0 B17R2.464799 CN(C)NC=C1C(=O)N(C2=C1C=CC=C2)C MCULE-8903580318 [0,0,0,0,0,0|4,0,0]=4 1 B17R2.464799 CN1C(=O)C(=NN=C(N)N)C2=C1C=CC=C2 MCULE-8592494759 [0,0,0,0,0,0|1,0,1]=2 2 B17R2.464799 CN1C(=O)C(=NNC(=O)N)C2=C1C=CC=C2 MCULE-1617557089 [0,0,0,0,0,0|0,1,0]=1 3 B17R2.464799 CN1C(=O)C(=NNC(=S)N)C2=C1C=CC=C2 MCULE-5335782926 [0,0,0,0,0,0|0,0,0]=0 4 B17R2.464799 [NH+](=C(N)N)N=C1C(=O)N(C2=C1C=CC=C2)C MCULE-6636272239 [0,0,0,0,0,0|1,0,1]=2 5 B16R2.4003 CC(=O)N/N=C/1\C(=O)NC2=C1C=CC=C2 MCULE-5002842208 [1,0,0,0,0,0|1,1,0]=3 6 B16R2.4003 NC(=N/N=C/1\C(=O)NC2=CC=CC=C12)N MCULE-8030293047 [1,0,0,0,0,0|1,0,1]=3 7 B16R2.4003 NC(=N/N=C/1\C(=O)NC2=CC=CC=C12)N MCULE-8477884975 [1,0,0,0,0,0|1,0,1]=3 8 B16R2.4003 NC(=NN=C1C(=O)SC2=C1C=CC=C2)N MCULE-5884147725 [1,0,0,0,0,0|2,0,1]=4 9 B16R2.4003 NC(=O)N/N=C/1\C(=O)NC2=CC=CC=C12 MCULE-5648757054 [1,0,0,0,0,0|0,1,0]=2 10 B16R2.4003 NC(=S)N/N=C/1\C(=O)NC2=C1C=CC=C2 MCULE-6620092921 [1,0,0,0,0,0|0,0,0]=1 11 B16R2.4003 NC(=S)NN=C1C(=O)SC2=C1C=CC=C2 MCULE-5497637850 [1,0,0,0,0,0|1,0,0]=2 12 B16R2.104522 CN1C=C(C2=C1C=CC=C2)SCC(=O)N MCULE-3627246897 [1,0,0,0,0,0|2,1,0]=4 13 B16R2.104522 NC(=S)N/N=C/1\N=C(C2=CC=CC=C12)N MCULE-8344015122 [1,0,0,0,0,0|3,0,0]=4 14 B16R2.104522 NC(=S)NN=C1CC(=O)C2=C1C=CC=C2 MCULE-9453272668 [1,0,0,0,0,0|2,0,1]=4 15 B18R2.282765 CC1(C(=O)C(=NNC(=S)N)C2=CC=CC=C12)C MCULE-1302496724 [0,1,0,0,0,0|1,0,0]=2 16 B18R2.508381 CC1=CC2=C(C=C1)N(C(=O)C2=NNC(=O)N)C MCULE-4126775937 [0,1,0,0,0,0|0,1,0]=2 17 B18R2.508381 CC1=CC2=C(C=C1)N(C(=O)C2=NNC(=S)N)C MCULE-5646393786 [0,1,0,0,0,0|0,0,0]=1 18 B18R2.508381 CC1=CC=C2C(=C1)C(=NNC(=N)N)C(=O)N2C MCULE-2282488660 [0,1,0,0,0,0|1,0,0]=2 19 B18R2.508381 CN1C(=O)C(=NNC(=O)N)C2=C1C=CC(=C2)Br MCULE-2832798724 [0,1,0,0,0,0|0,1,0]=2 20 B18R2.508381 CN1C(=O)C(=NNC(=S)N)C2=C1C=CC(=C2)Br MCULE-9222935468 [0,1,0,0,0,0|0,0,0]=1 21 B18R2.1214149 CC1=CC=CC2=C1N(C(=O)C2=NNC(=S)N)C MCULE-6993020195 [0,1,0,0,0,0|0,0,0]=1 22 B18R2.2313826 CN(N=C1C(=O)N(C2=CC=CC=C12)C)C(=O)N