0 B13R0.2 C(=C\CCC(=O)OCC)\CCCCC R277754 [0,0,0,0,0,0|2,0,2]=4 1 B13R0.2 CCCCCCCCCC(=O)CCC CDS000692 [0,0,0,0,0,0|1,0,0]=1 2 B13R0.2 CCCCCCCCNC(=O)CC#N S281050 [0,0,0,0,0,0|2,0,1]=3 3 B12R0.1 CCCCOCCOC(=O)CCC PH008717 [1,0,0,0,0,0|1,0,0]=2 4 B12R0.5 CCCCCCCCCCCCN S825913 [1,0,0,0,0,0|2,0,1]=4 5 B12R0.5 CCCCCCCCCCCCN S825956 [1,0,0,0,0,0|2,0,1]=4 6 B12R0.5 CCCCCCCCCCCCN S826987 [1,0,0,0,0,0|2,0,1]=4 7 B12R0.5 CCCCCCCCCCSCC S546925 [1,0,0,0,0,0|2,0,1]=4 8 B12R0.5 CCCCCCCCNCCCN PH000443 [1,0,0,0,0,0|2,0,1]=4 9 B12R0.5 CCCCCCNCCCCCC S563226 [1,0,0,0,0,0|2,0,1]=4 10 B12R0.248 C=CC(=O)OCCCCCCCC CDS004485 [1,0,0,0,0,0|0,0,2]=3 11 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [1,0,0,0,0,0|1,0,0]=2 12 B12R0.248 CCCCCCCCCC(=O)NN S550280 [1,0,0,0,0,0|3,0,0]=4 13 B12R0.248 CCCCCCCCNC(=O)CCl S376833 [1,0,0,0,0,0|2,0,0]=3 14 B12R0.248 CCCCCCCCOC(=O)CCl S530727 [1,0,0,0,0,0|1,0,0]=2 15 B12R0.248 COC(=O)CCCCCCCCI T266353 [1,0,0,0,0,0|3,0,0]=4 16 B14R0.1 CCCC(=O)NCCCNC(=O)CCC R343439 [0,1,0,0,0,0|2,0,1]=4 17 B14R0.83 CCCCCCCCC(Br)C(=O)OCC S377406 [0,1,0,0,0,0|2,0,0]=3 18 B14R0.391 CCCCCCCCNC(=O)CC(=O)C S561266 [0,1,0,0,0,0|1,0,1]=3 19 B14R0.391 CCCCCCCCOC(=O)CC(=O)C CDS000569 [0,1,0,0,0,0|0,0,1]=2 20 B14R0.493 CCCCCCCCCC(=O)NCCO R594741 [0,1,0,0,0,0|2,0,0]=3 21 B14R1.40 CCCCCCCCCC1=NCCS1 PH008238 [0,0,0,1,0,0|2,1,0]=4 22 B11R0.3 CC/C=C/CCCCCCCC PH003558 [2,0,0,0,0,0|0,0,1]=3 23 B11R0.3 CCCCCCCCCCSC S540161 [2,0,0,0,0,0|1,0,1]=4 24 B11R0.3 CCCCCCCCCSCC S547158 [2,0,0,0,0,0|1,0,1]=4 25 B11R0.3 CCCCCCCCNCCN PH000414 [2,0,0,0,0,0|2,0,0]=4 26 B11R0.3 CCCCCCCCNCCN S235881 [2,0,0,0,0,0|2,0,0]=4 27 B11R0.3 CCCCCCCCNCCS PH012947 [2,0,0,0,0,0|2,0,0]=4 28 B11R0.3 CCCSCCCCSCCC S347868 [2,0,0,0,0,0|1,1,0]=4 29 B11R0.4 CCCCCCCC(=O)CCC CDS001481 [2,0,0,0,0,0|0,0,0]=2 30 B11R0.4 CCCCCCCC(=O)OCCl PH007966 [2,0,0,0,0,0|2,0,0]=4 31 B11R0.4 CCOC(=O)CCCCCCO R174513 [2,0,0,0,0,0|2,0,0]=4 32 B11R0.148 C(=O)CCCCCCOC(=O)C T168823 [2,0,0,0,0,0|1,0,1]=4 33 B11R0.148 CCCCCCCCC=C(C)C T293466 [2,0,0,0,0,0|2,0,0]=4 34 B11R0.148 CCCCCCCCCC(=O)N S549878 [2,0,0,0,0,0|2,0,0]=4 35 B13R0.275 CCCCCCCC(Br)C(=O)OCC PH006096 [1,1,0,0,0,0|1,0,0]=3 36 B13R0.335 CCCCCCCOC(=O)CC(=O)C S556904 [1,1,0,0,0,0|0,0,1]=3 37 B13R0.335 CCCCCCCOC(=O)CC(C)C S630381 [1,1,0,0,0,0|0,0,0]=2 38 B13R0.1338 CCCCCCCCS(=O)(=O)CCCl R397342 [1,1,0,0,0,0|2,0,0]=4 39 B13R0.1338 CCCCCCCCS(=O)(=O)CCN R395757 [1,1,0,0,0,0|2,0,0]=4 40 B13R0.165 CCCCCCC(C)CCCCCC PH007361 [1,1,0,0,0,0|1,0,1]=4 41 B13R0.165 CCCCCCC(O)CCCCCC S544213 [1,1,0,0,0,0|1,0,1]=4 42 B13R0.336 CCCNCCCCCCNCCC S393959 [1,1,0,0,0,0|2,0,0]=4 43 B13R0.338 CCCCCCCC(=O)OCCCC CDS000585 [1,1,0,0,0,0|0,0,2]=4 44 B13R0.150 CCCCCCCCCC(=O)N(C)C CDS001534 [1,1,0,0,0,0|2,0,0]=4 45 B13R0.274 CCCCCCCC(C)NC(=O)CCl S377171 [1,1,0,0,0,0|2,0,0]=4 46 B15R0.366 CCCCCCCCCCCC(=O)CCN S236551 [0,2,0,0,0,0|2,0,0]=4 47 B15R0.366 CCCCCCCCCCOC(=O)CC#N S551279 [0,2,0,0,0,0|1,0,1]=4 48 B15R0.366 CCOC(=O)CCCCCCCCCCBr S557498 [0,2,0,0,0,0|2,0,0]=4 49 B15R0.88 CCCCCCCCCC(=O)OCC(C)C CDS000575 [0,2,0,0,0,0|1,0,0]=3 50 B13R1.42 CCOC(=O)CCC1CCCCC1 R278807 [1,0,0,1,0,0|1,0,0]=3 51 B13R1.603 CCC1CCCCCCCCC1=O T168572 [1,0,0,1,0,0|0,0,0]=2 52 B13R1.654 CCCCCCCC1CCCC1=O S362212 [1,0,0,1,0,0|0,0,0]=2 53 B13R1.2851 CCCCCC1CC1C(=O)OCC T172472 [1,0,0,1,0,0|1,0,0]=3 54 B13R1.28 CCCCCCCC1CCCCC1 S412422 [1,0,0,1,0,0|1,0,1]=4 55 B13R1.28 CCCCCCOC1CCCCO1 S35220 [1,0,0,1,0,0|1,0,1]=4 56 B13R1.2883 N1CCCCCCCCCCCC1 S457582 [1,0,0,1,0,0|1,0,1]=4 57 B15R1.35 CCCCCCCCCC1=NCCCS1 PH008219 [0,1,0,1,0,0|1,1,0]=4 58 B15R1.778 CCOC(=O)NCCCN1CCCCC1 PH013063 [0,1,0,1,0,0|2,0,0]=4 59 B15R2.13221 O=C1C=C2CCCCCCCC(C1)C2 T231983 [0,0,0,2,0,0|1,0,1]=4 60 B15R2.13221 [C@H]12CCCCCCC[C@H](C1)CC(=C)C2 T245003 [0,0,0,2,0,0|2,0,0]=4 61 B15R2.13221 [C@H]12CCCCCCC[C@H](C1)CC(=O)C2 T288896 [0,0,0,2,0,0|1,0,0]=3 62 B15R2.55 O=C1CCCN1CCC2CCCCN2 CBR01163 [0,0,0,2,0,0|2,0,0]=4 63 B15R2.55 O=C1CCCN1CCC2CCNCC2 CBR01232 [0,0,0,2,0,0|2,0,0]=4 64 B15R2.74812 CCOC(=O)C1C2C1CCCCCC2 T191620 [0,0,0,2,0,0|2,0,0]=4