0 B8R1.1 BrCc1ccc(s1)Br 1P00EE3T [0,0,0,0,0,0|2,1,0]=3 1 B8R1.1 BrCc1cnc(s1)Br 1P00105F [0,0,0,0,0,0|3,1,0]=4 2 B8R1.1 BrCc1cnn(c1)C 1P00DM2I [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 BrCc1csc(c1)Br 1P019NB4 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 BrCc1csc(c1)Cl 1P01ANP6 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 BrCc1csc(n1)Br 1P0022LM [0,0,0,0,0,0|4,0,0]=4 6 B8R1.1 BrCc1ncc(s1)Br 1P01A64K [0,0,0,0,0,0|3,1,0]=4 7 B8R1.1 BrCc1ncn(n1)C 1P02843L [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 BrCc1noc(n1)C 1P00J379 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.1 BrCc1scc(c1)Br 1P00GAGV [0,0,0,0,0,0|4,0,0]=4 10 B8R1.1 BrCc1scc(n1)Br 1P02843G [0,0,0,0,0,0|4,0,0]=4 11 B8R1.1 Brc1ccc([nH]1)C#N 1P00CN88 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.1 Brc1ccc([nH]1)C=O 1P006635 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.1 Brc1ccc(o1)C#N 1P00DJW7 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.1 Brc1ccc(o1)C=O 1P002EKQ [0,0,0,0,0,0|1,0,2]=3 15 B8R1.1 Brc1ccc(s1)C#C 1P00853J [0,0,0,0,0,0|2,1,1]=4 16 B8R1.1 Brc1ccc(s1)C#N 1P003N1T [0,0,0,0,0,0|2,1,1]=4 17 B8R1.1 Brc1ccc(s1)C=O 1P0038BE [0,0,0,0,0,0|1,1,2]=4 18 B8R1.1 Brc1ncc(o1)C#N 1P020LQ0 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.1 CC1=NC=C(C#C)S1 1P01FX4I [0,0,0,0,0,0|2,1,1]=4 20 B8R1.1 CC1=NOC(C1)CO 1P00JCPJ [0,0,0,0,0,0|3,0,1]=4 21 B8R1.1 CC1CC(=NO1)CO 1P028JNX [0,0,0,0,0,0|3,0,1]=4 22 B8R1.1 CC1CCC(O1)CO 1P003AXQ [0,0,0,0,0,0|0,0,4]=4 23 B8R1.1 CC1OC(CO1)CO 1P0078G0 [0,0,0,0,0,0|1,0,3]=4 24 B8R1.1 CCN1C=C[NH+](C1)C 1P001KY1 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.1 CCN1C=C[NH+](C1)C 1P0020H9 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.1 CC[n+]1ccn(c1)C 1P0038KD [0,0,0,0,0,0|4,0,0]=4 27 B8R1.1 CC[n+]1ccn(c1)C 1P003BIC [0,0,0,0,0,0|4,0,0]=4 28 B8R1.1 CC[n+]1ccn(c1)C 1P003ERH [0,0,0,0,0,0|4,0,0]=4 29 B8R1.1 CC[n+]1ccn(c1)C 1P003ERK [0,0,0,0,0,0|4,0,0]=4 30 B8R1.1 