0 B17R2.10947 C1C(C(OC1N2C=CC(=NC2=O)N)CO)N PI-35536 [0,0,0,0,0,0|1,0,0]=1 1 B17R2.10947 C1C(C(OC1N2C=CC(=NC2=O)N)CO)O PI-13773 [0,0,0,0,0,0|0,0,0]=0 2 B17R2.10947 OC[C@@H]1O[C@@H](C[C@H]1O)n2ccc(=O)[nH]c2=O PI-24679 [0,0,0,0,0,0|1,0,1]=2 3 B17R2.10947 OC[C@H]1O[C@H](C[C@@H]1O)n2cnc(N)nc2=O PI-24257 [0,0,0,0,0,0|1,0,0]=1 4 B16R2.2335 C1C(OC(S1)CO)N2C=CC(=NC2=O)N PI-10794 [1,0,0,0,0,0|1,0,0]=2 5 B16R2.2335 C1CC(OC1CO)N2C=CC(=NC2=O)N PI-10371 [1,0,0,0,0,0|0,0,0]=1 6 B18R2.16852 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)F PI-24021 [0,1,0,0,0,0|0,0,0]=1 7 B18R2.16852 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)Br PI-16675 [0,1,0,0,0,0|1,0,1]=3 8 B18R2.16852 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F PI-10041 [0,1,0,0,0,0|1,0,1]=3 9 B18R2.16852 O=C1NC(C=CN1[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)=O PI-40081 [0,1,0,0,0,0|1,0,1]=3 10 B18R2.16852 O=C1NC(C=CN1[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)=O PI-10365 [0,1,0,0,0,0|1,0,1]=3 11 B18R2.16852 OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n2ccc(=O)[nH]c2=O PI-18719 [0,1,0,0,0,0|1,0,1]=3 12 B18R2.16852 OC[C@@H]1[C@@H](F)[C@H]([C@H](N2C(NC(C=C2)=O)=O)O1)O PI-40079 [0,1,0,0,0,0|2,0,1]=4 13 B18R2.16852 OC[C@@H]1[C@H]([C@H]([C@H](N2C(NC(C=C2)=O)=S)O1)O)O PI-40617 [0,1,0,0,0,0|1,1,1]=4 14 B18R2.16852 OC[C@H]1O[C@H](C(O)C1O)n2ccc(N)nc2=O PI-18801 [0,1,0,0,0,0|0,0,0]=1 15 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)N)n2ccc(=O)[nH]c2=O PI-35550 [0,1,0,0,0,0|1,0,1]=3 16 B18R2.16852 OC[C@H]1O[C@H]([C@H](Cl)[C@@H]1O)n2ccc(N)nc2=O PI-10043 [0,1,0,0,0,0|0,0,0]=1 17 B18R2.16852 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc(N)nc2=O PI-24319 [0,1,0,0,0,0|1,0,0]=2 18 B18R2.16852 OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n2ccc(nc2=O)N PI-10036 [0,1,0,0,0,0|0,0,0]=1 19 B18R2.165926 C1C(C(OC1N2C=C(C(=NC2=O)N)I)CO)O PI-35521 [0,1,0,0,0,0|0,0,0]=1 20 B18R2.165926 C1C(C(OC1N2C=C(C(=O)NC2=O)Cl)CO)O PI-17341 [0,1,0,0,0,0|1,0,1]=3 21 B18R2.165926 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N PI-35513 [0,1,0,0,0,0|2,0,1]=4 22 B18R2.165926 O=C1NC(C(C)=CN1[C@@H]2O[C@@H](CO)[C@H](O)C2)=O PI-40066 [0,1,0,0,0,0|1,0,1]=3 23 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(Br)c(=O)[nH]c2=O PI-35519 [0,1,0,0,0,0|1,0,1]=3 24 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(Br)c(N)nc2=O PI-35353 [0,1,0,0,0,0|0,0,0]=1 25 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(C)c(=O)[nH]c2=O PI-18599 [0,1,0,0,0,0|1,0,1]=3 26 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(C)c(nc2=O)N PI-25867 [0,1,0,0,0,0|0,0,0]=1 27 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(F)c(=O)[nH]c2=O PI-11838 [0,1,0,0,0,0|1,0,1]=3 28 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(I)c(=O)[nH]c2=O PI-32611 [0,1,0,0,0,0|1,0,1]=3 29 B18R3.199977 C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N PI-10366 [0,0,0,1,0,0|0,0,2]=3 30 B18R3.199977 C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O PI-24367 [0,0,0,1,0,0|1,0,1]=3 31 B17R2.96300 C1CC(OC1CO)N2C=C(C(=NC2=O)N)I PI-44364 [1,1,0,0,0,0|0,0,0]=2 32 B17R2.96300 C1CC(OC1CO)N2C=C(C(=O)NC2=O)I PI-44365 [1,1,0,0,0,0|1,0,1]=4 33 B17R2.96300 Nc1nc(=O)n(cc1F)[C@@H]2CS[C@@H](O2)CO PI-11392 [1,1,0,0,0,0|1,0,0]=3 34 B19R2.1626547 COC1C(C(OC1N2C=CC(=O)NC2=O)CO)O PI-24228 [0,2,0,0,0,0|1,0,1]=4 35 B19R2.1626547 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N2C=CC(N)=NC2=O PI-32612 [0,2,0,0,0,0|0,0,0]=2 36 B19R2.1626584 C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N2C=CC(=O)NC2=O PI-42280 [0,2,0,0,0,0|1,0,1]=4 37 B19R2.1626584 O=C1NC(C=CN1[C@@H]2O[C@H](CO)[C@@H](O)[C@]2(O)C)=O PI-40080 [0,2,0,0,0,0|1,0,1]=4 38 B19R2.1626584 OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O PI-21777 [0,2,0,0,0,0|0,0,0]=2 39 B19R2.1626584 OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O PI-32664 [0,2,0,0,0,0|0,0,0]=2 40 B19R2.1646569 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2ccc(NN)nc2=O PI-35518 [0,2,0,0,0,0|0,0,0]=2 41 B19R2.3613666 C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)F PI-23563 [0,2,0,0,0,0|0,0,0]=2 42 B19R2.3613666 C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)Br PI-16449 [0,2,0,0,0,0|1,0,1]=4 43 B19R2.3613666 C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)F PI-10420 [0,2,0,0,0,0|1,0,1]=4 44 B19R2.3613666 CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O PI-17986 [0,2,0,0,0,0|1,0,1]=4 45 B19R2.3613666 OC[C@@H]1[C@H]([C@H]([C@H](N2C(NC(C(Cl)=C2)=O)=O)O1)O)O PI-24296 [0,2,0,0,0,0|1,0,1]=4 46 B19R2.3613666 OC[C@H]1O[C@H](C(O)C1O)n2cc(I)c(N)nc2=O PI-17710 [0,2,0,0,0,0|0,0,0]=2 47 B19R2.3613666 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(I)C(=O)NC2=O PI-17711 [0,2,0,0,0,0|1,0,1]=4 48 B19R2.3613666 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cc(C)c(=O)[nH]c2=O PI-24114 [0,2,0,0,0,0|1,0,1]=4 49 B19R2.3613666 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cc(C)c(N)nc2=O PI-25337 [0,2,0,0,0,0|0,0,0]=2 50 B19R2.279485 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(C#C)c(=O)[nH]c2=O PI-38755 [0,2,0,0,0,0|1,0,1]=4 51 B19R3.16215572 CC1=CN(C(=O)NC1=O)C2C3C(O3)C(O2)CO PI-35361 [0,1,0,1,0,0|1,0,1]=4