MCULE-5628515145 [0,1,0,0,0,0|0,1,0]=2 23 B18R2.2433392 CN1C(=O)C(=NNC(=N)NO)C2=C1C=CC=C2 MCULE-2840258186 [0,1,0,0,0,0|1,0,0]=2 24 B18R2.2433392 CN1C(=O)C(=NNC(=N)NO)C2=C1C=CC=C2 MCULE-9962841863 [0,1,0,0,0,0|1,0,0]=2 25 B16R2.44951 CC(=O)C=C1C(=O)N(C2=CC=CC=C12)C MCULE-8013713200 [0,0,0,0,1,0|2,1,0]=4 26 B16R2.44951 CC(=O)NC1C(=O)N(C2=CC=CC=C12)C MCULE-5561782492 [0,0,0,0,1,0|1,1,1]=4 27 B16R2.44951 CN1C(=O)N(C2=CC=CC=C12)CC(=O)N MCULE-6585674667 [0,0,0,0,1,0|2,1,0]=4 28 B18R2.2313821 CC1=C(C2=CC=CC=C2N1C)C=NNC(=S)N MCULE-5866620155 [0,0,0,0,0,1|1,0,0]=2 29 B15R1.1081 CC(=CC1=CC=CC=C1)C=NNC(=S)N MCULE-2227414203 [1,0,1,0,0,0|2,0,0]=4 30 B15R1.1081 NC(=S)NN=CC(=O)NC1=CC=CC=C1 MCULE-1375206093 [1,0,1,0,0,0|0,0,0]=2 31 B15R1.8882 NC(=S)NN=CC1=C(C=CC=C1)[N+](=O)[O-] MCULE-3698325963 [1,0,1,0,0,0|1,0,1]=4 32 B15R1.8882 NC(=S)NN=CC1=CC=CC=C1C(=O)O MCULE-7435458748 [1,0,1,0,0,0|2,0,0]=4 33 B15R1.86 COC1=CC=CC=C1C(=O)NNC(=S)N MCULE-2349448382 [1,0,1,0,0,0|1,0,1]=4 34 B15R1.1299 CCCC(=NNC(=S)N)C1=CC=CC=C1 MCULE-7263331232 [1,0,1,0,0,0|1,0,1]=4 35 B15R1.12293 CC(=O)NN=C(C(=O)C)C1=CC=CC=C1 MCULE-2227817425 [1,0,1,0,0,0|1,1,0]=4 36 B15R1.12293 CC(C)C(=NNC(=S)N)C1=CC=CC=C1 MCULE-5682353300 [1,0,1,0,0,0|1,0,1]=4 37 B15R1.12293 NC(=S)NN=C(C(=O)O)C1=CC=CC=C1 MCULE-2733229262 [1,0,1,0,0,0|1,0,0]=3 38 B15R2.6 NC(=S)NN=C1CCC2=CC=CC=C12 MCULE-8263322297 [2,0,0,0,0,0|1,0,1]=4 39 B15R2.10698 CON=C1C(=O)N(C2=CC=CC=C12)C MCULE-7066129604 [2,0,0,0,0,0|1,0,1]=4 40 B17R1.6574 CNC1=C(C=CC=C1)C(=NNC(=O)N)C(=O)[O-] MCULE-2942857968 [0,1,1,0,0,0|0,1,0]=3 41 B17R1.6574 CNC1=C(C=CC=C1)C(=NNC(=O)N)C(=O)[O-] MCULE-4931144784 [0,1,1,0,0,0|0,1,0]=3 42 B17R2.61029 CNC(=S)N/N=C\1/C(=O)NC2=C1C=CC=C2 MCULE-1601252023 [1,1,0,0,0,0|0,0,0]=2 43 B17R2.61029 COC(=O)N/N=C\1/C(=O)NC2=C1C=CC=C2 MCULE-9244343876 [1,1,0,0,0,0|1,1,0]=4 44 B17R2.61029 NNC(=S)N/N=C\1/C(=O)NC2=C1C=CC=C2 MCULE-5030929779 [1,1,0,0,0,0|0,0,0]=2 45 B17R2.150937 CC(=O)N/N=C/1\C(=O)NC2=C1C=C(C=C2)F MCULE-3306247441 [1,1,0,0,0,0|1,1,0]=4 