0 B16R0.61 CCCCCCCCCCCCS(=O)CCO S540129 [0,0,1,0,0,0|2,0,0]=3 1 B16R0.61 CCCCCCCCCCSCC(=O)OCC R395412 [0,0,1,0,0,0|2,0,0]=3 2 B16R0.61 CCOC(=O)CCCCCCCCCCOC S382426 [0,0,1,0,0,0|2,0,0]=3 3 B16R0.274 CCCCCCCC/C=C/CCCOC(=O)C CDS011407 [0,0,1,0,0,0|1,0,2]=4 4 B16R0.274 CCCCCCCCCCCC=NNC(=O)C S903272 [0,0,1,0,0,0|2,0,1]=4 5 B16R0.274 CCCCCCCCCCCCCCB(O)O S831565 [0,0,1,0,0,0|2,0,1]=4 6 B16R0.274 CCCCCCCCCCCCCCC(=N)N PH012197 [0,0,1,0,0,0|2,0,0]=3 7 B16R0.274 CCCCCCCCCCCCOCC(=O)O S233773 [0,0,1,0,0,0|2,0,0]=3 8 B16R0.274 CCCCCCCCCCCCSCC(=O)O S233471 [0,0,1,0,0,0|2,0,0]=3 9 B16R0.302 CCCCCCCCCCCC(=O)OC(C)C CDS005471 [0,0,1,0,0,0|1,0,0]=2 10 B16R0.302 CCCCCCCCCCNC(=O)OC(C)C R425311 [0,0,1,0,0,0|2,0,0]=3 11 B18R2.131816 CC1CC(=O)C2=C1CCCCCCCCCC2 T202576 [0,0,0,1,0,0|0,0,2]=3 12 B18R2.131816 CC1CC(=O)C2=CCCCCCCCCCC12 T202827 [0,0,0,1,0,0|0,0,2]=3 13 B16R1.402 O=C1CCCCCCCCCCC=CC1Br T231843 [0,0,0,0,1,0|1,0,2]=4 14 B15R0.70 C=CCOCCCCCCCCCCCC PH008626 [1,0,1,0,0,0|1,0,1]=4 15 B15R0.70 CCCCCCCCCCCCCC[Hg]Br S835137 [1,0,1,0,0,0|2,0,0]=4 16 B15R0.70 CCCCCCCCCCCCCC[Hg]Cl S572527 [1,0,1,0,0,0|2,0,0]=4 17 B15R0.81 CCCCCCCCCCCNC(=O)CCl S382140 [1,0,1,0,0,0|2,0,0]=4 18 B15R0.366 CCCCCCCCCCCC(=O)CCN S236551 [1,0,1,0,0,0|1,0,0]=3 19 B15R0.366 CCOC(=O)CCCCCCCCCCBr S557498 [1,0,1,0,0,0|2,0,0]=4 20 B15R0.3221 CCCCCCCCCC(C)NC(=O)CCl S381837 [1,0,1,0,0,0|2,0,0]=4 21 B15R0.149 CCCCCCCCC(=O)CCCCCC S543780 [1,0,1,0,0,0|0,0,0]=2 22 B15R0.164 CCCCCCCCCCC/C=C/C(=O)C PH008562 [1,0,1,0,0,0|0,0,2]=4 23 B15R0.164 CCCCCCCCCCCCOC(=O)N PH007036 [1,0,1,0,0,0|2,0,0]=4 24 B15R0.164 CCCCCCCCCCCNCC(C)O L305669 [1,0,1,0,0,0|2,0,0]=4 25 B15R0.164 CCCCCCCCCCSCCC(=O)O R397288 [1,0,1,0,0,0|2,0,0]=4 26 B15R0.133 CCCCCCCC(=O)CCCCCCC S828408 [1,0,1,0,0,0|0,0,0]=2 27 B15R0.133 CCCCCCCC(N)CCCCCCC S540234 [1,0,1,0,0,0|1,0,1]=4 28 B15R0.133 CCCCCCCP(=O)CCCCCCC R465763 [1,0,1,0,0,0|1,0,0]=3 29 B17R0.250 CCCCCCCCCCCCCC(=O)CCC S543926 [0,1,1,0,0,0|0,0,0]=2 30 B17R0.250 CCCCCCCCCCCCCC(=O)NCC R425567 [0,1,1,0,0,0|1,0,0]=3 31 B17R0.250 CCCCCCCCCCCCNC(=O)CCC