0 B12R1.252 CC(=O)NCCc1ccccc1 1P003SVL [0,0,0,0,0,0|3,0,1]=4 1 B12R1.252 NC(=N)CCCc1ccccc1 1P01OUQG [0,0,0,0,0,0|2,0,1]=3 2 B12R1.252 NC(=N)COCc1ccccc1 1P00BMIX [0,0,0,0,0,0|2,0,1]=3 3 B12R1.252 NC(=N)CSCc1ccccc1 1P01B1SE [0,0,0,0,0,0|2,0,1]=3 4 B12R1.252 NC(=N)NCCc1cccnc1 1P01EI94 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.252 NC(=N)N\N=C\c1ccccc1 1P005DUU [0,0,0,0,0,0|0,0,0]=0 6 B12R1.252 NC(=O)CCNc1ccccc1 1P002L3F [0,0,0,0,0,0|4,0,0]=4 7 B12R1.252 NC(=O)CNCc1ccccc1 1P00C7ZJ [0,0,0,0,0,0|2,0,2]=4 8 B12R1.252 NC(=O)COCc1ccccc1 1P00IAQR [0,0,0,0,0,0|3,0,1]=4 9 B12R1.252 NC(=O)NCCc1ccccc1 1P00BVLQ [0,0,0,0,0,0|2,0,1]=3 10 B12R1.252 NC(=O)NCCc1ccccn1 1P01A9JG [0,0,0,0,0,0|3,0,1]=4 11 B12R1.252 NC(=O)NCCc1cccnc1 1P01AHPB [0,0,0,0,0,0|3,0,1]=4 12 B12R1.252 NC(=O)NOCc1ccccc1 1P002A6F [0,0,0,0,0,0|2,0,1]=3 13 B12R1.252 NC(=S)CCCc1ccccc1 1P0025WL [0,0,0,0,0,0|3,0,1]=4 14 B12R1.252 NC(=S)COCc1ccccc1 1P01AHUB [0,0,0,0,0,0|3,0,1]=4 15 B12R1.252 NC(=S)NCCc1ccccc1 1P003SQO [0,0,0,0,0,0|2,0,1]=3 16 B12R1.252 NC(=S)NCCc1ccccn1 1P0022GD [0,0,0,0,0,0|3,0,1]=4 17 B12R1.252 N\C(=N\N=C/c1ccccn1)\S 1P00CWRB [0,0,0,0,0,0|2,0,1]=3 18 B12R1.252 OC(=O)CC=Cc1ccccc1 1P00389C [0,0,0,0,0,0|4,0,0]=4 19 B12R1.252 OC(=O)C\C=C\c1ccccc1 1P002FOF [0,0,0,0,0,0|4,0,0]=4 20 B11R1.28 Br\C=C\C=C\c1ccccc1 1P002HTE [1,0,0,0,0,0|3,0,0]=4 21 B11R1.28 O=CNCCc1ccccc1 1P002ML7 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.45 NC(=NNC(=O)N)c1ccncc1 1P01AGFW [0,1,0,0,0,0|2,0,0]=3 23 B13R1.45 NC(=O)NN=C(c1cccnc1)C 1P01AADF [0,1,0,0,0,0|2,0,0]=3 24 B13R1.45 O=C(c1ccccc1)NCC(=S)N 1P00DMB8 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.45 O=C(c1ccccc1)NNC(=O)C 1P009IT5 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.45 OC(c1ccccc1)CNC(=O)N 1P002QNS [0,1,0,0,0,0|2,0,1]=4 27 B13R1.149 NC(=O)NCCc1cccc(c1)O 1P01DJK1 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.158 NC(=N)NCCc1ccccc1F 1P01EKKH [0,1,0,0,0,0|1,0,1]=3 29 B13R1.158 NC(=N)NN=Cc1ccccc1Br 1P01A4XN [0,1,0,0,0,0|0,0,0]=1 30 B13R1.158 NC(=N)NN=Cc1ccccc1Cl 1P000VON [0,1,0,0,0,0|0,0,0]=1 31 B13R1.158 NC(=O)NN=Cc1ccccc1O 1P00301X [0,1,0,0,0,0|1,0,0]=2 32 B13R1.158 NC(=S)NN=Cc1ccccc1Cl 1P019X1G [0,1,0,0,0,0|1,0,0]=2 33 B13R1.158 NC(=S)NN=Cc1ncccc1N 1P00BIA1 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.158 NC(=S)N\N=C\c1ncccc1N 1P007Z5W [0,1,0,0,0,0|2,0,0]=3 35 B13R1.348 N=C(Nc1ccccc1)NC(=N)N 1P0006OZ [0,1,0,0,0,0|2,0,0]=3 36 B13R1.348 N=C(Nc1ccccc1)NC(=N)N 1P003TS0 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.348 O=C(Oc1ccccc1)NC(=O)N 1P028FSM [0,1,0,0,0,0|3,0,0]=4 38 B13R1.513 NC(=N)SCCc1ccc(cc1)Cl 1P01C26L [0,1,0,0,0,0|2,0,1]=4 39 B13R1.513 NC(=S)N\N=C\c1ccc(cc1)O 1P0169WE [0,1,0,0,0,0|1,0,0]=2 40 B13R1.718 COC(=O)C\N=C\c1ccccc1 1P00FCM7 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.718 NCC(=O)NCCc1ccccc1 1P01A8BG [0,1,0,0,0,0|2,0,1]=4 42 B13R1.718 NNC(=S)NCCc1ccccc1 1P00C1OF [0,1,0,0,0,0|2,0,1]=4 43 B13R1.718 ON=C(CCCc1ccccc1)N 1P01A8EY [0,1,0,0,0,0|2,0,1]=4 44 B13R2.10 Brc1[nH]nc(c1)c2ccncc2 1P028NMQ [0,0,0,1,0,0|3,0,0]=4 45 B13R2.10 Brc1[nH]nc(n1)c2ccccc2 1P001Q65 [0,0,0,1,0,0|1,0,0]=2 46 B13R2.10 Brc1cnc([nH]1)c2ccncc2 1P000RIT [0,0,0,1,0,0|3,0,0]=4 47 B13R2.10 Brc1cnc(o1)c2ccccc2 1P006G7Q [0,0,0,1,0,0|3,0,0]=4 48 B13R2.10 Brc1cnc(s1)c2ccccc2 1P00DAKE [0,0,0,1,0,0|3,0,0]=4 49 B13R2.10 Brc1cnn(n1)c2ccccc2 1P028Y3N [0,0,0,1,0,0|3,0,0]=4 50 B13R2.10 Brc1coc(n1)c2ccccc2 1P00H1I0 [0,0,0,1,0,0|3,0,0]=4 51 B13R2.10 Brc1csc(n1)c2ccccc2 1P009D54 [0,0,0,1,0,0|3,0,0]=4 52 B13R2.10 Brc1ncc([nH]1)c2ccccc2 1P021TVQ [0,0,0,1,0,0|2,0,1]=4 53 B13R2.10 Brc1nnc(o1)c2ccccc2 1P00DL8M [0,0,0,1,0,0|2,0,1]=4 54 B13R2.10 Brc1nnc(s1)c2ccccc2 1P00DDAI [0,0,0,1,0,0|2,0,1]=4 55 B13R2.10 Brc1noc(n1)c2ccccc2 1P002NOM [0,0,0,1,0,0|2,0,1]=4 56 B13R2.10 Brc1nsc(n1)c2ccccc2 1P008UK5 [0,0,0,1,0,0|2,0,1]=4 57 B13R2.10 Brc1occ(n1)c2ccccc2 1P008UHE [0,0,0,1,0,0|3,0,0]=4 58 B13R2.10 Brc1onc(c1)c2ccccc2 1P00C7SQ [0,0,0,1,0,0|3,0,0]=4 59 B13R2.10 Brc1onc(n1)c2ccccc2 1P000T1X [0,0,0,1,0,0|2,0,0]=3 60 B13R2.10 Brc1scc(n1)c2ccccc2 1P00EDK3 [0,0,0,1,0,0|3,0,0]=4 61 B13R2.10 Brc1snc(n1)c2ccccc2 1P00VVXX [0,0,0,1,0,0|2,0,0]=3 62 B13R2.10 Cc1[nH]nc(c1)c2ccccn2 1P002CNM [0,0,0,1,0,0|3,0,0]=4 63 B13R2.10 Cc1[nH]nc(c1)c2cccnc2 1P01KJEK [0,0,0,1,0,0|3,0,0]=4 64 B13R2.10 Cc1c[nH]c(n1)c2ccccc2 1P003M73 [0,0,0,1,0,0|2,0,1]=4 65 B13R2.10 Cc1coc(n1)c2ccccc2 1P004J5I [0,0,0,1,0,0|3,0,0]=4 66 B13R2.10 Cc1n[nH]c(n1)c2ccccc2 1P00CNPX [0,0,0,1,0,0|1,0,2]=4 67 B13R2.10 Cc1ncc([nH]1)c2ccccc2 1P0013OY [0,0,0,1,0,0|2,0,1]=4 68 B13R2.10 Cc1nnc([nH]1)c2ccccn2 1P003BCI [0,0,0,1,0,0|2,0,1]=4 69 B13R2.10 Cc1nnc(o1)c2ccccc2 1P00CM1I [0,0,0,1,0,0|2,0,1]=4 70 B13R2.10 Cc1noc(n1)c2ccccc2 1P000QB0 [0,0,0,1,0,0|2,0,1]=4 71 B13R2.10 Cc1onc(c1)c2ccccc2 1P009RAC [0,0,0,1,0,0|3,0,0]=4 72 B13R2.10 Cc1onc(n1)c2ccccc2 1P000Q56 [0,0,0,1,0,0|2,0,0]=3 73 B13R2.10 Cc1onc(n1)c2cccnc2 1P009RTU [0,0,0,1,0,0|3,0,0]=4 74 B13R2.10 Cc1onc(n1)c2ccncc2 1P007XXH [0,0,0,1,0,0|3,0,0]=4 75 B13R2.10 Cc1scc(n1)c2ccccc2 1P0024GO [0,0,0,1,0,0|3,0,0]=4 76 B13R2.10 Clc1[nH]nc(n1)c2ccccn2 1P01E8MX [0,0,0,1,0,0|2,0,0]=3 77 B13R2.10 Clc1nnc([nH]1)c2ccccc2 1P01BJIN [0,0,0,1,0,0|1,0,1]=3 78 B13R2.10 Clc1nnc(o1)c2ccccc2 1P001G2P [0,0,0,1,0,0|2,0,1]=4 79 B13R2.10 Clc1nnc(s1)c2ccccc2 1P007NFH [0,0,0,1,0,0|2,0,1]=4 80 B13R2.10 Clc1noc(n1)c2ccccc2 1P00C2FZ [0,0,0,1,0,0|2,0,1]=4 81 B13R2.10 Clc1onc(c1)c2ccccc2 1P00CM36 [0,0,0,1,0,0|3,0,0]=4 82 B13R2.10 Clc1onc(n1)c2ccccc2 1P00G4XN [0,0,0,1,0,0|2,0,0]=3 83 B13R2.10 Clc1scc(n1)c2ccccc2 1P0024GJ [0,0,0,1,0,0|3,0,0]=4 84 B13R2.10 Clc1snc(n1)c2ccccc2 1P00BO24 [0,0,0,1,0,0|2,0,0]=3 85 B13R2.10 Ic1occ(n1)c2ccccc2 1P01DVJ6 [0,0,0,1,0,0|3,0,0]=4 86 B13R2.10 Ic1snc(n1)c2ccccc2 1P0285K8 [0,0,0,1,0,0|2,0,0]=3 87 B13R2.10 N=c1o[nH]c(n1)c2ccccc2 1P00COWA [0,0,0,1,0,0|1,0,2]=4 88 B13R2.10 N=c1occ([nH]1)c2ccccc2 1P00CMLL [0,0,0,1,0,0|2,0,0]=3 89 B13R2.10 NC1=NN(CC1)c2ccccc2 1P003JBS [0,0,0,1,0,0|3,0,0]=4 90 B13R2.10 Nc1[nH]cc(n1)c2cccnc2 1P0293KU [0,0,0,1,0,0|2,0,0]=3 91 B13R2.10 Nc1[nH]cc(n1)c2ccncc2 1P007G7J [0,0,0,1,0,0|2,0,0]=3 92 B13R2.10 Nc1[nH]nc(c1)c2ccccc2 1P008JL5 [0,0,0,1,0,0|1,0,0]=2 93 B13R2.10 Nc1[nH]nc(c1)c2ccccn2 1P00GSJX [0,0,0,1,0,0|2,0,0]=3 94 B13R2.10 Nc1[nH]nc(c1)c2ccccn2 1P00J1OL [0,0,0,1,0,0|2,0,0]=3 95 B13R2.10 Nc1[nH]nc(c1)c2cccnc2 1P00J1OH [0,0,0,1,0,0|2,0,0]=3 96 B13R2.10 Nc1[nH]nc(c1)c2cccnc2 1P01A8BT [0,0,0,1,0,0|2,0,0]=3 97 B13R2.10 Nc1[nH]nc(c1)c2ccncc2 1P003903 [0,0,0,1,0,0|2,0,0]=3 98 B13R2.10 Nc1[nH]nc(n1)c2ccncc2 1P007A4R [0,0,0,1,0,0|1,0,0]=2 99 B13R2.10 Nc1ccc(s1)c2ccccc2 1P001FKF [0,0,0,1,0,0|3,0,0]=4 100 B13R2.10 Nc1ccn(n1)c2ccccc2 1P0039FF [0,0,0,1,0,0|3,0,0]=4 101 B13R2.10 Nc1ccn(n1)c2ccccc2 1P00A1BR [0,0,0,1,0,0|3,0,0]=4 102 B13R2.10 Nc1cnn(c1)c2ccccc2 1P0095OB [0,0,0,1,0,0|3,0,0]=4 103 B13R2.10 Nc1cnn(n1)c2ccccc2 1P00D4DL [0,0,0,1,0,0|2,0,0]=3 104 B13R2.10 Nc1cnn(n1)c2ccccn2 1P028JZ9 [0,0,0,1,0,0|3,0,0]=4 105 B13R2.10 Nc1cnn(n1)c2cccnc2 1P0289I1 [0,0,0,1,0,0|3,0,0]=4 106 B13R2.10 Nc1csc(c1)c2ccccc2 1P00G66H [0,0,0,1,0,0|3,0,0]=4 107 B13R2.10 Nc1csc(n1)c2ccccc2 1P01C6XM [0,0,0,1,0,0|2,0,0]=3 108 B13R2.10 Nc1csc(n1)c2ccccn2 1P01A5QI [0,0,0,1,0,0|3,0,0]=4 109 B13R2.10 