CC[n+]1ccn(c1)C 1P007HMM [0,0,0,0,0,0|4,0,0]=4 31 B8R1.1 CCc1[nH]nc(n1)C 1P01AIUA [0,0,0,0,0,0|4,0,0]=4 32 B8R1.1 CCc1c[nH]c(=O)[nH]1 1P004V42 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.1 CCc1c[nH]c(n1)N 1P01K4BQ [0,0,0,0,0,0|4,0,0]=4 34 B8R1.1 CCc1c[nH]c(n1)S 1P01A0M7 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.1 CCc1cc(cs1)Br 1P01AOZS [0,0,0,0,0,0|4,0,0]=4 36 B8R1.1 CCc1ccc(o1)C 1P0039DO [0,0,0,0,0,0|1,0,0]=1 37 B8R1.1 CCc1ccc(s1)Br 1P00ECEK [0,0,0,0,0,0|2,1,0]=3 38 B8R1.1 CCc1ccc(s1)C 1P003HNV [0,0,0,0,0,0|1,1,0]=2 39 B8R1.1 CCc1ccc(s1)O 1P01DXA4 [0,0,0,0,0,0|2,1,0]=3 40 B8R1.1 CCc1ccc(s1)S 1P01BJP5 [0,0,0,0,0,0|2,1,0]=3 41 B8R1.1 CCc1ccn(n1)C 1P00I66E [0,0,0,0,0,0|3,0,0]=3 42 B8R1.1 CCc1cnc([nH]1)Br 1P0224G8 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.1 CCc1cnc(o1)Br 1P01BIV2 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.1 CCc1cnc(o1)Cl 1P028J9N [0,0,0,0,0,0|3,0,0]=3 45 B8R1.1 CCc1cnc(o1)N 1P019YWP [0,0,0,0,0,0|3,0,0]=3 46 B8R1.1 CCc1cnc(s1)Br 1P00AO2J [0,0,0,0,0,0|3,1,0]=4 47 B8R1.1 CCc1cnc(s1)Cl 1P00GML7 [0,0,0,0,0,0|3,1,0]=4 48 B8R1.1 CCc1cnc(s1)N 1P0037QG [0,0,0,0,0,0|3,1,0]=4 49 B8R1.1 CCc1cnc(s1)N 1P01CD9U [0,0,0,0,0,0|3,1,0]=4 50 B8R1.1 CCc1coc(n1)Br 1P01BB5C [0,0,0,0,0,0|4,0,0]=4 51 B8R1.1 CCc1coc(n1)I 1P02928W [0,0,0,0,0,0|4,0,0]=4 52 B8R1.1 CCc1coc(n1)N 1P01B8TQ [0,0,0,0,0,0|4,0,0]=4 53 B8R1.1 CCc1csc(=O)[nH]1 1P01ANOJ [0,0,0,0,0,0|4,0,0]=4 54 B8R1.1 CCc1csc(=S)[nH]1 1P01ACVC [0,0,0,0,0,0|4,0,0]=4 55 B8R1.1 CCc1csc(c1)C 1P0012TP [0,0,0,0,0,0|3,0,0]=3 56 B8R1.1 CCc1csc(n1)Br 1P00GUYM [0,0,0,0,0,0|4,0,0]=4 57 B8R1.1 CCc1csc(n1)Cl 1P00H739 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.1 CCc1csc(n1)F 1P01BTYJ [0,0,0,0,0,0|4,0,0]=4 59 B8R1.1 CCc1csc(n1)N 1P00C90S [0,0,0,0,0,0|4,0,0]=4 60 B8R1.1 CCc1csc(n1)N 1P00J3VY [0,0,0,0,0,0|4,0,0]=4 61 B8R1.1 CCc1n[nH]c(=S)o1 1P01EIR5 [0,0,0,0,0,0|4,0,0]=4 62 B8R1.1 CCc1nc(cs1)Br 1P00HFS3 [0,0,0,0,0,0|4,0,0]=4 63 B8R1.1 CCc1ncc([nH]1)Br 