=4 323 B8R0.4 CCCCCCCCN D91873 [0,1,1,0,0,0|1,0,1]=4 324 B8R0.4 CCCCCCCCN D91878 [0,1,1,0,0,0|1,0,1]=4 325 B8R0.4 CCCCCCCNC D82019 [0,1,1,0,0,0|1,0,1]=4 326 B8R0.4 CCCCC\C=C\C=O D91827 [0,1,1,0,0,0|1,0,0]=3 327 B8R0.4 CCCCC\C=C\CO D91843 [0,1,1,0,0,0|1,0,1]=4 328 B8R0.4 CC\C=C/CCOC=O D95718 [0,1,1,0,0,0|1,0,1]=4 329 B8R0.4 COCCOCCCN A10954 [0,1,1,0,0,0|2,0,0]=4 330 B8R0.4 NCCCCCCCN O11823 [0,1,1,0,0,0|1,0,1]=4 331 B8R0.4 NCCCOCCCN T70571 [0,1,1,0,0,0|1,0,1]=4 332 B8R0.6 C=CC(=O)CCCCC D71008 [0,1,1,0,0,0|2,0,0]=4 333 B8R0.6 C=C[C@@H](O)CCCCC D91822 [0,1,1,0,0,0|2,0,0]=4 334 B8R0.6 NCCCC[C@H](N)CO F52525 [0,1,1,0,0,0|0,0,2]=4 335 B8R0.7 C#CCCCCC(=O)O 76366 [0,1,1,0,0,0|1,0,1]=4 336 B8R0.7 C=CCCCCC(=O)O I11996 [0,1,1,0,0,0|1,0,1]=4 337 B8R0.7 CC(=O)OCCCCBr F16811 [0,1,1,0,0,0|2,0,0]=4 338 B8R0.7 CC(=O)OCCCCCl H10679 [0,1,1,0,0,0|2,0,0]=4 339 B8R0.7 CCCCCCC(=O)Cl A10863 [0,1,1,0,0,0|1,0,0]=3 340 B8R0.7 CCCCCCC(=O)[O-] D90422 [0,1,1,0,0,0|1,0,0]=3 341 B8R0.7 CCCCCCC(N)=O D93021 [0,1,1,0,0,0|1,0,0]=3 342 B8R0.7 CCCCCOC(=O)Cl D89273 [0,1,1,0,0,0|1,0,0]=3 343 B8R0.7 CCCCCOC(=S)[S-] D88265 [0,1,1,0,0,0|1,1,0]=4 344 B8R0.7 CCCCOCC(=O)O AC1559 [0,1,1,0,0,0|2,0,0]=4 345 B8R0.7 CCCC\C=C\C(=O)O D90864 [0,1,1,0,0,0|1,0,1]=4 346 B8R0.7 CSCCCOC(C)=O D91595 [0,1,1,0,0,0|2,0,0]=4 347 B8R0.7 N=C(N)NCCCCN 41225 [0,1,1,0,0,0|2,0,0]=4 348 B8R0.7 N=C(N)NCCCCN 52136 [0,1,1,0,0,0|2,0,0]=4 349 B8R0.7 N=C(N)NCCCCN C10463 [0,1,1,0,0,0|2,0,0]=4 350 B8R0.7 NC(=O)CCCCCBr 74914 [0,1,1,0,0,0|1,0,0]=3 351 B8R0.7 NCCNCCC(=O)[O-] F16459 [0,1,1,0,0,0|1,0,0]=3 352 B8R0.7 O=C(Cl)CCCCCBr D88888 [0,1,1,0,0,0|1,0,0]=3 353 B8R0.7 O=C(O)CCCCCBr F11242 [0,1,1,0,0,0|1,0,0]=3 354 B8R0.7 O=C(O)CCCCCCl D77823 [0,1,1,0,0,0|1,0,0]=3 355 B8R0.7 O=C(O)CCCCCO S10488 [0,1,1,0,0,0|1,0,0]=3 356 B8R0.7 O=C(O)CCNCCO D94998 [0,1,1,0,0,0|2,0,0]=4 357 B8R0.7 O=C([O-])CCCCCO Y10610 [0,1,1,0,0,0|1,0,0]=3 358 B8R0.3 CCC[C@H](C)C(=O)OC D92993 [0,1,1,0,0,0|1,0,0]=3 359 B8R0.3 CCC[C@H](N)C(=O)OC 64049 [0,1,1,0,0,0|1,0,0]=3 360 B8R0.3 CCC[C@H](N)C(=O)OC D83467 [0,1,1,0,0,0|1,0,0]=3 361 B8R0.3 CCOC(=O)C(=O)CC RB3244 [0,1,1,0,0,0|2,0,0]=4 362 B8R0.3 CCOC(=O)C(=O)NC W11374 [0,1,1,0,0,0|1,0,1]=4 363 B8R0.3 COC(=O)[C@@H](Br)CCBr 61732 [0,1,1,0,0,0|2,0,0]=4 364 B8R0.3 COC(=O)[C@@H](C)CCCl D89391 [0,1,1,0,0,0|2,0,0]=4 365 B8R0.3 COC[C@H](Br)C(=O)OC A10668 [0,1,1,0,0,0|2,0,0]=4 366 B8R0.8 C=C(C)C(=O)NCCO