R343277 [0,1,1,0,0,0|0,0,0]=2 32 B17R0.250 CCCCCCCCCCCCOC(=O)CCS S600423 [0,1,1,0,0,0|1,0,0]=3 33 B17R0.43 CCCCCCCCCCCCC/C=C/C(=O)O CDS000103 [0,1,1,0,0,0|1,0,1]=4 34 B17R0.43 CCCCCCCCCCCCCCCC(=O)C S762911 [0,1,1,0,0,0|0,0,0]=2 35 B17R0.43 CCCCCCCCCCCCCCCC(=O)O S833266 [0,1,1,0,0,0|1,0,0]=3 36 B17R0.43 CCCCCCCCCCCCCCNC(=O)N S811866 [0,1,1,0,0,0|1,0,0]=3 37 B17R0.43 CCCCCCCCCCCCSCCC(=O)N S28291 [0,1,1,0,0,0|1,0,0]=3 38 B17R0.43 CCCCCCCCCCCCSCCC(=O)N S43193 [0,1,1,0,0,0|1,0,0]=3 39 B17R0.43 CCCCCCCCCCCCSCCC(=O)O S537306 [0,1,1,0,0,0|1,0,0]=3 40 B17R0.43 CCCCCCCCSCCCCCCC(=O)O R395536 [0,1,1,0,0,0|1,0,0]=3 41 B17R0.43 CCCCSCCCCCCCCCCC(=O)O S537659 [0,1,1,0,0,0|1,0,0]=3 42 B17R0.195 C=CC(=O)OCCCCCCCCCCCCC CDS010544 [0,1,1,0,0,0|1,0,1]=4 43 B17R0.195 CCCCCCCCCCCCCCC(N)CO R737488 [0,1,1,0,0,0|1,0,1]=4 44 B17R0.195 CCCCCCCCCCCCCNC(=O)CCl S383457 [0,1,1,0,0,0|1,0,0]=3 45 B17R0.14363 CCC(=O)CCCCCCCCCCCC(=O)O S875120 [0,1,1,0,0,0|1,0,1]=4 46 B17R1.444 O=C1CCCCCCCCCCCCCC1O S566039 [1,1,0,0,0,0|0,0,0]=2 47 B17R1.1425 CCCCCCCCCCCCN1CCCC1 R787868 [0,0,1,1,0,0|2,0,0]=4 48 B17R1.1425 CCCCCCCCCCCCN1CCCC1 S236276 [0,0,1,1,0,0|2,0,0]=4 49 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 CDS000484 [0,0,1,1,0,0|0,0,2]=4 50 B17R1.23822 COC(=O)C1CCCCCCCCCCC1O T288837 [0,0,1,1,0,0|2,0,0]=4 51 B17R1.1292 CCCCCCCNC(=O)NC1CCCCC1 R714615 [0,0,1,1,0,0|2,0,0]=4 52 B17R1.1889 CCCCCC(C)NC(=O)NC1CCCCC1 R714518 [0,0,1,1,0,0|2,0,0]=4 53 B17R2.38932 O=C1C=C2CCCCCCCCCC(C1)C2 T276448 [0,0,0,1,1,0|0,0,2]=4 54 B17R2.38932 [C@@H]12CCCCCCCCC[C@H](C1)CC(=O)C2 T296716 [0,0,0,1,1,0|0,0,0]=2 55 B17R2.38932 [C@H]12CCCCCCCCC[C@H](C1)CC(=C)C2 T244988 [0,0,0,1,1,0|1,0,0]=3 56 B17R2.38932 [C@H]12CCCCCCCCC[C@H](C1)CC(=O)C2 T292419 [0,0,0,1,1,0|0,0,0]=2 57 B17R2.38932 [C@H]12CCCCCCCCC[C@H](C1)CC(C2)O T293156 [0,0,0,1,1,0|0,0,2]=4 58 B19R2.3189175 CC1(CC(=O)C2=CCCCCCCCCCC12)C T203041 [0,1,0,1,0,0|0,0,2]=4 59 B15R0.84 CCCCCCCCCCCC(=O)N(C)C S346985 [0,0,1,0,1,0|1,0,0]=3 60 B15R0.324 CCCCCCCCCCC(Br)C(=O)OC S985864 [0,0,1,0,1,0|2,0,0]=4