Nc1csc(n1)c2ccncc2 1P01ACEY [0,0,0,1,0,0|3,0,0]=4 110 B13R2.10 Nc1n[nH]c(c1)c2ccccc2 1P001PR6 [0,0,0,1,0,0|1,0,2]=4 111 B13R2.10 Nc1ncc([nH]1)c2ccccc2 1P00373G [0,0,0,1,0,0|1,0,2]=4 112 B13R2.10 Nc1ncc([nH]1)c2ccccc2 1P00HZ1P [0,0,0,1,0,0|1,0,2]=4 113 B13R2.10 Nc1ncc(o1)c2ccccc2 1P005LYI [0,0,0,1,0,0|2,0,1]=4 114 B13R2.10 Nc1ncc(s1)c2ccccc2 1P0033KK [0,0,0,1,0,0|2,0,1]=4 115 B13R2.10 Nc1ncn(n1)c2ccccc2 1P01A5Q8 [0,0,0,1,0,0|2,0,1]=4 116 B13R2.10 Nc1nnc([nH]1)c2ccccc2 1P0037O2 [0,0,0,1,0,0|0,0,2]=3 117 B13R2.10 Nc1nnc([nH]1)c2ccccn2 1P004S9Z [0,0,0,1,0,0|1,0,2]=4 118 B13R2.10 Nc1nnc([nH]1)c2cccnc2 1P00CJHR [0,0,0,1,0,0|1,0,2]=4 119 B13R2.10 Nc1nnc(o1)c2ccccc2 1P001SPW [0,0,0,1,0,0|1,0,1]=3 120 B13R2.10 Nc1nnc(o1)c2ccccc2 1P002F2N [0,0,0,1,0,0|1,0,1]=3 121 B13R2.10 Nc1nnc(o1)c2ccccn2 1P00EE70 [0,0,0,1,0,0|2,0,1]=4 122 B13R2.10 Nc1nnc(o1)c2cccnc2 1P00EE8G [0,0,0,1,0,0|2,0,1]=4 123 B13R2.10 Nc1nnc(o1)c2ccncc2 1P0068PD [0,0,0,1,0,0|2,0,1]=4 124 B13R2.10 Nc1nnc(s1)c2ccccc2 1P002D2X [0,0,0,1,0,0|1,0,1]=3 125 B13R2.10 Nc1nnc(s1)c2ccccn2 1P00CDOS [0,0,0,1,0,0|2,0,1]=4 126 B13R2.10 Nc1nnc(s1)c2cccnc2 1P00FB4M [0,0,0,1,0,0|2,0,1]=4 127 B13R2.10 Nc1nnc(s1)c2ccncc2 1P002D2W [0,0,0,1,0,0|2,0,1]=4 128 B13R2.10 Nc1nnn(c1)c2ccccc2 1P01A4HP [0,0,0,1,0,0|2,0,1]=4 129 B13R2.10 Nc1noc(c1)c2ccccc2 1P00ED81 [0,0,0,1,0,0|2,0,1]=4 130 B13R2.10 Nc1noc(n1)c2ccccc2 1P005F7E [0,0,0,1,0,0|1,0,1]=3 131 B13R2.10 Nc1nsc(n1)c2ccccc2 1P007M70 [0,0,0,1,0,0|1,0,1]=3 132 B13R2.10 Nc1occ(n1)c2ccccc2 1P000AGC [0,0,0,1,0,0|2,0,0]=3 133 B13R2.10 Nc1occ(n1)c2ccccn2 1P01RGXG [0,0,0,1,0,0|3,0,0]=4 134 B13R2.10 Nc1onc(c1)c2ccccc2 1P0073LT [0,0,0,1,0,0|2,0,0]=3 135 B13R2.10 Nc1onc(c1)c2cccnc2 1P00BVE1 [0,0,0,1,0,0|3,0,0]=4 136 B13R2.10 Nc1onc(c1)c2ccncc2 1P002BM0 [0,0,0,1,0,0|3,0,0]=4 137 B13R2.10 Nc1onc(n1)c2cccnc2 1P01A9RH [0,0,0,1,0,0|2,0,0]=3 138 B13R2.10 Nc1scc(c1)c2ccccc2 1P00FHWQ [0,0,0,1,0,0|3,0,0]=4 139 B13R2.10 Nc1scc(n1)c2ccccc2 1P002DLW [0,0,0,1,0,0|2,0,0]=3 140 B13R2.10 Nc1scc(n1)c2ccccn2 1P002ZSY [0,0,0,1,0,0|3,0,0]=4 141 B13R2.10 Nc1scc(n1)c2cccnc2 1P002ZSX [0,0,0,1,0,0|3,0,0]=4 142 B13R2.10 Nc1scc(n1)c2ccncc2 1P002ZSW [0,0,0,1,0,0|3,0,0]=4 143 B13R2.10 Nc1snc(c1)c2ccccc2 1P001I6V [0,0,0,1,0,0|2,0,0]=3 144 B13R2.10 Nc1snc(c1)c2ccccn2 1P028K53 [0,0,0,1,0,0|3,0,0]=4 145 B13R2.10 Nc1snc(c1)c2ccccn2 1P028KE1 [0,0,0,1,0,0|3,0,0]=4 146 B13R2.10 Nc1snc(n1)c2ccccc2 1P0020BN [0,0,0,1,0,0|1,0,0]=2 147 B13R2.10 Nc1snc(n1)c2ccccn2 1P00199F [0,0,0,1,0,0|2,0,0]=3 148 B13R2.10 Nc1snc(n1)c2cccnc2 1P006XLU [0,0,0,1,0,0|2,0,0]=3 149 B13R2.10 Nc1snc(n1)c2ccncc2 1P007G8D [0,0,0,1,0,0|2,0,0]=3 150 B13R2.10 Nc1snc(n1)c2ncccn2 1P00199D [0,0,0,1,0,0|3,0,0]=4 151 B13R2.10 O=C1CN=C(N1)c2ccccc2 1P01BVJD [0,0,0,1,0,0|2,0,0]=3 152 B13R2.10 O=C1CN=C(O1)c2ccccc2 1P000QAZ [0,0,0,1,0,0|3,0,0]=4 153 B13R2.10 O=C1NCC(=C1)c2ccccc2 1P01C698 [0,0,0,1,0,0|3,0,0]=4 154 B13R2.10 O=C1NCC(N1)c2ccccc2 1P00C3FD [0,0,0,1,0,0|2,0,1]=4 155 B13R2.10 O=C1NN=C(C1)c2cccnc2 1P028Q9Z [0,0,0,1,0,0|3,0,0]=4 156 B13R2.10 O=c1[nH][nH]c(c1)c2ccccc2 1P00C3GZ [0,0,0,1,0,0|2,0,1]=4 157 B13R2.10 O=c1[nH]cc([nH]1)c2ccccc2 1P0062HW [0,0,0,1,0,0|2,0,0]=3 158 B13R2.10 O=c1[nH]cc(s1)c2ccccc2 1P00GKQG [0,0,0,1,0,0|3,0,0]=4 159 B13R2.10 O=c1[nH]nc([nH]1)c2ccccn2 1P01BAI4 [0,0,0,1,0,0|2,0,0]=3 160 B13R2.10 O=c1[nH]nc([nH]1)c2cccnc2 1P00EKSF [0,0,0,1,0,0|2,0,0]=3 161 B13R2.10 O=c1[nH]nc([nH]1)c2ccncc2 1P00H8LA [0,0,0,1,0,0|2,0,0]=3 162 B13R2.10 O=c1[nH]nc(o1)c2ccccc2 1P000QAY [0,0,0,1,0,0|2,0,0]=3 163 B13R2.10 O=c1[nH]nc(o1)c2cccnc2 1P01AASK [0,0,0,1,0,0|3,0,0]=4 164 B13R2.10 O=c1[nH]nc(s1)c2ccccc2 1P006Y2Y [0,0,0,1,0,0|2,0,0]=3 165 B13R2.10 O=c1[nH]nc(s1)c2ccncc2 1P007O0B [0,0,0,1,0,0|3,0,0]=4 166 B13R2.10 O=c1[nH]oc(n1)c2ccccc2 1P002LGX [0,0,0,1,0,0|2,0,0]=3 167 B13R2.10 O=c1o[nH]c(n1)c2ccccc2 1P001DOK [0,0,0,1,0,0|2,0,1]=4 168 B13R2.10 O=c1onc([nH]1)c2ccccn2 1P01A8ZD [0,0,0,1,0,0|3,0,0]=4 169 B13R2.10 O=c1onc(o1)c2ccccc2 1P0201WC [0,0,0,1,0,0|3,0,0]=4 170 B13R2.10 O=c1scc([nH]1)c2ccccc2 1P0078HZ [0,0,0,1,0,0|3,0,0]=4 171 B13R2.10 Oc1[nH]nc(c1)c2ccccc2 1P006X5Y [0,0,0,1,0,0|2,0,0]=3 172 B13R2.10 Oc1[nH]nc(n1)c2ccccc2 1P019W9Z [0,0,0,1,0,0|1,0,0]=2 173 B13R2.10 Oc1cnc(s1)c2ccccc2 1P01BIAT [0,0,0,1,0,0|3,0,0]=4 174 B13R2.10 Oc1cnn(n1)c2ccccc2 1P0283WG [0,0,0,1,0,0|3,0,0]=4 175 B13R2.10 S=c1[nH]cc([nH]1)c2ccccc2 1P00FC90 [0,0,0,1,0,0|2,0,0]=3 176 B13R2.10 S=c1[nH]cc(o1)c2ccccc2 1P001WBR [0,0,0,1,0,0|3,0,0]=4 177 B13R2.10 S=c1[nH]nc(o1)c2ccccc2 1P003NEU [0,0,0,1,0,0|2,0,0]=3 178 B13R2.10 S=c1o[nH]c(n1)c2ccccc2 1P002MUK [0,0,0,1,0,0|2,0,1]=4 179 B13R2.10 S=c1occ([nH]1)c2ccccc2 1P001ZLK [0,0,0,1,0,0|3,0,0]=4 180 B13R2.10 S=c1s[nH]c(n1)c2ccccc2 1P002DDJ [0,0,0,1,0,0|2,0,1]=4 181 B13R2.10 S=c1scc([nH]1)c2ccccc2 1P002L5D [0,0,0,1,0,0|3,0,0]=4 182 B13R2.10 Sc1n[nH]c(n1)c2ccccc2 1P003NEV [0,0,0,1,0,0|1,0,2]=4 183 B13R2.10 Sc1nnc(s1)c2ccccc2 1P00DAUW [0,0,0,1,0,0|2,0,1]=4 184 B13R2.10 Sc1onc(n1)c2ccccn2 1P01AK0W [0,0,0,1,0,0|3,0,0]=4 185 B13R2.10 Sc1onc(n1)c2cccnc2 1P01A51T [0,0,0,1,0,0|3,0,0]=4 186 B13R2.72 CC(=O)n1ccc2c1cccc2 1P00IAPX [0,0,0,1,0,0|3,0,0]=4 187 B13R2.72 CC(=O)n1ncc2c1cccc2 1P009DHT [0,0,0,1,0,0|2,0,0]=3 188 B13R2.72 CC(=O)n1ncc2c1cncc2 1P00DCAD [0,0,0,1,0,0|3,0,0]=4 189 B13R2.72 CC(=O)n1nnc2c1cccc2 1P002GXH [0,0,0,1,0,0|3,0,0]=4 190 B13R2.72 ClC(=O)n1ncc2c1cccc2 1P028Y2M [0,0,0,1,0,0|2,0,0]=3 191 B13R2.72 NC(=N)C1COc2c1cccc2 1P01C5VU [0,0,0,1,0,0|3,0,0]=4 192 B13R2.72 NC(=N)N1CCc2c1cccc2 1P01BEAW [0,0,0,1,0,0|1,0,1]=3 193 B13R2.72 NC(=N)c1c[nH]c2c1cccc2 1P00J1O0 [0,0,0,1,0,0|3,0,0]=4 194 B13R2.72 NC(=N)n1nnc2c1cccc2 1P001UWM [0,0,0,1,0,0|1,0,0]=2 195 B13R2.72 NC(=N)n1nnc2c1cccc2 1P00ADT8 [0,0,0,1,0,0|1,0,0]=2 196 B13R2.72 NC(=O)N1CCc2c1cccc2 1P00EY0W [0,0,0,1,0,0|2,0,1]=4 197 B13R2.72 NC(=O)c1n[nH]c2c1cccc2 1P003EUY [0,0,0,1,0,0|3,0,0]=4 198 B13R2.72 NC(=O)c1nsc2c1cccc2 1P001Y8I [0,0,0,1,0,0|3,0,0]=4 199 B13R2.72 NC(=O)n1ccc2c1nccc2 1P023Q4L [0,0,0,1,0,0|3,0,0]=4 200 B13R2.72 NC(=O)n1nnc2c1cccc2 1P00EJSN [0,0,0,1,0,0|2,0,0]=3 201 B13R2.72 NC(=S)N1CCc2c1cccc2 1P00EELV [0,0,0,1,0,0|2,0,1]=4 202 B13R2.72 NC(=S)c1n[nH]c2c1cccc2 1P002WU6 [0,0,0,1,0,0|3,0,0]=4 203 B13R2.163 O=C1NC=Cc2c(C1)cccc2 1P003EU3 [0,0,0,1,0,0|3,0,0]=4 204 B13R2.163 O=C1NCCc2c(N1)cccc2 1P00CJIB [0,0,0,1,0,0|2,0,1]=4 205 B13R2.3122 O=S1(=O)NN=Cc2c1cccc2 1P00BT5A [0,0,0,1,0,0|3,0,0]=4 206 B11R1.91 CC(=N)NCc1ccccc1 1P00AQS6 [0,0,0,0,1,0|1,0,1]=3 207 B11R1.91 CC(=O)C=Cc1ccccc1 1P0016ZQ [0,0,0,0,1,0|3,0,0]=4 208 B11R1.91 CC(=O)NCc1ccccc1 1P003T87 [0,0,0,0,1,0|2,0,1]=4 209 B11R1.91 CC(=O)NNc1ccccc1 1P000AQR [0,0,0,0,1,0|2,0,1]=4 210 B11R1.91 CC(=O)\C=C\c1ccccc1 1P002E97 [0,0,0,0,1,0|3,0,0]=4 211 B11R1.91 ClC(=O)C=Cc1ccccc1 1P0006PX [0,0,0,0,1,0|3,0,0]=4 212 B11R1.91 ClC(=O)\C=C\c1ccccc1 1P00ACFX [0,0,0,0,1,0|3,0,0]=4 213 B11R1.91 NC(=N)CCc1ccccc1 1P00CD5C [0,0,0,0,1,0|1,0,1]=3 214 B11R1.91 NC(=N)COc1ccccc1 1P003IB1 [0,0,0,0,1,0|2,0,0]=3 215 B11R1.91 NC(=N)CSc1ccccc1 1P004RQX [0,0,0,0,1,0|2,0,0]=3 216 B11R1.91 NC(=N)NCc1ccccc1 1P00HE8W [0,0,0,0,1,0|0,0,1]=2 217 B11R1.91 NC(=N)NCc1ccccc1 1P00J2IU [0,0,0,0,1,0|0,0,1]=2 218 B11R1.91 NC(=N)NCc1cccnc1 1P00J1YL [0,0,0,0,1,0|1,0,1]=3 219 B11R1.91 NC(=N)NCc1ccncc1 1P00BIK2 [0,0,0,0,1,0|1,0,1]=3 220 B11R1.91 NC(=N)NCc1ccncc1 1P01BRLV [0,0,0,0,1,0|1,0,1]=3 221 B11R1.91 NC(=N)SCc1ccccc1 1P00394W [0,0,0,0,1,0|1,0,1]=3 222 B11R1.91 NC(=N)[NH2+]Cc1ccccc1 1P0070M0 [0,0,0,0,1,0|0,0,2]=3 223 B11R1.91 NC(=NCc1ccccc1)N 1P01AJFT [0,0,0,0,1,0|0,0,2]=3 224 B11R1.91 NC(=O)C#Cc1ccccc1 1P00697N [0,0,0,0,1,0|2,0,1]=4 225 B11R1.91 NC(=O)C=Cc1ccccc1 1P00352M [0,0,0,0,1,0|2,0,0]=3 226 B11R1.91 NC(=O)CCc1ccccc1 1P0006PW [0,0,0,0,1,0|2,0,1]=4 227 B11R1.91 NC(=O)CNc1ccccc1 1P00C37C [0,0,0,0,1,0|2,0,1]=4 228 B11R1.91 NC(=O)COc1ccccc1 1P00EASD [0,0,0,0,1,0|3,0,0]=4 229 B11R1.91 NC(=O)CSc1ccccc1 1P00BJGD [0,0,0,0,1,0|3,0,0]=4 230 B11R1.91 NC(=O)NCc1ccccc1 1P003OM7 [0,0,0,0,1,0|1,0,1]=3 231 B11R1.91 NC(=O)NCc1ccccn1 1P00IRVC [0,0,0,0,1,0|2,0,1]=4 232 B11R1.91 NC(=O)NCc1cccnc1 1P00CKKY [0,0,0,0,1,0|2,0,1]=4 233 B11R1.91 NC(=O)NCc1ccncc1 1P01A9GM [0,0,0,0,1,0|2,0,1]=4 234 B11R1.91 NC(=O)NNc1ccccc1 1P003F3K [0,0,0,0,1,0|1,0,1]=3 235 B11R1.91 NC(=O)OCc1ccccc1 1P00IBFU [0,0,0,0,1,0|2,0,1]=4 236 B11R1.91 NC(=O)\C=C/c1ccccc1 1P0076YW [0,0,0,0,1,0|2,0,0]=3 237 B11R1.91 NC(=O)\C=C\c1ccccc1 1P00352N [0,0,0,0,1,0|2,0,0]=3 238 B11R1.91 NC(=S)CCc1ccccc1 1P006QBP [0,0,0,0,1,0|2,0,1]=4 239 B11R1.91 NC(=S)COc1ccccc1 1P003IBE [0,0,0,0,1,0|3,0,0]=4 240 B11R1.91 NC(=S)NCc1ccccc1 1P003OLU [0,0,0,0,1,0|1,0,1]=3 241 B11R1.91 NC(=S)NCc1ccccc1 1P01AKHE [0,0,0,0,1,0|1,0,1]=3 242 B11R1.91 NC(=S)NNc1ccccc1 1P003F2X [0,0,0,0,1,0|1,0,1]=3 243 B11R1.91 OC(=O)C=Cc1ccccc1 1P0037GS [0,0,0,0,1,0|3,0,0]=4 244 B11R1.91 OC(=O)\C=C\c1ccccc1 1P001CDN [0,0,0,0,1,0|3,0,0]=4 245 B11R1.91 [O-]C(=O)C=Cc1ccccc1 1P001VX1 [0,0,0,0,1,0|3,0,0]=4 246 B11R1.91 [O-]C(=O)\C=C\c1ccccc1 1P00IA2C [0,0,0,0,1,0|3,0,0]=4 247 B11R1.91 [S-]C(=S)NCc1ccccc1 1P01EI8C [0,0,0,0,1,0|2,0,1]=4 248 B11R1.172 NC(=S)NN=Cc1cccs1 1P019X1I [0,0,0,0,1,0|2,0,0]=3 249 B13R1.337 NC(=N)CCCOc1ccccc1 1P019Y1A [0,0,0,0,0,1|2,0,1]=4 250 B13R1.337 NC(=O)NCCCc1ccccc1 1P01AAW5 [0,0,0,0,0,1|2,0,1]=4 251 B13R1.337 NC(=S)NCCCc1ccccc1 1P00GVTG [0,0,0,0,0,1|2,0,1]=4 252 B10R1.17 C=C\C=C\c1ccccc1 1P003VC6 [2,0,0,0,0,0|2,0,0]=4 253 B10R1.17 NC\C=C\c1ccccc1 1P00DCH4 [2,0,0,0,0,0|1,0,1]=4 254 B10R1.17 NNCCc1ccccc1 1P001OVR [2,0,0,0,0,0|1,0,1]=4 255 B10R1.17 NNCCc1ccccc1 1P00B63Y [2,0,0,0,0,0|1,0,1]=4 256 B10R1.17 NNCCc1ccccc1 1P00DB0J [2,0,0,0,0,0|1,0,1]=4 257 B10R1.17 NNCCc1ccccc1 1P00I9LM [2,0,0,0,0,0|1,0,1]=4 258 B10R1.17 O=CC=Cc1ccccc1 1P00HAPU [2,0,0,0,0,0|2,0,0]=4 259 B10R1.17 O=CNCc1ccccc1 1P003T8E [2,0,0,0,0,0|1,0,1]=4 260 B10R1.17 O=CNNc1ccccc1 1P00IBGB [2,0,0,0,0,0|1,0,1]=4 261 B10R1.17 O=C\C=C\c1ccccc1 1P001IPM [2,0,0,0,0,0|2,0,0]=4 262 B12R1.30 O=CNCC(=O)c1ccccc1 1P00FGWF [1,1,0,0,0,0|2,0,0]=4 263 B12R1.21 NC(=N)CCc1ccc(cc1)Cl 1P004D2Q [0,1,0,0,1,0|1,0,1]=4 264 B12R1.21 NC(=N)CCc1ccc(cc1)Cl 1P01EM24 [0,1,0,0,1,0|1,0,1]=4 265 B12R1.21 NC(=N)COc1ccc(cc1)Br 1P00J1V8 [0,1,0,0,1,0|2,0,0]=4 266 B12R1.21 NC(=N)NCc1ccc(cc1)N 1P01FM75 [0,1,0,0,1,0|0,0,1]=3 267 B12R1.21 NC(=N)SCc1ccc(cc1)Cl 1P003UMR [0,1,0,0,1,0|1,0,1]=4 268 B12R1.21 NC(=NCc1ccc(cc1)Cl)N 1P01BAFY [0,1,0,0,1,0|0,0,2]=4 269 B12R1.21 NC(=O)C=Cc1ccc(cc1)Cl 1P0023HB [0,1,0,0,1,0|2,0,0]=4 270 B12R1.21 NC(=O)NCc1ccc(cc1)C 1P00DD2R [0,1,0,0,1,0|1,0,1]=4 271 B12R1.21 NC(=O)NCc1ccc(cc1)N 1P00242D [0,1,0,0,1,0|1,0,1]=4 272 B12R1.21 NC(=O)\C=C\c1ccc(cc1)Br 1P00CEQT [0,1,0,0,1,0|2,0,0]=4 273 B12R1.21 NC(=S)NCc1ccc(cc1)Br 1P01A66Q [0,1,0,0,1,0|1,0,1]=4 274 B12R1.21 NC(=S)NCc1ccc(cc1)C 1P008SHU [0,1,0,0,1,0|1,0,1]=4 275 B12R1.21 NC(=S)NCc1ccc(cc1)Cl 1P002Q1H [0,1,0,0,1,0|1,0,1]=4 276 B12R1.21 NC(=S)NCc1ccc(cc1)F 1P00D6D0 [0,1,0,0,1,0|1,0,1]=4 277 B12R1.21 NC(=S)NNc1ccc(cc1)F 1P00I5QF [0,1,0,0,1,0|1,0,1]=4 278 B12R1.43 CN(C(=N)N)Cc1ccccc1 1P00J1YK [0,1,0,0,1,0|0,0,1]=3 279 B12R1.43 CN(C(=N)N)Cc1ccncc1 1P01AVA6 [0,1,0,0,1,0|1,0,1]=4 280 B12R1.43 CN(C(=O)N)Cc1ccccc1 1P019V9I [0,1,0,0,1,0|1,0,1]=4 281 B12R1.43 CN(C(=S)N)Cc1ccccc1 1P00DD9B [0,1,0,0,1,0|1,0,1]=4 282 B12R1.43 NC(=N)N(Cc1ccccn1)C 1P00J1YP [0,1,0,0,1,0|1,0,1]=4 283 B12R1.107 C=C(c1ccccc1)NC(=O)C 1P00F1Z1 [0,1,0,0,1,0|2,0,0]=4 284 B12R1.107 CC(c1ccccc1)NC(=O)N 1P00CN8F [0,1,0,0,1,0|1,0,1]=4 285 B12R1.107 CC(c1ccccc1)NC(=S)N 1P00FCYI [0,1,0,0,1,0|1,0,1]=4 286 B12R1.107 C[C@H](c1ccccc1)NC(=O)N 1P001YK1 [0,1,0,0,1,0|1,0,1]=4 287 B12R1.107 Cl\C(=N/C(=O)Cl)\c1ccccc1 1P028WVM [0,1,0,0,1,0|2,0,0]=4 288 B12R1.107 O=C(c1ccccc1)NC(=N)N 1P00C00O [0,1,0,0,1,0|0,0,0]=2 289 B12R1.107 O=C(c1ccccc1)NC(=O)N 1P003OJV [0,1,0,0,1,0|1,0,0]=3 290 B12R1.107 O=C(c1ccccc1)NC(=S)N 1P003EFQ [0,1,0,0,1,0|1,0,0]=3 291 B12R1.107 O=C(c1ccccc1)\C=C(/N)\C 1P00IS13 [0,1,0,0,1,0|2,0,0]=4 292 B12R1.107 O=C(c1ccncc1)NC(=N)N 1P00EMIJ [0,1,0,0,1,0|1,0,0]=3 293 B12R1.125 NC(=N)COc1ccccc1C 1P019XTZ [0,1,0,0,1,0|2,0,0]=4 294 B12R1.125 NC(=N)COc1ccccc1Cl 1P00EDLZ [0,1,0,0,1,0|2,0,0]=4 295 B12R1.125 NC(=N)NCc1ccccc1Br 1P01FLEP [0,1,0,0,1,0|0,0,1]=3 296 B12R1.125 NC(=N)NCc1ccccc1F 1P01EI95 [0,1,0,0,1,0|0,0,1]=3 297 B12R1.125 NC(=O)NCc1ccccc1Cl 1P00ISCK [0,1,0,0,1,0|1,0,1]=4 298 B12R1.125 NC(=O)NCc1ccccc1F 1P01AB49 [0,1,0,0,1,0|1,0,1]=4 299 B12R1.125 NC(=O)\C=C\c1ccccc1F 1P01EY2F [0,1,0,0,1,0|2,0,0]=4 300 B12R1.226 NC(=N)COc1cccc(c1)Cl 1P00J1V6 [0,1,0,0,1,0|2,0,0]=4 301 B12R1.226 NC(=N)COc1cccc(c1)F 1P019G1A [0,1,0,0,1,0|2,0,0]=4 302 B12R1.226 NC(=N)NCc1cccc(c1)I 1P004JN7 [0,1,0,0,1,0|0,0,1]=3 303 B12R1.226 NC(=N)NCc1cccc(c1)I 1P008MPG [0,1,0,0,1,0|0,0,1]=3 304 B12R1.226 NC(=N)NCc1cccc(c1)I 1P008TI1 [0,1,0,0,1,0|0,0,1]=3 305 B12R1.226 NC(=N)NCc1cccc(c1)O 1P027XSB [0,1,0,0,1,0|0,0,1]=3 306 B12R1.226 NC(=N)NCc1cccc(n1)Br 1P028DMD [0,1,0,0,1,0|1,0,1]=4 307 B12R1.226 NC(=N)SCc1cccc(c1)C 1P00JWGI [0,1,0,0,1,0|1,0,1]=4 308 B12R1.226 NC(=N)SCc1cccc(c1)C 1P019ODH [0,1,0,0,1,0|1,0,1]=4 309 B12R1.226 NC(=O)NCc1cccc(c1)F 1P00J78M [0,1,0,0,1,0|1,0,1]=4 310 B12R1.226 NC(=S)NNc1cccc(c1)Cl 1P00IPGQ [0,1,0,0,1,0|1,0,1]=4 311 B12R1.54 NC(=S)N\N=C(/c1cccs1)\C 1P01LIXT [0,1,0,0,1,0|2,0,0]=4 312 B12R1.54 NC(=S)N\N=C(\c1cccs1)/C 1P00DDNL [0,1,0,0,1,0|2,0,0]=4 313 B14R1.423 O=C(Cc1ccccc1)NNC(=S)N 1P01BGYG [0,1,0,0,0,1|1,0,1]=4 314 B14R1.160 NC(=N)NN=C(c1ccccc1Cl)C 1P01BCN9 [0,2,0,0,0,0|0,0,0]=2 315 B14R1.160 NC(=O)N\N=C(\c1ccccc1F)/C 1P028E9U [0,2,0,0,0,0|1,0,0]=3 316 B14R1.163 CNC(=S)NNC(=O)c1ccccc1 1P00ESMD [0,2,0,0,0,0|1,0,1]=4 317 B14R1.163 CSC(=S)N\N=C(\c1ccccc1)/C 1P01TP38 [0,2,0,0,0,0|2,0,0]=4 318 B14R1.163 ON=C(CNC(=O)c1ccccc1)N 1P019LHO [0,2,0,0,0,0|1,0,1]=4 319 B14R1.154 NC(=N)NN=Cc1cccc(c1Cl)Cl 1P005WBO [0,2,0,0,0,0|0,0,0]=2 320 B14R1.154 NC(=NN=Cc1cccc(c1Cl)Cl)N 1P01KLS8 [0,2,0,0,0,0|0,0,2]=4 321 B14R1.154 NC(=NN=Cc1cccc(c1Cl)Cl)N 1P01LQVR [0,2,0,0,0,0|0,0,2]=4 322 B14R1.5978 NC(=N)NC(=N)Nc1cccc(c1)Cl 1P002LQR [0,2,0,0,0,0|2,0,0]=4 323 B14R1.96 N#Cc1ccccc1C=NNC(=N)N 1P01EK9C [0,2,0,0,0,0|0,0,0]=2 324 B14R1.337 NC(=N)NC(=N)Nc1ccccc1C 1P0070HD [0,2,0,0,0,0|2,0,0]=4 325 B14R1.4464 Clc1ccc(c(c1)Cl)C=NN=C(N)N 1P00DIJG [0,2,0,0,0,0|0,0,2]=4 326 B14R1.4464 NC(=N)NN=Cc1ccc(cc1Cl)N 1P01EITU [0,2,0,0,0,0|0,0,0]=2 327 B14R1.4464 NC(=N)NN=Cc1ccc(cc1F)F 1P01CAU5 [0,2,0,0,0,0|0,0,0]=2 328 B14R1.4920 NC(=N)NN=Cc1c(Cl)cccc1Cl 1P002N5K [0,2,0,0,0,0|0,0,0]=2 329 B14R1.4920 NC(=N)NN=Cc1c(Cl)cccc1Cl 1P00BEJG [0,2,0,0,0,0|0,0,0]=2 330 B14R1.4920 