0 B11R0.3 C=CCCC/C=C/CCCCO S303453 [0,0,0,0,0,0|0,0,4]=4 1 B11R0.3 CCCCCCCCCCC#N R750212 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.3 CCCCCCCCCCSC S540161 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.3 CCCCCCCCCC[Hg]Cl S572586 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.3 COCCCCCCCCOC S344400 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.71 C#CCCCCCCCCC CDS001229 [1,0,0,0,0,0|0,0,3]=4 6 B10R0.71 C=CCC/C=C\CCCCO S310573 [1,0,0,0,0,0|0,0,3]=4 7 B10R0.71 CCCCCCCCCCF S570354 [1,0,0,0,0,0|1,0,2]=4 8 B10R0.71 COCCCCCCCCN PH012543 [1,0,0,0,0,0|2,0,1]=4 9 B10R0.71 ICCCCCCCCCI S764507 [1,0,0,0,0,0|2,0,1]=4 10 B12R0.5 C(=O)OCCCCCCCOC=O T177385 [0,1,0,0,0,0|2,0,0]=3 11 B12R0.234 C=CCCCCCCCCC(=O)[O-] CDS003850 [0,1,0,0,0,0|0,0,0]=1 12 B12R0.234 CC(=O)NCCCCCCCCN S233641 [0,1,0,0,0,0|2,0,1]=4 13 B12R0.234 CCCCCCCCCCC(=N)N PH012196 [0,1,0,0,0,0|1,0,2]=4 14 B12R0.234 CCCCCCCCCOC(=O)C S364258 [0,1,0,0,0,0|1,0,2]=4 15 B12R0.234 CCCCCCCCNCC(=O)N PH010602 [0,1,0,0,0,0|1,0,2]=4 16 B12R0.234 CCCCCCCCOCC(=O)O PH010016 [0,1,0,0,0,0|1,0,2]=4 17 B12R0.234 N#CCCCCCCCCC(=O)O S367591 [0,1,0,0,0,0|1,0,1]=3 18 B12R1.8 C(=O)OCCCC1CCCCO1 T177490 [0,0,0,1,0,0|2,0,1]=4 19 B12R1.37 C(=O)OCCCCC1CCCO1 T177369 [0,0,0,1,0,0|2,0,1]=4 20 B12R1.150 O=C1CCCCCCCCC1=O T209074 [0,0,0,1,0,0|1,0,0]=2 21 B12R1.150 O=C1CCCCCCCCC1O S116742 [0,0,0,1,0,0|1,0,1]=3 22 B9R0.45 CCCCCCCCNC CDS003222 [2,0,0,0,0,0|1,0,1]=4 23 B9R0.45 CCCCCCCCON PH014161 [2,0,0,0,0,0|2,0,0]=4 24 B9R0.45 CCCCCCCC[Hg]Cl S572551 [2,0,0,0,0,0|2,0,0]=4 25 B9R0.45 N#CCCCCCCC=O PH008272 [2,0,0,0,0,0|1,0,1]=4 26 B11R0.40 C=CS(=O)CCCCCCCC R395390 [1,1,0,0,0,0|1,0,1]=4 27 B11R0.148 C(=O)CCCCCCOC(=O)C T168823 [1,1,0,0,0,0|1,0,1]=4 28 B11R0.148 CCCCCCCCCC(=N)N PH012191 [1,1,0,0,0,0|1,0,1]=4 29 B11R0.148 CCCCCCCCCC(=O)N S549878 [1,1,0,0,0,0|0,0,1]=3 30 B11R0.148 O=C(O)CCCCCCCCBr T333328 [1,1,0,0,0,0|1,0,0]=3 31 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [1,1,0,0,0,0|1,0,0]=3 32 B13R0.54 C=CCCCCCCCCOC(=O)C PH011353 [0,2,0,0,0,0|0,0,0]=2 33 B13R0.54 CCCCCCCCCCOC(=O)C S359947 [0,2,0,0,0,0|0,0,2]=4 34 B13R0.54 CCCCCCCCCNCC(=O)O PH014167 [0,2,0,0,0,0|0,0,2]=4 35 B13R0.54 CCCCCCCCOCCC(=O)O S530719 [0,2,0,0,0,0|0,0,2]=4 36 B13R0.54 CCCCCCCCSCCC(=O)O S233579 [0,2,0,0,0,0|0,0,2]=4 37 B13R0.54 CCCCSCCCCCCC(=O)O R397334 [0,2,0,0,0,0|0,0,2]=4 38 B13R0.54 NC(=O)CCCCCCCCC#CBr S28879 [0,2,0,0,0,0|0,0,2]=4 39 B13R0.54 O=C(O)CCCCCCCCC#CBr S199974 [0,2,0,0,0,0|0,0,2]=4 40 B13R0.147 C=CCCCCCCCCC(=O)NO PH008204 [0,2,0,0,0,0|0,0,0]=2 41 B13R0.336 OC/C=C/CCCCCCCCCBr S881554 [0,2,0,0,0,0|1,0,1]=4 42 B13R0.150 CCCCCCCCCC(C)C(=O)O PH003560 [0,2,0,0,0,0|0,0,2]=4 43 B13R0.179 CC(=O)CCCCCCCCC(=O)O S826499 [0,2,0,0,0,0|0,0,1]=3 44 B13R0.179 CC(Br)CCCCCCCCC(=O)O L203696 [0,2,0,0,0,0|0,0,2]=4 45 B13R0.179 NC(=O)CCCCCCCCC(=O)N R750662 [0,2,0,0,0,0|1,0,0]=3 46 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] CDS000582 [0,2,0,0,0,0|1,0,0]=3 47 B11R1.4 C(=O)OCCCC1CCCO1 T177563 [1,0,0,1,0,0|2,0,0]=4 48 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1O PH007887 [1,0,0,1,0,0|1,0,1]=4 49 B11R1.26 O=C\1CCCCCC/C1=C\O R238813 [1,0,0,1,0,0|1,0,1]=4 50 B11R1.28 C=CCCOC1CCCCO1 T241415 [1,0,0,1,0,0|1,0,1]=4 51 B11R1.101 O=C1C=CCCCCCCC1 T231835 [1,0,0,1,0,0|0,0,0]=2 52 B11R1.101 O=C1CCCCCCCCN1 S929964 [1,0,0,1,0,0|1,0,0]=3 53 B11R1.180 CCCCCC1CCCC1=O S148938 [1,0,0,1,0,0|0,0,1]=3 54 B13R1.279 OC1C=CCCCCCCCCC1 T203130 [0,1,0,1,0,0|0,0,2]=4 55 B13R1.470 CCCC(C)CC1CCCCC1=O S511137 [0,1,0,1,0,0|0,0,2]=4 56 B13R1.603 CCC1CCCCCCCCC1=O T168572 [0,1,0,1,0,0|0,0,2]=4 57 B13R1.654 CCCCCCCC1CCCC1=O S362212 [0,1,0,1,0,0|0,0,2]=4 58 B13R1.9128 C=CCC1(CCC=CCCC1=O)O T290971 [0,1,0,1,0,0|0,0,2]=4 59 B13R1.9128 C=CCC1(CCCCCCC1=O)O T273007 [0,1,0,1,0,0|0,0,0]=2 60 B13R1.154 C=CCOC1CCC=CCCC1=O T273015 [0,1,0,1,0,0|0,0,2]=4 61 B13R1.158 O=C(O)CCCN1CCCCC1=O CBR00581 [0,1,0,1,0,0|2,0,0]=4 62 B13R1.280 O=C(O)CCN1CCCCCC1=O CBR00470 [0,1,0,1,0,0|2,0,0]=4 63 B13R1.283 C=C1CCCCCCC1CN(C)C T213659 [0,1,0,1,0,0|2,0,0]=4 64 B13R1.380 C=CCC\1CCCC/C1=C\C(=O)O L127698 [0,1,0,1,0,0|0,0,2]=4 65 B13R1.380 CCCC1CCCCC1CC(=O)O L128902 [0,1,0,1,0,0|0,0,2]=4 66 B13R2.14 O=C1CCCCC12CCCCC2 T295582 [0,0,0,2,0,0|0,0,2]=4 67 B13R2.67 C1=CCC2=C(C1)CCCCCC2 T169773 [0,0,0,2,0,0|1,0,1]=4 68 B13R2.4787 [C@H]12CCCCCCCC1C(=O)N2 T179159 [0,0,0,2,0,0|1,0,1]=4 69 B13R2.4787 [C@H]12CCCCCCC[C@H]1C(=O)N2 T179191 [0,0,0,2,0,0|1,0,1]=4 70 B13R2.369 CC1CC2CCCCC2CC1=O S450723 [0,0,0,2,0,0|0,0,2]=4 71 B13R2.342 O=C1CCCC2C1CCCC2=O S906689 [0,0,0,2,0,0|1,0,0]=3