1P001DNI [0,0,0,0,0,0|4,0,0]=4 64 B8R1.1 CCc1ncc([nH]1)C 1P003HNU [0,0,0,0,0,0|3,0,0]=3 65 B8R1.1 CCc1ncc([nH]1)I 1P01DX7U [0,0,0,0,0,0|4,0,0]=4 66 B8R1.1 CCc1ncc(o1)Br 1P01ELL1 [0,0,0,0,0,0|3,0,0]=3 67 B8R1.1 CCc1ncn(c1)C 1P01C101 [0,0,0,0,0,0|4,0,0]=4 68 B8R1.1 CCc1nnc(o1)Br 1P023OH3 [0,0,0,0,0,0|4,0,0]=4 69 B8R1.1 CCc1nnc(o1)Cl 1P01DZ5Z [0,0,0,0,0,0|4,0,0]=4 70 B8R1.1 CCc1nnc(o1)N 1P00C964 [0,0,0,0,0,0|4,0,0]=4 71 B8R1.1 CCc1nnc(o1)O 1P00D3D6 [0,0,0,0,0,0|4,0,0]=4 72 B8R1.1 CCc1scc(n1)C 1P001PGP [0,0,0,0,0,0|3,0,0]=3 73 B8R1.1 CCn1cc[n+](c1)C 1P001OBY [0,0,0,0,0,0|4,0,0]=4 74 B8R1.1 CCn1cc[n+](c1)C 1P003AYL [0,0,0,0,0,0|4,0,0]=4 75 B8R1.1 CCn1cc[n+](c1)C 1P003BIB [0,0,0,0,0,0|4,0,0]=4 76 B8R1.1 CCn1cc[n+](c1)C 1P003BID [0,0,0,0,0,0|4,0,0]=4 77 B8R1.1 CCn1cc[n+](c1)C 1P003ERJ [0,0,0,0,0,0|4,0,0]=4 78 B8R1.1 CCn1cc[n+](c1)C 1P003ERL [0,0,0,0,0,0|4,0,0]=4 79 B8R1.1 CCn1cc[n+](c1)C 1P003ERM [0,0,0,0,0,0|4,0,0]=4 80 B8R1.1 CCn1cc[n+](c1)C 1P003ERN [0,0,0,0,0,0|4,0,0]=4 81 B8R1.1 CCn1cc[n+](c1)C 1P0053QX [0,0,0,0,0,0|4,0,0]=4 82 B8R1.1 CCn1cc[n+](c1)C 1P00DCGF [0,0,0,0,0,0|4,0,0]=4 83 B8R1.1 CCn1cc[n+](c1)C 1P00H1OE [0,0,0,0,0,0|4,0,0]=4 84 B8R1.1 CCn1cc[n+](c1)C 1P00ID7X [0,0,0,0,0,0|4,0,0]=4 85 B8R1.1 CCn1cc[n+](c1)C 1P00IISX [0,0,0,0,0,0|4,0,0]=4 86 B8R1.1 CCn1ccc(n1)Br 1P009BLV [0,0,0,0,0,0|4,0,0]=4 87 B8R1.1 CCn1ccc(n1)C 1P0030KV [0,0,0,0,0,0|3,0,0]=3 88 B8R1.1 CCn1ccc(n1)C 1P01C0XS [0,0,0,0,0,0|3,0,0]=3 89 B8R1.1 CCn1ccc(n1)Cl 1P01KZM4 [0,0,0,0,0,0|4,0,0]=4 90 B8R1.1 CCn1ccc(n1)N 1P00D912 [0,0,0,0,0,0|4,0,0]=4 91 B8R1.1 CCn1ccc(n1)O 1P01DT9N [0,0,0,0,0,0|4,0,0]=4 92 B8R1.1 CCn1ncc(c1)C 1P01APCE [0,0,0,0,0,0|4,0,0]=4 93 B8R1.1 CNc1ccn(n1)C 1P01ADOO [0,0,0,0,0,0|4,0,0]=4 94 B8R1.1 CNc1ncc(s1)C 1P019DQ8 [0,0,0,0,0,0|3,1,0]=4 95 B8R1.1 CNc1ncc(s1)C 1P01FKWA [0,0,0,0,0,0|3,1,0]=4 96 B8R1.1 CNc1scc(n1)C 1P007Q89 [0,0,0,0,0,0|4,0,0]=4 97 B8R1.1 COc1ccc(s1)Br 1P003H6P [0,0,0,0,0,0|3,1,0]=4 98 B8R1.1 COc1cnc(s1)C 1P00BXUC [0,0,0,0,0,0|3,1,0]=4 99 B8R1.1 C[C@H]1CC[C@H](O1)CO 1P00B5PB [0,0,0,0,0,0|0,0,4]=4 100 B8R1.1 Cc1c[nH]c(n1)C#N 1P00FFU1 [0,0,0,0,0,0|3,0,1]=4 101 B8R1.1 Cc1c[nH]c(n1)CBr 1P0286E1 [0,0,0,0,0,0|3,0,0]=3 102 B8R1.1 Cc1c[nH]c(n1)CCl 1P01EMA8 [0,0,0,0,0,0|3,0,0]=3 103 B8R1.1 Cc1cc([nH]c1)C=O 1P006Y3A [0,0,0,0,0,0|2,0,2]=4 104 B8R1.1 Cc1cc([nH]n1)CN 1P00DDAT [0,0,0,0,0,0|4,0,0]=4 105 B8R1.1 Cc1cc([nH]n1)CN 1P00J1L2 [0,0,0,0,0,0|4,0,0]=4 106 B8R1.1 Cc1cc([nH]n1)CO 1P00AMG5 [0,0,0,0,0,0|3,0,0]=3 107 B8R1.1 Cc1cc(n[nH]1)CCl 1P024Q2W [0,0,0,0,0,0|4,0,0]=4 108 B8R1.1 Cc1cc(n[nH]1)CO 1P0021VE [0,0,0,0,0,0|3,0,0]=3 109 B8R1.1 Cc1cc(no1)CBr 1P000V6J [0,0,0,0,0,0|4,0,0]=4 110 B8R1.1 Cc1cc(no1)CCl 1P00I7FL [0,0,0,0,0,0|4,0,0]=4 111 B8R1.1 Cc1cc(no1)CN 1P007HB0 [0,0,0,0,0,0|4,0,0]=4 112 B8R1.1 Cc1cc(no1)CN 1P008SBK [0,0,0,0,0,0|4,0,0]=4 113 B8R1.1 Cc1cc(no1)CO 1P003K19 [0,0,0,0,0,0|3,0,0]=3 114 B8R1.1 Cc1cc(no1)CS 1P01CAMG [0,0,0,0,0,0|3,1,0]=4 115 B8R1.1 Cc1cc(ns1)CCl 1P0280TX [0,0,0,0,0,0|4,0,0]=4 116 B8R1.1 Cc1cc(ns1)CO 1P00AO1D [0,0,0,0,0,0|3,0,0]=3 117 B8R1.1 Cc1cc(oc1)C=O 1P00I6ZP [0,0,0,0,0,0|2,0,2]=4 118 B8R1.1 Cc1cc(oc1)CO 1P01BUE0 [0,0,0,0,0,0|2,0,0]=2 119 B8R1.1 Cc1cc(on1)CBr 1P00C8P2 [0,0,0,0,0,0|4,0,0]=4 120 B8R1.1 Cc1cc(on1)CCl 1P00I8DH [0,0,0,0,0,0|4,0,0]=4 121 B8R1.1 Cc1cc(on1)CN 1P0039IC [0,0,0,0,0,0|4,0,0]=4 122 B8R1.1 Cc1cc(on1)CN 1P00FGSG [0,0,0,0,0,0|4,0,0]=4 123 B8R1.1 Cc1cc(on1)CO 1P001F53 [0,0,0,0,0,0|3,0,0]=3 124 B8R1.1 Cc1cc(on1)CS 1P02920V [0,0,0,0,0,0|3,1,0]=4 125 B8R1.1 Cc1cc(sc1)C#N 1P00FEKB [0,0,0,0,0,0|3,0,1]=4 126 B8R1.1 Cc1cc(sc1)C=O 1P003M9N [0,0,0,0,0,0|2,0,2]=4 127 B8R1.1 Cc1cc(sc1)CN 1P01C1JY [0,0,0,0,0,0|3,0,0]=3 128 B8R1.1 Cc1cc(sc1)CO 1P005M4K [0,0,0,0,0,0|2,0,0]=2 129 B8R1.1 Cc1cc(sn1)CCl 1P01BU65 [0,0,0,0,0,0|4,0,0]=4 130 B8R1.1 Cc1cc(sn1)CN 1P023OR9 [0,0,0,0,0,0|4,0,0]=4 131 B8R1.1 Cc1cc(sn1)CO 1P01BEOL [0,0,0,0,0,0|3,0,0]=3 132 B8R1.1 Cc1ccc([nH]1)C#N 1P002SHE [0,0,0,0,0,0|2,0,1]=3 133 B8R1.1 