NC(=N)NN=Cc1c(Cl)cccc1Cl 1P01B6UJ [0,2,0,0,0,0|0,0,0]=2 331 B14R1.4920 NC(=N)NN=Cc1c(F)cccc1Cl 1P01BC7C [0,2,0,0,0,0|0,0,0]=2 332 B14R1.698 N=C(Nc1ccc(cc1)C)NC(=N)N 1P00HYF9 [0,2,0,0,0,0|2,0,0]=4 333 B14R1.698 N=C(Nc1ccc(cc1)Cl)NC(=N)N 1P003DFO [0,2,0,0,0,0|2,0,0]=4 334 B14R1.698 N=C(Nc1ccc(cc1)F)NC(=N)N 1P001S7D [0,2,0,0,0,0|2,0,0]=4 335 B14R1.4 COc1ccc(cc1)C=NNC(=S)N 1P019PCY [0,2,0,0,0,0|1,0,0]=3 336 B12R2.1 O=Cn1nnc2c1cccc2 1P005PI8 [1,0,0,1,0,0|2,0,0]=4 337 B12R2.2 c1ccc(cc1)C2=NCCN2 1P003BQ7 [1,0,0,1,0,0|1,0,1]=4 338 B12R2.2 c1ccc(cc1)c2c[nH]cc2 1P002US5 [1,0,0,1,0,0|2,0,0]=4 339 B12R2.2 c1ccc(cc1)c2c[nH]cn2 1P003MG1 [1,0,0,1,0,0|1,0,0]=3 340 B12R2.2 c1ccc(cc1)c2ccc[nH]2 1P0030JM [1,0,0,1,0,0|2,0,0]=4 341 B12R2.2 c1ccc(cc1)c2cocn2 1P002J24 [1,0,0,1,0,0|2,0,0]=4 342 B12R2.2 c1ccc(cc1)c2cscn2 1P0024GS [1,0,0,1,0,0|2,0,0]=4 343 B12R2.2 c1ccc(cc1)c2n[nH]cc2 1P00BCJW [1,0,0,1,0,0|1,0,0]=3 344 B12R2.2 c1ccc(cc1)c2n[nH]cn2 1P00CMZB [1,0,0,1,0,0|0,0,0]=2 345 B12R2.2 c1ccc(cc1)c2n[nH]nn2 1P0022FK [1,0,0,1,0,0|1,0,0]=3 346 B12R2.2 c1ccc(cc1)c2ncc[nH]2 1P003BQ8 [1,0,0,1,0,0|1,0,0]=3 347 B12R2.2 c1ccc(cc1)c2ncco2 1P002J25 [1,0,0,1,0,0|2,0,0]=4 348 B12R2.2 c1ccc(cc1)c2nccs2 1P0024GT [1,0,0,1,0,0|2,0,0]=4 349 B12R2.2 c1ccc(cc1)c2ncno2 1P01ACRZ [1,0,0,1,0,0|1,0,1]=4 350 B12R2.2 c1ccc(cc1)c2nnco2 1P008JAS [1,0,0,1,0,0|1,0,1]=4 351 B12R2.2 c1ccc(cc1)c2nocc2 1P0002WH [1,0,0,1,0,0|2,0,0]=4 352 B12R2.2 c1ccc(cc1)c2nocn2 1P01A5KX [1,0,0,1,0,0|1,0,0]=3 353 B12R2.2 c1ccc(cc1)c2nscn2 1P01ACS0 [1,0,0,1,0,0|1,0,0]=3 354 B12R2.2 c1ccc(cn1)c2c[nH]cn2 1P00C3NN [1,0,0,1,0,0|2,0,0]=4 355 B12R2.2 c1ccc(cn1)c2c[nH]cn2 1P00I9PN [1,0,0,1,0,0|2,0,0]=4 356 B12R2.2 c1ccc(cn1)c2c[nH]cn2 1P027VIS [1,0,0,1,0,0|2,0,0]=4 357 B12R2.2 c1ccc(cn1)c2n[nH]cc2 1P00D8W8 [1,0,0,1,0,0|2,0,0]=4 358 B12R2.2 c1ccc(cn1)c2n[nH]nn2 1P00BZEB [1,0,0,1,0,0|2,0,0]=4 359 B12R2.2 c1ccc(cn1)c2ncc[nH]2 1P0080ZB [1,0,0,1,0,0|2,0,0]=4 360 B12R2.2 c1ccc(nc1)c2c[nH]cn2 1P01B838 [1,0,0,1,0,0|2,0,0]=4 361 B12R2.2 c1ccc(nc1)c2n[nH]cc2 1P005CCO [1,0,0,1,0,0|2,0,0]=4 362 B12R2.2 c1ccc(nc1)c2n[nH]nn2 1P00BZD1 [1,0,0,1,0,0|2,0,0]=4 363 B12R2.2 c1ccc(nc1)c2ncc[nH]2 1P00APSA [1,0,0,1,0,0|2,0,0]=4 364 B12R2.2 n1ccc(cc1)c2n[nH]cc2 1P00261R [1,0,0,1,0,0|2,0,0]=4 365 B12R2.2 n1ccc(cc1)c2n[nH]cc2 1P00HFBE [1,0,0,1,0,0|2,0,0]=4 366 B12R2.2 n1ccc(cc1)c2n[nH]nn2 1P001J1X [1,0,0,1,0,0|2,0,0]=4 367 B12R2.2 n1ccc(cc1)c2ncc[nH]2 1P00C3YR [1,0,0,1,0,0|2,0,0]=4 368 B12R2.1081 Brc1cncc2c1cccc2 1P003LGS [1,0,0,1,0,0|2,0,0]=4 369 B12R2.1081 Brc1nncc2c1cccc2 1P00CRT5 [1,0,0,1,0,0|1,0,1]=4 370 B12R2.1081 Brc1nncc2c1cccc2 1P027W1C [1,0,0,1,0,0|1,0,1]=4 371 B12R2.1081 Cc1cncc2c1cccc2 1P000PQA [1,0,0,1,0,0|2,0,0]=4 372 B12R2.1081 Clc1cncc2c1cccc2 1P007YOK [1,0,0,1,0,0|2,0,0]=4 373 B12R2.1081 Clc1nncc2c1cccc2 1P003EPG [1,0,0,1,0,0|1,0,1]=4 374 B12R2.1081 Clc1nncc2c1cccc2 1P00I63A [1,0,0,1,0,0|1,0,1]=4 375 B12R2.1081 Fc1cncc2c1cccc2 1P003LW6 [1,0,0,1,0,0|2,0,0]=4 376 B12R2.1081 Fc1cncc2c1cccc2 1P00GUZ5 [1,0,0,1,0,0|2,0,0]=4 377 B12R2.1081 Ic1cncc2c1cccc2 1P00DGSG [1,0,0,1,0,0|2,0,0]=4 378 B12R2.1081 Nc1cccc2c1cccc2 1P0033A6 [1,0,0,1,0,0|2,0,0]=4 379 B12R2.1081 Nc1cccc2c1cccc2 1P003EEQ [1,0,0,1,0,0|2,0,0]=4 380 B12R2.1081 Nc1cncc2c1cccc2 1P001ILK [1,0,0,1,0,0|1,0,0]=3 381 B12R2.1081 Nc1cncc2c1cccc2 1P002OLU [1,0,0,1,0,0|1,0,0]=3 382 B12R2.1081 Nc1cncc2c1ccnc2 1P028KIA [1,0,0,1,0,0|2,0,0]=4 383 B12R2.1081 Nc1cncc2c1nccc2 1P018BPK [1,0,0,1,0,0|2,0,0]=4 384 B12R2.1081 Nc1cnnc2c1cccc2 1P00DBKN [1,0,0,1,0,0|2,0,0]=4 385 B12R2.1081 Nc1nccc2c1cccc2 1P003RM5 [1,0,0,1,0,0|1,0,1]=4 386 B12R2.1081 Nc1nncc2c1cccc2 1P002F5H [1,0,0,1,0,0|0,0,1]=3 387 B12R2.1081 O=c1[nH]ccc2c1cccc2 1P00I9AL [1,0,0,1,0,0|2,0,0]=4 388 B12R2.1081 O=c1[nH]ncc2c1cccc2 1P003BFV [1,0,0,1,0,0|1,0,0]=3 389 B12R2.1081 O=c1[nH]ncc2c1cccn2 1P01DL4F [1,0,0,1,0,0|2,0,0]=4 390 B12R2.1081 O=c1[nH]ncc2c1cncc2 1P00I8EN [1,0,0,1,0,0|2,0,0]=4 391 B12R2.1081 O=c1[nH]ncc2c1nccc2 1P007I5O [1,0,0,1,0,0|2,0,0]=4 392 B12R2.1081 O=c1[nH]nnc2c1cccc2 1P003IY6 [1,0,0,1,0,0|2,0,0]=4 393 B12R2.1081 Oc1cncc2c1cccc2 1P0038HZ [1,0,0,1,0,0|2,0,0]=4 394 B12R2.1081 Sc1nncc2c1cccc2 1P00AEGA [1,0,0,1,0,0|1,0,1]=4 395 B12R2.24 Brc1ccc2c(n1)cccc2 1P002DAA [0,0,0,1,1,0|2,0,0]=4 396 B12R2.24 Brc1cnc2c(n1)cccc2 1P00BYLJ [0,0,0,1,1,0|2,0,0]=4 397 B12R2.24 Brc1ncc2c(c1)cccc2 1P0037SN [0,0,0,1,1,0|2,0,0]=4 398 B12R2.24 Brc1ncc2c(n1)cccc2 1P000ZZ4 [0,0,0,1,1,0|1,0,0]=3 399 B12R2.24 Brc1ncc2c(n1)nccc2 1P028HTV [0,0,0,1,1,0|2,0,0]=4 400 B12R2.24 Brc1nnc2c(n1)cccc2 1P0292RG [0,0,0,1,1,0|1,0,1]=4 401 B12R2.24 CC1=Nc2c(CN1)cccc2 1P019MR0 [0,0,0,1,1,0|1,0,1]=4 402 B12R2.24 Cc1ccc2c(n1)cccc2 1P003I76 [0,0,0,1,1,0|2,0,0]=4 403 B12R2.24 Cc1ccc2c(n1)cccc2 1P01EI87 [0,0,0,1,1,0|2,0,0]=4 404 B12R2.24 Cc1cnc2c(n1)cccc2 1P00FABR [0,0,0,1,1,0|2,0,0]=4 405 B12R2.24 Cc1ncc2c(c1)cccc2 1P007TDZ [0,0,0,1,1,0|2,0,0]=4 406 B12R2.24 Cc1nnc2c(n1)cccc2 1P00EB6P [0,0,0,1,1,0|1,0,1]=4 407 B12R2.24 Clc1ccc2c(n1)cccc2 1P003HK7 [0,0,0,1,1,0|2,0,0]=4 408 B12R2.24 Clc1cnc2c(n1)cccc2 1P001KO5 [0,0,0,1,1,0|2,0,0]=4 409 B12R2.24 Clc1ncc2c(c1)cccc2 1P003JRE [0,0,0,1,1,0|2,0,0]=4 410 B12R2.24 Clc1ncc2c(n1)cccc2 1P0033QD [0,0,0,1,1,0|1,0,0]=3 411 B12R2.24 Clc1ncc2c(n1)cccn2 1P019GQ2 [0,0,0,1,1,0|2,0,0]=4 412 B12R2.24 Clc1ncc2c(n1)nccc2 1P007WDA [0,0,0,1,1,0|2,0,0]=4 413 B12R2.24 Clc1nnc2c(n1)cccc2 1P01BDLK [0,0,0,1,1,0|1,0,1]=4 414 B12R2.24 Fc1ccc2c(n1)cccc2 1P0037M7 [0,0,0,1,1,0|2,0,0]=4 415 B12R2.24 Fc1ncc2c(c1)cccc2 1P00CJB1 [0,0,0,1,1,0|2,0,0]=4 416 B12R2.24 Ic1ccc2c(n1)cccc2 1P00EDAH [0,0,0,1,1,0|2,0,0]=4 417 B12R2.24 Ic1cnc2c(n1)cccc2 1P00CHP9 [0,0,0,1,1,0|2,0,0]=4 418 B12R2.24 Ic1ncc2c(n1)cccc2 1P019FAZ [0,0,0,1,1,0|1,0,0]=3 419 B12R2.24 NC1=Nc2c(CC1)cccc2 1P028CNT [0,0,0,1,1,0|1,0,1]=4 420 B12R2.24 NC1=Nc2c(CS1)cccc2 1P005OQX [0,0,0,1,1,0|1,0,1]=4 421 B12R2.24 Nc1ccc2c(c1)cccc2 1P0033L0 [0,0,0,1,1,0|2,0,0]=4 422 B12R2.24 Nc1ccc2c(n1)cccc2 1P003AT2 [0,0,0,1,1,0|1,0,0]=3 423 B12R2.24 Nc1ccc2c(n1)cccn2 1P0027NC [0,0,0,1,1,0|2,0,0]=4 424 B12R2.24 Nc1ccc2c(n1)ccnc2 1P0027NB [0,0,0,1,1,0|2,0,0]=4 425 B12R2.24 Nc1ccc2c(n1)ccnc2 1P01FJSE [0,0,0,1,1,0|2,0,0]=4 426 B12R2.24 Nc1ccc2c(n1)cncc2 1P00DLQF [0,0,0,1,1,0|2,0,0]=4 427 B12R2.24 Nc1ccc2c(n1)nccc2 1P001RZY [0,0,0,1,1,0|2,0,0]=4 428 B12R2.24 Nc1ccc2c(n1)nccc2 1P028F43 [0,0,0,1,1,0|2,0,0]=4 429 B12R2.24 Nc1cnc2c(c1)cccc2 1P0037M8 [0,0,0,1,1,0|2,0,0]=4 430 B12R2.24 Nc1cnc2c(n1)cccc2 1P00DC6Z [0,0,0,1,1,0|1,0,0]=3 431 B12R2.24 Nc1ncc2c(c1)cccc2 1P00BDFA [0,0,0,1,1,0|1,0,0]=3 432 B12R2.24 Nc1ncc2c(c1)cccn2 1P00F0GW [0,0,0,1,1,0|2,0,0]=4 433 B12R2.24 Nc1ncc2c(c1)cccn2 1P01BW4R [0,0,0,1,1,0|2,0,0]=4 434 B12R2.24 Nc1ncc2c(n1)cccc2 1P001YP1 [0,0,0,1,1,0|0,0,0]=2 435 B12R2.24 Nc1ncc2c(n1)nccc2 1P008B7G [0,0,0,1,1,0|1,0,0]=3 436 B12R2.24 Nc1ncc2c(n1)nccn2 1P005GEH [0,0,0,1,1,0|2,0,0]=4 437 B12R2.24 Nc1ncc2c(n1)ncnc2 1P01ALV2 [0,0,0,1,1,0|2,0,0]=4 438 B12R2.24 Nc1nnc2c(c1)cccc2 1P019FF3 [0,0,0,1,1,0|1,0,1]=4 439 B12R2.24 Nc1nnc2c(n1)cccc2 1P002D3V [0,0,0,1,1,0|0,0,1]=3 440 B12R2.24 O=C1NCc2c(N1)cccc2 1P00FGZ1 [0,0,0,1,1,0|1,0,1]=4 441 B12R2.24 O=c1[nH]cc2c(c1)cccc2 1P00AIWV [0,0,0,1,1,0|2,0,0]=4 442 B12R2.24 O=c1cnc2c([nH]1)cccc2 1P000PQ3 [0,0,0,1,1,0|2,0,0]=4 