0 B23R3.4661730 N#CC1=CN(C2=C1C(=NC=N2)N)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-3308707072 [0,0,0,0,0,0|0,0,0]=0 1 B23R3.4661730 N#CC1=CN(C2=C1C(=NC=N2)N)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-9244603127 [0,0,0,0,0,0|0,0,0]=0 2 B23R3.4661730 N#CC1=CN(C2=C1C(=O)N=CN2)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-2740923338 [0,0,0,0,0,0|1,0,1]=2 3 B23R3.4661730 N#CC1=CN(C2=C1C(=O)NC=N2)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-4797792740 [0,0,0,0,0,0|1,0,1]=2 4 B23R3.4661730 N#CC1=CN(C2=NC=NC(=C12)N)C3OC(C(C3O)O)CO MCULE-6674566498 [0,0,0,0,0,0|0,0,0]=0 5 B22R3.3445214 N#CC1=CN(C2=NC=NC(=C12)N)[C@H]3C[C@@H]([C@H](O3)CO)O MCULE-2114969340 [1,0,0,0,0,0|0,0,0]=1 6 B22R3.3484142 NC1=C2C(=CN(C2=NC=N1)C3OC(C(C3O)O)CO)Br MCULE-9029561456 [1,0,0,0,0,0|1,0,0]=2 7 B22R3.3484142 NC1=C2C(=CN(C2=NC=N1)C3OC(C(C3O)O)CO)F MCULE-3392304962 [1,0,0,0,0,0|1,0,0]=2 8 B22R3.3484142 NC1=C2C(=CN(C2=NC=N1)C3OC(C(C3O)O)CO)I MCULE-6197867676 [1,0,0,0,0,0|1,0,0]=2 9 B22R3.3484142 NC1=C2C(=CN(C2=NC=N1)C3O[C@@H]([C@H]([C@H]3O)O)CO)Br MCULE-9546681436 [1,0,0,0,0,0|1,0,0]=2 10 B22R3.3484142 NC1=C2C(=CN(C2=NC=N1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO)I MCULE-6036525796 [1,0,0,0,0,0|2,0,0]=3 11 B22R3.3484142 NC1=C2C(=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO)Br MCULE-2825843615 [1,0,0,0,0,0|1,0,0]=2 12 B22R3.3484142 NC1=C2C(=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO)Br MCULE-5318898044 [1,0,0,0,0,0|1,0,0]=2 13 B22R3.3484142 NC1=C2C(=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO)F MCULE-3811186039 [1,0,0,0,0,0|1,0,0]=2 14 B22R3.3484142 NC1=C2C(=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO)I MCULE-5161520784 [1,0,0,0,0,0|1,0,0]=2 15 B22R3.3484142 NC1=C2C(=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO)I MCULE-6578736970 [1,0,0,0,0,0|1,0,0]=2 16 B22R3.3484142 NC1=C2C(=CN(C2=NC=N1)[C@H]3O[C@H]([C@@H]([C@@H]3O)O)CO)I MCULE-1762662674 [1,0,0,0,0,0|1,0,0]=2 17 B22R3.3484142 O=C1NC=NC2=C1C(=CN2C3OC(C(C3O)O)CO)F MCULE-7390630061 [1,0,0,0,0,0|2,0,1]=4 18 B22R3.3484142 O=C1NC=NC2=C1C(=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO)F MCULE-5601468382 [1,0,0,0,0,0|2,0,1]=4 19 B22R3.3484142 O=C1NC=NC2=C1C(=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO)F MCULE-5899751132 [1,0,0,0,0,0|2,0,1]=4 20 B22R3.3484142 [C@H]1([C@H](O[C@H]([C@@H]1O)N2C=C(C3=C2N=CN=C3N)F)CO)O MCULE-8200727607 [1,0,0,0,0,0|1,0,0]=2 21 B24R3.6322439 NC(=O)C1=CN(C2=C1C(=NC=N2)N)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-4002765856 [0,1,0,0,0,0|0,0,2]=3 22 B21R3.2674068 