Cc1ccc([nH]1)C=O 1P000ISW [0,0,0,0,0,0|1,0,2]=3 134 B8R1.1 Cc1ccc(o1)C#N 1P0070KY [0,0,0,0,0,0|1,0,1]=2 135 B8R1.1 Cc1ccc(o1)C=C 1P007GDE [0,0,0,0,0,0|1,0,1]=2 136 B8R1.1 Cc1ccc(o1)C=O 1P003NCN [0,0,0,0,0,0|0,0,2]=2 137 B8R1.1 Cc1ccc(o1)CN 1P001CFL [0,0,0,0,0,0|1,0,0]=1 138 B8R1.1 Cc1ccc(o1)CO 1P003NBO [0,0,0,0,0,0|0,0,0]=0 139 B8R1.1 Cc1ccc(o1)CS 1P00EK7C [0,0,0,0,0,0|0,1,0]=1 140 B8R1.1 Cc1ccc(s1)C#C 1P0053L5 [0,0,0,0,0,0|1,1,1]=3 141 B8R1.1 Cc1ccc(s1)C#N 1P006123 [0,0,0,0,0,0|1,1,1]=3 142 B8R1.1 Cc1ccc(s1)C=O 1P0012UA [0,0,0,0,0,0|0,1,2]=3 143 B8R1.1 Cc1ccc(s1)CBr 1P028X3V [0,0,0,0,0,0|1,1,0]=2 144 B8R1.1 Cc1ccc(s1)CN 1P0085BO [0,0,0,0,0,0|1,1,0]=2 145 B8R1.1 Cc1ccc(s1)CN 1P00AKVE [0,0,0,0,0,0|1,1,0]=2 146 B8R1.1 Cc1ccc(s1)CO 1P00EGD8 [0,0,0,0,0,0|0,1,0]=1 147 B8R1.1 Cc1cn(nc1)CCl 1P01FIOM [0,0,0,0,0,0|4,0,0]=4 148 B8R1.1 Cc1cnc([nH]1)C=O 1P000AAF [0,0,0,0,0,0|2,0,2]=4 149 B8R1.1 Cc1cnc([nH]1)CO 1P002G9Q [0,0,0,0,0,0|2,0,0]=2 150 B8R1.1 Cc1cnc(o1)C=O 1P00VVHM [0,0,0,0,0,0|1,0,2]=3 151 B8R1.1 Cc1cnc(o1)CCl 1P019SFT [0,0,0,0,0,0|2,0,0]=2 152 B8R1.1 Cc1cnc(o1)CN 1P00ILCU [0,0,0,0,0,0|2,0,0]=2 153 B8R1.1 Cc1cnc(o1)CN 1P00VSR9 [0,0,0,0,0,0|2,0,0]=2 154 B8R1.1 Cc1cnc(o1)CO 1P00VVV6 [0,0,0,0,0,0|1,0,0]=1 155 B8R1.1 Cc1cnc(s1)C#N 1P0002O5 [0,0,0,0,0,0|2,1,1]=4 156 B8R1.1 Cc1cnc(s1)C=O 1P00196D [0,0,0,0,0,0|1,1,2]=4 157 B8R1.1 Cc1cnc(s1)CCl 1P00IHHK [0,0,0,0,0,0|2,1,0]=3 158 B8R1.1 Cc1cnc(s1)CO 1P00290Z [0,0,0,0,0,0|1,1,0]=2 159 B8R1.1 Cc1coc(n1)C#C 1P028Y57 [0,0,0,0,0,0|3,0,1]=4 160 B8R1.1 Cc1coc(n1)C=O 1P001QVU [0,0,0,0,0,0|2,0,2]=4 161 B8R1.1 Cc1coc(n1)CCl 1P02848D [0,0,0,0,0,0|3,0,0]=3 162 B8R1.1 Cc1coc(n1)CO 1P021U5B [0,0,0,0,0,0|2,0,0]=2 163 B8R1.1 Cc1csc(n1)C#C 1P00CGB0 [0,0,0,0,0,0|3,0,1]=4 164 B8R1.1 Cc1csc(n1)C#N 1P0002P4 [0,0,0,0,0,0|3,0,1]=4 165 B8R1.1 Cc1csc(n1)C=O 1P0013UG [0,0,0,0,0,0|2,0,2]=4 166 B8R1.1 Cc1csc(n1)CCl 1P006UMP [0,0,0,0,0,0|3,0,0]=3 167 B8R1.1 Cc1csc(n1)CCl 1P00J206 [0,0,0,0,0,0|3,0,0]=3 168 B8R1.1 