0 B12R0.206 CCC=CCCOC(=O)CCCC MCULE-6814187041 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.206 CCCC=CCOC(=O)CCCC MCULE-8437069176 [0,0,0,0,0,0|0,0,2]=2 2 B12R0.206 CCCCCCCC(=O)CCCC MCULE-8871455068 [0,0,0,0,0,0|1,0,2]=3 3 B12R0.206 CCCCCCCC(=O)OCCC MCULE-5108681764 [0,0,0,0,0,0|2,0,2]=4 4 B12R0.206 CCCCCCOC(C)CCCC MCULE-3599664509 [0,0,0,0,0,0|1,0,3]=4 5 B11R0.3 CCCC/C=C\CCCCCC MCULE-3573509087 [1,0,0,0,0,0|1,0,2]=4 6 B11R0.3 CCCCC=CCCCCCC MCULE-5218594928 [1,0,0,0,0,0|1,0,2]=4 7 B11R0.3 CCCCCCCCC=CCO MCULE-3768375215 [1,0,0,0,0,0|2,0,1]=4 8 B11R0.4 CC/C=C\CCOC(=O)CCC MCULE-7352409576 [1,0,0,0,0,0|0,0,0]=1 9 B11R0.4 CC/C=C\CCOC(C)OCC MCULE-7378247194 [1,0,0,0,0,0|2,0,1]=4 10 B11R0.4 CC=CC(=O)OCCC=CCC MCULE-6421894922 [1,0,0,0,0,0|0,0,2]=3 11 B11R0.4 CCC/C=C/COC(=O)CCC MCULE-6588919367 [1,0,0,0,0,0|0,0,2]=3 12 B11R0.4 CCC=CCCOC(=O)CCC MCULE-6196690982 [1,0,0,0,0,0|0,0,0]=1 13 B11R0.4 CCC=CCCOC(C)OCC MCULE-6113599038 [1,0,0,0,0,0|2,0,1]=4 14 B11R0.4 CCCC(=O)OCCOCCCl MCULE-9223837861 [1,0,0,0,0,0|2,0,1]=4 15 B11R0.4 CCCC=CCOC(=O)CCC MCULE-6083586714 [1,0,0,0,0,0|0,0,2]=3 16 B11R0.4 CCCCCCCC(=O)CCC MCULE-1180729281 [1,0,0,0,0,0|1,0,2]=4 17 B11R0.4 CCCCCCNC(=O)CCC MCULE-8057065415 [1,0,0,0,0,0|1,0,2]=4 18 B11R0.4 CCCCCCOC(=O)CCC MCULE-8350935490 [1,0,0,0,0,0|0,0,2]=3 19 B11R0.4 CCCCCCOC(=O)COC MCULE-6245511541 [1,0,0,0,0,0|1,0,2]=4 20 B11R0.81 C=C(CCCC)CCCCCC MCULE-1300928710 [1,0,0,0,0,0|1,0,2]=4 21 B11R0.81 CCCCCCC(=O)CCCC MCULE-3791343950 [1,0,0,0,0,0|0,0,2]=3 22 B11R0.81 CCCCCCC(=O)OCCC MCULE-6309887109 [1,0,0,0,0,0|1,0,2]=4 23 B11R0.81 CCCCCOC(=O)CCCC MCULE-4804815950 [1,0,0,0,0,0|0,0,1]=2 24 B11R0.81 O=C(CCCO)OCCCCCl MCULE-6327788570 [1,0,0,0,0,0|2,0,1]=4 25 B13R0.66 CCCCCCCCC(=O)CCCC MCULE-3156876863 [0,1,0,0,0,0|1,0,2]=4 26 B13R0.175 CCCCC(=O)CCCC(=O)OCC MCULE-9779499391 [0,1,0,0,0,0|2,0,0]=3 27 B13R0.175 CCCNC(=O)NCCC(=O)OCC MCULE-6666942467 [0,1,0,0,0,0|3,0,0]=4 28 B13R0.275 CCCC(C)C(=O)NCCCOCC MCULE-4680256453 [0,1,0,0,0,0|2,0,1]=4 29 B13R0.338 C(=C\CCOC(=O)CCCCC)\CC MCULE-1228584265 [0,1,0,0,0,0|0,0,0]=1 30 B13R0.338 CC/C=C/CCOC(=O)C/C=C/CC MCULE-6482784656 [0,1,0,0,0,0|0,0,1]=2 31 B13R0.338 CC/C=C\CCOC(=O)C/C=C\CC MCULE-9808677761 [0,1,0,0,0,0|0,0,1]=2 32 B13R0.338 CCC/C=C/COC(=O)CCCCC MCULE-5516031823 [0,1,0,0,0,0|0,0,2]=3 