0 B10R0.98 CC(C)CCOC(=O)C(C)O PH011490 [0,0,0,0,0,0|1,0,0]=1 1 B10R0.98 CN(C)CCSC(=S)N(C)C PH008795 [0,0,0,0,0,0|2,2,0]=4 2 B9R0.1 CC(C)CCOC(=O)CCl S431494 [1,0,0,0,0,0|1,0,0]=2 3 B9R0.1 CC(C)CCOC(=O)CS S570311 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.1 CCC(C)CCCC(C)C S765406 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.47 CCCCCC(=O)C(C)C S357944 [1,0,0,0,0,0|1,0,0]=2 6 B9R0.47 CCCCCC(O)C(C)C S431656 [1,0,0,0,0,0|1,0,2]=4 7 B11R0.150 CC(C)C(=O)NNC(=O)C(C)C PH007049 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.21 CC1CC(C=CC1=O)C(C)C T209848 [0,0,0,1,0,0|1,0,1]=3 9 B11R1.80 CC(=O)CC1CC(C(=O)O1)C T161233 [0,0,0,1,0,0|1,0,1]=3 10 B11R1.565 CC1CCNC(CC1)C(C)C T176184 [0,0,0,1,0,0|2,0,1]=4 11 B9R0.7 CC(=NNC(=O)C(C)C)C S420220 [0,0,0,0,1,0|2,0,1]=4 12 B9R0.7 CC(=O)C(=O)OCC(C)C PH008589 [0,0,0,0,1,0|1,0,1]=3 13 B9R0.7 CC(C)CCC(=O)C(C)C S450499 [0,0,0,0,1,0|0,0,0]=1 14 B9R0.7 CC(C)CCC(=O)C(Cl)Cl R462357 [0,0,0,0,1,0|2,0,0]=3 15 B9R0.7 CC(C)NNC(=O)C(C)C PH008978 [0,0,0,0,1,0|2,0,0]=3 16 B11R0.6 CC(C)CCCC(C)NC(C)C S654957 [0,0,0,0,0,1|2,0,1]=4 17 B8R0.6 C=CC(=O)OCCCC S444715 [2,0,0,0,0,0|0,0,2]=4 18 B8R0.6 CCCCCC(=O)SC CDS010601 [2,0,0,0,0,0|2,0,0]=4 19 B8R0.6 CCCCNC(=O)CCl TMT00394 [2,0,0,0,0,0|2,0,0]=4 20 B8R0.6 CCCCNC(=O)OC S352683 [2,0,0,0,0,0|2,0,0]=4 21 B8R0.6 CCCCOC(=O)CCl S431451 [2,0,0,0,0,0|1,0,0]=3 22 B8R0.6 CCCCOC(=O)CS S436992 [2,0,0,0,0,0|1,0,0]=3 23 B8R0.7 CCCCCCC(C)C S430935 [2,0,0,0,0,0|1,0,1]=4 24 B8R0.7 CCCCSCC(C)C S570567 [2,0,0,0,0,0|0,1,1]=4 25 B8R0.28 C=C(C)CCOC(=O)C S881171 [2,0,0,0,0,0|0,0,2]=4 26 B8R0.28 CC(=O)CCCC(C)C CDS000306 [2,0,0,0,0,0|1,0,0]=3 27 B8R0.28 CC(=O)CCCN(C)C PH014778 [2,0,0,0,0,0|2,0,0]=4 28 B8R0.28 CC(=O)CCOC(=O)C PH003361 [2,0,0,0,0,0|1,0,1]=4 29 B8R0.28 CC(=O)CSCC(C)C EME00074 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.28 CC(=O)OCCN(C)C PH011981 [2,0,0,0,0,0|1,0,0]=3 31 B8R0.28 CC(C)CCCC(=O)O CDS003381 [2,0,0,0,0,0|2,0,0]=4 32 B8R0.8 CCCCC(=O)N(C)C S939811 [2,0,0,0,0,0|1,0,0]=3 33 B8R0.8 CN(C)C(=O)CCCN CBR00927 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.8 COCCC(=O)C(C)C CDS024032 [2,0,0,0,0,0|1,0,0]=3 35 B10R0.3 CCOC(=O)CCCN(C)C PH002341 [1,1,0,0,0,0|2,0,0]=4 36 B10R0.3 CCOC(=O)COCC(C)C T332593 [1,1,0,0,0,0|2,0,0]=4 37 