0 B14R2.5591 Cn1c(=O)n(C)c2c(c1=O)[nH]cc2 1P00DKUV [0,0,0,0,0,0|1,0,0]=1 1 B14R2.5591 Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 1P00I6H2 [0,0,0,0,0,0|0,0,0]=0 2 B14R2.5591 Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 1P00IAS0 [0,0,0,0,0,0|0,0,0]=0 3 B14R2.5591 Cn1c(=O)n(C)c2c(c1=O)nc[n-]2 1P01E4Z0 [0,0,0,0,0,0|0,0,2]=2 4 B13R2.4899 Cn1c(=O)[nH]c2c(c1=O)[nH]cn2 1P003EZQ [1,0,0,0,0,0|0,0,0]=1 5 B13R2.4899 Cn1c(=O)[nH]c2c(c1=O)ccs2 1P01BD00 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.4899 Cn1c(Cl)nc2c(c1=O)[nH]cc2 1P01KIR2 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.5393 Cn1cc(Br)c2c(c1=O)[nH]cc2 1P009Z8F [1,0,0,0,0,0|3,0,0]=4 8 B13R2.5393 O=c1[nH]c(=O)c2c(n1C)nc[nH]2 1P00348C [1,0,0,0,0,0|0,0,0]=1 9 B13R2.5393 O=c1[nH]c(=S)n(c2c1[nH]cn2)C 1P00BRAI [1,0,0,0,0,0|0,1,0]=2 10 B13R2.5393 O=c1oc(=O)c2c(n1C)ccs2 1P028EKY [1,0,0,0,0,0|3,0,0]=4 11 B15R2.9281 Cn1cnc2c1c(=O)n(C)c(=O)n2C 1P0039ZX [0,1,0,0,0,0|0,0,0]=1 12 B15R2.9281 O=c1n(C)c2n(C)ccc2c(=O)n1C 1P019XZV [0,1,0,0,0,0|1,0,1]=3 13 B15R2.9281 O=c1n(C)c2n(C)cnc2c(=O)n1C 1P00DEHN [0,1,0,0,0,0|0,0,2]=3 14 B15R2.60801 Brc1nc2c([nH]1)n(C)c(=O)n(c2=O)C 1P003NYO [0,1,0,0,0,0|0,0,2]=3 15 B15R2.60801 Brc1nc2c([nH]1)n(C)c(=O)n(c2=O)C 1P00IB6P [0,1,0,0,0,0|0,0,2]=3 16 B15R2.60801 Clc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C 1P003NYT [0,1,0,0,0,0|0,0,0]=1 17 B15R2.60801 Ic1[nH]c2c(n1)n(C)c(=O)n(c2=O)C 1P006X78 [0,1,0,0,0,0|0,0,0]=1 18 B15R2.60801 Nc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C 1P00755Z [0,1,0,0,0,0|0,0,0]=1 19 B15R2.60801 O=c1[nH]c2c([nH]1)c(=O)n(c(=O)n2C)C 1P0039X9 [0,1,0,0,0,0|0,0,1]=2 20 B15R2.60801 S=c1[nH]c2c([nH]1)c(=O)n(c(=O)n2C)C 1P0026GX [0,1,0,0,0,0|0,0,1]=2 21 B13R1.32 O=C=Nc1cn(C)c(=O)n(c1=O)C 1P00791L [0,0,1,0,0,0|1,0,2]=4 22 B13R1.3251 CNc1n(C)c(=O)n(c(=O)c1N)C 1P01IY49 [0,0,1,0,0,0|0,0,2]=3 23 B13R1.3251 N#Cc1c(Cl)n(C)c(=O)n(c1=O)C 1P006GBM [0,0,1,0,0,0|3,0,0]=4 24 B13R1.3251 