A51143 [0,1,1,0,0,0|1,0,1]=4 367 B8R0.8 CC(C)C(=O)NCCN D86303 [0,1,1,0,0,0|1,0,0]=3 368 B8R0.8 CCCCC(=O)C(C)C D91376 [0,1,1,0,0,0|1,0,0]=3 369 B8R0.8 CCCOC(=O)[C@H](C)O D91251 [0,1,1,0,0,0|1,0,0]=3 370 B8R0.8 C[C@H](O)C(=O)NCCO D90852 [0,1,1,0,0,0|1,0,0]=3 371 B8R0.9 CC(C)CNC(=O)CCl F20035 [0,1,1,0,0,0|1,0,0]=3 372 B8R0.9 CCC(=O)NCC(C)C AC2518 [0,1,1,0,0,0|0,0,0]=2 373 B8R0.9 COC(=O)CCC(C)=O H11992 [0,1,1,0,0,0|1,0,1]=4 374 B8R0.9 COC(=O)CCN(C)C 32618 [0,1,1,0,0,0|2,0,0]=4 375 B8R0.19 CCC(=O)CC(=O)CC O11824 [0,1,1,0,0,0|1,0,1]=4 376 B8R0.19 CCC(=O)CC(=O)OC AC7866 [0,1,1,0,0,0|1,0,1]=4 377 B8R0.5 CCOC(=O)CC(N)=O 33127 [0,1,1,0,0,0|1,0,1]=4 378 B8R0.5 CCOC(=O)NC(C)=O W18296 [0,1,1,0,0,0|1,0,1]=4 379 B8R0.5 CCS[C@@H](C)CC(=O)O D80779 [0,1,1,0,0,0|2,0,0]=4 380 B8R0.21 CCCCCS(=O)(=O)[O-] F10023 [0,1,1,0,0,0|2,0,0]=4 381 B8R0.21 CCCCCS(=O)(=O)[O-] F10035 [0,1,1,0,0,0|2,0,0]=4 382 B8R0.21 CCCCOS(C)(=O)=O A10593 [0,1,1,0,0,0|2,0,0]=4 383 B8R0.28 CC(=O)CCCC(=O)O TD8115 [0,1,1,0,0,0|1,0,1]=4 384 B8R0.28 CC(=O)CCCC(C)C D81757 [0,1,1,0,0,0|1,0,0]=3 385 B8R0.28 CC(=O)CCOC(C)=O D84229 [0,1,1,0,0,0|1,0,1]=4 386 B8R0.28 CC(=O)NCCC(=O)O 50398 [0,1,1,0,0,0|1,0,1]=4 387 B8R0.28 CC(=O)OCCN(C)C D88355 [0,1,1,0,0,0|2,0,0]=4 388 B8R0.28 CC(C)COCC(=O)O D79193 [0,1,1,0,0,0|2,0,0]=4 389 B8R0.28 CN(C)CCCC(=O)O F14882 [0,1,1,0,0,0|2,0,0]=4 390 B8R0.22 CCCN(C=O)CCC D70355 [0,1,1,0,0,0|2,0,0]=4 391 B8R0.22 CCCN(CCC)N=O D91709 [0,1,1,0,0,0|2,0,0]=4 392 B8R0.30 CCCS(=O)(=O)CCC D89800 [0,1,1,0,0,0|2,0,0]=4 393 B8R1.2 BrCC1CCCCC1 81459 [0,1,0,0,1,0|1,0,1]=4 394 B8R1.2 C#CC1=CCCCC1 F14623 [0,1,0,0,1,0|1,0,1]=4 395 B8R1.2 C#CC1CCCCC1 F16297 [0,1,0,0,1,0|1,0,1]=4 396 B8R1.2 C=CC1CCCCC1 D92778 [0,1,0,0,1,0|1,0,1]=4 397 B8R1.2 CC[C@H]1CCCCN1 D90478 [0,1,0,0,1,0|1,0,1]=4 398 B8R1.2 N#CC1=CCCCC1 D89547 [0,1,0,0,1,0|1,0,1]=4 399 B8R1.2 N#CC1CCCCC1 F14026 [0,1,0,0,1,0|1,0,1]=4 400 B8R1.2 N#CC1CCCCN1 37817 [0,1,0,0,1,0|1,0,1]=4 401 B8R1.2 NCC1CCCCC1 FD10556 [0,1,0,0,1,0|1,0,1]=4 402 B8R1.2 NC[C@H]1CCCCN1 F13324 [0,1,0,0,1,0|1,0,1]=4 403 B8R1.2 NNC1CCCCC1 74084 [0,1,0,0,1,0|1,0,1]=4 404 B8R1.2 NNC1CCCCC1 BL010400 [0,1,0,0,1,0|1,0,1]=4 405 B8R1.2 O=CC1=CCCOC1 35550 [0,1,0,0,1,0|1,0,1]=4 406 B8R1.2 O=CC1=COCCC1 A12341 [0,1,0,0,1,0|1,0,1]=4 407 B8R1.2 O=CC1CCCCC1 39466 [0,1,0,0,1,0|0,0,1]=3 408 B8R1.2 O=CC1CCOCC1 61400 [0,1,0,0,1,0|1,0,1]=4 409 B8R1.2 O=CC1CCSCC1 29959 [0,1,0,0,1,0|1,0,1]=4 410 B8R1.2 O=CN1CCNCC1 77876 [0,1,0,0,1,0|2,0,0]=4 411 B8R1.2 O=CN1CCOCC1 S12160 [0,1,0,0,1,0|2,0,0]=4 412 B8R1.2 O=NN1CCCCC1 D92816 [0,1,0,0,1,0|1,0,0]=3 413 B8R1.2 OCC1CCCCC1 73723 [0,1,0,0,1,0|0,0,2]=4 414 B8R1.2 OC[C@H]1CCCCN1 23778 [0,1,0,0,1,0|0,0,2]=4 415 B8R1.2 OC[C@H]1CCCCN1 25116 [0,1,0,0,1,0|0,0,2]=4 416 B8R1.2 OC[C@H]1CCCCN1 39317 [0,1,0,0,1,0|0,0,2]=4 417 B8R1.2 OC[C@H]1CCCCN1 69389 [0,1,0,0,1,0|0,0,2]=4 418 B8R1.2 ON=C1CCOCC1 H10065 [0,1,0,0,1,0|1,0,1]=4 419 B8R1.2 ON=C1CCSCC1 F15694 [0,1,0,0,1,0|1,0,1]=4 420 B8R1.2 ONC1CCCCC1 77599 [0,1,0,0,1,0|0,0,2]=4 421 B8R1.2 ONC1CCCCC1 77600 [0,1,0,0,1,0|0,0,2]=4 422 B8R1.3 CC1=NNC(=O)CC1 20181 [0,1,0,0,1,0|1,0,1]=4 423 B8R1.3 CC1CCC(=O)CC1 P20542 [0,1,0,0,1,0|0,0,0]=2 424 B8R1.3 CN1CCC(=O)CC1 67677 [0,1,0,0,1,0|1,0,0]=3 425 B8R1.3 CN1CCC(Br)CC1 P10148 [0,1,0,0,1,0|2,0,0]=4 426 B8R1.3 CN1CCC(Cl)CC1 67721 [0,1,0,0,1,0|2,0,0]=4 427 B8R1.3 CN1CCC(Cl)CC1 A10292 [0,1,0,0,1,0|2,0,0]=4 428 B8R1.3 CN1CCC(N)CC1 67755 [0,1,0,0,1,0|2,0,0]=4 429 B8R1.3 CN1CCC(N)CC1 D82382 [0,1,0,0,1,0|2,0,0]=4 430 B8R1.3 CN1CCC(O)CC1 67617 [0,1,0,0,1,0|2,0,0]=4 431 B8R1.3 C[C@H]1CC[C@@H](N)CC1 63819 [0,1,0,0,1,0|1,0,1]=4 432 B8R1.3 C[C@H]1CC[C@H](N)CC1 47228 [0,1,0,0,1,0|1,0,1]=4 433 B8R1.3 C[C@H]1CC[C@H](N)CC1 63820 [0,1,0,0,1,0|1,0,1]=4 434 B8R1.3 NC1CCC(=O)CC1 24439 [0,1,0,0,1,0|0,0,0]=2 435 B8R1.3 NC1CCC(I)CC1 D82897 [0,1,0,0,1,0|1,0,1]=4 436 B8R1.3 NC1CCC(N)CC1 D83402 [0,1,0,0,1,0|1,0,1]=4 437 B8R1.3 NC1CCC(O)CC1 H11365 [0,1,0,0,1,0|0,0,2]=4 438 B8R1.3 NN1CCC(O)CC1 I11452 [0,1,0,0,1,0|2,0,0]=4 439 B8R1.3 N[C@H]1CCC(=O)NC1 P10247 [0,1,0,0,1,0|0,0,0]=2 440 B8R1.3 N[C@H]1CC[C@@H](N)CC1 D89460 [0,1,0,0,1,0|1,0,1]=4 441 B8R1.3 N[C@H]1CC[C@@H](O)CC1 51986 [0,1,0,0,1,0|0,0,2]=4 442 B8R1.3 N[C@H]1CC[C@@H](O)CC1 F14021 [0,1,0,0,1,0|0,0,2]=4 443 B8R1.3 N[C@H]1CC[C@H](N)CC1 I11239 [0,1,0,0,1,0|1,0,1]=4 444 B8R1.3 N[C@H]1CC[C@H](O)CC1 O12153 [0,1,0,0,1,0|0,0,2]=4 445 B8R1.3 N[C@H]1CC[C@H](O)CC1 P16830 [0,1,0,0,1,0|0,0,2]=4 446 B8R1.3 O=C1CCC(=O)CC1 F11265 [0,1,0,0,1,0|0,0,1]=3 447 B8R1.3 O=C1CCC(O)CC1 24546 [0,1,0,0,1,0|0,0,0]=2 448 B8R1.3 O=C1CC[C@H](O)CN1 62216 [0,1,0,0,1,0|0,0,0]=2 449 B8R1.3 O=C1CC[C@H](O)CN1 62217 [0,1,0,0,1,0|0,0,0]=2 450 B8R1.3 O=C1CNC(=O)CN1 F11382 [0,1,0,0,1,0|1,0,1]=4 451 B8R1.3 OC1CCC(O)CC1 TD8009 [0,1,0,0,1,0|0,0,2]=4 452 B8R1.3 O[C@H]1CC[C@@H](O)CC1 P10063 [0,1,0,0,1,0|0,0,2]=4 453 B8R1.3 O[C@H]1CC[C@H](O)CC1 74160 [0,1,0,0,1,0|0,0,2]=4 454 B8R1.4 CC1=CC(=O)CCC1 S10448 [0,1,0,0,1,0|0,0,2]=4 455 B8R1.4 CC1CCCC(C)N1 F10355 [0,1,0,0,1,0|1,0,1]=4 456 B8R1.4 CC1CCCC(N)C1 33432 [0,1,0,0,1,0|1,0,1]=4 457 B8R1.4 CN1CCCC(=O)C1 25967 [0,1,0,0,1,0|1,0,0]=3 458 B8R1.4 CN1CCC[C@H](Br)C1 AC1745 [0,1,0,0,1,0|2,0,0]=4 459 B8R1.4 CN1CCC[C@H](N)C1 37172 [0,1,0,0,1,0|2,0,0]=4 460 B8R1.4 CN1CCC[C@H](N)C1 37173 [0,1,0,0,1,0|2,0,0]=4 461 B8R1.4 CN1CCC[C@H](O)C1 37176 [0,1,0,0,1,0|2,0,0]=4 462 B8R1.4 CN1CCC[C@H](O)C1 37177 [0,1,0,0,1,0|2,0,0]=4 463 B8R1.4 CN1CCC[C@H](O)C1 37178 [0,1,0,0,1,0|2,0,0]=4 464 B8R1.4 CN1CCNC(=O)C1 23552 [0,1,0,0,1,0|1,0,0]=3 465 B8R1.4 CN1CCOC(=O)C1 70849 [0,1,0,0,1,0|2,0,0]=4 466 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [0,1,0,0,1,0|1,0,0]=3 467 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [0,1,0,0,1,0|0,0,0]=2 468 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [0,1,0,0,1,0|0,0,0]=2 469 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [0,1,0,0,1,0|1,0,0]=3 470 B8R1.4 C[C@H]1COCC(=O)N1 88852 [0,1,0,0,1,0|1,0,0]=3 471 B8R1.4 C[C@H]1COCC(=O)N1 88853 [0,1,0,0,1,0|1,0,0]=3 472 B8R1.4 NC1=CC(=O)CCC1 30084 [0,1,0,0,1,0|0,0,2]=4 473 B8R1.4 NC1CCCC(N)C1 F14870 [0,1,0,0,1,0|1,0,1]=4 474 B8R1.4 NC1CCCC(O)C1 20373 [0,1,0,0,1,0|0,0,2]=4 475 B8R1.4 NC1CCCC(O)C1 51096 [0,1,0,0,1,0|0,0,2]=4 476 B8R1.4 N[C@H]1CCC[C@@H](N)C1 T70691 [0,1,0,0,1,0|1,0,1]=4 477 B8R1.4 N[C@H]1CCNC(=O)C1 28187 [0,1,0,0,1,0|0,0,0]=2 478 B8R1.4 N[C@H]1CCNC(=O)C1 62308 [0,1,0,0,1,0|0,0,0]=2 479 B8R1.4 O=C1C=C(O)CCC1 D81514 [0,1,0,0,1,0|0,0,2]=4 480 B8R1.4 O=C1CCCC(=O)C1 70018 [0,1,0,0,1,0|0,0,1]=3 481 B8R1.4 O=C1CCCC(=O)N1 F11946 [0,1,0,0,1,0|0,0,1]=3 482 B8R1.4 O=C1CCNC(=O)C1 65248 [0,1,0,0,1,0|0,0,1]=3 483 B8R1.4 O=C1CCNC(=O)N1 F11823 [0,1,0,0,1,0|1,0,1]=4 484 B8R1.4 O=C1CNCC(=O)N1 25699 [0,1,0,0,1,0|1,0,1]=4 485 B8R1.4 O=C1CSCC(=O)C1 P10366 [0,1,0,0,1,0|1,0,1]=4 486 B8R1.4 O=C1C[C@@H](O)CCN1 68726 [0,1,0,0,1,0|0,0,0]=2 487 B8R1.4 OC1CCCC(O)C1 F17088 [0,1,0,0,1,0|0,0,2]=4 488 B8R1.5 BrC1CCCCC1Br 23806 [0,1,0,0,1,0|1,0,1]=4 489 B8R1.5 Br[C@H]1CCCC[C@@H]1Br D90058 [0,1,0,0,1,0|1,0,1]=4 490 B8R1.5 CC1=NCCCN1C 67669 [0,1,0,0,1,0|2,0,0]=4 491 B8R1.5 CN1CCCNC1=O F13277 [0,1,0,0,1,0|1,0,0]=3 492 B8R1.5 CN1CCNCC1=O 26900 [0,1,0,0,1,0|1,0,0]=3 493 B8R1.5 CN1CCNCC1=O 37505 [0,1,0,0,1,0|1,0,0]=3 