NC1=C2C(=CN(C2=NC=N1)C3CC(C(O3)CO)O)I MCULE-2399327084 [2,0,0,0,0,0|1,0,0]=3 23 B21R3.2674068 NC1=C2C(=CN(C2=NC=N1)C3C[C@H]([C@@H](O3)CO)O)I MCULE-4236453485 [2,0,0,0,0,0|1,0,0]=3 24 B21R3.2674068 NC1=C2C(=CN(C2=NC=N1)[C@@H]3C[C@H]([C@@H](O3)CO)O)I MCULE-5330436412 [2,0,0,0,0,0|1,0,0]=3 25 B21R3.2674068 NC1=C2C(=CN(C2=NC=N1)[C@@H]3C[C@H]([C@@H](O3)CO)O)I MCULE-7352650417 [2,0,0,0,0,0|1,0,0]=3 26 B21R3.2674068 NC1=C2C(=CN(C2=NC=N1)[C@H]3C[C@@H]([C@H](O3)CO)O)I MCULE-1099235040 [2,0,0,0,0,0|1,0,0]=3 27 B21R3.2674068 NC1=C2C(=CN(C2=NC=N1)[C@H]3C[C@@H]([C@H](O3)CO)O)I MCULE-2553746483 [2,0,0,0,0,0|1,0,0]=3 28 B21R3.2674068 NC1=C2C(=CN(C2=NC=N1)[C@H]3C[C@@H]([C@H](O3)CO)O)I MCULE-7676959391 [2,0,0,0,0,0|1,0,0]=3 29 B21R3.2674068 NC1=C2C(=NN(C2=NC=N1)C3CC(C(O3)CO)O)I MCULE-4836749082 [2,0,0,0,0,0|2,0,0]=4 30 B21R3.2674068 NC1=NC=NC2=C1C(=CN2[C@H]3C[C@H]([C@H](O3)CO)O)I MCULE-7362763097 [2,0,0,0,0,0|1,0,0]=3 31 B21R3.2674068 OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C3=C(N=CN=C23)Cl)I MCULE-4644308702 [2,0,0,0,0,0|2,0,0]=4 32 B21R3.2674068 [C@@H]1(C[C@@H]([C@H](O1)CO)O)N2N=C(C3=C(N=CN=C23)N)I MCULE-5971714625 [2,0,0,0,0,0|2,0,0]=4 33 B21R3.2674068 [C@@H]1(C[C@@H]([C@H](O1)CO)O)N2N=C(C3=C(N=CN=C23)N)I MCULE-9519927381 [2,0,0,0,0,0|2,0,0]=4 34 B21R3.65411 C1(OC(C(C1O)O)N2C=NC3=C(N=CN=C23)N)CCl MCULE-9154324557 [2,0,0,0,0,0|2,0,0]=4 35 B21R3.65411 CC1=C2C=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-3362255552 [2,0,0,0,0,0|1,0,0]=3 36 B21R3.65411 CC1=C2N=CN(C2=NC=N1)C3OC(C(C3O)O)CO MCULE-4051741411 [2,0,0,0,0,0|2,0,0]=4 37 B21R3.65411 CC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-5303285869 [2,0,0,0,0,0|2,0,0]=4 38 B21R3.65411 CC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-7551657250 [2,0,0,0,0,0|2,0,0]=4 39 B21R3.65411 NC1=C2C=CN(C2=NC=N1)C3OC(C(C3O)O)CO MCULE-2831675673 [2,0,0,0,0,0|0,0,0]=2 40 B21R3.65411 NC1=C2C=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-9987324052 [2,0,0,0,0,0|0,0,0]=2 41 B21R3.65411 NC1=C2N=CN(C2=NC=C1)C3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-8016178975 [2,0,0,0,0,0|2,0,0]=4 42 B21R3.65411 NC1=C2N=CN(C2=NC=C1)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-4122032508 [2,0,0,0,0,0|2,0,0]=4 43 B21R3.65411 NC1=C2N=CN(C2=NC=C1)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-5544907093 [2,0,0,0,0,0|2,0,0]=4 44 B21R3.65411 NC1=C2N=CN(C2=NC=N1)C3OC(C(C3F)O)CO MCULE-9761070664 [2,0,0,0,0,0|2,0,0]=4 45 B21R3.65411 NC1=C2N=CN(C2=NC=N1)C3OC(C(C3N)O)CO MCULE-8149010187 [2,0,0,0,0,0|2,0,0]=4 46 B21R3.65411 NC1=C2N=CN(C2=NC=N1)C3OC(C(C3O)O)CO MCULE-1929985725 [2,0,0,0,0,0|1,0,0]=3 47 B21R3.65411 NC1=C2N=CN(C2=NC=N1)C3OC(C(C3O)O)CO MCULE-7671875172 [2,0,0,0,0,0|1,0,0]=3 48 B21R3.65411 NC1=C2N=CN(C2=NC=N1)C3O[C@@H]([C@@H]([C@H]3O)O)CO MCULE-1064216027 [2,0,0,0,0,0|1,0,0]=3 49 B21R3.65411 NC1=C2N=CN(C2=NC=N1)C3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-1028886595 [2,0,0,0,0,0|1,0,0]=3 50 B21R3.65411 NC1=C2N=CN(C2=NC=N1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO MCULE-3354100107 [2,0,0,0,0,0|2,0,0]=4 51 B21R3.65411 NC1=C2N=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@@H]([C@H]3O)F)CO MCULE-1576431167 [2,0,0,0,0,0|2,0,0]=4 52 B21R3.65411 NC1=C2N=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@@H]([C@H]3O)F)CO MCULE-8555818166 [2,0,0,0,0,0|2,0,0]=4 53 B21R3.65411 NC1=C2N=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@@H]3F)O)CO MCULE-5549189932 [2,0,0,0,0,0|2,0,0]=4 54 B21R3.65411 NC1=C2N=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@@H]3F)O)CO MCULE-7319393874 [2,0,0,0,0,0|2,0,0]=4 55 B21R3.65411 NC1=C2N=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@@H]3O)O)CO MCULE-4219451083 [2,0,0,0,0,0|1,0,0]=3 56 B21R3.65411 NC1=C2N=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@H]3F)O)CO MCULE-3261152638 [2,0,0,0,0,0|2,0,0]=4 57 B21R3.65411 NC1=C2N=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@H]3F)O)CO MCULE-7251955925 [2,0,0,0,0,0|2,0,0]=4 58 B21R3.65411 NC1=C2N=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@H]3O)F)CO MCULE-2762131253 [2,0,0,0,0,0|2,0,0]=4 59 B21R3.65411 NC1=C2N=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CCl MCULE-3199727258 [2,0,0,0,0,0|2,0,0]=4 60 B21R3.65411 NC1=C2N=CN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-6268373280 [2,0,0,0,0,0|1,0,0]=3 61 B21R3.65411 NC1=C2N=CN(C2=NC=N1)[C@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-4869944121 [2,0,0,0,0,0|1,0,0]=3 62 B21R3.65411 NC1=C2N=CN(C2=NC=N1)[C@H]3O[C@H]([C@@H]([C@@H]3O)O)CO MCULE-2045595721 [2,0,0,0,0,0|1,0,0]=3 63 B21R3.65411 NC1=C2N=NN(C2=NC=N1)C3OC(C(C3O)O)CO MCULE-3775714761 [2,0,0,0,0,0|2,0,0]=4 64 B21R3.65411 NC1=C2N=NN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-1563015985 [2,0,0,0,0,0|2,0,0]=4 65 B21R3.65411 NC1=C2N=NN(C2=NC=N1)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-1748278197 [2,0,0,0,0,0|2,0,0]=4 66 B21R3.65411 NC1=NC=CC2=C1N=CN2C3OC(C(C3O)O)CO MCULE-8564353119 [2,0,0,0,0,0|2,0,0]=4 67 B21R3.65411 NC1=NC=CC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-1012348897 [2,0,0,0,0,0|2,0,0]=4 68 B21R3.65411 NC1=NC=CC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-2848129569 [2,0,0,0,0,0|2,0,0]=4 69 B21R3.65411 NC1=NC=CC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-7381654724 [2,0,0,0,0,0|2,0,0]=4 70 B21R3.65411 NC1=NC=CC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-9350932946 [2,0,0,0,0,0|2,0,0]=4 71 B21R3.65411 NC1=NC=NC2=C1C=CN2[C@@H]3O[C@@H]([C@@H]([C@H]3O)O)CO MCULE-9479511708 [2,0,0,0,0,0|0,0,0]=2 72 B21R3.65411 NC1=NC=NC2=C1C=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-3100542394 [2,0,0,0,0,0|0,0,0]=2 73 B21R3.65411 NC1=NC=NC2=C1N=CN2C3OC(C(C3O)F)CO MCULE-3920150893 [2,0,0,0,0,0|2,0,0]=4 74 B21R3.65411 NC1=NC=NC2=C1N=CN2C3OC(C(C3O)N)CO MCULE-9914147677 [2,0,0,0,0,0|2,0,0]=4 75 B21R3.65411 NC1=NC=NC2=C1N=CN2C3OC(C(C3O)O)CI MCULE-3598611101 [2,0,0,0,0,0|2,0,0]=4 76 B21R3.65411 NC1=NC=NC2=C1N=CN2[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO MCULE-5480992183 [2,0,0,0,0,0|2,0,0]=4 77 B21R3.65411 NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@@H]3F)O)CO MCULE-2629888340 [2,0,0,0,0,0|2,0,0]=4 78 B21R3.65411 NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@@H]3O)O)CO MCULE-9042303068 [2,0,0,0,0,0|1,0,0]=3 79 B21R3.65411 NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3F)O)CO MCULE-9149985786 [2,0,0,0,0,0|2,0,0]=4 80 B21R3.65411 NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3N)O)CO MCULE-5794319025 [2,0,0,0,0,0|2,0,0]=4 81 B21R3.65411 NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3N)O)CO MCULE-7086049481 [2,0,0,0,0,0|2,0,0]=4 82 B21R3.65411 NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)F)CO MCULE-9088084109 [2,0,0,0,0,0|2,0,0]=4 83 B21R3.65411 NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)N)CO MCULE-8448800602 [2,0,0,0,0,0|2,0,0]=4 84 B21R3.65411 NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CCl MCULE-5039944512 [2,0,0,0,0,0|2,0,0]=4 85 B21R3.65411 NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CCl MCULE-5806252048 [2,0,0,0,0,0|2,0,0]=4 86 B21R3.65411 NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CF MCULE-1170556134 [2,0,0,0,0,0|2,0,0]=4 87 B21R3.65411 NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CF MCULE-1798877812 [2,0,0,0,0,0|2,0,0]=4 88 B21R3.65411 NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CI MCULE-8192117816 [2,0,0,0,0,0|2,0,0]=4 89 B21R3.65411 NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-7071766082 [2,0,0,0,0,0|1,0,0]=3 90 B21R3.65411 NC1=NC=NC2=C1N=CN2[C@H]3O[C@H]([C@@H]([C@@H]3O)O)CO MCULE-8325665065 [2,0,0,0,0,0|1,0,0]=3 91 B21R3.65411 NCC1OC(C(C1O)O)N2C=NC3=C2N=CN=C3N MCULE-5596194280 [2,0,0,0,0,0|2,0,0]=4 92 B21R3.65411 