443 B12R2.24 Oc1ncc2c(c1)cccc2 1P00346S [0,0,0,1,1,0|2,0,0]=4 444 B12R2.24 Oc1ncc2c(n1)cccc2 1P00FHGS [0,0,0,1,1,0|1,0,0]=3 445 B12R2.24 S=c1ccc2c([nH]1)cccc2 1P002TDF [0,0,0,1,1,0|2,0,0]=4 446 B12R2.24 Sc1cnc2c(n1)cccc2 1P00FCT8 [0,0,0,1,1,0|2,0,0]=4 447 B12R2.3190 NC(=N)C1Cc2c1cccc2 1P01A5IY [0,0,0,1,1,0|1,0,1]=4 448 B12R2.6 N=c1[nH]nc([nH]1)c2cccs2 1P00DDFG [0,0,0,1,1,0|1,0,0]=3 449 B12R2.6 Nc1[nH]nc(c1)c2ccco2 1P003IOX [0,0,0,1,1,0|2,0,0]=4 450 B12R2.6 Nc1[nH]nc(c1)c2cccs2 1P003IR0 [0,0,0,1,1,0|2,0,0]=4 451 B12R2.6 Nc1[nH]nc(n1)c2ccco2 1P00C8WI [0,0,0,1,1,0|1,0,0]=3 452 B12R2.6 Nc1snc(n1)c2ccco2 1P028DN4 [0,0,0,1,1,0|2,0,0]=4 453 B12R2.6 Nc1snc(n1)c2cccs2 1P01A5QY [0,0,0,1,1,0|2,0,0]=4 454 B12R2.6 Nc1snc(n1)c2cscc2 1P00VUYZ [0,0,0,1,1,0|2,0,0]=4 455 B14R2.2 CC(Cn1ncc2c1cccc2)N 1P028R5J [0,0,0,1,0,1|1,0,1]=4 456 B14R2.2 NC(=N)CN1CCc2c1cccc2 1P01BCOG [0,0,0,1,0,1|1,0,1]=4 457 B14R2.2 NC(=N)Cn1cnc2c1cccc2 1P019TR5 [0,0,0,1,0,1|1,0,1]=4 458 B14R2.2 NC(=O)Cn1nnc2c1cccc2 1P005X6Y [0,0,0,1,0,1|2,0,0]=4 459 B14R2.2 OC(=O)Cn1ncc2c1cccc2 1P007J6K [0,0,0,1,0,1|2,0,0]=4 460 B14R2.19 Clc1snc(n1)Cc2ccccc2 1P00IKON [0,0,0,1,0,1|2,0,0]=4 461 B14R2.19 N=c1[nH][nH]c(n1)Cc2ccccc2 1P00BECB [0,0,0,1,0,1|0,0,2]=4 462 B14R2.19 Nc1[nH]nc(n1)Nc2ccccc2 1P00CN4Q [0,0,0,1,0,1|0,0,0]=2 463 B14R2.19 Nc1nnc(o1)Cc2ccccc2 1P00C0YS [0,0,0,1,0,1|1,0,1]=4 464 B14R2.19 Nc1nnc(o1)Nc2ccccc2 1P01BF37 [0,0,0,1,0,1|1,0,1]=4 465 B14R2.19 Nc1nnc(s1)Cc2ccccc2 1P001VOT [0,0,0,1,0,1|1,0,1]=4 466 B14R2.19 Nc1nnc(s1)Cc2ccccc2 1P01B61T [0,0,0,1,0,1|1,0,1]=4 467 B14R2.19 Nc1nnn(n1)Cc2ccccc2 1P019RGL [0,0,0,1,0,1|0,0,2]=4 468 B14R2.19 Nc1noc(n1)Cc2ccccc2 1P01BGD1 [0,0,0,1,0,1|1,0,1]=4 469 B14R2.19 Nc1nsc(n1)Nc2ccccc2 1P00EB0V [0,0,0,1,0,1|1,0,1]=4 470 B14R2.19 Nc1onc(c1)Cc2ccccc2 1P000IQI [0,0,0,1,0,1|2,0,0]=4 471 B14R2.19 Nc1onc(n1)Cc2ccncc2 1P01C1S5 [0,0,0,1,0,1|2,0,0]=4 472 B14R2.19 Nc1scc(n1)Cc2ccccc2 1P005GFI [0,0,0,1,0,1|2,0,0]=4 473 B14R2.19 Nc1snc(n1)Cc2ccccc2 1P00AVVJ [0,0,0,1,0,1|1,0,0]=3 474 B14R2.19 Nc1snc(n1)Oc2ccccc2 1P01EJQH [0,0,0,1,0,1|1,0,0]=3 475 B14R2.19 Nc1snc(n1)Sc2ccccc2 1P00VUY2 [0,0,0,1,0,1|1,0,0]=3 476 B14R2.19 O=C1NN=C(C1)Nc2ccccc2 1P01B7P9 [0,0,0,1,0,1|2,0,0]=4 477 B14R2.19 O=c1[nH]nc([nH]1)Cc2ccccc2 1P003AZT [0,0,0,1,0,1|1,0,0]=3 478 B14R2.19 O=c1[nH]nc(o1)Cc2ccccc2 1P028N0J [0,0,0,1,0,1|2,0,0]=4 479 B14R2.19 S=c1[nH][nH]c(n1)Cc2ccccc2 1P00BUKV [0,0,0,1,0,1|1,0,1]=4 480 B14R2.19 S=c1[nH]nc(s1)Nc2ccccc2 1P000844 [0,0,0,1,0,1|2,0,0]=4 481 B14R2.19 Sc1onc(n1)Cc2ccccc2 1P01BIQ9 [0,0,0,1,0,1|2,0,0]=4 482 B14R2.21 Brc1ccnc(n1)c2ccccc2 1P00HBNH [0,0,0,1,0,1|2,0,0]=4 483 B14R2.21 Clc1ccnc(n1)c2ccccc2 1P001FQY [0,0,0,1,0,1|2,0,0]=4 484 B14R2.21 Clc1cncc(n1)c2ccccc2 1P00CJF2 [0,0,0,1,0,1|2,0,0]=4 485 B14R2.21 Clc1ncnc(n1)c2ccccc2 1P01B5J3 [0,0,0,1,0,1|1,0,1]=4 486 B14R2.21 NC1=NC(CCN1)c2ccccc2 1P028K55 [0,0,0,1,0,1|1,0,1]=4 487 B14R2.21 Nc1cccc(n1)c2ccccc2 1P00BZC2 [0,0,0,1,0,1|2,0,0]=4 488 B14R2.21 Nc1ccnc(c1)c2ccccc2 1P00389S [0,0,0,1,0,1|2,0,0]=4 489 B14R2.21 Nc1ccnc(n1)c2ccccc2 1P00CLXF [0,0,0,1,0,1|1,0,0]=3 490 B14R2.21 Nc1ccnc(n1)c2ccccn2 1P00IBAW [0,0,0,1,0,1|2,0,0]=4 491 B14R2.21 Nc1ccnc(n1)c2cccnc2 1P00IBAV [0,0,0,1,0,1|2,0,0]=4 492 B14R2.21 Nc1ccnc(n1)c2ccncc2 1P00EE9T [0,0,0,1,0,1|2,0,0]=4 493 B14R2.21 Nc1cncc(c1)c2ccccc2 1P00BZDC [0,0,0,1,0,1|2,0,0]=4 494 B14R2.21 Nc1cncc(n1)c2ccccc2 1P00CME5 [0,0,0,1,0,1|1,0,0]=3 495 B14R2.21 Nc1cncc(n1)c2ccncc2 1P01DVH0 [0,0,0,1,0,1|2,0,0]=4 496 B14R2.21 Nc1cnnc(c1)c2ccccc2 1P00GLDV [0,0,0,1,0,1|1,0,1]=4 497 B14R2.21 Nc1nccc(n1)c2ccccc2 1P002MGZ [0,0,0,1,0,1|1,0,1]=4 498 B14R2.21 Nc1ncnc(c1)c2ccccc2 1P003L77 [0,0,0,1,0,1|1,0,1]=4 499 B14R2.21 Nc1ncnc(n1)c2ccncc2 1P01G4Z0 [0,0,0,1,0,1|1,0,1]=4 500 B14R2.21 Nc1nncc(c1)c2ccccc2 1P009310 [0,0,0,1,0,1|1,0,1]=4 501 B14R2.21 Nc1nncc(n1)c2ccccc2 1P01A8WX [0,0,0,1,0,1|0,0,1]=3 502 B14R2.21 Nc1nncc(n1)c2cccnc2 1P027XG3 [0,0,0,1,0,1|1,0,1]=4 503 B14R2.21 O=c1[nH]ncc(c1)c2ccccc2 1P00551D [0,0,0,1,0,1|2,0,0]=4 504 B14R2.21 O=c1ccnc([nH]1)c2ccccc2 1P00CBIC [0,0,0,1,0,1|2,0,0]=4 505 B14R2.31359 NC(=O)c1cncc2c1cccc2 1P005L5Z [0,0,0,1,0,1|2,0,0]=4 506 B14R2.31359 NC(=O)c1nncc2c1cccc2 1P01DWA3 [0,0,0,1,0,1|1,0,1]=4 507 B14R2.31359 NC(=S)c1cncc2c1cccc2 1P0037PE [0,0,0,1,0,1|2,0,0]=4 508 B14R2.68 Brc1cnc(nc1)c2ccccc2 1P00792J [0,1,0,1,0,0|2,0,0]=4 509 B14R2.68 Cc1nnc(nn1)c2ccccc2 1P0282PA [0,1,0,1,0,0|1,0,1]=4 510 B14R2.68 Clc1cnc(cn1)c2ccccc2 1P00C273 [0,1,0,1,0,0|2,0,0]=4 511 B14R2.68 NC1=NCC(CN1)c2ccccc2 1P027ZE4 [0,1,0,1,0,0|1,0,1]=4 512 B14R2.68 Nc1ccc(cn1)c2ccccc2 1P003GYD [0,1,0,1,0,0|2,0,0]=4 513 B14R2.68 Nc1ccc(nc1)c2ccccc2 1P000T6O [0,1,0,1,0,0|2,0,0]=4 514 B14R2.68 Nc1ccc(nc1)c2ccccc2 1P01QXMI [0,1,0,1,0,0|2,0,0]=4 515 B14R2.68 Nc1ccc(nn1)c2ccccc2 1P001MD4 [0,1,0,1,0,0|1,0,1]=4 516 B14R2.68 Nc1cnc(cn1)c2ccccc2 1P003GYC [0,1,0,1,0,0|1,0,0]=3 517 B14R2.68 Nc1cnc(nc1)c2ccccc2 1P00EFXG [0,1,0,1,0,0|1,0,0]=3 518 B14R2.68 Nc1ncc(cn1)c2ccccc2 1P00CMTK [0,1,0,1,0,0|1,0,1]=4 519 B14R2.68 Nc1ncc(nn1)c2ccccc2 1P01DXCV [0,1,0,1,0,0|0,0,1]=3 520 B14R2.68 O=C1CCC(=NN1)c2ccccc2 1P00048E [0,1,0,1,0,0|2,0,0]=4 521 B14R2.68 O=C1COC(=NN1)c2ccccc2 1P021KRL [0,1,0,1,0,0|2,0,0]=4 522 B14R2.68 O=C1NCC(=NN1)c2ccccc2 1P005DW7 [0,1,0,1,0,0|1,0,0]=3 523 B14R2.68 O=c1ccc(n[nH]1)c2ccccc2 1P003NSJ [0,1,0,1,0,0|2,0,0]=4 524 B14R2.68 O=c1cnc(c[nH]1)c2ccccc2 1P00C275 [0,1,0,1,0,0|2,0,0]=4 525 B14R2.68 Oc1cnc(nc1)c2ccccc2 1P00H79B [0,1,0,1,0,0|2,0,0]=4 526 B14R2.22 Brc1cccc(c1)c2c[nH]c(=S)[nH]2 1P002GS7 [0,1,0,1,0,0|2,0,0]=4 527 B14R2.22 Brc1cccc(c1)c2csc(n2)N 1P003GUR [0,1,0,1,0,0|2,0,0]=4 528 B14R2.22 Brc1cccc(c1)c2csc(n2)N 1P02840I [0,1,0,1,0,0|2,0,0]=4 529 B14R2.22 Brc1cccc(c1)c2n[nH]c(=O)[nH]2 1P01BJQK [0,1,0,1,0,0|1,0,0]=3 530 B14R2.22 Brc1cccc(c1)c2n[nH]c(=S)o2 1P004D1Y [0,1,0,1,0,0|2,0,0]=4 531 B14R2.22 Brc1cccc(c1)c2nnc([nH]2)N 1P00CLHP [0,1,0,1,0,0|0,0,2]=4 532 B14R2.22 Brc1cccc(c1)c2nnc(o2)N 1P007BZC [0,1,0,1,0,0|1,0,1]=4 533 B14R2.22 Brc1cccc(c1)c2nnc(s2)N 1P00HBOM [0,1,0,1,0,0|1,0,1]=4 534 B14R2.22 Brc1cccc(c1)c2noc(=O)[nH]2 1P00BIQS [0,1,0,1,0,0|2,0,0]=4 535 B14R2.22 Brc1cccc(c1)c2noc(c2)N 1P000IQL [0,1,0,1,0,0|2,0,0]=4 536 B14R2.22 Brc1cccc(c1)c2nsc(n2)Cl 1P00JTGF [0,1,0,1,0,0|2,0,0]=4 537 B14R2.22 Brc1cccc(c1)c2onc(n2)N 1P028ZIE [0,1,0,1,0,0|1,0,1]=4 538 B14R2.22 Brc1cccc(c1)n2ncc(n2)N 1P0291WE [0,1,0,1,0,0|2,0,0]=4 539 B14R2.22 Cc1cccc(c1)c2csc(n2)N 1P00DD85 [0,1,0,1,0,0|2,0,0]=4 540 B14R2.22 Cc1cccc(c1)c2nnc([nH]2)S 1P005NNH [0,1,0,1,0,0|1,0,1]=4 541 B14R2.22 Cc1cccc(c1)c2nnc(s2)N 1P00GAGC [0,1,0,1,0,0|1,0,1]=4 542 B14R2.22 Cc1cccc(c1)c2noc(c2)N 1P004ORI [0,1,0,1,0,0|2,0,0]=4 543 B14R2.22 Cc1cccc(c1)c2noc(n2)S 1P01A5EE [0,1,0,1,0,0|2,0,0]=4 544 B14R2.22 Cc1cccc(c1)c2nsc(n2)Cl 1P00JTGK [0,1,0,1,0,0|2,0,0]=4 545 B14R2.22 Clc1cccc(c1)c2[nH][nH]c(=S)n2 1P000EKY [0,1,0,1,0,0|1,0,1]=4 546 B14R2.22 Clc1cccc(c1)c2csc(n2)N 1P006D5H [0,1,0,1,0,0|2,0,0]=4 547 B14R2.22 Clc1cccc(c1)c2n[nH]c(=S)o2 1P00CRS8 [0,1,0,1,0,0|2,0,0]=4 548 B14R2.22 Clc1cccc(c1)c2nnc([nH]2)N 1P019W8J [0,1,0,1,0,0|0,0,2]=4 549 B14R2.22 Clc1cccc(c1)c2nnc(o2)N 1P001XR0 [0,1,0,1,0,0|1,0,1]=4 550 B14R2.22 Clc1cccc(c1)c2nnc(s2)N 1P00ICGW [0,1,0,1,0,0|1,0,1]=4 551 B14R2.22 Clc1cccc(c1)c2noc(c2)N 