0 B18R2.165926 C1C(C(OC1N2C=C(C(=NC2=O)N)I)CO)O PI-35521 [0,0,0,0,0,0|2,0,1]=3 1 B18R2.165926 C1C(C(OC1N2C=C(C(=O)NC2=O)Cl)CO)O PI-17341 [0,0,0,0,0,0|1,0,0]=1 2 B18R2.165926 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N PI-35513 [0,0,0,0,0,0|1,0,0]=1 3 B18R2.165926 CC1CN(C(=O)NC1=O)C2CC(C(O2)CO)O PI-13289 [0,0,0,0,0,0|0,0,2]=2 4 B18R2.165926 O=C1NC(C(C)=CN1[C@@H]2O[C@@H](CO)[C@H](O)C2)=O PI-40066 [0,0,0,0,0,0|0,0,0]=0 5 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(Br)c(=O)[nH]c2=O PI-35519 [0,0,0,0,0,0|1,0,0]=1 6 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(Br)c(N)nc2=O PI-35353 [0,0,0,0,0,0|2,0,1]=3 7 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(C)c(=O)[nH]c2=O PI-18599 [0,0,0,0,0,0|0,0,0]=0 8 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(C)c(nc2=O)N PI-25867 [0,0,0,0,0,0|1,0,1]=2 9 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(F)c(=O)[nH]c2=O PI-11838 [0,0,0,0,0,0|1,0,0]=1 10 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(I)c(=O)[nH]c2=O PI-32611 [0,0,0,0,0,0|1,0,0]=1 11 B17R2.10947 C1C(C(OC1N2C=CC(=NC2=O)N)CO)N PI-35536 [1,0,0,0,0,0|2,0,1]=4 12 B17R2.10947 C1C(C(OC1N2C=CC(=NC2=O)N)CO)O PI-13773 [1,0,0,0,0,0|1,0,1]=3 13 B17R2.10947 OC[C@@H]1O[C@@H](C[C@H]1O)n2ccc(=O)[nH]c2=O PI-24679 [1,0,0,0,0,0|0,0,0]=1 14 B17R2.10947 OC[C@H]1O[C@H](C[C@@H]1O)n2cnc(N)nc2=O PI-24257 [1,0,0,0,0,0|2,0,1]=4 15 B17R2.96300 C1CC(OC1CO)N2C=C(C(=NC2=O)N)I PI-44364 [1,0,0,0,0,0|2,0,1]=4 16 B17R2.96300 C1CC(OC1CO)N2C=C(C(=O)NC2=O)I PI-44365 [1,0,0,0,0,0|1,0,0]=2 17 B17R2.96300 O=C1NC(C(C)=CN1[C@@H]2O[C@H](CO)C=C2)=O PI-10820 [1,0,0,0,0,0|0,0,2]=3 18 B19R2.279485 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(C#C)c(=O)[nH]c2=O PI-38755 [0,1,0,0,0,0|0,0,1]=2 19 B19R2.3613666 C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)F PI-23563 [0,1,0,0,0,0|2,0,1]=4 20 B19R2.3613666 C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)Br PI-16449 [0,1,0,0,0,0|1,0,0]=2 21 B19R2.3613666 C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)F PI-10420 [0,1,0,0,0,0|1,0,0]=2 22 B19R2.3613666 CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O PI-17986 [0,1,0,0,0,0|0,0,0]=1 23 B19R2.3613666 OC[C@@H]1[C@H]([C@H]([C@H](N2C(NC(C(Cl)=C2)=O)=O)O1)O)O PI-24296 [0,1,0,0,0,0|1,0,0]=2 24 B19R2.3613666 OC[C@H]1O[C@H](C(O)C1O)n2cc(I)c(N)nc2=O PI-17710 [0,1,0,0,0,0|2,0,1]=4 25 B19R2.3613666 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(I)C(=O)NC2=O PI-17711 [0,1,0,0,0,0|1,0,0]=2 26 B19R2.3613666 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cc(C)c(=O)[nH]c2=O PI-24114 [0,1,0,0,0,0|0,0,0]=1 27 B19R2.3613666 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cc(C)c(N)nc2=O PI-25337 [0,1,0,0,0,0|1,0,1]=3 28 B19R3.16215572 CC1=CN(C(=O)NC1=O)C2C3C(O3)C(O2)CO PI-35361 [0,0,0,1,0,0|0,0,0]=1 29 B16R2.2335 C1CC(OC1CO)N2C=CC(=NC2=O)N PI-10371 [2,0,0,0,0,0|1,0,1]=4 30 B18R2.16852 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)F PI-24021 [1,1,0,0,0,0|1,0,1]=4 31 B18R2.16852 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)Br PI-16675 [1,1,0,0,0,0|0,0,0]=2 32 B18R2.16852 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F PI-10041 [1,1,0,0,0,0|0,0,0]=2 33 B18R2.16852 O=C1NC(C=CN1[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)=O PI-40081 [1,1,0,0,0,0|0,0,0]=2 34 B18R2.16852 O=C1NC(C=CN1[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)=O PI-10365 [1,1,0,0,0,0|0,0,0]=2 35 B18R2.16852 OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n2ccc(=O)[nH]c2=O PI-18719 [1,1,0,0,0,0|0,0,0]=2 36 B18R2.16852 OC[C@@H]1[C@@H](F)[C@H]([C@H](N2C(NC(C=C2)=O)=O)O1)O PI-40079 [1,1,0,0,0,0|1,0,0]=3 37 B18R2.16852 OC[C@@H]1[C@H]([C@H]([C@H](N2C(NC(C=C2)=O)=S)O1)O)O PI-40617 [1,1,0,0,0,0|0,1,0]=3 38 B18R2.16852 OC[C@H]1O[C@H](C(O)C1O)n2ccc(N)nc2=O PI-18801 [1,1,0,0,0,0|1,0,1]=4 39 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)N)n2ccc(=O)[nH]c2=O PI-35550 [1,1,0,0,0,0|0,0,0]=2 40 B18R2.16852 OC[C@H]1O[C@H]([C@H](Cl)[C@@H]1O)n2ccc(N)nc2=O PI-10043 [1,1,0,0,0,0|1,0,1]=4 41 B18R2.16852 OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n2ccc(nc2=O)N PI-10036 [1,1,0,0,0,0|1,0,1]=4 42 B20R2.11267199 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-] PI-10306 [0,2,0,0,0,0|1,0,0]=3 43 B20R2.5521486 CC1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)OC PI-35358 [0,2,0,0,0,0|1,0,1]=4 44 B20R2.5521486 CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)OC PI-24492 [0,2,0,0,0,0|0,0,0]=2 45 B18R3.199977 C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O PI-24367 [1,0,0,1,0,0|0,0,2]=4 46 B18R3.1225624 CC1=CN2C3CC(C(O3)CO)OC2=NC1=O PI-17203 [1,0,0,1,0,0|0,0,1]=3