33 B13R0.338 CCC=CCCOC(=O)CC=CCC MCULE-3112559586 [0,1,0,0,0,0|0,0,1]=2 34 B13R0.338 CCC=CCCOC(=O)CCCCC MCULE-1053090192 [0,1,0,0,0,0|0,0,0]=1 35 B13R0.338 CCCC=CCOC(=O)C=CCCC MCULE-6692550467 [0,1,0,0,0,0|0,0,3]=4 36 B13R0.338 CCCC=CCOC(=O)CCCCC MCULE-8349552880 [0,1,0,0,0,0|0,0,2]=3 37 B13R0.338 CCCCCC(=O)OCCOCCCl MCULE-6603727370 [0,1,0,0,0,0|2,0,1]=4 38 B13R0.338 CCCCCCCC(=O)OCCCC MCULE-6089605512 [0,1,0,0,0,0|1,0,2]=4 39 B13R0.338 CCCCCCNC(=O)CCCCC MCULE-1589198497 [0,1,0,0,0,0|1,0,2]=4 40 B13R0.338 CCCCCCOC(=O)CCCCC MCULE-5321315306 [0,1,0,0,0,0|0,0,2]=3 41 B13R1.44 CCCCC(=O)NC1CCCCC1 MCULE-6806749220 [0,0,0,1,0,0|1,0,2]=4 42 B13R1.44 CCCCC(=O)OC1CCCCC1 MCULE-9780966255 [0,0,0,1,0,0|0,0,2]=3 43 B13R1.44 NCCCC(=O)OC1CCCCC1 MCULE-9213389822 [0,0,0,1,0,0|1,0,2]=4 44 B13R1.44 NCCCC(=O)OC1CCCCC1 MCULE-9718722768 [0,0,0,1,0,0|1,0,2]=4 45 B13R1.153 CCCCC(=O)OCC1=CC=CO1 MCULE-7305756450 [0,0,0,1,0,0|1,0,2]=4 46 B13R1.279 O=C1CCCCCCCCCCC1 MCULE-8431279332 [0,0,0,1,0,0|1,0,2]=4 47 B13R1.279 O=C1CCCCCCCCCCN1 MCULE-7739147292 [0,0,0,1,0,0|1,0,2]=4 48 B13R1.279 O=C1CCCCCCCCCCO1 MCULE-5646678690 [0,0,0,1,0,0|0,0,2]=3 49 B13R1.555 CCCCCCC1CCCCC1=O MCULE-7562924636 [0,0,0,1,0,0|1,0,2]=4 50 B13R1.674 CCCCC(=O)N1CCNCC1C MCULE-6452237707 [0,0,0,1,0,0|2,0,1]=4 51 B13R1.2488 CCCCC(=O)N1CCCNCC1 MCULE-5275521898 [0,0,0,1,0,0|2,0,1]=4 52 B10R0.71 CC/C=C\C/C=C\CCCO MCULE-1130402964 [2,0,0,0,0,0|1,0,1]=4 53 B10R0.71 CCC=CCC=CCCCO MCULE-2677869651 [2,0,0,0,0,0|1,0,1]=4 54 B10R0.71 CCCCCCCC=CCO MCULE-3462895858 [2,0,0,0,0,0|1,0,1]=4 55 B10R0.71 CCCCCOCCCCC MCULE-2510849143 [2,0,0,0,0,0|0,0,2]=4 56 B10R0.1 CC=CCCCC(=O)OCC MCULE-9997629917 [2,0,0,0,0,0|2,0,0]=4 57 B10R0.1 CCCC(=O)OCCCCCl MCULE-1685252152 [2,0,0,0,0,0|1,0,1]=4 58 B10R0.1 CCCC(=O)OCCCCO MCULE-5551819643 [2,0,0,0,0,0|1,0,1]=4 59 B10R0.1 CCCC(=O)OCCCSC MCULE-9257783110 [2,0,0,0,0,0|1,0,1]=4 60 B10R0.1 CCCCCCC(=O)CCC MCULE-1716736963 [2,0,0,0,0,0|0,0,2]=4 61 B10R0.1 CCCCCNC(=O)CCC MCULE-7374835979 [2,0,0,0,0,0|1,0,1]=4 62 B10R0.1 CCCCCOC(=O)CCC MCULE-8850994391 [2,0,0,0,0,0|0,0,1]=3 63 B10R0.1 CCOCCOC(=O)CCCl MCULE-2438998187 [2,0,0,0,0,0|2,0,0]=4 64 B10R0.74 CC/C=C\CCOC(=O)CC MCULE-2625707486 [2,0,0,0,0,0|0,0,0]=2 65 B10R0.74 CC/C=C\CCOC(=O)OC MCULE-7384996356 [2,0,0,0,0,0|1,0,0]=3 66 B10R0.74 