Cc1csc(n1)CN 1P000PRK [0,0,0,0,0,0|3,0,0]=3 169 B8R1.1 Cc1csc(n1)CN 1P00DBWW [0,0,0,0,0,0|3,0,0]=3 170 B8R1.1 Cc1csc(n1)CO 1P0013UH [0,0,0,0,0,0|2,0,0]=2 171 B8R1.1 Cc1csc(n1)CO 1P00J22S [0,0,0,0,0,0|2,0,0]=2 172 B8R1.1 Cc1csc(n1)NN 1P001J5G [0,0,0,0,0,0|4,0,0]=4 173 B8R1.1 Cc1nc([nH]n1)CCl 1P00J2XT [0,0,0,0,0,0|4,0,0]=4 174 B8R1.1 Cc1nc([nH]n1)CN 1P009VYP [0,0,0,0,0,0|4,0,0]=4 175 B8R1.1 Cc1nc([nH]n1)CO 1P00J2ZB [0,0,0,0,0,0|3,0,0]=3 176 B8R1.1 Cc1nc([nH]n1)CO 1P00J3JE [0,0,0,0,0,0|3,0,0]=3 177 B8R1.1 Cc1nc([nH]n1)CS 1P027ZKO [0,0,0,0,0,0|3,1,0]=4 178 B8R1.1 Cc1nc(c[nH]1)C#C 1P0287YM [0,0,0,0,0,0|3,0,1]=4 179 B8R1.1 Cc1nc(c[nH]1)CBr 1P02900O [0,0,0,0,0,0|3,0,0]=3 180 B8R1.1 Cc1nc(c[nH]1)CCl 1P00ELGS [0,0,0,0,0,0|3,0,0]=3 181 B8R1.1 Cc1nc(c[nH]1)CO 1P00DD57 [0,0,0,0,0,0|2,0,0]=2 182 B8R1.1 Cc1nc(co1)C#C 1P02923N [0,0,0,0,0,0|3,0,1]=4 183 B8R1.1 Cc1nc(co1)C#N 1P0041LQ [0,0,0,0,0,0|3,0,1]=4 184 B8R1.1 Cc1nc(co1)C=O 1P0009XK [0,0,0,0,0,0|2,0,2]=4 185 B8R1.1 Cc1nc(co1)CCl 1P009CKU [0,0,0,0,0,0|3,0,0]=3 186 B8R1.1 Cc1nc(co1)CN 1P008SCE [0,0,0,0,0,0|3,0,0]=3 187 B8R1.1 Cc1nc(co1)CN 1P021MU1 [0,0,0,0,0,0|3,0,0]=3 188 B8R1.1 Cc1nc(co1)CO 1P007ZR0 [0,0,0,0,0,0|2,0,0]=2 189 B8R1.1 Cc1nc(cs1)C#C 1P008UQD [0,0,0,0,0,0|3,0,1]=4 190 B8R1.1 Cc1nc(cs1)C#N 1P006Z27 [0,0,0,0,0,0|3,0,1]=4 191 B8R1.1 Cc1nc(cs1)C=C 1P01A3RX [0,0,0,0,0,0|3,0,1]=4 192 B8R1.1 Cc1nc(cs1)C=C 1P01ANVE [0,0,0,0,0,0|3,0,1]=4 193 B8R1.1 Cc1nc(cs1)C=O 1P002KQ5 [0,0,0,0,0,0|2,0,2]=4 194 B8R1.1 Cc1nc(cs1)CBr 1P00FFU6 [0,0,0,0,0,0|3,0,0]=3 195 B8R1.1 Cc1nc(cs1)CCl 1P0053U4 [0,0,0,0,0,0|3,0,0]=3 196 B8R1.1 Cc1nc(cs1)CCl 1P00BZ6A [0,0,0,0,0,0|3,0,0]=3 197 B8R1.1 Cc1nc(cs1)CN 1P007GCS [0,0,0,0,0,0|3,0,0]=3 198 B8R1.1 Cc1nc(cs1)CN 1P00932L [0,0,0,0,0,0|3,0,0]=3 199 B8R1.1 Cc1nc(cs1)CO 1P008QA9 [0,0,0,0,0,0|2,0,0]=2 200 B8R1.1 Cc1nc(on1)CBr 1P00H4CB [0,0,0,0,0,0|4,0,0]=4 201 B8R1.1 Cc1nc(on1)CCl 1P000ISU [0,0,0,0,0,0|4,0,0]=4 202 B8R1.1 Cc1nc(on1)CN 1P00BHFT [0,0,0,0,0,0|4,0,0]=4 