0 B10R0.3 CCOC(=O)CCCN(C)C PH002341 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.3 CCOC(=O)COCC(C)C T332593 [0,0,0,0,0,0|3,0,0]=3 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 B9R0.2 CCCCCCCC(C)Br S438758 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.2 CCCNOCCC(=O)C S581321 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.5 CCCCCC(=O)CCC S411825 [1,0,0,0,0,0|1,0,0]=2 8 B9R0.5 CCCCCC(C)CCC S431648 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.5 CCCCNC(=O)CC#N PH010800 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.5 CCCCNC(=O)CCC EME00389 [1,0,0,0,0,0|1,0,0]=2 11 B9R0.5 CCCCNC(=O)CNC CBR01986 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.5 CCCCNC(=O)NCC S802077 [1,0,0,0,0,0|2,0,0]=3 13 B9R0.5 CCCCNC(=O)OCC S406988 [1,0,0,0,0,0|2,0,0]=3 14 B9R0.5 CCCCOC(C)OCC S240214 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.5 CCNC(=O)NCCCO S804738 [1,0,0,0,0,0|3,0,0]=4 16 B9R0.5 CCNC(=O)NCCOC S804746 [1,0,0,0,0,0|3,0,0]=4 17 B9R0.5 CCOC(=O)CCCCI S677175 [1,0,0,0,0,0|3,0,0]=4 18 B9R0.5 CCOC(=O)CCCCN CDS023812 [1,0,0,0,0,0|3,0,0]=4 19 B9R0.5 CCOC(=O)NCCCBr PH001320 [1,0,0,0,0,0|3,0,0]=4 20 B11R0.1 CCOC(=O)CC(N)CC(C)C CBR01344 [0,1,0,0,0,0|2,0,0]=3 21 B11R0.180 CCCC(=O)OCC[N+](C)(C)C R278742 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.15 CCCC(=O)N1CCC(C1)N PH015378 [0,0,0,1,0,0|2,0,0]=3 23 B9R0.48 CCOC(C)OCC(C)C CDS018832 [0,0,0,0,1,0|2,0,1]=4 24 B11R0.176 CCCC(=O)OCCCC(=O)C R396044 [0,0,0,0,0,1|1,0,1]=3 25 B11R0.176 CCOC(=O)OCCCN(C)C S389528 [0,0,0,0,0,1|2,0,0]=3 26 B8R0.6 C=CC(=O)OCCCC S444715 [2,0,0,0,0,0|0,0,2]=4 27 B8R0.6 CCCCCC(=O)SC CDS010601 [2,0,0,0,0,0|2,0,0]=4 28 B8R0.6 CCCCNC(=O)CCl TMT00394 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.6 CCCCNC(=O)OC S352683 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.6 CCCCOC(=O)CCl S431451 [2,0,0,0,0,0|1,0,0]=3 31 B8R0.6 CCCCOC(=O)CS S436992 [2,0,0,0,0,0|1,0,0]=3 32 B8R0.7 CC(C)CCCCCN CDS001505 [2,0,0,0,0,0|1,0,1]=4 33 B8R0.7 CC(C)CCNCCO S393983 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.7 CCCCCCC(C)C S430935 [2,0,0,0,0,0|0,0,1]=3 35 B8R0.7 CCCCCCC(C)Cl S564516 [2,0,0,0,0,0|1,0,1]=4 36 B8R0.7 CCCCSCC(C)C S570567 [2,0,0,0,0,0|0,1,1]=4 