CCC/C=C/COC(=O)CC MCULE-3426297748 [2,0,0,0,0,0|0,0,2]=4 67 B10R0.74 CCC=CCCOC(=O)CC MCULE-1285182737 [2,0,0,0,0,0|0,0,0]=2 68 B10R0.74 CCC=CCCOC(=O)OC MCULE-9789450516 [2,0,0,0,0,0|1,0,0]=3 69 B10R0.74 CCCC=CCOC(=O)CC MCULE-1078471467 [2,0,0,0,0,0|0,0,2]=4 70 B10R0.74 CCCCCCOC(=O)CC MCULE-7750085667 [2,0,0,0,0,0|0,0,2]=4 71 B10R0.91 CCCCCC(=O)CCCC MCULE-4876992287 [2,0,0,0,0,0|0,0,1]=3 72 B10R0.91 CCCCCC(=O)OCCC MCULE-7665514505 [2,0,0,0,0,0|1,0,1]=4 73 B10R0.91 CCCCOC(=O)CCCC MCULE-2693469456 [2,0,0,0,0,0|0,0,0]=2 74 B10R0.91 CCCCOC(=O)CCCN MCULE-3820011759 [2,0,0,0,0,0|1,0,0]=3 75 B10R0.91 CCCCOC(=O)CCCN MCULE-8110705234 [2,0,0,0,0,0|1,0,0]=3 76 B10R0.91 CCCCOC(=O)CCCO MCULE-6438752500 [2,0,0,0,0,0|1,0,0]=3 77 B12R0.5 CC/C=C\CCCCCCCCO MCULE-3025560116 [1,1,0,0,0,0|1,0,1]=4 78 B12R0.5 CCC=CCCCCCCCCO MCULE-1639369196 [1,1,0,0,0,0|1,0,1]=4 79 B12R0.5 CCCCCCCCC=CCCO MCULE-1965044026 [1,1,0,0,0,0|1,0,1]=4 80 B12R0.4 CC/C=C\CCOC(=O)CC(C)C MCULE-7089841925 [1,1,0,0,0,0|0,0,0]=2 81 B12R0.4 CCC=CCCOC(=O)CC(C)C MCULE-8102885378 [1,1,0,0,0,0|0,0,0]=2 82 B12R0.49 C/C=C(\C)/C(=O)OCC/C=C\CC MCULE-2197016143 [1,1,0,0,0,0|0,0,2]=4 83 B12R0.49 CC/C=C\CCOC(=O)C(C)CC MCULE-8210915071 [1,1,0,0,0,0|0,0,0]=2 84 B12R0.49 CC=C(C)C(=O)OCCC=CCC MCULE-6465713409 [1,1,0,0,0,0|0,0,2]=4 85 B12R0.49 CCC=CCCOC(=O)C(C)CC MCULE-4277591722 [1,1,0,0,0,0|0,0,0]=2 86 B12R0.49 CCCCCCOC(=O)C(C)CC MCULE-8057194585 [1,1,0,0,0,0|0,0,2]=4 87 B12R0.49 CCCCCCOC(=O)C(Cl)CC MCULE-7520169766 [1,1,0,0,0,0|0,0,2]=4 88 B12R0.239 CCCCCC(C)OC(=O)CCC MCULE-5985723386 [1,1,0,0,0,0|0,0,2]=4 89 B12R0.285 CCCC(=O)CCCC(=O)OCC MCULE-8740401703 [1,1,0,0,0,0|2,0,0]=4 90 B12R0.103 CCCCC(=O)OC(=O)CCCC MCULE-2570411475 [1,1,0,0,0,0|0,0,2]=4 91 B12R0.111 CCCCC/C=C(\C=O)/CCCC MCULE-7619150531 [1,1,0,0,0,0|1,0,1]=4 92 B12R0.111 CCCCCC=C(C=O)CCCC MCULE-9092365556 [1,1,0,0,0,0|1,0,1]=4 93 B14R0.163 CCCCC(=O)CCCCC(=O)OCC MCULE-2371747046 [0,2,0,0,0,0|1,0,1]=4 94 B14R0.179 CCCCCCCOC(=O)CCCCC MCULE-2442042167 [0,2,0,0,0,0|0,0,2]=4 95 B14R0.138 CCCCCCOC(=O)C(N)CC(C)C MCULE-1114310296 [0,2,0,0,0,0|0,0,2]=4 96 B14R0.138 CCCCCCOC(=O)C(N)CC(C)C MCULE-4283875997 [0,2,0,0,0,0|0,0,2]=4 97 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC MCULE-5103251138 [0,2,0,0,0,0|2,0,0]=4 98 B14R0.2432 CCCCCC(=O)OCCC(S)CCC