46 B17R2.150937 CC1=CC=C2NC(=O)/C(=N/NC(=N)N)/C2=C1 MCULE-2743927901 [1,1,0,0,0,0|1,0,0]=3 47 B17R2.150937 CC1=CC\2=C(C=C1)NC(=O)/C2=N\NC(=O)N MCULE-1024652447 [1,1,0,0,0,0|0,1,0]=3 48 B17R2.150937 CC1=CC\2=C(C=C1)NC(=O)/C2=N\NC(=S)N MCULE-7063657725 [1,1,0,0,0,0|0,0,0]=2 49 B17R2.150937 NC(=N/N=C\1/C(=O)NC2=C1C=C(C=C2)F)N MCULE-8190337486 [1,1,0,0,0,0|1,0,1]=4 50 B17R2.150937 NC(=O)N/N=C/1\C(=O)NC2=C1C=C(C=C2)Br MCULE-5484012073 [1,1,0,0,0,0|0,1,0]=3 51 B17R2.150937 NC(=O)N/N=C/1\C(=O)NC2=C1C=C(C=C2)I MCULE-7141209020 [1,1,0,0,0,0|0,1,0]=3 52 B17R2.150937 NC(=O)N/N=C\1/C(=O)NC2=C1C=C(C=C2)F MCULE-9041140542 [1,1,0,0,0,0|0,1,0]=3 53 B17R2.150937 NC(=S)N/N=C/1\C(=O)NC2=C1C=C(C=C2)F MCULE-4470720610 [1,1,0,0,0,0|0,0,0]=2 54 B17R2.150937 NC(=S)N/N=C/1\C(=O)NC2=CC=C(C=C12)Br MCULE-8675647661 [1,1,0,0,0,0|0,0,0]=2 55 B17R2.253371 CC1=CC=CC\2=C1NC(=O)/C2=N\NC(=O)N MCULE-9183045804 [1,1,0,0,0,0|0,1,0]=3 56 B19R2.1546292 COC1=CC2=C(C=C1)N(C(=O)C2=NNC(=S)N)C MCULE-9537427609 [0,2,0,0,0,0|0,0,0]=2 57 B19R2.1546292 COC1=CC=C2C(=C1)C(=NNC(=N)N)C(=O)N2C MCULE-1499960188 [0,2,0,0,0,0|1,0,0]=3 58 B19R2.4156003 CC1=CC=C2C(=C1)C(=NNC(=S)N)C(=O)N2CO MCULE-4596806389 [0,2,0,0,0,0|0,0,0]=2 59 B19R2.5589714 CC1=CC(=CC2=C1N(C(=O)C2=NNC(=O)N)C)Br MCULE-6650091513 [0,2,0,0,0,0|0,1,0]=3 60 B19R2.5589714 CC1=CC(=CC2=C1N(C(=O)C2=NNC(=S)N)C)Br MCULE-4650899173 [0,2,0,0,0,0|0,0,0]=2 61 B19R2.5589714 CC1=CC(=CC2=C1N(C(=O)C2=NNC(=S)N)C)Cl MCULE-7566097951 [0,2,0,0,0,0|0,0,0]=2 62 B19R2.5589714 CC1=CC2=C(C(=C1)Br)N(C(=O)C2=NNC(=O)N)C MCULE-9891074987 [0,2,0,0,0,0|0,1,0]=3 63 B19R2.5589714 CC1=CC2=C(C(=C1)Br)N(C(=O)C2=NNC(=S)N)C MCULE-3102628972 [0,2,0,0,0,0|0,0,0]=2 64 B19R2.5589714 CN1C(=O)C(=NNC(=O)N)C2=C1C(=CC(=C2)Br)Br MCULE-7238111624 [0,2,0,0,0,0|0,1,0]=3 65 B19R2.1724489 CNC(=S)N(C)N=C1C(=O)N(C2=C1C=CC=C2)C MCULE-7442029407 [0,2,0,0,0,0|0,0,0]=2 66 B19R2.1699450 CCOC(=O)NN=C1C(=O)N(C2=C1C=CC=C2)C MCULE-8112153694 [0,2,0,0,0,0|1,1,0]=4 67 B19R2.1699450 