N#Cc1c(I)n(C)c(=O)n(c1=O)C 1P01AMQ1 [0,0,1,0,0,0|3,0,0]=4 25 B13R1.3251 O=Cc1c(Cl)n(C)c(=O)n(c1=O)C 1P00D2XT [0,0,1,0,0,0|3,0,0]=4 26 B13R1.3251 O=Cc1c(N)n(C)c(=O)n(c1=O)C 1P00DD2T [0,0,1,0,0,0|2,0,1]=4 27 B13R1.3251 O=Nc1c(N)n(C)c(=O)n(c1=O)C 1P00FBWA [0,0,1,0,0,0|1,0,2]=4 28 B15R2.9032 Cn1c2nncnc2c(=O)n(c1=O)C 1P00DWCF [0,0,0,0,0,1|0,0,1]=2 29 B12R1.14 ClCc1cc(=O)n(c(=O)n1C)C 1P001TF8 [1,0,1,0,0,0|1,0,1]=4 30 B12R1.14 ClCc1cc(=O)n(c(=O)n1C)C 1P027ZBU [1,0,1,0,0,0|1,0,1]=4 31 B12R1.14 N#Cc1cn(C)c(=O)n(c1=O)C 1P01AI7Q [1,0,1,0,0,0|0,0,2]=4 32 B12R1.14 NCc1cc(=O)n(c(=O)n1C)C 1P019SUJ [1,0,1,0,0,0|0,0,1]=3 33 B12R1.14 NCc1cc(=O)n(c(=O)n1C)C 1P01AEHO [1,0,1,0,0,0|0,0,1]=3 34 B12R1.14 NNc1cc(=O)n(c(=O)n1C)C 1P0076I8 [1,0,1,0,0,0|0,0,1]=3 35 B12R1.14 NNc1nn(C)c(=O)n(c1=O)C 1P01BEWA [1,0,1,0,0,0|1,0,1]=4 36 B12R1.14 O=Cc1cc(=O)n(c(=O)n1C)C 1P008JU4 [1,0,1,0,0,0|1,0,0]=3 37 B12R1.14 O=Cc1cn(C)c(=O)n(c1=O)C 1P003E19 [1,0,1,0,0,0|1,0,0]=3 38 B12R1.3795 Cn1c(=O)n(C)c(=O)n(c1=O)N 1P01B1XJ [1,0,1,0,0,0|2,0,0]=4 39 B12R1.3795 Nc1n(C)c(=O)n(c(=O)c1N)C 1P003MQ4 [1,0,1,0,0,0|0,0,1]=3 40 B12R2.82 Cn1ccc2c(c1=O)[nH]cc2 1P008UPG [2,0,0,0,0,0|2,0,0]=4 41 B12R2.246 Brc1nc2nc[nH]c2c(=O)[nH]1 1P003H2R [2,0,0,0,0,0|1,0,1]=4 42 B12R2.246 Nc1nc2nc[nH]c2c(=O)[nH]1 1P0038XK [2,0,0,0,0,0|1,0,1]=4 43 B12R2.246 Nc1nc2nc[nH]c2c(=O)[nH]1 1P003GSU [2,0,0,0,0,0|1,0,1]=4 44 B12R2.246 Nc1nc2nc[nH]c2c(=O)[nH]1 1P003RAD [2,0,0,0,0,0|1,0,1]=4 45 B12R2.246 O=c1[nH]c(=O)c2c([nH]1)[nH]cn2 1P000PQ7 [2,0,0,0,0,0|0,0,2]=4 46 B12R2.246 O=c1[nH]c(=O)c2c([nH]1)cc[nH]2 1P003EVN [2,0,0,0,0,0|1,0,0]=3 47 B12R2.246 O=c1[nH]c(=O)c2c([nH]1)ccs2 1P001TH7 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.246 O=c1[nH]c(=O)c2c([nH]1)cn[nH]2 1P00CLH6 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.246 O=c1[nH]c(=O)c2c([nH]1)nc[nH]2 1P003719 [2,0,0,0,0,0|0,0,0]=2 50 B12R2.246 O=c1[nH]c(=O)c2c([nH]1)scn2 1P00DKC2 [2,0,0,0,0,0|1,0,1]=4 51 B12R2.246 O=c1[nH]c(=O)n2c([nH]1)ncc2 