37 B8R0.28 C=C(C)CCOC(=O)C S881171 [2,0,0,0,0,0|0,0,2]=4 38 B8R0.28 CC(=O)CCCC(C)C CDS000306 [2,0,0,0,0,0|1,0,0]=3 39 B8R0.28 CC(=O)CCCN(C)C PH014778 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.28 CC(=O)CCOC(=O)C PH003361 [2,0,0,0,0,0|1,0,1]=4 41 B8R0.28 CC(=O)CSCC(C)C EME00074 [2,0,0,0,0,0|2,0,0]=4 42 B8R0.28 CC(=O)OCCN(C)C PH011981 [2,0,0,0,0,0|1,0,0]=3 43 B8R0.28 CC(C)CCCC(=O)O CDS003381 [2,0,0,0,0,0|2,0,0]=4 44 B8R0.4 CCCCNCCCC S367869 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.4 CCCCNCCCC S503894 [2,0,0,0,0,0|1,0,1]=4 46 B8R0.4 CCCCNCCCC S566152 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.4 [NH2+](CCCC)CCCC S348880 [2,0,0,0,0,0|1,0,1]=4 48 B8R0.1 CCCCC(=O)CCC S456489 [2,0,0,0,0,0|0,0,0]=2 49 B8R0.1 CCCNC(=O)NCC S805858 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.1 CCCNC(=O)OCC S361909 [2,0,0,0,0,0|2,0,0]=4 51 B8R0.1 CCOC(=O)CCOC CDS025273 [2,0,0,0,0,0|2,0,0]=4 52 B10R0.57 CCC(=O)/C(=C/CC(C)C)/C S84566 [1,1,0,0,0,0|1,0,1]=4 53 B10R0.60 CCC(=O)OCC[N+](C)(C)C S442631 [1,1,0,0,0,0|1,0,0]=3 54 B10R0.98 CC(C)CCOC(=O)C(C)O PH011490 [1,1,0,0,0,0|0,0,0]=2 55 B10R0.4 CC(C)CCCCCCCO PH008704 [1,1,0,0,0,0|1,0,1]=4 56 B10R0.6 CCCCCC(O)CC(C)C S417432 [1,1,0,0,0,0|1,0,1]=4 57 B10R0.75 CCCCCCC(O)C(C)C S417424 [1,1,0,0,0,0|1,0,1]=4 58 B10R0.97 CC(C)CCNCCC(C)C PH012262 [1,1,0,0,0,0|1,0,1]=4 59 B10R0.97 CC(C)CCNCCC(C)C PH015267 [1,1,0,0,0,0|1,0,1]=4 60 B10R0.97 CC(C)CCSCCC(C)C S570478 [1,1,0,0,0,0|0,1,1]=4 61 B10R0.1 CCCCCOC(=O)CC#N S549703 [1,1,0,0,0,0|1,0,1]=4 62 B10R0.1 CCCNCCC(=O)OCC OTV000022 [1,1,0,0,0,0|2,0,0]=4 63 B10R0.2 CCCC(N)CC(=O)OCC CBR01547 [1,1,0,0,0,0|2,0,0]=4 64 B10R0.83 CCCCNC(=O)C(Br)CC PH015166 [1,1,0,0,0,0|1,0,0]=3 65 B10R0.91 CCCCNC(=O)CNCC PH014734 [1,1,0,0,0,0|1,0,0]=3 66 B10R0.91 CCCCNC(=O)OCCI PH005343 [1,1,0,0,0,0|2,0,0]=4 67 B10R0.91 CCCCOC(=O)CCCN T160474 [1,1,0,0,0,0|0,0,0]=2 68 B10R0.91 CCNCC(=O)NCCOC PH014802 [1,1,0,0,0,0|2,0,0]=4 69 B10R0.108 CCCC(=O)OCC(O)CO CDS003526 [1,1,0,0,0,0|1,0,0]=3 70 B10R0.26 CCOC(=O)CC(N)C(C)C CBR00804 [0,1,0,0,1,0|1,0,0]=3 71 B10R0.32 CCOC(=O)C(N)CC(C)C S846015 [0,1,0,0,1,0|1,0,0]=3 72 B10R0.32 CCOC(=O)C(O)CC(C)C CDS000270 [0,1,0,0,1,0|1,0,0]=3 73 