494 B8R1.5 C[C@@H]1NCCNC1=O 20377 [0,1,0,0,1,0|1,0,0]=3 495 B8R1.5 C[C@@H]1NCCNC1=O 20378 [0,1,0,0,1,0|1,0,0]=3 496 B8R1.5 C[C@@H]1NCCNC1=O F31149 [0,1,0,0,1,0|1,0,0]=3 497 B8R1.5 C[C@H]1CCCC[C@@H]1N S11914 [0,1,0,0,1,0|1,0,1]=4 498 B8R1.5 C[C@H]1CCCC[C@H]1C D89702 [0,1,0,0,1,0|1,0,1]=4 499 B8R1.5 C[C@H]1CCCNC1=O P10093 [0,1,0,0,1,0|0,0,0]=2 500 B8R1.5 C[C@H]1CNCCC1=O 63757 [0,1,0,0,1,0|1,0,0]=3 501 B8R1.5 C[C@H]1CNCCC1=O 67436 [0,1,0,0,1,0|1,0,0]=3 502 B8R1.5 FC1CCCCC1Br T71186 [0,1,0,0,1,0|1,0,1]=4 503 B8R1.5 NC1CCCCC1O AB10042 [0,1,0,0,1,0|0,0,2]=4 504 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67886 [0,1,0,0,1,0|0,0,2]=4 505 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67887 [0,1,0,0,1,0|0,0,2]=4 506 B8R1.5 N[C@@H]1CCCC[C@@H]1O A51241 [0,1,0,0,1,0|0,0,2]=4 507 B8R1.5 N[C@H]1CCCC[C@@H]1N 28367 [0,1,0,0,1,0|1,0,1]=4 508 B8R1.5 N[C@H]1CCCC[C@@H]1N 28369 [0,1,0,0,1,0|1,0,1]=4 509 B8R1.5 N[C@H]1CCCC[C@@H]1N F16348 [0,1,0,0,1,0|1,0,1]=4 510 B8R1.5 N[C@H]1CCCC[C@@H]1O 22869 [0,1,0,0,1,0|0,0,2]=4 511 B8R1.5 N[C@H]1CCCC[C@@H]1O 28325 [0,1,0,0,1,0|0,0,2]=4 512 B8R1.5 N[C@H]1CCCC[C@@H]1O 67740 [0,1,0,0,1,0|0,0,2]=4 513 B8R1.5 N[C@H]1CCCC[C@@H]1O 67741 [0,1,0,0,1,0|0,0,2]=4 514 B8R1.5 N[C@H]1CCCC[C@@H]1O 74387 [0,1,0,0,1,0|0,0,2]=4 515 B8R1.5 N[C@H]1CCCC[C@@H]1O H10809 [0,1,0,0,1,0|0,0,2]=4 516 B8R1.5 N[C@H]1CCCC[C@H]1N 11201 [0,1,0,0,1,0|1,0,1]=4 517 B8R1.5 N[C@H]1CCCNC1=O 23329 [0,1,0,0,1,0|0,0,0]=2 518 B8R1.5 N[C@H]1CCCNC1=O 27952 [0,1,0,0,1,0|0,0,0]=2 519 B8R1.5 N[C@H]1CCCNC1=O 51547 [0,1,0,0,1,0|0,0,0]=2 520 B8R1.5 O=C1CCCCC1=O 57324 [0,1,0,0,1,0|0,0,1]=3 521 B8R1.5 O=C1CCCC[C@@H]1Br 67635 [0,1,0,0,1,0|0,0,0]=2 522 B8R1.5 O=C1CCCC[C@@H]1Cl AC1582 [0,1,0,0,1,0|0,0,0]=2 523 B8R1.5 O=C1CCCC[C@@H]1F W17462 [0,1,0,0,1,0|0,0,0]=2 524 B8R1.5 O=C1CCNC[C@@H]1F 30735 [0,1,0,0,1,0|1,0,0]=3 525 B8R1.5 O=C1CCOC[C@@H]1F SC3231 [0,1,0,0,1,0|1,0,0]=3 526 B8R1.5 OC1CCCCC1Cl D71128 [0,1,0,0,1,0|0,0,2]=4 527 B8R1.5 OC1CCCCC1O FD9018 [0,1,0,0,1,0|0,0,2]=4 528 B8R1.5 O[C@H]1CCCC[C@@H]1F T72787 [0,1,0,0,1,0|0,0,2]=4 529 B8R1.5 O[C@H]1CCCC[C@@H]1O O12154 [0,1,0,0,1,0|0,0,2]=4 530 B8R1.72 CC1(N)CCCCC1 71329 [0,1,0,0,1,0|1,0,1]=4 531 B8R1.72 CC1(O)CCCCC1 FD14069 [0,1,0,0,1,0|0,0,2]=4 532 B8R1.72 C[N+]1(C)CCCCC1 A51057 [0,1,0,0,1,0|2,0,0]=4 533 B8R1.72 Cl[Si]1(Cl)CCCCC1 C11274 [0,1,0,0,1,0|1,1,0]=4 534 B8R1.72 O=S1(=O)CCCCN1 71476 [0,1,0,0,1,0|1,0,0]=3 535 B8R1.72 O=S1(=O)CCCCO1 36714 [0,1,0,0,1,0|2,0,0]=4 536 B8R1.72 O=S1(=O)CCNCC1 66586 [0,1,0,0,1,0|2,0,0]=4 537 B8R1.72 O=S1(=O)CCNCC1 P10326 [0,1,0,0,1,0|2,0,0]=4 538 B8R1.72 O=S1(=O)CCOCC1 D70978 [0,1,0,0,1,0|2,0,0]=4 539 B10R1.275 CN1CCCC[C@H](N)C1=O 11067 [0,2,0,0,0,0|0,0,0]=2 540 B10R1.348 O=C(O)C1CCCCCC1 O11712 [0,2,0,0,0,0|1,0,1]=4 541 B8R1.8 CNC[C@H]1CCCN1 P18037 [0,0,1,1,0,0|2,0,0]=4 542 B8R1.8 COC[C@H]1CCCN1 11150 [0,0,1,1,0,0|2,0,0]=4 543 B8R1.8 NCCC1CCCC1 23538 [0,0,1,1,0,0|1,0,1]=4 544 B8R1.11 CCN1CCCC1=O A10865 [0,0,1,1,0,0|2,0,0]=4 545 B8R1.11 CC[C@H]1CCCC1=O D83898 [0,0,1,1,0,0|1,0,0]=3 546 B8R1.11 CN1CCC[C@@H]1CN C74098 [0,0,1,1,0,0|2,0,0]=4 547 B8R1.11 CN1CCC[C@@H]1CN D82178 [0,0,1,1,0,0|2,0,0]=4 548 B8R1.11 N#C[C@H]1CCCC1=O BL000625 [0,0,1,1,0,0|0,0,2]=4 549 B8R1.11 O=CN1CCCC1=O D93023 [0,0,1,1,0,0|1,0,1]=4 550 B8R1.49 C1=CCCCCCC1 D89499 [0,0,1,1,0,0|2,0,0]=4 551 B8R1.1 CC[C@H]1CCC(=O)O1 AC2069 [0,0,1,1,0,0|1,0,0]=3 552 B8R1.1 NC[C@H]1CCC(=O)N1 29046 [0,0,1,1,0,0|1,0,0]=3 553 B8R1.1 O=C1CC[C@H](CBr)N1 54799 [0,0,1,1,0,0|1,0,0]=3 554 B8R1.1 O=C1CC[C@H](CBr)N1 FD1199 [0,0,1,1,0,0|1,0,0]=3 555 B8R1.1 O=C1CC[C@H](CO)N1 65450 [0,0,1,1,0,0|1,0,0]=3 556 B8R1.1 O=C1CC[C@H](CO)N1 65451 [0,0,1,1,0,0|1,0,0]=3 557 B8R1.1 O=C1CC[C@H](CO)N1 78078 [0,0,1,1,0,0|1,0,0]=3 558 B8R1.1 O=C1CC[C@H](CO)O1 60100 [0,0,1,1,0,0|2,0,0]=4 559 B8R1.1 O=C1CC[C@H](CO)O1 60102 [0,0,1,1,0,0|2,0,0]=4 560 B8R1.1 O=C1NC[C@H](CCl)O1 74052 [0,0,1,1,0,0|2,0,0]=4 561 B8R1.1 O=C1NC[C@H](CCl)O1 D78281 [0,0,1,1,0,0|2,0,0]=4 562 B8R1.1 O=C1NC[C@H](CO)O1 30493 [0,0,1,1,0,0|2,0,0]=4 563 B8R1.38 COC(=O)C1CCC1 TD1247 [0,0,1,1,0,0|1,0,0]=3 564 B8R1.38 COC(=O)C1CNC1 27444 [0,0,1,1,0,0|2,0,0]=4 565 B8R1.38 COC(=O)[C@@H]1CCN1 63809 [0,0,1,1,0,0|2,0,0]=4 566 B8R1.38 COC(=O)[C@@H]1CCN1 66102 [0,0,1,1,0,0|2,0,0]=4 567 B8R1.38 NNC(=O)C1CCC1 P10255 [0,0,1,1,0,0|1,0,0]=3 568 B8R1.38 O=C(CBr)C1CCC1 P18349 [0,0,1,1,0,0|2,0,0]=4 569 B8R1.38 O=C(CCl)N1CCC1 71566 [0,0,1,1,0,0|1,0,0]=3 570 B8R1.40 NCC(=O)NC1CC1 AB1061 [0,0,1,1,0,0|1,0,0]=3 571 B8R1.40 O=C(CCl)NC1CC1 F19977 [0,0,1,1,0,0|1,0,0]=3 572 B8R1.50 CN1C(=O)CC[C@@H]1O 33572 [0,0,1,1,0,0|1,0,0]=3 573 B8R1.50 C[C@H]1CCC(=O)N1C D86499 [0,0,1,1,0,0|0,0,0]=2 574 B8R1.7 CC(=O)C1CCCC1 83754 [0,0,1,1,0,0|1,0,0]=3 575 B8R1.7 CC(=O)N1CCCC1 A12496 [0,0,1,1,0,0|0,0,0]=2 576 B8R1.7 C[C@H](N)C1CCCC1 83753 [0,0,1,1,0,0|1,0,1]=4 577 B8R1.7 NC(=O)C1CC=CC1 O11713 [0,0,1,1,0,0|0,0,2]=4 578 B8R1.7 NC(=O)C1CCCC1 20928 [0,0,1,1,0,0|0,0,0]=2 579 B8R1.7 NC(=O)[C@@H]1CCCN1 59577 [0,0,1,1,0,0|1,0,0]=3 580 B8R1.7 NC(=O)[C@@H]1CCCN1 59579 [0,0,1,1,0,0|1,0,0]=3 581 B8R1.7 NC(=O)[C@@H]1CCCN1 59581 [0,0,1,1,0,0|1,0,0]=3 582 B8R1.7 NC(=O)[C@@H]1CCCN1 AC8100 [0,0,1,1,0,0|1,0,0]=3 583 B8R1.7 NC(=O)[C@@H]1CCCN1 F10562 [0,0,1,1,0,0|1,0,0]=3 584 B8R1.7 NC(=O)[C@@H]1CCCN1 P10052 [0,0,1,1,0,0|1,0,0]=3 585 B8R1.7 NC(=O)[C@@H]1CCCO1 30997 [0,0,1,1,0,0|1,0,0]=3 586 B8R1.7 NC(=O)[C@H]1CCNC1 37189 [0,0,1,1,0,0|1,0,0]=3 587 B8R1.7 NC(=O)[C@H]1CCNC1 83250 [0,0,1,1,0,0|1,0,0]=3 588 B8R1.7 O=C(Cl)C1CCCC1 D89509 [0,0,1,1,0,0|1,0,0]=3 589 B8R1.7 O=C(O)C1CCCC1 34069 [0,0,1,1,0,0|1,0,0]=3 590 B8R1.7 O=C(O)[C@@H]1CCCN1 30759 [0,0,1,1,0,0|2,0,0]=4 591 B8R1.7 O=C(O)[C@@H]1CCCN1 69586 [0,0,1,1,0,0|2,0,0]=4 592 B8R1.7 O=C(O)[C@@H]1CCCN1 P17692 [0,0,1,1,0,0|2,0,0]=4 593 B8R1.7 O=C(O)[C@@H]1CCCO1 30805 [0,0,1,1,0,0|2,0,0]=4 594 B8R1.7 O=C(O)[C@@H]1CCCO1 66521 [0,0,1,1,0,0|2,0,0]=4 595 B8R1.7 O=C(O)[C@@H]1CCCO1 74188 [0,0,1,1,0,0|2,0,0]=4 596 B8R1.7 O=C(O)[C@@H]1CCCS1 72166 [0,0,1,1,0,0|2,0,0]=4 597 B8R1.7 O=C(O)[C@H]1CCNC1 27256 [0,0,1,1,0,0|2,0,0]=4 598 B8R1.7 O=C(O)[C@H]1CCNC1 65300 [0,0,1,1,0,0|2,0,0]=4 599 B8R1.7 O=C(O)[C@H]1CCNC1 65301 [0,0,1,1,0,0|2,0,0]=4 600 B8R1.7 O=C(O)[C@H]1CCNC1 65434 [0,0,1,1,0,0|2,0,0]=4 601 B8R1.7 O=C(O)[C@H]1CCOC1 66518 [0,0,1,1,0,0|2,0,0]=4 602 B8R1.7 S=C(S)N1CCCC1 AC2534 [0,0,1,1,0,0|1,1,0]=4 603 B8R1.34 CC(=O)NC1CNC1 38121 [0,0,1,1,0,0|1,0,0]=3 604 B8R1.34 O=C(O)CC1CCC1 AB3606 [0,0,1,1,0,0|1,0,0]=3 605 B8R1.35 CC(C)NCC1CC1 D86468 [0,0,1,1,0,0|1,0,1]=4 606 B8R1.35 O=C(O)CCC1CC1 68386 [0,0,1,1,0,0|1,0,0]=3 607 B8R1.18 C[C@H]1CC(=O)NC1=O 64374 [0,0,1,1,0,0|1,0,1]=4 608 B8R1.37 CCOC(=N)C1CC1 AC2329 [0,0,1,1,0,0|2,0,0]=4 609 B8R1.37 CCOC(=O)C1CC1 FD10459 [0,0,1,1,0,0|1,0,0]=3 610 B8R1.37 CCOC(=O)[C@@H]1CO1 F30214 [0,0,1,1,0,0|2,0,0]=4 611 B8R2.18 NC1CC2CC2C1 38235 [0,0,0,1,1,0|1,0,1]=4 612 B8R2.18 OC1CC2CC2C1 80097 [0,0,0,1,1,0|0,0,2]=4 613 B8R2.18 OC1C[C@@H]2C[C@@H]2C1 68368 [0,0,0,1,1,0|0,0,2]=4 614 B8R2.34 C1CC2CCC1N2 25913 [0,0,0,1,1,0|1,0,1]=4 615 B8R2.38 OC1CCC2CC12 P20622 [0,0,0,1,1,0|0,0,2]=4 616 B10R2.2 O=C1CC2CNCC2C1 P12510 [0,0,0,1,0,1|1,0,0]=3 617 B10R2.71 O=C1CC2CCC(C1)N2 34768 [0,1,0,1,0,0|1,0,0]=3 618 B10R2.71 O=C1CC2CCC(C1)O2 37775 [0,1,0,1,0,0|1,0,0]=3 619 B10R2.179 CC12CCCC(=O)C1O2 63324 [0,1,0,1,0,0|2,0,0]=4 620 B6R1.1 C1=CCNCC1 37471 [1,0,0,0,1,0|0,0,2]=4 621 B6R1.1 C1=CCNCC1 AB7774 [1,0,0,0,1,0|0,0,2]=4 622 B6R1.1 C1=CCOCC1 37905 [1,0,0,0,1,0|1,0,1]=4 623 B6R1.1 C1=COCCC1 D78128 [1,0,0,0,1,0|1,0,1]=4 624 B6R1.1 C1CCNCC1 D77674 [1,0,0,0,1,0|0,0,0]=2 625 B6R1.1 C1CCNNC1 AB2862 [1,0,0,0,1,0|1,0,0]=3 626 B6R1.1 C1CCONC1 72394 [1,0,0,0,1,0|1,0,0]=3 627 B6R1.1 C1CCSCC1 D78391 [1,0,0,0,1,0|1,0,0]=3 628 B6R1.1 C1CNCCN1 D97840 [1,0,0,0,1,0|1,0,0]=3 629 B6R1.1 C1COCCN1 D70343 [1,0,0,0,1,0|1,0,0]=3 630 B6R1.1 C1COCCN1 D95446 [1,0,0,0,1,0|1,0,0]=3 631 B6R1.1 C1COCCN1 F14226 [1,0,0,0,1,0|1,0,0]=3 632 B6R1.1 C1CSCCN1 P10015 [1,0,0,0,1,0|1,0,0]=3 633 B6R1.1 C1CSCCO1 D87969 [1,0,0,0,1,0|2,0,0]=4 634 B6R1.1 C1CSCSC1 S10678 [1,0,0,0,1,0|2,0,0]=4 635 B6R1.2 CC1=NCCC1 35340 [0,0,0,0,2,0|1,0,1]=4 636 B6R1.2 CC1=NCCN1 S11926 [0,0,0,0,2,0|2,0,0]=4 637 B6R1.2 CN1CCCC1 D78045 [0,0,0,0,2,0|2,0,0]=4 638 B6R1.2 C[C@H]1CCCN1 11755 [0,0,0,0,2,0|1,0,1]=4 639 B6R1.2 C[C@H]1CCCN1 23331 [0,0,0,0,2,0|1,0,1]=4 640 B6R1.2 C[C@H]1CCCN1 64834 [0,0,0,0,2,0|1,0,1]=4 641 B6R1.2 C[C@H]1CCCN1 64835 [0,0,0,0,2,0|1,0,1]=4 642 B6R1.2 C[C@H]1CCCN1 64836 [0,0,0,0,2,0|1,0,1]=4 643 B6R1.2 C[S+]1CCCC1 AC8164 [0,0,0,0,2,0|2,0,0]=4 644 B6R1.2 IC1CCCC1 P10039 [0,0,0,0,2,0|1,0,1]=4 645 B6R1.2 N=C1CCCS1 H10471 [0,0,0,0,2,0|2,0,0]=4 646 B6R1.2 NC1=NCCC1 23751 [0,0,0,0,2,0|1,0,1]=4 647 B6R1.2 NC1CCCC1 22312 [0,0,0,0,2,0|1,0,1]=4 648 B6R1.2 O=C1C=CCC1 23169 [0,0,0,0,2,0|0,0,2]=4 649 B6R1.2 O=C1CC=CC1 68366 [0,0,0,0,2,0|0,0,2]=4 650 B6R1.2 O=C1CC=NN1 26372 [0,0,0,0,2,0|1,0,1]=4 651 B6R1.2 O=C1CCCN1 D95709 [0,0,0,0,2,0|0,0,0]=2 652 B6R1.2 O=C1CCCN1 D96808 [0,0,0,0,2,0|0,0,0]=2 653 B6R1.2 O=C1CCNC1 65410 [0,0,0,0,2,0|1,0,0]=3 654 B6R1.2 O=C1CCNN1 F15485 [0,0,0,0,2,0|1,0,0]=3 655 B6R1.2 O=C1CCOC1 28102 [0,0,0,0,2,0|1,0,0]=3 656 B6R1.2 O=C1CCSC1 37995 [0,0,0,0,2,0|1,0,0]=3 657 B6R1.2 O=C1NCCN1 D71145 [0,0,0,0,2,0|1,0,0]=3 658 B6R1.2 O=C1NCCO1 C93484 [0,0,0,0,2,0|1,0,0]=3 659 B6R1.2 O=C1NCCS1 35133 [0,0,0,0,2,0|1,0,0]=3 660 B6R1.2 O=C1OCCO1 D72525 [0,0,0,0,2,0|2,0,0]=4 661 B6R1.2 O=S1CCCC1 D92307 [0,0,0,0,2,0|1,0,0]=3 662 B6R1.2 S=C1CCCN1 D95546 [0,0,0,0,2,0|0,1,0]=3 663 B6R1.2 S=C1NCCN1 A10690 [0,0,0,0,2,0|1,1,0]=4 664 B6R1.2 S=C1NCCO1 79469 [0,0,0,0,2,0|1,1,0]=4 665 B6R1.2 SC1CCCC1 D89300 [0,0,0,0,2,0|0,1,1]=4