NC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C2N=CN=C3N MCULE-6300842500 [2,0,0,0,0,0|2,0,0]=4 93 B21R3.65411 NC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C2N=CN=C3N MCULE-9336209922 [2,0,0,0,0,0|2,0,0]=4 94 B21R3.65411 O=C1NC=NC2=C1C=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-1916163177 [2,0,0,0,0,0|1,0,1]=4 95 B21R3.65411 OCC1OC(C(C1O)O)N2C=CC3=C2N=CN=C3Cl MCULE-9905156376 [2,0,0,0,0,0|1,0,0]=3 96 B21R3.65411 OCC1OC(C(C1O)O)N2C=NC3=C2N=CN=C3Cl MCULE-9955212195 [2,0,0,0,0,0|2,0,0]=4 97 B21R3.65411 OCC1OC(C(C1O)O)N2C=NC3=C2N=CN=C3O MCULE-7128760083 [2,0,0,0,0,0|2,0,0]=4 98 B21R3.65411 OCC1OC(C(C1O)O)N2C=NC3=C2N=CN=C3S MCULE-9063264221 [2,0,0,0,0,0|2,0,0]=4 99 B21R3.65411 OC[C@@H]1O[C@@H]([C@H]([C@H]1O)O)N2C=NC3=C2N=CN=C3O MCULE-3859102643 [2,0,0,0,0,0|2,0,0]=4 100 B21R3.65411 OC[C@H]1OC([C@@H]([C@@H]1O)O)N2C=CC3=C(N=CN=C23)Cl MCULE-9183486124 [2,0,0,0,0,0|1,0,0]=3 101 B21R3.65411 OC[C@H]1OC([C@@H]([C@@H]1O)O)N2C=NC3=C(N=CN=C23)Cl MCULE-2162227117 [2,0,0,0,0,0|2,0,0]=4 102 B21R3.65411 OC[C@H]1OC([C@@H]([C@@H]1O)O)N2C=NC3=C2N=CN=C3Cl MCULE-8218711283 [2,0,0,0,0,0|2,0,0]=4 103 B21R3.65411 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C=CC3=C(N=CN=C23)Cl MCULE-7199876447 [2,0,0,0,0,0|1,0,0]=3 104 B21R3.65411 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C=CC3=C2N=CN=C3Cl MCULE-1322406038 [2,0,0,0,0,0|1,0,0]=3 105 B21R3.65411 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C=CC3=C2N=CN=C3Cl MCULE-1658562596 [2,0,0,0,0,0|1,0,0]=3 106 B21R3.65411 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C2N=CN=C3Cl MCULE-3530896109 [2,0,0,0,0,0|2,0,0]=4 107 B21R3.65411 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C2N=CN=C3Cl MCULE-5298805250 [2,0,0,0,0,0|2,0,0]=4 108 B21R3.65411 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C2N=CN=C3Cl MCULE-6228189141 [2,0,0,0,0,0|2,0,0]=4 109 B21R3.65411 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C2N=CN=C3S MCULE-1912045462 [2,0,0,0,0,0|2,0,0]=4 110 B21R3.65411 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C2N=CN=C3S MCULE-7203148599 [2,0,0,0,0,0|2,0,0]=4 111 B25R3.81627917 N/N=C(\N)/C1=CN(C2=C1C(=NC=N2)N)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-9559172366 [0,2,0,0,0,0|0,0,2]=4 112 B25R3.81627917 N=C(NO)C1=CN(C2=NC=NC(=C12)N)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO MCULE-2790994557 [0,2,0,0,0,0|0,0,2]=4 113 B23R3.45915620 CNC1=NC2=C(N1[C@H]3O[C@H]([C@@H]([C@@H]3O)O)CO)N=CN=C2N MCULE-8899853327 [0,0,0,0,1,1|2,0,0]=4 114 B23R3.45915620 NNC1=NC2=C(N1[C@H]3O[C@H]([C@@H]([C@@H]3O)O)CO)N=CN=C2N MCULE-1204517529 [0,0,0,0,1,1|1,0,1]=4