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC S598895 [0,1,0,0,1,0|1,0,0]=3 74 B12R0.3 CC(C)CC(=O)OC(=O)CC(C)C S570982 [0,2,0,0,0,0|0,0,1]=3 75 B10R1.13 CC(C)N1CCC(=O)CC1 S563617 [1,0,0,1,0,0|2,0,0]=4 76 B10R1.13 CC(C)[C@@H]1CCC(=O)OC1 T295736 [1,0,0,1,0,0|0,0,0]=2 77 B10R1.14 CCC(=O)N1CCC(C1)O CDS024255 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.302 CC1(CC=CC(=O)CC1)C T202908 [1,0,0,1,0,0|1,0,1]=4 79 B10R1.302 C[N+]1(CCNC(=O)CC1)C T281166 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.18 CC(C)CC1CCCCC1 S564869 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.18 CC(C)OC1CCCCO1 T332879 [1,0,0,1,0,0|1,0,1]=4 82 B10R1.78 CC1CCCCCCCC1 T187364 [1,0,0,1,0,0|1,0,1]=4 83 B10R1.29 CCCCN1CCCC1=O S434221 [1,0,0,1,0,0|1,0,0]=3 84 B10R1.138 CNCC(=O)NCC1CC1 PH017398 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.1 CCCN1CCC(CC1)C S647748 [0,0,0,1,1,0|2,0,0]=4 86 B10R1.30 CCN1C[C@H](NCC1=O)C CDS008125 [0,0,0,1,1,0|2,0,0]=4 87 B10R1.71 O=C1CCCCC(=O)CC1 S879320 [0,0,0,1,1,0|1,0,1]=4 88 B10R1.113 CC(C)C1CCCC(=O)C1 S883786 [0,0,0,1,1,0|0,0,0]=2 89 B10R1.113 CC(C)[C@@H]1CCOC(=O)C1 T253251 [0,0,0,1,1,0|1,0,0]=3 90 B12R1.226 CC(C)COC1=CC(=O)CCC1 S864978 [0,0,0,1,0,1|1,0,1]=4 91 B12R1.978 CC1(CCCCC(=O)CCC1)C T191582 [0,0,0,1,0,1|1,0,0]=3 92 B12R1.498 CC(=O)N1C(=O)OC[C@@H]1C(C)C T279277 [0,1,0,1,0,0|1,0,1]=4 93 B12R1.16 CCCC(=O)N1CCC(CC1)N PH019110 [0,1,0,1,0,0|2,0,0]=4 94 B12R1.895 CC(C)CCC1C(=O)CCC1=O PH009681 [0,1,0,1,0,0|1,0,1]=4 95 B12R1.895 CC1=C(C(=O)CC1)OCC(C)C PH007689 [0,1,0,1,0,0|2,0,0]=4 96 B12R1.126 CC(C)(C)[C@H]1CCC(=O)C[C@H]1O T263591 [0,1,0,1,0,0|2,0,0]=4 97 B12R1.1019 CC(C)(C)C1CCNC(=O)CC1 S540757 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.2325 C[N+]12CCCC1C(=O)NCC2 T299154 [0,0,0,2,0,0|2,0,0]=4 99 B12R2.766 C[C@H]1CC(=O)C2CC1C2(C)C T258598 [0,0,0,2,0,0|1,0,0]=3 100 B12R2.1088 CC1(C2CCCC(=O)C1C2)C T213063 [0,0,0,2,0,0|1,0,0]=3 101 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [1,0,0,0,1,0|2,0,0]=4 102 B8R0.9 CCC(O)CCC(C)C CDS000278 [1,0,0,0,1,0|0,0,2]=4 103 B8R0.5 CC(C)OC(=O)CC#N S615137 [0,0,0,0,2,0|1,0,1]=4 104 B8R0.5 CCCC(=O)CC(=O)C S839566 [0,0,0,0,2,0|1,0,1]=4 105 B8R0.5 CCOC(=O)NC(C)C PH000346 [0,0,0,0,2,0|2,0,0]=4