B10R0.57 CCC(=O)/C(=C/CC(C)C)/C S84566 [1,1,0,0,0,0|1,0,1]=4 38 B10R0.60 CCC(=O)OCC[N+](C)(C)C S442631 [1,1,0,0,0,0|1,0,0]=3 39 B10R0.75 CCCCCCC(=O)C(C)C S350575 [1,1,0,0,0,0|1,0,0]=3 40 B10R0.75 CCOCCOC(=O)C(C)C R278068 [1,1,0,0,0,0|0,0,0]=2 41 B10R0.83 CCCCNC(=O)C(Br)CC PH015166 [1,1,0,0,0,0|2,0,0]=4 42 B10R0.12 CN(C)CCC(=O)C(C)(C)C S681008 [0,1,0,0,1,0|1,0,0]=3 43 B10R0.84 CC(=C(CO)CCC(C)C)C S351598 [0,1,0,0,1,0|0,0,2]=4 44 B10R0.92 CC(C)C(=O)NOC(C)(C)C S304239 [0,1,0,0,1,0|2,0,0]=4 45 B10R0.93 C=C(CC(O)C(C)C)C(C)O T262293 [0,1,0,0,1,0|2,0,0]=4 46 B10R0.93 CC(=CC(=O)C(C)C)C(C)C S38521 [0,1,0,0,1,0|0,0,2]=4 47 B12R0.3 CC(C)CC(=O)OC(=O)CC(C)C S570982 [0,1,0,0,0,1|0,0,1]=3 48 B12R0.627 CC(C)C(=O)O[Cu]OC(=O)C(C)C CDS003339 [0,1,0,0,0,1|1,0,1]=4 49 B10R1.13 CC(C)N1CCC(=O)CC1 S563617 [1,0,0,1,0,0|2,0,0]=4 50 B10R1.13 CC(C)[C@@H]1CCC(=O)OC1 T295736 [1,0,0,1,0,0|0,0,0]=2 51 B10R1.14 CCC(=O)N1CCC(C1)O CDS024255 [1,0,0,1,0,0|2,0,0]=4 52 B10R1.302 CC1(CC=CC(=O)CC1)C T202908 [1,0,0,1,0,0|1,0,1]=4 53 B10R1.302 C[N+]1(CCNC(=O)CC1)C T281166 [1,0,0,1,0,0|2,0,0]=4 54 B10R1.7 CC1CCCCCCC1=O S53075 [1,0,0,1,0,0|1,0,0]=3 55 B10R1.23 CC(O)C(=O)N1CCCC1 PH010531 [1,0,0,1,0,0|2,0,0]=4 56 B10R1.131 CCCC1OC(=O)C(O1)C S397873 [1,0,0,1,0,0|1,0,0]=3 57 B10R1.83 CC(=C1OC(=O)C1(C)C)C PH009575 [0,0,0,1,1,0|0,0,2]=4 58 B10R1.147 CC1(CCC(=O)C(=O)C1)C PH008262 [0,0,0,1,1,0|1,0,1]=4 59 B12R1.498 CC(=O)N1C(=O)OC[C@@H]1C(C)C T279277 [0,0,0,1,0,1|1,0,1]=4 60 B12R1.837 CC(C)(C)C(=O)N1CCC(C1)N PH018312 [0,1,0,1,0,0|2,0,0]=4 61 B12R1.20 CC(C)C(=O)N1CCC(CC1)N CBR00874 [0,1,0,1,0,0|2,0,0]=4 62 B12R1.256 CC(C)C1=CCC(CC1)C(C)C R751057 [0,1,0,1,0,0|2,0,0]=4 63 B12R2.2863 CC1(C2CC(C(=O)C1C2)Br)C T248517 [0,0,0,2,0,0|2,0,0]=4 64 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [1,0,0,0,1,0|2,0,0]=4 65 B8R0.9 CCC(O)CCC(C)C CDS000278 [1,0,0,0,1,0|0,0,2]=4 66 B8R0.23 CC(=O)CC(=O)C(C)C CBR01575 [0,0,0,0,2,0|1,0,1]=4 67 B8R0.23 CC(C)CC(O)C(C)C S437425 [0,0,0,0,2,0|0,0,2]=4 68 B10R0.6 CCCCCC(=O)C=C(C)C T270466 [1,0,0,0,0,1|1,0,1]=4 69 B10R0.6 COCCOC(=O)C=C(C)C S240443 [1,0,0,0,0,1|1,0,1]=4 70 B10R0.97 CC(C)CCNCCC(C)C PH012262 [1,0,0,0,0,1|1,0,1]=4 71 B10R0.97 CC(C)CCNCCC(C)C PH015267 [1,0,0,0,0,1|1,0,1]=4 72 B10R0.97 CC(C)CCSCCC(C)C S570478 [1,0,0,0,0,1|0,1,1]=4