1P005OYK [2,0,0,0,0,0|2,0,0]=4 52 B12R2.246 O=c1nc(N)c2c([nH]1)nc[nH]2 1P0034S9 [2,0,0,0,0,0|1,0,1]=4 53 B14R1.5287 O=CNc1c(N)n(C)c(=O)n(c1=O)C 1P008PDU [0,1,1,0,0,0|1,0,0]=3 54 B14R1.1123 O=NN(c1ncn(c1C(=O)NC)C)C 1P00B835 [0,1,1,0,0,0|1,0,0]=3 55 B14R2.2925 Clc1nc2c([nH]1)c(=O)n(c(=O)[nH]2)C 1P00EK5F [1,1,0,0,0,0|0,0,0]=2 56 B14R2.24376 Cn1cnc2c1c(=O)n(c(=O)[nH]2)C 1P003U0O [1,1,0,0,0,0|0,0,0]=2 57 B14R2.24376 Cn1ncc2c1c(=O)n(c(=O)[nH]2)C 1P01XD40 [1,1,0,0,0,0|2,0,0]=4 58 B14R2.3994 CCn1c(=O)[nH]c(=O)c2c1nc[nH]2 1P00CUTK [1,1,0,0,0,0|0,0,0]=2 59 B14R2.5745 Cn1cnc2c1c(=O)[nH]c(=O)n2C 1P008J2G [1,1,0,0,0,0|0,0,0]=2 60 B14R2.9026 Brc1[nH]c2c(n1)n(C)c(=O)[nH]c2=O 1P0038ZR [1,1,0,0,0,0|0,0,0]=2 61 B14R2.9026 Clc1nc2c([nH]1)n(C)c(=O)[nH]c2=O 1P01DMZF [1,1,0,0,0,0|0,0,2]=4 62 B14R2.9026 Nc1[nH]c2c(n1)n(C)c(=O)[nH]c2=O 1P01DW2L [1,1,0,0,0,0|0,0,0]=2 63 B16R2.22899 Clc1ccnc2c1c(=O)n(c(=O)n2C)C 1P01DTUR [0,1,0,0,0,1|1,0,0]=3 64 B16R2.22899 Nc1ncnc2c1c(=O)n(c(=O)n2C)C 1P005W55 [0,1,0,0,0,1|0,0,1]=3 65 B16R2.133343 Nc1ccc2c(c1)n(C)c(=O)n(c2=O)C 1P01BJ4K [0,1,0,0,0,1|2,0,0]=4 66 B16R2.133343 Nc1cnc2c(c1)c(=O)n(c(=O)n2C)C 1P007SUE [0,1,0,0,0,1|1,0,0]=3 67 B16R2.133343 Oc1ccc2c(c1)c(=O)n(c(=O)n2C)C 1P00HS16 [0,1,0,0,0,1|2,0,0]=4 68 B16R2.218421 Brc1nc2c(n1C)n(C)c(=O)n(c2=O)C 1P0287RA [0,2,0,0,0,0|0,0,2]=4 69 B16R2.218421 Cc1nc2c(n1C)c(=O)n(c(=O)n2C)C 1P004UPM [0,2,0,0,0,0|0,0,0]=2 70 B16R2.218421 Clc1nc2c(n1C)c(=O)n(c(=O)n2C)C 1P0071JJ [0,2,0,0,0,0|0,0,0]=2 71 B16R2.218421 Cn1c(=O)[nH]c2c1c(=O)n(c(=O)n2C)C 1P0037R6 [0,2,0,0,0,0|0,0,1]=3 72 B16R2.218421 Cn1c(=S)[nH]c2c1c(=O)n(c(=O)n2C)C 1P00274X [0,2,0,0,0,0|0,0,1]=3 73 B16R2.187637 ClCc1nc2c([nH]1)n(C)c(=O)n(c2=O)C 1P019LVT [0,2,0,0,0,0|0,0,2]=4 74 B16R2.187637 OCc1nc2c([nH]1)n(C)c(=O)n(c2=O)C 1P002WXH [0,2,0,0,0,0|0,0,2]=4 75 B14R2.7724 O=c1[nH]c(=O)n(c2c1cccc2)C 1P00EEFT [1,0,0,0,0,1|2,0,0]=4 76 B14R2.7724 O=c1[nH]c(=O)n(c2c1cccn2)C 1P001IBZ [1,0,0,0,0,1|1,0,0]=3