0 B17R2.57002 CC1=CC=C(C=C1)N/N=C/2\C(=N)NN=C2N MCULE-5038191200 [0,0,0,0,0,0|1,0,2]=3 1 B17R2.57002 CC1=CC=C(C=C1)N/N=C/2\C(=O)NN=C2C MCULE-3934222272 [0,0,0,0,0,0|3,0,1]=4 2 B17R2.57002 CC1=CC=C(C=C1)N=NC2=C(NN=C2C)O MCULE-2271435415 [0,0,0,0,0,0|3,0,0]=3 3 B17R2.57002 CC1=CC=C(C=C1)N=NC2=C(NN=C2N)N MCULE-4274957621 [0,0,0,0,0,0|1,0,0]=1 4 B17R2.57002 CC1=CC=C(C=C1)N=NC2=C(ON=C2C)C MCULE-7567066519 [0,0,0,0,0,0|4,0,0]=4 5 B17R2.57002 CC1=CC=C(C=C1)NN=C2C(=N)ON=C2N MCULE-1723360534 [0,0,0,0,0,0|2,0,2]=4 6 B17R2.57002 CC\1=NNC(=O)/C1=N/NC2=CC=C(C=C2)Br MCULE-8019276898 [0,0,0,0,0,0|3,0,1]=4 7 B17R2.57002 CC\1=NNC(=O)/C1=N\NC2=CC=C(C=C2)Cl MCULE-8112298391 [0,0,0,0,0,0|3,0,1]=4 8 B17R2.57002 CC\1=NNC(=O)/C1=N\NC2=CC=C(C=C2)F MCULE-3124610830 [0,0,0,0,0,0|3,0,1]=4 9 B17R2.57002 CC\1=NNC(=O)/C1=N\NC2=CC=C(C=C2)I MCULE-6873464865 [0,0,0,0,0,0|3,0,1]=4 10 B17R2.57002 N=C\1NN=C(/C1=N/NC2=CC=C(C=C2)Cl)N MCULE-1023768905 [0,0,0,0,0,0|1,0,2]=3 11 B17R2.57002 N=C\1NN=C(/C1=N\NC2=CC=C(C=C2)F)N MCULE-5463313807 [0,0,0,0,0,0|1,0,2]=3 12 B17R2.57002 NC1=NNC(=C1/N=N/C2=CC=C(C=C2)O)N MCULE-8139432854 [0,0,0,0,0,0|0,0,0]=0 13 B17R2.57002 NC1=NNC(=C1N=NC2=CC=C(C=C2)O)N MCULE-1335538806 [0,0,0,0,0,0|0,0,0]=0 14 B17R2.57002 NC\1=NNC(=O)/C1=N/NC2=CC=C(C=C2)Br MCULE-7747240790 [0,0,0,0,0,0|2,0,1]=3 15 B17R2.57002 NC\1=NNC(=O)/C1=N/NC2=CC=C(C=C2)O MCULE-5224863441 [0,0,0,0,0,0|1,0,1]=2 16 B16R2.1067 CC1=NNC=C1N=CC2=CC=C(C=C2)Cl MCULE-6927897861 [1,0,0,0,0,0|3,0,0]=4 17 B16R2.1067 NC1=NNC=C1N=NC2=CC=C(C=C2)Cl MCULE-8620341533 [1,0,0,0,0,0|1,0,0]=2 18 B16R2.1067 NC1=NON=C1N=NC2=CC=C(C=C2)O MCULE-9054459459 [1,0,0,0,0,0|2,0,0]=3 19 B16R2.2948 CC1=NNC(=C1N=NC2=CC=CC=C2)C MCULE-9079505701 [1,0,0,0,0,0|2,0,0]=3 20 B16R2.2948 CC\1=NNC(=O)/C1=N\NC2=CC=CC=C2 MCULE-7675451604 [1,0,0,0,0,0|2,0,1]=4 21 B16R2.2948 N=C\1NN=C(/C1=N\NC2=CC=CC=C2)N MCULE-5042541738 [1,0,0,0,0,0|0,0,2]=3 22 B16R2.2948 NC1=C(C(=NN1)O)N=NC2=CC=CC=C2 