MCULE-9017508727 [0,2,0,0,0,0|0,0,2]=4 99 B14R0.204 CCCCC(=O)OCC(CC)CCCC MCULE-2449306863 [0,2,0,0,0,0|0,0,2]=4 100 B14R0.145 CCCCCCOC(=O)CCCCCC MCULE-4820101941 [0,2,0,0,0,0|0,0,2]=4 101 B14R0.145 CCCCCCOC(=O)CCCCCN MCULE-1550233169 [0,2,0,0,0,0|0,0,2]=4 102 B14R0.145 CCCCCCOC(=O)CCCCCN MCULE-2400494403 [0,2,0,0,0,0|0,0,2]=4 103 B12R1.8 CCCCN=CC1CC=CCC1 MCULE-9366309391 [1,0,0,1,0,0|2,0,0]=4 104 B12R1.550 C1=CCCCCCCCCCC1 MCULE-7809911769 [1,0,0,1,0,0|1,0,1]=4 105 B12R1.550 C1=CCCCCCCCCCC1 MCULE-9211992042 [1,0,0,1,0,0|1,0,1]=4 106 B12R1.28 CC/C=C\CC1CCCC(=O)O1 MCULE-3393454158 [1,0,0,1,0,0|0,0,0]=2 107 B12R1.28 CCC=CCC1CCCC(=O)O1 MCULE-9639028527 [1,0,0,1,0,0|0,0,0]=2 108 B12R1.28 CCCCCC1CCCC(=O)O1 MCULE-2527242599 [1,0,0,1,0,0|0,0,2]=4 109 B12R1.32 CCCC(=O)OC1CCCCC1 MCULE-9637902009 [1,0,0,1,0,0|0,0,2]=4 110 B12R1.51 CCCC(=O)OCC1CCCO1 MCULE-7195383644 [1,0,0,1,0,0|1,0,1]=4 111 B12R1.30 CCCCC(=O)N1CCNCC1 MCULE-1192263869 [1,0,0,1,0,0|2,0,0]=4 112 B12R1.30 CCCCC(=O)N1CCOCC1 MCULE-5393106532 [1,0,0,1,0,0|2,0,0]=4 113 B12R1.53 NCCCC(=O)OC1CCCC1 MCULE-3366176678 [1,0,0,1,0,0|1,0,1]=4 114 B12R1.53 NCCCC(=O)OC1CCCC1 MCULE-6516840027 [1,0,0,1,0,0|1,0,1]=4 115 B12R1.567 CC/C=C/CC1=C(CCC1=O)C MCULE-1952094862 [1,0,0,1,0,0|0,0,2]=4 116 B12R1.567 CC/C=C\CC1=C(CCC1=O)C MCULE-2459463798 [1,0,0,1,0,0|0,0,2]=4 117 B12R1.567 CCC=CCC1=C(CCC1=O)C MCULE-8490201471 [1,0,0,1,0,0|0,0,2]=4 118 B12R1.1007 O=C1CCCCC(=O)OCCO1 MCULE-2873980195 [1,0,0,1,0,0|2,0,0]=4 119 B14R1.4408 O=C1CCCCCCCCCCCO1 MCULE-9380541113 [0,1,0,1,0,0|0,0,2]=4 120 B14R1.598 CCOC(=O)CCC1CCCCC1=O MCULE-9517495940 [0,1,0,1,0,0|2,0,0]=4 121 B14R1.7174 CCOC(=O)CCCC(=O)C1CCC1 MCULE-7780784166 [0,1,0,1,0,0|2,0,0]=4 122 B14R1.7341 CCOC(=O)CC1CCCCC(=O)N1 MCULE-1312342851 [0,1,0,1,0,0|2,0,0]=4 123 B14R1.158 CCCCCC(=O)OC1CCCCC1 MCULE-8231522540 [0,1,0,1,0,0|0,0,2]=4 124 B14R2.9589 O=C(OC1CCCNC1)C2CCC2 MCULE-1714427847 [0,0,0,2,0,0|1,0,1]=4 125 B14R2.9589 O=C(OC1CCCNC1)C2CCC2 MCULE-8313018201 [0,0,0,2,0,0|1,0,1]=4 126 B14R2.9589 O=C(OC1CCNCC1)C2CCC2 MCULE-1195256522 [0,0,0,2,0,0|1,0,1]=4 127 B14R2.9589 O=C(OC1CCNCC1)C2CCC2 MCULE-5226815891 [0,0,0,2,0,0|1,0,1]=4 128 B14R2.40225 O=C(OCC1CCNC1)C2CCC2 MCULE-1718565178 [0,0,0,2,0,0|1,0,1]=4 129 B14R2.40225 O=C(OCC1CCNC1)C2CCC2 MCULE-9677464683 [0,0,0,2,0,0|1,0,1]=4