CN1C(=O)/C(=N/NC(=O)CC#N)/C2=C1C=CC=C2 MCULE-2165970937 [0,2,0,0,0,0|0,1,1]=4 68 B19R2.1699450 CN1C(=O)C(=NNC(=O)CC#N)C2=C1C=CC=C2 MCULE-7182024971 [0,2,0,0,0,0|0,1,1]=4 69 B19R2.500755 CC(=O)N1C(=O)C(=NNC(=S)N)C2=CC=CC=C12 MCULE-9400317503 [0,2,0,0,0,0|0,0,0]=2 70 B19R2.500755 CC(C)N1C(=O)C(=NNC(=S)N)C2=C1C=CC=C2 MCULE-4599128735 [0,2,0,0,0,0|0,0,0]=2 71 B19R2.686550 C=CCN1C(=O)C(=NNC(=N)N)C2=CC=CC=C12 MCULE-1217314388 [0,2,0,0,0,0|1,0,0]=3 72 B19R2.686550 C=CCN1C(=O)C(=NNC(=O)N)C2=CC=CC=C12 MCULE-3692297372 [0,2,0,0,0,0|0,1,0]=3 73 B19R2.686550 C=CCN1C(=O)C(=NNC(=S)N)C2=CC=CC=C12 MCULE-3965604752 [0,2,0,0,0,0|0,0,0]=2 74 B19R2.686550 CCCN1C(=O)C(=NNC(=O)N)C2=CC=CC=C12 MCULE-3162303650 [0,2,0,0,0,0|0,1,0]=3 75 B19R2.686550 CCCN1C(=O)C(=NNC(=S)N)C2=C1C=CC=C2 MCULE-8261883707 [0,2,0,0,0,0|0,0,0]=2 76 B19R2.686550 NC(=O)NN=C1C(=O)N(C2=CC=CC=C12)CCCl MCULE-4094525330 [0,2,0,0,0,0|0,1,0]=3 77 B19R2.686550 NC(=S)NN=C1C(=O)N(C2=C1C=CC=C2)CCCl MCULE-3639212183 [0,2,0,0,0,0|0,0,0]=2 78 B17R2.4043 CC1=C(SC2=C1C=CC=C2)C=NNC(=S)N MCULE-6241710335 [0,0,1,1,0,0|1,1,0]=4 79 B15R1.3197 CCC(=O)N(NC(=S)N)C1=CC=CC=C1 MCULE-4135955909 [0,0,1,0,1,0|2,0,0]=4 80 B15R2.53147 CN1C=C(C2=CC=CC=C12)CC(=O)N MCULE-1090608814 [1,0,0,0,1,0|1,1,0]=4 81 B15R2.24965 CC1=C(C2=C(N1C)C=CC=C2)C(=N)N MCULE-3330182924 [0,0,0,0,2,0|2,0,0]=4 82 B15R2.24965 CC1=C(C2=C(N1C)C=CC=C2)C(=O)N MCULE-9645627274 [0,0,0,0,2,0|1,1,0]=4 83 B17R2.5025 CC1=C(C2=C(N1)C=CC=C2)/C=N/NC(=S)N MCULE-4288283509 [1,0,0,0,0,1|1,0,0]=3 84 B17R2.5025 CC1=C(C2=C(N1)C=CC=C2)C=NNC(=O)N MCULE-5211851006 [1,0,0,0,0,1|1,1,0]=4 85 B17R2.5025 CC1=C(C2=C(N1)C=CC=C2)C=NNC(=S)N MCULE-5443591637 [1,0,0,0,0,1|1,0,0]=3 86 B17R2.5025 NC(=O)CNC=C1C(=O)NC2=C1C=CC=C2 MCULE-3891723129 [1,0,0,0,0,1|1,1,0]=4 87 B17R2.78537 CC(=S)NN=CC1=CN(C2=CC=CC=C12)C MCULE-6923286661 [1,0,0,0,0,1|1,0,0]=3 88 B17R2.78537 CN1C=C(C2=C1C=CC=C2)C=NNC(=O)N MCULE-1538840726 [1,0,0,0,0,1|0,1,0]=3 89 B17R2.78537 CN1C=C(C2=C1C=CC=C2)C=NNC(=S)N MCULE-5499448857 [1,0,0,0,0,1|0,0,0]=2