1P004L23 [0,1,0,1,0,0|2,0,0]=4 552 B14R2.22 Clc1cccc(c1)c2noc(n2)Cl 1P01A92X [0,1,0,1,0,0|2,0,0]=4 553 B14R2.22 Clc1cccc(c1)c2noc(n2)N 1P01A3FT [0,1,0,1,0,0|1,0,0]=3 554 B14R2.22 Clc1cccc(c1)c2nsc(n2)N 1P019YLY [0,1,0,1,0,0|1,0,0]=3 555 B14R2.22 Clc1cccc(c1)c2scc(n2)N 1P01BV56 [0,1,0,1,0,0|2,0,0]=4 556 B14R2.22 Fc1cccc(c1)c2csc(n2)N 1P00DBXU [0,1,0,1,0,0|2,0,0]=4 557 B14R2.22 Fc1cccc(c1)c2n[nH]c(c2)N 1P005JLX [0,1,0,1,0,0|1,0,0]=3 558 B14R2.22 Fc1cccc(c1)c2nnc([nH]2)N 1P00DDIN [0,1,0,1,0,0|0,0,2]=4 559 B14R2.22 Fc1cccc(c1)c2nnc(o2)N 1P007HOA [0,1,0,1,0,0|1,0,1]=4 560 B14R2.22 Fc1cccc(c1)c2nnc(s2)N 1P00EAA6 [0,1,0,1,0,0|1,0,1]=4 561 B14R2.22 Fc1cccc(c1)c2noc(c2)N 1P000IQN [0,1,0,1,0,0|2,0,0]=4 562 B14R2.22 Fc1cccc(c1)c2noc(n2)N 1P01BGB3 [0,1,0,1,0,0|1,0,0]=3 563 B14R2.22 Fc1cccc(c1)c2noc(n2)S 1P01A5CN [0,1,0,1,0,0|2,0,0]=4 564 B14R2.22 Fc1cccc(c1)c2onc(n2)N 1P028NW7 [0,1,0,1,0,0|1,0,1]=4 565 B14R2.22 Ic1cccc(c1)c2n[nH]c(c2)N 1P00D8SW [0,1,0,1,0,0|1,0,0]=3 566 B14R2.22 Ic1cccc(c1)c2noc(=O)[nH]2 1P027TRE [0,1,0,1,0,0|2,0,0]=4 567 B14R2.22 Nc1cccc(c1)c2csc(n2)N 1P007XN1 [0,1,0,1,0,0|2,0,0]=4 568 B14R2.22 Nc1cccc(c1)c2n[nH]c(=O)[nH]2 1P01E8A1 [0,1,0,1,0,0|1,0,0]=3 569 B14R2.22 Nc1cccc(c1)c2n[nH]c(n2)C 1P00H5F7 [0,1,0,1,0,0|1,0,0]=3 570 B14R2.22 Nc1cccc(c1)c2ncc([nH]2)C 1P01B6VP [0,1,0,1,0,0|2,0,0]=4 571 B14R2.22 Nc1cccc(c1)c2nnc([nH]2)C 1P00J1RG [0,1,0,1,0,0|1,0,1]=4 572 B14R2.22 Nc1cccc(c1)c2noc(=O)[nH]2 1P00AUVR [0,1,0,1,0,0|2,0,0]=4 573 B14R2.22 Nc1cccc(c1)c2noc(=O)[nH]2 1P01DJC6 [0,1,0,1,0,0|2,0,0]=4 574 B14R2.22 Nc1cccc(c1)c2noc(n2)C 1P000678 [0,1,0,1,0,0|2,0,0]=4 575 B14R2.22 Nc1nccc(c1)c2n[nH]c(n2)C 1P01C2PH [0,1,0,1,0,0|2,0,0]=4 576 B14R2.22 Oc1cccc(c1)c2csc(n2)N 1P003IGP [0,1,0,1,0,0|2,0,0]=4 577 B14R2.22 Oc1cccc(c1)c2csc(n2)N 1P00AL6R [0,1,0,1,0,0|2,0,0]=4 578 B14R2.22 Oc1cccc(c1)c2nnc(s2)N 1P00VUYX [0,1,0,1,0,0|1,0,1]=4 579 B14R2.22 Oc1cccc(c1)c2noc(c2)N 1P004BZT [0,1,0,1,0,0|2,0,0]=4 580 B14R2.22 Oc1cccc(c1)c2nsc(n2)N 1P00VUY4 [0,1,0,1,0,0|1,0,0]=3 581 B14R2.22 Oc1cccc(c1)c2nsc(n2)N 1P02828J [0,1,0,1,0,0|1,0,0]=3 582 B14R2.300 Brc1ccc2c(c1)cnn2C(=O)Cl 1P0291UN [0,1,0,1,0,0|2,0,0]=4 583 B14R2.300 Clc1ccc2c(c1)cnn2C(=O)C 1P00IKHR [0,1,0,1,0,0|2,0,0]=4 584 B14R2.300 Oc1ccc2c(c1)cnn2C(=O)C 1P00EMAW [0,1,0,1,0,0|2,0,0]=4 585 B14R2.256 Brc1ccccc1c2[nH][nH]c(=S)n2 1P0077WI [0,1,0,1,0,0|1,0,1]=4 586 B14R2.256 Brc1ccccc1c2n[nH]c(=S)o2 1P001W1T [0,1,0,1,0,0|2,0,0]=4 587 B14R2.256 Brc1ccccc1c2n[nH]c(c2)N 1P009901 [0,1,0,1,0,0|1,0,0]=3 588 B14R2.256 Brc1ccccc1c2nnc([nH]2)C 1P01DXR9 [0,1,0,1,0,0|1,0,1]=4 589 B14R2.256 Brc1ccccc1c2nnc([nH]2)N 1P00EKJ2 [0,1,0,1,0,0|0,0,2]=4 590 B14R2.256 Cc1ccccc1c2n[nH]c(=S)o2 1P002QOS [0,1,0,1,0,0|2,0,0]=4 591 B14R2.256 Cc1ccccc1c2n[nH]c(c2)N 1P003JCQ [0,1,0,1,0,0|1,0,0]=3 592 B14R2.256 Cc1ccccc1c2n[nH]c(c2)N 1P00A0WG [0,1,0,1,0,0|1,0,0]=3 593 B14R2.256 Cc1ccccc1c2nnc([nH]2)N 1P00EEKT [0,1,0,1,0,0|0,0,2]=4 594 B14R2.256 Cc1ccccc1c2nnc([nH]2)S 1P00JCWP [0,1,0,1,0,0|1,0,1]=4 595 B14R2.256 Cc1ccccc1c2noc(=O)[nH]2 1P01A8Z7 [0,1,0,1,0,0|2,0,0]=4 596 B14R2.256 Cc1onc(n1)c2ccccc2Br 1P00GVHV [0,1,0,1,0,0|2,0,0]=4 597 B14R2.256 Cc1onc(n1)c2ccccc2N 1P019NT6 [0,1,0,1,0,0|2,0,0]=4 598 B14R2.256 Clc1ccccc1c2nnc([nH]2)N 1P00DDH0 [0,1,0,1,0,0|0,0,2]=4 599 B14R2.256 Clc1onc(n1)c2ccccc2Cl 1P01A9PM [0,1,0,1,0,0|2,0,0]=4 600 B14R2.256 Clc1onc(n1)c2ccccc2F 1P00I9V9 [0,1,0,1,0,0|2,0,0]=4 601 B14R2.256 Clc1snc(n1)c2ccccc2Br 1P0290JU [0,1,0,1,0,0|2,0,0]=4 602 B14R2.256 Clc1snc(n1)c2ccccc2C 1P01BVQA [0,1,0,1,0,0|2,0,0]=4 603 B14R2.256 Fc1ccccc1c2n[nH]c(=N)s2 1P00EAYG [0,1,0,1,0,0|1,0,0]=3 604 B14R2.256 Fc1ccccc1c2n[nH]c(=O)o2 1P00HATJ [0,1,0,1,0,0|2,0,0]=4 605 B14R2.256 Fc1ccccc1c2n[nH]c(n2)N 1P01AAPR [0,1,0,1,0,0|0,0,0]=2 606 B14R2.256 Fc1ccccc1c2ncc([nH]2)C 1P01KYYO [0,1,0,1,0,0|2,0,0]=4 607 B14R2.256 Fc1ccccc1c2nnc([nH]2)N 1P007HQ2 [0,1,0,1,0,0|0,0,2]=4 608 B14R2.256 Fc1ccccc1c2nnc([nH]2)S 1P00BFTK [0,1,0,1,0,0|1,0,1]=4 609 B14R2.256 Nc1ccccc1c2n[nH]c(=O)o2 1P00JOH1 [0,1,0,1,0,0|2,0,0]=4 610 B14R2.256 Nc1ccccc1c2n[nH]c(=S)[nH]2 1P01QP8E [0,1,0,1,0,0|1,0,0]=3 611 B14R2.256 Nc1nnc(o1)c2ccccc2C 1P0020K0 [0,1,0,1,0,0|1,0,1]=4 612 B14R2.256 Nc1nnc(o1)c2ccccc2Cl 1P003GWQ [0,1,0,1,0,0|1,0,1]=4 613 B14R2.256 Nc1nnc(o1)c2ccccc2F 1P007IQE [0,1,0,1,0,0|1,0,1]=4 614 B14R2.256 Nc1nnc(s1)c2ccccc2C 1P00EA9V [0,1,0,1,0,0|1,0,1]=4 615 B14R2.256 Nc1nnc(s1)c2ccccc2Cl 1P004WW4 [0,1,0,1,0,0|1,0,1]=4 616 B14R2.256 Nc1nnc(s1)c2ccccc2O 1P005166 [0,1,0,1,0,0|1,0,1]=4 617 B14R2.256 Nc1noc(n1)c2ccccc2Cl 1P01BEIV [0,1,0,1,0,0|1,0,1]=4 618 B14R2.256 Nc1noc(n1)c2ccccc2F 1P01BF27 [0,1,0,1,0,0|1,0,1]=4 619 B14R2.256 Nc1nsc(n1)c2ccccc2C 1P01A7BE [0,1,0,1,0,0|1,0,1]=4 620 B14R2.256 Nc1nsc(n1)c2ccccc2Cl 1P00CRJA [0,1,0,1,0,0|1,0,1]=4 621 B14R2.256 Nc1occ(n1)c2ccccc2F 1P01BGGL [0,1,0,1,0,0|2,0,0]=4 622 B14R2.256 Nc1onc(c1)c2ccccc2Br 1P000IQM [0,1,0,1,0,0|2,0,0]=4 623 B14R2.256 Nc1onc(c1)c2ccccc2C 1P00GTL4 [0,1,0,1,0,0|2,0,0]=4 624 B14R2.256 Nc1onc(c1)c2ccccc2Cl 1P00BG0P [0,1,0,1,0,0|2,0,0]=4 625 B14R2.256 Nc1onc(c1)c2ccccc2F 1P000IQO [0,1,0,1,0,0|2,0,0]=4 626 B14R2.256 Nc1onc(c1)c2ccccc2I 1P01AHB9 [0,1,0,1,0,0|2,0,0]=4 627 B14R2.256 Nc1onc(c1)c2ccccc2O 1P00ENPC [0,1,0,1,0,0|2,0,0]=4 628 B14R2.256 Nc1onc(n1)c2ccccc2Cl 1P01DTOA [0,1,0,1,0,0|1,0,0]=3 629 B14R2.256 Nc1scc(n1)c2ccccc2Br 1P003GUN [0,1,0,1,0,0|2,0,0]=4 630 B14R2.256 Nc1scc(n1)c2ccccc2C 1P003GWI [0,1,0,1,0,0|2,0,0]=4 631 B14R2.256 Nc1scc(n1)c2ccccc2Cl 1P003GUO [0,1,0,1,0,0|2,0,0]=4 632 B14R2.256 Nc1scc(n1)c2ccccc2F 1P001KXV [0,1,0,1,0,0|2,0,0]=4 633 B14R2.256 Nc1scc(n1)c2ccccc2O 1P00EJQU [0,1,0,1,0,0|2,0,0]=4 634 B14R2.256 Nc1snc(n1)c2ccccc2Cl 1P01AHOZ [0,1,0,1,0,0|1,0,0]=3 635 B14R2.256 Nc1snc(n1)c2cccnc2Cl 1P01C2PY [0,1,0,1,0,0|2,0,0]=4 636 B14R2.256 Nc1snc(n1)c2ccncc2Cl 1P01C2PV [0,1,0,1,0,0|2,0,0]=4 637 B14R2.256 Nc1snc(n1)c2ncccc2Cl 1P01C2PX [0,1,0,1,0,0|2,0,0]=4 638 B14R2.256 O=C1NN=C(C1)c2ccccc2Cl 1P00ER2E [0,1,0,1,0,0|2,0,0]=4 639 B14R2.256 Oc1ccccc1c2nnc([nH]2)S 1P00CJRD [0,1,0,1,0,0|1,0,1]=4 640 B14R2.256 Oc1onc(n1)c2ccccc2Cl 1P01A9QW [0,1,0,1,0,0|2,0,0]=4 641 B14R2.256 Sc1onc(n1)c2ccccc2C 1P019ZNT [0,1,0,1,0,0|2,0,0]=4 642 B14R2.256 Sc1onc(n1)c2ccccc2Cl 1P01A6NP [0,1,0,1,0,0|2,0,0]=4 643 B14R2.768 NC(=N)Nc1nc2c([nH]1)cccc2 1P002BIA [0,1,0,1,0,0|2,0,0]=4 644 B14R2.768 NC(=N)Nc1nc2c([nH]1)cccc2 1P00D8F4 [0,1,0,1,0,0|2,0,0]=4 645 B14R2.768 NC(=N)Nc1nc2c(o1)cccc2 1P00C9GN [0,1,0,1,0,0|2,0,0]=4 646 B14R2.781 NC(=N)N1CCc2c(C1)cccc2 1P00EBNI [0,1,0,1,0,0|1,0,1]=4 647 B14R2.781 NC(=N)N1CCc2c(C1)cccc2 1P01AB8Y [0,1,0,1,0,0|1,0,1]=4 648 B14R2.781 NC(=N)c1ccc2c(c1)cccc2 1P00E9T1 [0,1,0,1,0,0|2,0,0]=4 649 B14R2.781 NC(=N)c1ccc2c(n1)cccc2 1P0090CI [0,1,0,1,0,0|2,0,0]=4 650 B14R2.781 NC(=N)c1ncc2c(c1)cccc2 1P0090G5 [0,1,0,1,0,0|1,0,0]=3 651 B14R2.781 NC(=O)c1ncc2c(c1)cccc2 1P00DHK1 [0,1,0,1,0,0|2,0,0]=4 652 B14R2.8032 Brc1cccc2c1cnn2C(=O)C 1P003ED8 [0,1,0,1,0,0|2,0,0]=4 653 B14R2.598 Nc1sc(c(n1)c2ccccc2)Br 1P00EL9B [0,1,0,1,0,0|2,0,0]=4 654 B14R2.598 Nc1sc(c(n1)c2ccccc2)C 1P0031IL [0,1,0,1,0,0|2,0,0]=4 655 B14R2.598 Nc1sc(c(n1)c2ccccc2)C 1P00CMC4 [0,1,0,1,0,0|2,0,0]=4 656 B14R2.598 O=C1NC(=NC1c2ccccc2)N 1P00EXON [0,1,0,1,0,0|1,0,1]=4 657 B14R2.598 