MCULE-4475167427 [1,0,0,0,0,0|1,0,0]=2 23 B16R2.2948 NC1=NNC(=C1N=NC2=CC=CC=C2)N MCULE-1313779111 [1,0,0,0,0,0|0,0,0]=1 24 B16R2.2948 NC1=NOC(=C1/N=N/C2=CC=CC=C2)N MCULE-5729910413 [1,0,0,0,0,0|1,0,0]=2 25 B16R2.2948 NC1=NOC(=C1N=NC2=CC=CC=C2)N MCULE-7121250318 [1,0,0,0,0,0|1,0,0]=2 26 B18R2.35783 CCC1=CC=C(C=C1)N=NC2=C(NN=C2N)N MCULE-4882494019 [0,1,0,0,0,0|1,0,0]=2 27 B18R2.35783 COC1=CC=C(C=C1)/N=N/C2=C(NN=C2N)N MCULE-1572601316 [0,1,0,0,0,0|0,0,0]=1 28 B18R2.35783 COC1=CC=C(C=C1)/N=N/C2=C(ON=C2N)N MCULE-1018626240 [0,1,0,0,0,0|1,0,0]=2 29 B18R2.35783 COC1=CC=C(C=C1)N/N=C/2\C(=N)NN=C2N MCULE-1603552635 [0,1,0,0,0,0|0,0,2]=3 30 B18R2.35783 COC1=CC=C(C=C1)N/N=C/2\C(=O)NN=C2C MCULE-9679898784 [0,1,0,0,0,0|2,0,1]=4 31 B18R2.35783 COC1=CC=C(C=C1)N=NC2=C(NN=C2N)N MCULE-8905482086 [0,1,0,0,0,0|0,0,0]=1 32 B18R2.35783 COC1=CC=C(C=C1)N=NC2=C(ON=C2C)C MCULE-8158836865 [0,1,0,0,0,0|3,0,0]=4 33 B18R2.35783 COC1=CC=C(C=C1)N=NC2=C(ON=C2N)N MCULE-6302118598 [0,1,0,0,0,0|1,0,0]=2 34 B18R2.93340 CC1=C(C=C(C=C1)N=NC2=C(NN=C2N)N)Cl MCULE-7042717733 [0,1,0,0,0,0|1,0,0]=2 35 B18R2.93340 CC1=CC=C(C=C1C)N/N=C/2\C(=O)NN=C2N MCULE-1247489174 [0,1,0,0,0,0|2,0,1]=4 36 B18R2.94068 CC1=CC=C(C=C1)N=NC2=C(N(N=C2C)C)O MCULE-5583593569 [0,1,0,0,0,0|3,0,0]=4 37 B18R2.94068 CC1=NN(C(=C1N=NC2=CC=C(C=C2)Br)O)C MCULE-4045477948 [0,1,0,0,0,0|3,0,0]=4 38 B18R2.94068 CC1=NN(C(=C1N=NC2=CC=C(C=C2)Cl)O)C MCULE-3256264128 [0,1,0,0,0,0|3,0,0]=4 39 B18R2.94068 CC1=NN(C(=C1N=NC2=CC=C(C=C2)F)O)C MCULE-4807281822 [0,1,0,0,0,0|3,0,0]=4 40 B18R2.94068 CN1N=C(C(=NNC2=CC=C(C=C2)Br)C1=O)N MCULE-9066448552 [0,1,0,0,0,0|2,0,1]=4 41 B18R2.94068 CN1N=C(C(=NNC2=CC=C(C=C2)Cl)C1=O)N MCULE-2142897057 [0,1,0,0,0,0|2,0,1]=4 42 B18R2.94068 CN1N=C(C(=NNC2=CC=C(C=C2)F)C1=O)N MCULE-8409671559 [0,1,0,0,0,0|2,0,1]=4 43 B18R2.94068 CN1N=C(C(=NNC2=CC=C(C=C2)O)C1=O)N MCULE-4562668011 [0,1,0,0,0,0|1,0,1]=3 44 B18R2.530545 CC1=CC(=C(C=C1)N/N=C/2\C(=N)NN=C2N)C