0 B13R1.1022 NC(=O)NN=C1CCCCCCC1 MCULE-9052764328 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.1022 NC(=S)NN=C1CCCCCCC1 MCULE-6335414258 [0,0,0,0,0,0|3,0,1]=4 2 B12R0.234 CC(=O)NCCCCNCCCN MCULE-7493998252 [0,0,1,0,0,0|3,0,0]=4 3 B12R0.234 CC(=O)NCCCCNCCCN MCULE-9577502089 [0,0,1,0,0,0|3,0,0]=4 4 B12R0.234 CC(=O)NCCCNCCCCN MCULE-3303778613 [0,0,1,0,0,0|3,0,0]=4 5 B12R0.234 CC(=O)NCCCNCCCCN MCULE-8365270729 [0,0,1,0,0,0|3,0,0]=4 6 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [0,0,1,0,0,0|3,0,0]=4 7 B12R0.234 CCCCCCCCCSC(=N)N MCULE-2574065227 [0,0,1,0,0,0|2,0,0]=3 8 B12R0.234 CCCCCCCCCSC(=N)N MCULE-7175152082 [0,0,1,0,0,0|2,0,0]=3 9 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [0,0,1,0,0,0|3,0,0]=4 10 B12R0.255 CCCCOCC(S)CNC(=O)N MCULE-2533024157 [0,0,1,0,0,0|3,0,0]=4 11 B12R1.1343 CC(=O)CCC1CCCCCC1 MCULE-1678869086 [0,0,0,0,1,0|3,0,0]=4 12 B12R1.1343 NC(=O)NN=C1CCCCCC1 MCULE-6188857659 [0,0,0,0,1,0|2,0,1]=4 13 B12R1.1343 NC(=S)NN=C1CCCCCC1 MCULE-6006057024 [0,0,0,0,1,0|2,0,1]=4 14 B12R1.1343 O=C(O)CCC1CCCCCC1 MCULE-3221739644 [0,0,0,0,1,0|3,0,0]=4 15 B12R1.1392 C=C(C)CC1CCCCCCC1 MCULE-8129802280 [0,0,0,0,1,0|3,0,0]=4 16 B12R1.1392 NC(=O)NC1CCCCCCC1 MCULE-8088379075 [0,0,0,0,1,0|2,0,0]=3 17 B14R1.1454 N=C(N)NCCN1CCCCCCC1 MCULE-1014284503 [0,0,0,0,0,1|2,0,0]=3 18 B14R1.1454 N=C(N)NCCN1CCCCCCC1 MCULE-5786311032 [0,0,0,0,0,1|2,0,0]=3 19 B14R1.1454 N=C(N)NCCN1CCCCCCC1 MCULE-6728556467 [0,0,0,0,0,1|2,0,0]=3 20 B11R0.164 CCCCC(CC)COC(=O)N MCULE-4155606181 [1,0,1,0,0,0|2,0,0]=4 21 B11R0.280 CCCN(CCC)CCC(=N)N MCULE-4240781921 [1,0,1,0,0,0|2,0,0]=4 22 B11R0.280 CCCN(CCC)CCC(=N)N MCULE-4730203399 [1,0,1,0,0,0|2,0,0]=4 23 B11R0.3 C=CCCCCCCCCCN MCULE-7839357621 [1,0,1,0,0,0|2,0,0]=4 24 B11R0.3 NCCCCCCCCCCN MCULE-8635244158 [1,0,1,0,0,0|1,0,1]=4 25 B11R0.148 CCCCCCCCCC(=N)N MCULE-6113298447 [1,0,1,0,0,0|1,0,0]=3 26 B11R0.148 CCCCCCCCCC(=N)N MCULE-7599360964 [1,0,1,0,0,0|1,0,0]=3 27 B11R0.148 CCCCCCCCCC(=O)N MCULE-1159230758 [1,0,1,0,0,0|2,0,0]=4 28 B11R0.148 CCCCCCCCN=C(N)N MCULE-8281267777 [1,0,1,0,0,0|0,0,2]=4 29 B11R0.148 CCCCCCCCN=C(N)N MCULE-9658902055 [1,0,1,0,0,0|0,0,2]=4 30 B11R0.148 CCCCCCCCNC(=O)N MCULE-1005292011 [1,0,1,0,0,0|1,0,0]=3 31 B11R0.148 CCCCCCCCNC(=S)N MCULE-3981792857 [1,0,1,0,0,0|1,0,0]=3 32 B11R0.148 N=C(N)NCCCCCCCN MCULE-1860175405 [1,0,1,0,0,0|0,0,0]=2 33 B11R0.148 N=C(N)NCCCCCCCN MCULE-8627758688 [1,0,1,0,0,0|0,0,0]=2 34 B11R0.148 NC(=O)CCCCCCCCCl MCULE-4533445908 [1,0,1,0,0,0|2,0,0]=4 35 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.117 C=CCC1CCCCCCC1 MCULE-5863038923 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.117 CNCC1CCCCCCC1 MCULE-3882363434 [2,0,0,0,0,0|1,0,1]=4 38 B11R1.117 NCCC1CCCCCCC1 MCULE-5038195827 [2,0,0,0,0,0|1,0,1]=4 39 B11R1.117 NCCC1CCCCCCC1 MCULE-9743664308 [2,0,0,0,0,0|1,0,1]=4 40 B13R0.54 CCCCCCCCCCCC(=N)N MCULE-2355708247 [0,1,1,0,0,0|2,0,0]=4 41 B13R0.54 CCCCCCCCCCNC(=O)N MCULE-8422314743 [0,1,1,0,0,0|2,0,0]=4 42 B13R0.54 CCCCCCCCCCNC(=S)N MCULE-1226316897 [0,1,1,0,0,0|2,0,0]=4 43 B13R0.147 CCCCCCCCCCC(=N)NO MCULE-8351830126 [0,1,1,0,0,0|2,0,0]=4 44 B13R0.147 NCCCCCCCCNC(=O)CBr MCULE-3488452736 [0,1,1,0,0,0|2,0,0]=4 45 B13R0.179 N=C(N)NCCCCCCN=C(N)N MCULE-2205046994 [0,1,1,0,0,0|1,0,1]=4 46 B13R1.1711 N/C(=N/O)/CCN1CCCCCC1 MCULE-9472504349 [0,1,0,0,1,0|2,0,0]=4 47 B13R1.1711 N=C(CCN1CCCCCC1)NO MCULE-9699269373 [0,1,0,0,1,0|2,0,0]=4 48 B13R1.7456 N=C(N)NC(=N)N1CCCCCC1 MCULE-4407350195 [0,1,0,0,1,0|1,0,1]=4 49 B13R1.380 CCNC1CCCCC1NC(=O)C MCULE-2777817007 [0,0,1,1,0,0|2,0,0]=4 50 B13R1.2430 CCC1CN(C(CN1)CC)C(=O)C MCULE-1636605458 [0,0,1,1,0,0|2,0,0]=4 51 B13R1.2430 CCC1CN(C(CN1)CC)C(=O)C MCULE-8191290900 [0,0,1,1,0,0|2,0,0]=4 52 B13R2.13132 O=C1CC2(CCCCCC2)CN1 MCULE-1694313799 [0,0,0,1,1,0|2,0,0]=4 53 B13R2.13132 S=C1CC2(CCCCCC2)CN1 MCULE-1450297417 [0,0,0,1,1,0|2,0,0]=4 54 B13R2.4776 O=C1CC2(N1)CCCCCCC2 MCULE-9060961345 [0,0,0,1,1,0|2,0,0]=4 55 B15R2.68711 [C@H]12CCN([C@@H]1CCCCCN2)C(=O)C MCULE-1967986463 [0,0,0,1,0,1|2,0,0]=4 56 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-6987665804 [0,0,1,0,1,0|2,0,0]=4 57 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-8299240038 [0,0,1,0,1,0|2,0,0]=4 58 B11R1.203 O=CCCC1CCCCCC1 MCULE-5898493972 [1,0,0,0,1,0|2,0,0]=4 59 B11R1.91 CC(=O)NCC1CCCCN1 MCULE-3105845304 [0,0,0,0,2,0|2,0,0]=4 60 B11R1.91 CC(=O)NCC1CCCCN1 MCULE-9646759433 [0,0,0,0,2,0|2,0,0]=4 61 B11R1.91 N=C(N)CCN1CCCCC1 MCULE-4187671201 [0,0,0,0,2,0|2,0,0]=4 62 B11R1.91 N=C(N)CCN1CCCCC1 MCULE-6812707919 [0,0,0,0,2,0|2,0,0]=4 63 B11R1.91 N=C(N)CCN1CCCCC1 MCULE-8802863643 [0,0,0,0,2,0|2,0,0]=4 64 B11R1.91 N=C(N)NCC1CCCCC1 MCULE-5333495230 [0,0,0,0,2,0|0,0,0]=2 65 B11R1.91 N=C(N)NCC1CCCCC1 MCULE-6218164374 [0,0,0,0,2,0|0,0,0]=2 66 B11R1.91 N=C(N)NCC1CCOCC1 MCULE-2530902636 [0,0,0,0,2,0|1,0,0]=3 67 B11R1.91 N=C(N)NCC1CCOCC1 MCULE-3821702052 [0,0,0,0,2,0|1,0,0]=3 68 B11R1.91 N=C(N)SCC1CCCCC1 MCULE-3283728567 [0,0,0,0,2,0|1,0,0]=3 69 B11R1.91 N=C(N)SCC1CCCCC1 MCULE-5965577672 [0,0,0,0,2,0|1,0,0]=3 70 B11R1.91 NC(=O)CCC1CCCCC1 MCULE-7177254920 [0,0,0,0,2,0|2,0,0]=4 71 B11R1.91 NC(=O)NCC1CCCCC1 MCULE-8898827465 [0,0,0,0,2,0|1,0,0]=3 72 B11R1.91 NC(=O)NCC1CCCCN1 MCULE-4059522603 [0,0,0,0,2,0|1,0,0]=3 73 B11R1.91 NC(=O)NCC1CCCCN1 MCULE-8786655844 [0,0,0,0,2,0|1,0,0]=3 74 B11R1.91 NC(=O)NCC1CCCNC1 MCULE-6134280325 [0,0,0,0,2,0|2,0,0]=4 75 B11R1.91 NC(=S)NCC1CCCCC1 MCULE-6421127685 [0,0,0,0,2,0|1,0,0]=3 76 B11R1.742 C=C(C)CC1CCCCCC1 MCULE-6590200380 [0,0,0,0,2,0|2,0,0]=4 77 B11R1.742 CC(=O)CC1CCCCCN1 MCULE-2355996760 [0,0,0,0,2,0|2,0,0]=4 78 B11R1.742 CC(=O)NC1CCCCCC1 MCULE-3697459369 [0,0,0,0,2,0|2,0,0]=4 79 B11R1.742 N=C(N)CN1CCCCCC1 MCULE-4265756441 [0,0,0,0,2,0|1,0,0]=3 80 B11R1.742 N=C(N)CN1CCCCCC1 MCULE-8129093841 [0,0,0,0,2,0|1,0,0]=3 81 B11R1.742 N=C(N)NC1CCCCCC1 MCULE-1664678210 [0,0,0,0,2,0|0,0,0]=2 82 B11R1.742 N=C(N)NC1CCCCCC1 MCULE-4607928506 [0,0,0,0,2,0|0,0,0]=2 83 B11R1.742 NC(=O)CN1CCCCCC1 MCULE-5945622165 [0,0,0,0,2,0|2,0,0]=4 84 B11R1.742 NC(=O)NC1CCCCCC1 MCULE-7737326688 [0,0,0,0,2,0|1,0,0]=3 85 B11R1.742 NC(=S)NC1CCCCCC1 MCULE-1359160421 [0,0,0,0,2,0|1,0,0]=3 86 B11R1.742 O=C(O)CC1CCCCCC1 MCULE-3247091796 [0,0,0,0,2,0|2,0,0]=4 87 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2852082428 [0,0,0,0,2,0|2,0,0]=4 88 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2931630393 [0,0,0,0,2,0|2,0,0]=4