Sc1nc(c([nH]1)C)c2ccccc2 1P01E8YD [0,1,0,1,0,0|2,0,0]=4 658 B14R2.260 CN1N=C(CC1=O)c2ccccc2 1P00D7JW [0,1,0,1,0,0|2,0,0]=4 659 B14R2.260 Cc1[nH]c(nc1C)c2ccccc2 1P02860I [0,1,0,1,0,0|2,0,0]=4 660 B14R2.260 Cc1nc(sc1N)c2ccccc2 1P01A701 [0,1,0,1,0,0|2,0,0]=4 661 B14R2.260 Cn1cc([nH]c1=N)c2ccccc2 1P00G2HS [0,1,0,1,0,0|1,0,0]=3 662 B14R2.260 Cn1nc(cc1Br)c2ccccc2 1P00HF8E [0,1,0,1,0,0|2,0,0]=4 663 B14R2.260 Cn1nc(cc1N)c2ccccc2 1P0006MT [0,1,0,1,0,0|1,0,0]=3 664 B14R2.260 Cn1nc(cc1N)c2cccnc2 1P002WSZ [0,1,0,1,0,0|2,0,0]=4 665 B14R2.260 Cn1nc(cc1N)c2ccncc2 1P00CLUQ [0,1,0,1,0,0|2,0,0]=4 666 B14R2.260 Cn1nc(cc1O)c2ccccc2 1P00IOUC [0,1,0,1,0,0|2,0,0]=4 667 B14R2.260 Cn1nc(nc1N)c2ccccc2 1P00C9F7 [0,1,0,1,0,0|0,0,0]=2 668 B14R2.260 Nc1cc(nn1C)c2ccccn2 1P0066DW [0,1,0,1,0,0|2,0,0]=4 669 B14R2.260 Nc1nc(sc1C)c2ccccc2 1P028YZN [0,1,0,1,0,0|2,0,0]=4 670 B14R2.260 Nc1nn(nc1C)c2ccccc2 1P01FKTP [0,1,0,1,0,0|2,0,0]=4 671 B14R2.260 Nn1cc([nH]c1=S)c2ccccc2 1P001TAW [0,1,0,1,0,0|2,0,0]=4 672 B14R2.260 Nn1cc(nc1C)c2ccccc2 1P028U1F [0,1,0,1,0,0|2,0,0]=4 673 B14R2.260 Nn1cc(nc1N)c2ccccc2 1P001RSW [0,1,0,1,0,0|1,0,0]=3 674 B14R2.741 O=C1Cc2ccccc2C=NN1C 1P00C6UE [0,1,0,1,0,0|2,0,0]=4 675 B14R2.20 Brc1ccc(cc1)c2c[nH]c(=O)[nH]2 1P005P6A [0,1,0,1,0,0|2,0,0]=4 676 B14R2.20 Brc1ccc(cc1)c2c[nH]c(n2)N 1P00F4S3 [0,1,0,1,0,0|1,0,0]=3 677 B14R2.20 Brc1ccc(cc1)c2c[nH]c(n2)S 1P0073WT [0,1,0,1,0,0|2,0,0]=4 678 B14R2.20 Brc1ccc(cc1)c2coc(=N)[nH]2 1P01JRWL [0,1,0,1,0,0|2,0,0]=4 679 B14R2.20 Brc1ccc(cc1)c2csc(n2)N 1P002L5A [0,1,0,1,0,0|2,0,0]=4 680 B14R2.20 Brc1ccc(cc1)c2n[nH]c(=O)[nH]2 1P00CNIB [0,1,0,1,0,0|1,0,0]=3 681 B14R2.20 Brc1ccc(cc1)c2n[nH]c(=S)[nH]2 1P0078K5 [0,1,0,1,0,0|1,0,0]=3 682 B14R2.20 Brc1ccc(cc1)c2n[nH]c(=S)o2 1P0072IA [0,1,0,1,0,0|2,0,0]=4 683 B14R2.20 Brc1ccc(cc1)c2n[nH]c(c2)N 1P008MXP [0,1,0,1,0,0|1,0,0]=3 684 B14R2.20 Brc1ccc(cc1)c2n[nH]c(c2)O 1P00C8MU [0,1,0,1,0,0|2,0,0]=4 685 B14R2.20 Brc1ccc(cc1)c2n[nH]c(n2)C 1P01AB50 [0,1,0,1,0,0|1,0,0]=3 686 B14R2.20 Brc1ccc(cc1)c2nnc([nH]2)N 1P00DKBH [0,1,0,1,0,0|0,0,2]=4 687 B14R2.20 Brc1ccc(cc1)c2nnc(o2)N 1P00CRVE [0,1,0,1,0,0|1,0,1]=4 688 B14R2.20 Brc1ccc(cc1)c2nnc(s2)N 1P001077 [0,1,0,1,0,0|1,0,1]=4 689 B14R2.20 Brc1ccc(cc1)c2noc(c2)N 1P000IQK [0,1,0,1,0,0|2,0,0]=4 690 B14R2.20 Brc1ccc(cc1)c2noc(n2)C 1P0038RU [0,1,0,1,0,0|2,0,0]=4 691 B14R2.20 Brc1ccc(cc1)c2nsc(n2)N 1P00VVEP [0,1,0,1,0,0|1,0,0]=3 692 B14R2.20 Brc1ccc(cc1)c2o[nH]c(=O)n2 1P023TPW [0,1,0,1,0,0|2,0,0]=4 693 B14R2.20 Brc1ccc(cc1)c2scc(n2)N 1P01BVPC [0,1,0,1,0,0|2,0,0]=4 694 B14R2.20 Brc1ccc(cc1)c2snc(n2)N 1P01BJR7 [0,1,0,1,0,0|1,0,1]=4 695 B14R2.20 Brc1ccc(cc1)n2ncc(n2)N 1P028Y92 [0,1,0,1,0,0|2,0,0]=4 696 B14R2.20 Cc1ccc(cc1)c2csc(n2)N 1P002L5C [0,1,0,1,0,0|2,0,0]=4 697 B14R2.20 Cc1ccc(cc1)c2n[nH]c(c2)N 1P00G33H [0,1,0,1,0,0|1,0,0]=3 698 B14R2.20 Cc1ccc(cc1)c2nnc([nH]2)N 1P00DDAM [0,1,0,1,0,0|0,0,2]=4 699 B14R2.20 Cc1ccc(cc1)c2nnc(o2)N 1P007DZ8 [0,1,0,1,0,0|1,0,1]=4 700 B14R2.20 Cc1ccc(cc1)c2nnc(s2)N 1P00C2EY [0,1,0,1,0,0|1,0,1]=4 701 B14R2.20 Cc1ccc(cc1)c2noc(c2)N 1P002XEC [0,1,0,1,0,0|2,0,0]=4 702 B14R2.20 Cc1ccc(cc1)c2noc(n2)C 1P003NC5 [0,1,0,1,0,0|2,0,0]=4 703 B14R2.20 Cc1ccc(cc1)c2nsc(=O)[nH]2 1P028F9M [0,1,0,1,0,0|2,0,0]=4 704 B14R2.20 Clc1ccc(cc1)c2[nH][nH]c(=S)n2 1P002RVX [0,1,0,1,0,0|1,0,1]=4 705 B14R2.20 Clc1ccc(cc1)c2c[nH]c(=S)[nH]2 1P006IWT [0,1,0,1,0,0|2,0,0]=4 706 B14R2.20 Clc1ccc(cc1)c2coc(n2)N 1P0060MH [0,1,0,1,0,0|2,0,0]=4 707 B14R2.20 Clc1ccc(cc1)c2csc(n2)N 1P002L56 [0,1,0,1,0,0|2,0,0]=4 708 B14R2.20 Clc1ccc(cc1)c2n[nH]c(=S)o2 1P003MM8 [0,1,0,1,0,0|2,0,0]=4 709 B14R2.20 Clc1ccc(cc1)c2ncc([nH]2)C 1P007D8O [0,1,0,1,0,0|2,0,0]=4 710 B14R2.20 Clc1ccc(cc1)c2nnc([nH]2)N 1P005UVI [0,1,0,1,0,0|0,0,2]=4 711 B14R2.20 Clc1ccc(cc1)c2nnc(o2)N 1P003GWR [0,1,0,1,0,0|1,0,1]=4 712 B14R2.20 Clc1ccc(cc1)c2nnc(s2)N 1P003MM7 [0,1,0,1,0,0|1,0,1]=4 713 B14R2.20 Clc1ccc(cc1)c2noc(=O)[nH]2 1P0289VK [0,1,0,1,0,0|2,0,0]=4 714 B14R2.20 Clc1ccc(cc1)c2noc(c2)N 1P003IKR [0,1,0,1,0,0|2,0,0]=4 715 B14R2.20 Clc1ccc(cc1)c2noc(n2)Cl 1P019UEC [0,1,0,1,0,0|2,0,0]=4 716 B14R2.20 Clc1ccc(cc1)c2noc(n2)N 1P000B9R [0,1,0,1,0,0|1,0,0]=3 717 B14R2.20 Clc1ccc(cc1)c2nsc(n2)Cl 1P00H4PP [0,1,0,1,0,0|2,0,0]=4 718 B14R2.20 Clc1ccc(cc1)c2nsc(n2)N 1P002CFV [0,1,0,1,0,0|1,0,0]=3 719 B14R2.20 Clc1ccc(cc1)c2onc(n2)N 1P00L3J3 [0,1,0,1,0,0|1,0,1]=4 720 B14R2.20 Clc1ccc(cc1)n2ncc(n2)N 1P027VFP [0,1,0,1,0,0|2,0,0]=4 721 B14R2.20 Fc1ccc(cc1)c2[nH][nH]c(=S)n2 1P000AX3 [0,1,0,1,0,0|1,0,1]=4 722 B14R2.20 Fc1ccc(cc1)c2c[nH]c(=N)s2 1P00G3YI [0,1,0,1,0,0|2,0,0]=4 723 B14R2.20 Fc1ccc(cc1)c2c[nH]c(=S)[nH]2 1P006IWU [0,1,0,1,0,0|2,0,0]=4 724 B14R2.20 Fc1ccc(cc1)c2csc(n2)N 1P003GUT [0,1,0,1,0,0|2,0,0]=4 725 B14R2.20 Fc1ccc(cc1)c2n[nH]c(=O)o2 1P0015YP [0,1,0,1,0,0|2,0,0]=4 726 B14R2.20 Fc1ccc(cc1)c2n[nH]c(c2)C 1P00DHIZ [0,1,0,1,0,0|2,0,0]=4 727 B14R2.20 Fc1ccc(cc1)c2n[nH]c(c2)N 1P00FAYG [0,1,0,1,0,0|1,0,0]=3 728 B14R2.20 Fc1ccc(cc1)c2n[nH]c(c2)O 1P028I9T [0,1,0,1,0,0|2,0,0]=4 729 B14R2.20 Fc1ccc(cc1)c2nnc([nH]2)N 1P007BJ8 [0,1,0,1,0,0|0,0,2]=4 730 B14R2.20 Fc1ccc(cc1)c2nnc(o2)N 1P00G4YK [0,1,0,1,0,0|1,0,1]=4 731 B14R2.20 Fc1ccc(cc1)c2nnc(s2)N 1P006D68 [0,1,0,1,0,0|1,0,1]=4 732 B14R2.20 Fc1ccc(cc1)c2noc(c2)N 1P0059QI [0,1,0,1,0,0|2,0,0]=4 733 B14R2.20 Fc1ccc(cc1)c2noc(n2)C 1P0074C8 [0,1,0,1,0,0|2,0,0]=4 734 B14R2.20 Fc1ccc(cc1)c2noc(n2)Cl 1P01BVBL [0,1,0,1,0,0|2,0,0]=4 735 B14R2.20 Fc1ccc(cc1)c2noc(n2)O 1P00J5JM [0,1,0,1,0,0|2,0,0]=4 736 B14R2.20 Fc1ccc(cc1)c2nsc(n2)N 1P01AI9M [0,1,0,1,0,0|1,0,0]=3 737 B14R2.20 Fc1ccc(cc1)n2ncc(n2)N 1P027Z15 [0,1,0,1,0,0|2,0,0]=4 738 B14R2.20 Ic1ccc(cc1)c2[nH][nH]c(=N)c2 1P00BZDN [0,1,0,1,0,0|1,0,1]=4 739 B14R2.20 Ic1ccc(cc1)c2csc(n2)N 1P003GUU [0,1,0,1,0,0|2,0,0]=4 740 B14R2.20 Ic1ccc(cc1)c2n[nH]c(n2)C 1P019SJN [0,1,0,1,0,0|1,0,0]=3 741 B14R2.20 Ic1ccc(cc1)c2noc(=O)[nH]2 1P0281LM [0,1,0,1,0,0|2,0,0]=4 742 B14R2.20 Ic1ccc(cc1)c2noc(c2)N 1P01A8M8 [0,1,0,1,0,0|2,0,0]=4 743 B14R2.20 Nc1ccc(cc1)c2c[nH]c(=O)[nH]2 1P001GE3 [0,1,0,1,0,0|2,0,0]=4 744 B14R2.20 Nc1ccc(cc1)c2c[nH]c(n2)N 1P027XSK [0,1,0,1,0,0|1,0,0]=3 745 B14R2.20 Nc1ccc(cc1)c2csc(n2)N 1P0078VS [0,1,0,1,0,0|2,0,0]=4 746 B14R2.20 Nc1ccc(cc1)c2n[nH]c(=O)[nH]2 1P01AL9W [0,1,0,1,0,0|1,0,0]=3 747 B14R2.20 Nc1ccc(cc1)c2n[nH]c(=O)o2 1P0078JL [0,1,0,1,0,0|2,0,0]=4 748 B14R2.20 Nc1ccc(cc1)c2n[nH]c(=S)o2 1P00CKN9 [0,1,0,1,0,0|2,0,0]=4 749 B14R2.20 Nc1ccc(cc1)c2n[nH]c(c2)N 1P00EAFT [0,1,0,1,0,0|1,0,0]=3 750 B14R2.20 Nc1ccc(cc1)c2n[nH]c(n2)N 1P01BJDH [0,1,0,1,0,0|0,0,0]=2 751 B14R2.20 Nc1ccc(cc1)c2ncc([nH]2)C 1P01B2DC [0,1,0,1,0,0|2,0,0]=4 752 B14R2.20 Nc1ccc(cc1)c2ncc([nH]2)C 1P024UO9 [0,1,0,1,0,0|2,0,0]=4 753 B14R2.20 Nc1ccc(cc1)c2nnc([nH]2)C 1P00D8TB [0,1,0,1,0,0|1,0,1]=4 754 B14R2.20 Nc1ccc(cc1)c2noc(=O)[nH]2 1P00HTOP [0,1,0,1,0,0|2,0,0]=4 755 B14R2.20 Nc1ccc(cc1)c2noc(n2)C 1P000679 [0,1,0,1,0,0|2,0,0]=4 756 B14R2.20 O=C1NN=C(C1)c2ccc(cc2)N 1P0085VW [0,1,0,1,0,0|2,0,0]=4 757 B14R2.20 Oc1ccc(cc1)c2c[nH]c(n2)Br 1P0289ZD [0,1,0,1,0,0|2,0,0]=4 758 B14R2.20 Oc1ccc(cc1)c2csc(n2)N 1P003KFJ [0,1,0,1,0,0|2,0,0]=4 759 B14R2.20 Oc1ccc(cc1)c2n[nH]c(n2)N 1P01A9XI [0,1,0,1,0,0|0,0,0]=2 760 B14R2.20 Oc1ccc(cc1)c2nnc(o2)N 1P0020JZ [0,1,0,1,0,0|1,0,1]=4 761 B14R2.20 Oc1ccc(cc1)c2nnc(s2)N 1P00EB9N [0,1,0,1,0,0|1,0,1]=4 762 B14R2.20 Oc1ccc(cc1)c2noc(c2)N 1P004BSO [0,1,0,1,0,0|2,0,0]=4 763 B14R2.20 Oc1ccc(cc1)c2noc(n2)C 1P00DBXC [0,1,0,1,0,0|2,0,0]=4 764 B14R2.20 Oc1ccc(cc1)c2noc(n2)O 1P01B299 [0,1,0,1,0,0|2,0,0]=4 765 B14R2.20 Oc1ccc(cc1)c2nsc(n2)N 1P01AB36 [0,1,0,1,0,0|1,0,0]=3 766 B14R2.20 Oc1ccc(cc1)c2nsc(n2)N 1P028HIX [0,1,0,1,0,0|1,0,0]=3 767 B14R2.5816 Brc1ccc2c(c1)n(nc2)C(=O)C 1P00H7R2 [0,1,0,1,0,0|2,0,0]=4 768 B14R2.5816 Nc1ccc2c(c1)n(nc2)C(=O)N 1P028WHO [0,1,0,1,0,0|1,0,0]=3 769 B14R2.8 BrCc1nnc([nH]1)c2ccccc2 1P0290JT [0,1,0,1,0,0|1,0,1]=4 770 B14R2.8 BrCc1snc(n1)c2ccccc2 1P01DWG3 [0,1,0,1,0,0|2,0,0]=4 771 B14R2.8 C=Cc1onc(n1)c2ccccc2 1P01AHM9 [0,1,0,1,0,0|2,0,0]=4 772 B14R2.8 CNc1nnc([nH]1)c2ccccc2 1P01C52K [0,1,0,1,0,0|0,0,2]=4 773 B14R2.8 CNc1nnc(o1)c2ccccc2 1P028BKH [0,1,0,1,0,0|1,0,1]=4 774 B14R2.8 CNc1nnc(s1)c2ccccc2 1P019TG5 [0,1,0,1,0,0|1,0,1]=4 775 B14R2.8 CNc1occ(n1)c2ccccc2 1P021046 [0,1,0,1,0,0|2,0,0]=4 776 B14R2.8 CNc1onc(n1)c2ccccc2 1P00HZ6Z [0,1,0,1,0,0|1,0,0]=3 777 B14R2.8 CNc1scc(n1)c2ccccc2 1P01CBLF [0,1,0,1,0,0|2,0,0]=4 778 B14R2.8 CNc1snc(n1)c2ccccc2 1P01DZBX [0,1,0,1,0,0|1,0,0]=3 779 B14R2.8 COc1cnc([nH]1)c2ccccc2 1P000YRA [0,1,0,1,0,0|2,0,0]=4 780 B14R2.8 CSc1[nH]cc(n1)c2ccccc2 1P007NRB [0,1,0,1,0,0|2,0,0]=4 781 B14R2.8 ClCc1[nH]nc(c1)c2ccccc2 1P01V6FI [0,1,0,1,0,0|2,0,0]=4 782 B14R2.8 ClCc1cnc([nH]1)c2ccccc2 1P027ZUO [0,1,0,1,0,0|2,0,0]=4 783 B14R2.8 ClCc1onc(n1)c2ccccc2 1P0023XS [0,1,0,1,0,0|2,0,0]=4 784 B14R2.8 ClCc1snc(n1)c2ccccc2 1P028NBF [0,1,0,1,0,0|2,0,0]=4 785 B14R2.8 N#Cc1onc(n1)c2ccccc2 1P01DT9S [0,1,0,1,0,0|1,0,1]=4 786 B14R2.8 NCc1[nH]cc(n1)c2ccccc2 1P018HCT [0,1,0,1,0,0|1,0,0]=3 787 B14R2.8 NCc1[nH]nc(n1)c2ccccc2 1P009J9H [0,1,0,1,0,0|0,0,0]=2 788 B14R2.8 NCc1[nH]nc(n1)c2ccccn2 1P00JJAC [0,1,0,1,0,0|1,0,0]=3 789 B14R2.8 NCc1[nH]nc(n1)c2cccnc2 1P01AB81 [0,1,0,1,0,0|1,0,0]=3 790 B14R2.8 NCc1[nH]nc(n1)c2ccncc2 1P00J1PB [0,1,0,1,0,0|1,0,0]=3 791 B14R2.8 NCc1c[nH]c(n1)c2ccccc2 1P01DR9T [0,1,0,1,0,0|1,0,1]=4 792 B14R2.8 NCc1cnc(o1)c2ccccc2 1P01EJOP [0,1,0,1,0,0|2,0,0]=4 793 B14R2.8 NCc1cnc(s1)c2ccccc2 1P00BDAS [0,1,0,1,0,0|2,0,0]=4 794 B14R2.8 NCc1cnn(n1)c2ccccc2 1P00H59G [0,1,0,1,0,0|2,0,0]=4 795 B14R2.8 NCc1coc(n1)c2ccccc2 1P0074L2 [0,1,0,1,0,0|2,0,0]=4 796 B14R2.8 NCc1coc(n1)c2ccccc2 1P00CKLP [0,1,0,1,0,0|2,0,0]=4 797 B14R2.8 NCc1csc(n1)c2ccccc2 1P00J3SO [0,1,0,1,0,0|2,0,0]=4 798 B14R2.8 NCc1csc(n1)c2ccccc2 1P01A120 [0,1,0,1,0,0|2,0,0]=4 799 B14R2.8 NCc1nnc([nH]1)c2ccccc2 1P00J3TZ [0,1,0,1,0,0|0,0,2]=4 800 B14R2.8 NCc1nnc(o1)c2ccccc2 1P0090SL [0,1,0,1,0,0|1,0,1]=4 801 B14R2.8 NCc1nnc(o1)c2ccccc2 1P00J3S9 [0,1,0,1,0,0|1,0,1]=4 802 B14R2.8 NCc1nnc(s1)c2ccccc2 1P01A0D0 [0,1,0,1,0,0|1,0,1]=4 803 B14R2.8 NCc1noc(n1)c2ccccc2 1P00H4K3 [0,1,0,1,0,0|1,0,1]=4 804 B14R2.8 NCc1noc(n1)c2ccccc2 1P00J1OT [0,1,0,1,0,0|1,0,1]=4 805 B14R2.8 NCc1onc(c1)c2ccccc2 1P009XU1 [0,1,0,1,0,0|2,0,0]=4 806 B14R2.8 NCc1onc(c1)c2ccccc2 1P00D8SN [0,1,0,1,0,0|2,0,0]=4 807 B14R2.8 NCc1onc(n1)c2ccccc2 1P006CWM [0,1,0,1,0,0|1,0,0]=3 808 B14R2.8 NCc1onc(n1)c2ccccc2 1P00J3U8 [0,1,0,1,0,0|1,0,0]=3 809 B14R2.8 NCc1onc(n1)c2ccccn2 1P00J1TD [0,1,0,1,0,0|2,0,0]=4 810 B14R2.8 NCc1onc(n1)c2ccccn2 1P01AAQ0 [0,1,0,1,0,0|2,0,0]=4 811 B14R2.8 NCc1onc(n1)c2cccnc2 1P00IH8O [0,1,0,1,0,0|2,0,0]=4 812 B14R2.8 NCc1onc(n1)c2cccnc2 1P00J1SY [0,1,0,1,0,0|2,0,0]=4 813 B14R2.8 NCc1onc(n1)c2cccnc2 1P019UH8 [0,1,0,1,0,0|2,0,0]=4 814 B14R2.8 NCc1onc(n1)c2ccncc2 1P019VFM [0,1,0,1,0,0|2,0,0]=4 815 B14R2.8 NCc1scc(n1)c2ccccc2 1P006GWF [0,1,0,1,0,0|2,0,0]=4 816 B14R2.8 NCc1snc(c1)c2ccccc2 1P01BY8H [0,1,0,1,0,0|2,0,0]=4 817 B14R2.8 NCc1snc(n1)c2ccccc2 1P027ZW7 [0,1,0,1,0,0|1,0,0]=3 818 B14R2.8 NN=c1[nH]nc(s1)c2ccccc2 1P0010Y3 [0,1,0,1,0,0|1,0,0]=3 819 B14R2.8 NNc1onc(n1)c2ccccc2 1P01AA2E [0,1,0,1,0,0|1,0,0]=3 820 B14R2.8 NNc1onc(n1)c2cccnc2 1P01A9P2 [0,1,0,1,0,0|2,0,0]=4 821 B14R2.8 NNc1scc(n1)c2ccccc2 1P0021N1 [0,1,0,1,0,0|2,0,0]=4 822 B14R2.8 NNc1scc(n1)c2ccccc2 1P00C7S8 [0,1,0,1,0,0|2,0,0]=4 823 B14R2.8 OCc1[nH]nc(c1)c2ccccc2 1P00ADF7 [0,1,0,1,0,0|2,0,0]=4 824 B14R2.8 OCc1onc(n1)c2ccccc2 1P00DDCE [0,1,0,1,0,0|2,0,0]=4 825 B14R2.8 OCc1snc(n1)c2ccccc2 1P020KR4 [0,1,0,1,0,0|2,0,0]=4 826 B14R2.4514 Brc1c(N)[nH]nc1c2ccccc2 1P003LFA [0,1,0,1,0,0|1,0,0]=3 827 B14R2.4514 Cc1c(N)[nH]nc1c2ccccc2 1P0045LY [0,1,0,1,0,0|1,0,0]=3 828 B14R2.4514 Cc1c(N)[nH]nc1c2ccccc2 1P01AJEU [0,1,0,1,0,0|1,0,0]=3 829 B14R2.4514 Cc1c(N)[nH]nc1c2ccncc2 1P019YEZ [0,1,0,1,0,0|2,0,0]=4 830 B14R2.4514 Cc1onc(c1N)c2ccccc2 1P01EIQR [0,1,0,1,0,0|2,0,0]=4 831 B14R2.4514 Cn1c(=O)[nH]cc1c2ccccc2 1P01B9SM [0,1,0,1,0,0|2,0,0]=4 832 B14R2.4514 Cn1c(=O)[nH]nc1c2ccccc2 1P028N9Z [0,1,0,1,0,0|1,0,0]=3 833 B14R2.4514 Cn1c(=O)[nH]nc1c2ccncc2 1P028MOP [0,1,0,1,0,0|2,0,0]=4 834 B14R2.4514 Cn1c(Br)cnc1c2ccccc2 1P019FC8 [0,1,0,1,0,0|2,0,0]=4 835 B14R2.4514 Cn1c(Cl)cnc1c2ccccc2 1P005JLL [0,1,0,1,0,0|2,0,0]=4 836 B14R2.4514 Cn1c(Cl)nnc1c2ccccc2 1P019LZL [0,1,0,1,0,0|1,0,1]=4 837 B14R2.4514 Cn1c(I)cnc1c2ccccc2 1P019FC9 [0,1,0,1,0,0|2,0,0]=4 838 B14R2.4514 Cn1c(S)nnc1c2ccccc2 1P0077SO [0,1,0,1,0,0|1,0,1]=4 839 B14R2.4514 Nc1onc(c1C)c2ccccc2 1P0074SY [0,1,0,1,0,0|2,0,0]=4 840 B14R2.4514 Nc1snc(c1Br)c2ccccc2 1P02838O [0,1,0,1,0,0|2,0,0]=4 841 B14R2.4514 Nc1snc(c1C)c2ccccc2 1P006LMK [0,1,0,1,0,0|2,0,0]=4 842 B14R2.4514 Nc1snc(c1Cl)c2ccccc2 1P02854A [0,1,0,1,0,0|2,0,0]=4 843 B14R2.4514 Nn1c(S)nnc1c2ccccc2 1P00BDIH [0,1,0,1,0,0|1,0,1]=4 844 B14R2.4514 O=c1[nH][nH]c(c1N)c2ccccc2 1P01C52I [0,1,0,1,0,0|1,0,1]=4 845 B10R1.18 BrC(=Cc1ccccc1)Br 1P003C10 [0,0,0,0,2,0|2,0,0]=4 846 B10R1.18 CC(=Cc1ccccc1)C 1P003I29 [0,0,0,0,2,0|2,0,0]=4 847 B10R1.18 CC(=O)Nc1ccccc1 1P0034W2 [0,0,0,0,2,0|2,0,0]=4 848 B10R1.18 CC(=S)Nc1ccccc1 1P003V8U [0,0,0,0,2,0|2,0,0]=4 849 B10R1.18 ClC(=Cc1ccccc1)Cl 1P00FH9O [0,0,0,0,2,0|2,0,0]=4 850 B10R1.18 ClC(=O)Nc1ccccc1 1P01B2IA [0,0,0,0,2,0|2,0,0]=4 851 B10R1.18 NC(=N)Cc1ccccc1 1P002QJI [0,0,0,0,2,0|0,0,1]=3 852 B10R1.18 NC(=N)Cc1ccccn1 1P00914U [0,0,0,0,2,0|1,0,1]=4 853 B10R1.18 NC(=N)Cc1cccnc1 1P00J2G5 [0,0,0,0,2,0|1,0,1]=4 854 B10R1.18 NC(=N)Cc1ccncc1 1P01C5XH [0,0,0,0,2,0|1,0,1]=4 855 B10R1.18 NC(=N)Cc1ccncc1 1P01C62X [0,0,0,0,2,0|1,0,1]=4 856 B10R1.18 NC(=N)Nc1ccccc1 1P002D2V [0,0,0,0,2,0|0,0,0]=2 857 B10R1.18 NC(=N)Nc1ccccc1 1P003U6D [0,0,0,0,2,0|0,0,0]=2 858 B10R1.18 NC(=N)Nc1cccnc1 1P02804D [0,0,0,0,2,0|1,0,0]=3 859 B10R1.18 NC(=O)Cc1ccccc1 1P0032QS [0,0,0,0,2,0|1,0,1]=4 860 B10R1.18 NC(=O)Nc1ccccc1 1P00E9LB [0,0,0,0,2,0|1,0,0]=3 861 B10R1.18 NC(=O)Nc1ccccn1 1P000W31 [0,0,0,0,2,0|2,0,0]=4 862 B10R1.18 NC(=O)Nc1cccnc1 1P000W30 [0,0,0,0,2,0|2,0,0]=4 863 B10R1.18 NC(=O)Nc1ccncc1 1P0011DS [0,0,0,0,2,0|2,0,0]=4 864 B10R1.18 NC(=O)Oc1ccccc1 1P003U5L [0,0,0,0,2,0|2,0,0]=4 865 B10R1.18 NC(=S)Cc1ccccc1 1P0032QT [0,0,0,0,2,0|1,0,1]=4 866 B10R1.18 NC(=S)Nc1ccccn1 1P003BQD [0,0,0,0,2,0|2,0,0]=4 867 B10R1.18 NC(=S)Nc1cccnc1 1P003KD0 [0,0,0,0,2,0|2,0,0]=4 868 B10R1.18 OC(=O)Nc1ccccc1 1P007CT0 [0,0,0,0,2,0|2,0,0]=4 869 B10R1.66 NC(=N)NCc1ccco1 1P01EKJD [0,0,0,0,2,0|1,0,1]=4 870 B14R1.422 NC(=N)NCCCOc1ccccc1 1P027Y6V [0,0,0,0,0,2|1,0,1]=4 871 B14R1.422 NC(=N)NCCOCc1ccccc1 1P027XWT [0,0,0,0,0,2|1,0,1]=4 872 B14R1.422 NC(=N)NCCOCc1ccccc1 1P028U5T [0,0,0,0,0,2|1,0,1]=4