0 B11R0.62 CCOC(=S)SSC(=S)OCC S504459 [0,0,0,0,0,0|2,2,0]=4 1 B10R0.1 CCCNCCC(=O)OCC OTV000022 [1,0,0,0,0,0|2,0,0]=3 2 B10R0.108 CCOC(=O)/C=C/C(=O)O[TlH2] S765627 [1,0,0,0,0,0|1,0,2]=4 3 B12R0.69 CCOC(=O)/C=C(\Cl)/C(=O)OCC PH008737 [0,1,0,0,0,0|0,0,2]=3 4 B12R0.69 CCOC(=O)/C=C(\[O-])/C(=O)OCC S859133 [0,1,0,0,0,0|0,0,2]=3 5 B12R0.69 CCOC(=O)CC(C)C(=O)OCC S457728 [0,1,0,0,0,0|0,0,0]=1 6 B12R0.69 CCOC(=O)CN(C)C(=O)OCC PH001356 [0,1,0,0,0,0|1,0,0]=2 7 B12R0.69 CCOC(=O)C[C@H](O)C(=O)OCC PH015187 [0,1,0,0,0,0|0,0,0]=1 8 B12R1.206 O=C1CCC(=O)OCCCCO1 S765023 [0,0,0,1,0,0|0,0,0]=1 9 B12R1.318 CCOC(=O)CC1CCCC1=O T175358 [0,0,0,1,0,0|1,0,0]=2 10 B12R1.318 CCOC(=O)CN1CCCC1=O S782505 [0,0,0,1,0,0|2,0,0]=3 11 B10R0.2 CCCC(N)CC(=O)OCC CBR01547 [0,0,0,0,1,0|2,0,1]=4 12 B10R0.2 CCN/C(=C/C(=O)OCC)/C S541214 [0,0,0,0,1,0|2,0,1]=4 13 B10R0.2 CCNC(=O)CC(=O)NCC TMT00065 [0,0,0,0,1,0|2,0,0]=3 14 B10R0.2 CCOC(=O)CC(=S)OCC S664936 [0,0,0,0,1,0|0,1,0]=2 15 B10R0.2 CCOC(=O)NC(=O)OCC PH006851 [0,0,0,0,1,0|1,0,0]=2 16 B10R0.2 CCOC(=O)[CH-]C(=O)OCC S602574 [0,0,0,0,1,0|0,0,1]=2 17 B12R0.285 CCOC(=O)CCNC(=O)OCC PH001370 [0,0,0,0,0,1|0,0,0]=1 18 B12R0.285 CCOC(=O)NCNC(=O)OCC S438553 [0,0,0,0,0,1|1,0,0]=2 19 B9R0.5 CCCCCC(=O)CCC S411825 [2,0,0,0,0,0|1,0,1]=4 20 B9R0.5 CCCCNC(=O)OCC S406988 [2,0,0,0,0,0|1,0,1]=4 21 B9R0.5 CCOC(=O)CCCCI S677175 [2,0,0,0,0,0|1,0,1]=4 22 B9R0.5 CCOC(=O)CCCCN CDS023812 [2,0,0,0,0,0|1,0,1]=4 23 B9R0.24 CCC(=O)NNC(=O)CC S889598 [2,0,0,0,0,0|2,0,0]=4 24 B9R0.24 CNC(=O)CCC(=O)NC S374857 [2,0,0,0,0,0|2,0,0]=4 25 B9R0.24 COC(=O)CNC(=O)CN R701602 [2,0,0,0,0,0|2,0,0]=4 26 B9R0.48 C=C(C)CNC(=O)OCC S36022 [2,0,0,0,0,0|2,0,0]=4 27 B9R0.48 C=C(Cl)CCC(=O)OCC T277177 [2,0,0,0,0,0|1,0,1]=4 28 B9R0.48 CCOC(=S)SCC(=O)O S390321 [2,0,0,0,0,0|1,1,0]=4 29 B11R0.4 CCOC(=O)CCCCCCO R174513 [1,1,0,0,0,0|1,0,1]=4 30 B11R0.5 CCCCC(N)CC(=O)OCC CBR00803 [1,1,0,0,0,0|1,0,1]=4 31 B11R0.174 C(=C(\C)/CO)\CCC(=O)OCC T255688 [1,1,0,0,0,0|2,0,0]=4 32 B11R0.187 C/C=C(\C)/C(O)CC(=O)OCC S133906 [1,1,0,0,0,0|1,0,1]=4 33 B11R0.177 CCOC(=O)C(N)C(=O)OCC PH015410 [0,1,0,0,1,0|0,0,0]=2 34 B13R0.18 CCOC(=O)CCC(=O)C(=O)OCC CDS008208 [0,1,0,0,0,1|0,0,0]=2 35 B13R0.18 CCOC(=O)CCC(Br)C(=O)OCC PH001539 [0,1,0,0,0,1|0,0,0]=2 36 B13R0.18 CCOC(=O)CCC(N)C(=O)OCC S601144 [0,1,0,0,0,1|0,0,0]=2 37 B13R0.89 CCOC(=O)CN(C)CC(=O)OCC S573329 [0,1,0,0,0,1|0,0,0]=2 38 B13R0.225 CCOC(=O)C/C(=C\O)/C(=O)OCC S877220 [0,2,0,0,0,0|0,0,1]=3 39 B13R0.674 CCNC(=O)C(O)C(O)C(=O)NCC PH007334 [0,2,0,0,0,0|2,0,0]=4 40 B13R0.674 CCOC(=O)C(Br)C(Br)C(=O)OCC PH003685 [0,2,0,0,0,0|0,0,0]=2 41 B13R0.759 CCOC(=O)NC(C)(C)C(=O)OCC PH001360 [0,2,0,0,0,0|1,0,0]=3 42 B13R0.95 CCOC(=O)CCC(=O)CCC(=O)O PH011370 [0,2,0,0,0,0|1,0,1]=4 43 B13R0.176 CCCOC(=O)/C=C\C(=O)OCCC S653128 [0,2,0,0,0,0|0,0,2]=4 44 B13R0.176 O=C(NNC(=O)OCCO)OCCO PH008780 [0,2,0,0,0,0|2,0,0]=4 45 B13R0.27 CCOC(=O)CNC(=O)CC(C)(C)C R407763 [0,2,0,0,0,0|2,0,0]=4 46 B13R0.76 CC(C)OC(=O)CCC(=O)OC(C)C CDS013595 [0,2,0,0,0,0|0,0,0]=2 47 B11R1.30 CCOC(=O)CC1CCCC1 S433101 [1,0,0,1,0,0|1,0,1]=4 48 B11R1.101 O=C1CCC=CCCCCC1 S939781 [1,0,0,1,0,0|2,0,0]=4 49 B11R1.15 CCOC(=O)[C@@H]1CSC(=O)N1 R751480 [1,0,0,1,0,0|1,1,0]=4 50 B11R1.228 COC(=O)CC1CCCC1=O T177318 [1,0,0,1,0,0|1,0,0]=3 51 B13R1.404 CCOC(=O)CNCC1CCCO1 CDS021648 [0,0,0,1,0,1|1,0,1]=4 52 B13R1.470 CCOC(=O)CC1NCCNC1=O R639087 [0,1,0,1,0,0|1,0,0]=3 53 B13R1.470 CCOC(=O)CN1CCCCC1=O PH010201 [0,1,0,1,0,0|2,0,0]=4 54 B13R1.2909 CCOC(=O)C(=O)C1CCCC1=O S632414 [0,1,0,1,0,0|1,0,1]=4 55 B13R1.443 CCOC(=O)CC\1CCC/C1=N/O T175366 [0,1,0,1,0,0|1,0,1]=4 56 B13R1.1478 CCOC(=O)CC1CCC(C1=O)C T296031 [0,1,0,1,0,0|1,0,0]=3 57 B13R1.1483 CCOC(=O)CCC1(OCCO1)C S875813 [0,1,0,1,0,0|0,0,2]=4 58 B13R2.342 O=C1CCCC2C1CCCC2=O S906689 [0,0,0,2,0,0|2,0,0]=4 59 B13R2.3473 O=C1CCCC2(C1)CCCC2=O S929174 [0,0,0,2,0,0|2,0,0]=4 60 B13R2.371 [C@H]12CCCCC1C(=O)CCC2=O S305375 [0,0,0,2,0,0|2,0,0]=4 61 B9R0.35 CCNC(=O)C(=O)NCC L158526 [0,0,0,0,2,0|2,0,0]=4 62 B13R0.367 CCOC(=O)/N=C/C=N/C(=O)OCC PH008860 [0,0,0,0,0,2|0,0,2]=4 63 B13R0.367 CCOC(=O)CSSCC(=O)OCC T160482 [0,0,0,0,0,2|0,0,0]=2 64 B13R0.367 CCOC(=O)NCCNC(=O)OCC S360511 [0,0,0,0,0,2|0,0,0]=2