MCULE-2287368038 [0,1,0,0,0,0|1,0,2]=4 45 B18R2.530545 CC1=CC=C(C(=C1)C)N=NC2=C(NN=C2N)N MCULE-3966434004 [0,1,0,0,0,0|1,0,0]=2 46 B18R2.530545 CC1=NNC(=C1N=NC2=C(C=C(C=C2)Cl)Cl)C MCULE-2689849664 [0,1,0,0,0,0|3,0,0]=4 47 B18R2.530545 CC1=NNC(=C1N=NC2=C(C=C(C=C2)F)F)C MCULE-6747180741 [0,1,0,0,0,0|3,0,0]=4 48 B18R2.530545 NC1=NNC(=C1N=NC2=C(C=C(C=C2)Cl)Cl)N MCULE-5904570208 [0,1,0,0,0,0|1,0,0]=2 49 B16R2.11573 CC1=NNC(=C1CC2=CC=C(C=C2)O)C MCULE-1664268198 [0,0,0,0,1,0|3,0,0]=4 50 B18R2.94069 NC1=NC=NC(=C1N=CC2=CC=C(C=C2)O)O MCULE-6753410754 [0,0,0,0,0,1|2,0,1]=4 51 B15R1.3569 N=C(N)C(N=NC1=CC=CC=C1)C(=O)N MCULE-1944484884 [1,0,1,0,0,0|1,0,1]=4 52 B15R1.3569 N=C(N)C(N=NC1=CC=CC=C1)C(=O)N MCULE-2956053413 [1,0,1,0,0,0|1,0,1]=4 53 B15R2.55 NC1=NON=C1N=NC2=CC=CC=C2 MCULE-6279429783 [2,0,0,0,0,0|2,0,0]=4 54 B17R1.221 COC1=CC=C(C=C1)/N=N/C(C(=N)N)C(=O)N MCULE-1692587496 [0,1,1,0,0,0|1,0,1]=4 55 B17R1.221 COC1=CC=C(C=C1)N=NC(C(=N)N)C(=O)N MCULE-4700718559 [0,1,1,0,0,0|1,0,1]=4 56 B17R2.8659 NC1=NNC(=C1CC(=O)C2=CC=CC=C2)N MCULE-8428449476 [1,1,0,0,0,0|2,0,0]=4 57 B17R2.40301 CC1=C(C=CC=C1)N/N=C\2/C(=O)NN=C2N MCULE-9038091935 [1,1,0,0,0,0|1,0,1]=4 58 B17R2.40301 CC1=C(C=CC=C1)N=NC2=C(NN=C2N)N MCULE-8505502699 [1,1,0,0,0,0|0,0,0]=2 59 B17R2.40301 N=C\1NN=C(/C1=N\NC2=CC=CC=C2F)N MCULE-3304507422 [1,1,0,0,0,0|0,0,2]=4 60 B17R2.40301 NC1=C(C(=O)NN1)N=NC2=CC=CC=C2F MCULE-2427201939 [1,1,0,0,0,0|1,0,1]=4 61 B17R2.40301 NC1=NNC(=C1N=NC2=CC=CC=C2F)N MCULE-2707284237 [1,1,0,0,0,0|0,0,0]=2 62 B17R2.40301 NC\1=NNC(=O)/C1=N/NC2=C(C=CC=C2)O MCULE-4609237301 [1,1,0,0,0,0|1,0,1]=4 63 B17R2.42443 CC1=NN(C(=C1N=NC2=CC=CC=C2)Cl)C MCULE-3591550560 [1,1,0,0,0,0|2,0,0]=4 64 B17R2.42443 CC1=NN(C(=C1N=NC2=CC=CC=C2)O)C MCULE-8807013258 [1,1,0,0,0,0|2,0,0]=4 65 B17R2.42443 CN1N=C(C(=NNC2=CC=CC=C2)C1=O)N MCULE-8290530922 [1,1,0,0,0,0|1,0,1]=4 66 B17R2.150275 CC1=CC=CC(=C1)N=NC2=C(NN=C2N)N MCULE-2682969615 [1,1,0,0,0,0|0,0,0]=2 67 B17R2.150275 N=C\1NN=C(/C1=N\NC2=CC(=CC=C2)F)N MCULE-3080311761 [1,1,0,0,0,0|0,0,2]=4 68 B17R2.150275 NC1=C(C(=O)NN1)N=NC2=CC=CC(=C2)Cl MCULE-5133780984 [1,1,0,0,0,0|1,0,1]=4 69 B17R2.150275 NC1=NNC(=C1N=NC2=CC(=CC=C2)Cl)N MCULE-3414894115 [1,1,0,0,0,0|0,0,0]=2 70 B17R2.150275 NC\1=NNC(=O)/C1=N/NC2=CC(=CC=C2)Cl MCULE-4907248127 [1,1,0,0,0,0|1,0,1]=4 71 B17R2.3723 COC1=CC=C(C=C1)CC2=C(ON=C2N)N MCULE-4168137830 [0,1,0,0,1,0|2,0,0]=4 72 B19R2.49652 CC1=NNC(=C1N=NC2=CC=C(C=C2)C(=O)O)C MCULE-9569160309 [0,2,0,0,0,0|2,0,0]=4 73 B19R2.49652 NC1=NNC(=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])N MCULE-2350095731 [0,2,0,0,0,0|0,0,1]=3 74 B19R2.56105 COC1=CC=C(C=C1)N=NC2=C(N(N=C2C)C)O MCULE-5309758471 [0,2,0,0,0,0|2,0,0]=4 75 B19R2.56105 COC1=CC=C(C=C1)NN=C2C(=O)N(N=C2N)C MCULE-6217834526 [0,2,0,0,0,0|1,0,1]=4 76 B19R2.219978 CCOC1=CC=C(C=C1)N/N=C\2/C(=O)NN=C2N MCULE-5269239915 [0,2,0,0,0,0|1,0,1]=4 77 B19R2.219978 CCOC1=CC=C(C=C1)N=NC2=C(NN=C2N)N MCULE-3524983209 [0,2,0,0,0,0|0,0,0]=2 78 B19R2.219978 CCOC1=CC=C(C=C1)N=NC2=C(NNC2=O)N MCULE-6751863153 [0,2,0,0,0,0|1,0,1]=4 79 B17R3.18937 NC1=NNC2=C1C=NC3=CC=C(C=C23)F MCULE-9932441085 [1,0,0,1,0,0|2,0,0]=4 80 B15R2.18925 CC1=CC=C(C=C1)C2=C(NN=C2C)N MCULE-5163165511 [0,0,0,0,2,0|2,0,0]=4 81 B15R2.18925 CC1=CC=C(C=C1)C2=C(NN=C2C)N MCULE-6721632026 [0,0,0,0,2,0|2,0,0]=4 82 B15R2.18925 CC1=NNC(=C1C2=CC=C(C=C2)Br)N MCULE-3230729228 [0,0,0,0,2,0|2,0,0]=4 83 B15R2.18925 CC1=NNC(=C1C2=CC=C(C=C2)Cl)N MCULE-2044086228 [0,0,0,0,2,0|2,0,0]=4 84 B15R2.18925 CC1=NNC(=C1C2=CC=C(C=C2)Cl)N MCULE-7863252451 [0,0,0,0,2,0|2,0,0]=4 85 B15R2.18925 CC1=NNC(=C1C2=CC=C(C=C2)F)N MCULE-2234431385 [0,0,0,0,2,0|2,0,0]=4 86 B15R2.18925 CC1=NNC(=C1C2=CC=C(C=C2)O)C MCULE-7010469157 [0,0,0,0,2,0|2,0,0]=4 87 B15R2.18925 NC1=C(C(=NN1)O)C2=CC=C(C=C2)Cl MCULE-2776480411 [0,0,0,0,2,0|2,0,0]=4 88 B17R2.3933 NC1=NC=NC(=C1N=NC2=CC=CC=C2)N MCULE-8778705283 [1,0,0,0,0,1|0,0,1]=3