203 B8R1.1 Cc1nc(on1)CO 1P0038S0 [0,0,0,0,0,0|3,0,0]=3 204 B8R1.1 Cc1nc(on1)CS 1P0291EM [0,0,0,0,0,0|3,1,0]=4 205 B8R1.1 Cc1nc(sn1)CBr 1P0280HG [0,0,0,0,0,0|4,0,0]=4 206 B8R1.1 Cc1nc(sn1)CCl 1P01EM97 [0,0,0,0,0,0|4,0,0]=4 207 B8R1.1 Cc1nc(sn1)CN 1P028HP8 [0,0,0,0,0,0|4,0,0]=4 208 B8R1.1 Cc1nc(sn1)CO 1P01BHUW [0,0,0,0,0,0|3,0,0]=3 209 B8R1.1 Cc1ncc([nH]1)C=O 1P007GWA [0,0,0,0,0,0|2,0,2]=4 210 B8R1.1 Cc1ncc(o1)C#C 1P028TPZ [0,0,0,0,0,0|2,0,1]=3 211 B8R1.1 Cc1ncc(o1)C#N 1P00035Q [0,0,0,0,0,0|2,0,1]=3 212 B8R1.1 Cc1ncc(o1)CCl 1P000PRG [0,0,0,0,0,0|2,0,0]=2 213 B8R1.1 Cc1ncc(o1)CCl 1P028AOH [0,0,0,0,0,0|2,0,0]=2 214 B8R1.1 Cc1ncc(o1)CN 1P01C312 [0,0,0,0,0,0|2,0,0]=2 215 B8R1.1 Cc1ncc(o1)CO 1P0092QJ [0,0,0,0,0,0|1,0,0]=1 216 B8R1.1 Cc1ncc(o1)CS 1P01C9S1 [0,0,0,0,0,0|1,1,0]=2 217 B8R1.1 Cc1ncc(s1)C#N 1P00IBZG [0,0,0,0,0,0|2,1,1]=4 218 B8R1.1 Cc1ncc(s1)C=O 1P0001Z0 [0,0,0,0,0,0|1,1,2]=4 219 B8R1.1 Cc1ncc(s1)CBr 1P00IDSU [0,0,0,0,0,0|2,1,0]=3 220 B8R1.1 Cc1ncc(s1)CBr 1P02939Y [0,0,0,0,0,0|2,1,0]=3 221 B8R1.1 Cc1ncc(s1)CCl 1P00F69F [0,0,0,0,0,0|2,1,0]=3 222 B8R1.1 Cc1ncc(s1)CCl 1P01BIY6 [0,0,0,0,0,0|2,1,0]=3 223 B8R1.1 Cc1ncc(s1)CN 1P00ED8F [0,0,0,0,0,0|2,1,0]=3 224 B8R1.1 Cc1ncc(s1)CN 1P00HBF4 [0,0,0,0,0,0|2,1,0]=3 225 B8R1.1 Cc1ncc(s1)CO 1P00DJHY [0,0,0,0,0,0|1,1,0]=2 226 B8R1.1 Cc1nnc([nH]1)CBr 1P028479 [0,0,0,0,0,0|4,0,0]=4 227 B8R1.1 Cc1nnc(o1)C=O 1P001V27 [0,0,0,0,0,0|2,0,2]=4 228 B8R1.1 Cc1nnc(o1)CBr 1P01BH7F [0,0,0,0,0,0|3,0,0]=3 229 B8R1.1 Cc1nnc(o1)CCl 1P0033BY [0,0,0,0,0,0|3,0,0]=3 230 B8R1.1 Cc1nnc(o1)CN 1P000EDS [0,0,0,0,0,0|3,0,0]=3 231 B8R1.1 Cc1nnc(o1)CO 1P00GU53 [0,0,0,0,0,0|2,0,0]=2 232 B8R1.1 Cc1nnc(o1)CS 1P027RAU [0,0,0,0,0,0|2,1,0]=3 233 B8R1.1 Cc1nnc(s1)CBr 1P01B7R0 [0,0,0,0,0,0|3,1,0]=4 234 B8R1.1 Cc1nnc(s1)CCl 1P008QZD [0,0,0,0,0,0|3,1,0]=4 235 B8R1.1 Cc1nnc(s1)CN 1P005BMI [0,0,0,0,0,0|3,1,0]=4 236 B8R1.1 Cc1nnc(s1)CO 1P00IEPT [0,0,0,0,0,0|2,1,0]=3 237 B8R1.1 ClCc1cc(cs1)Br 1P00ACTT [0,0,0,0,0,0|4,0,0]=4 238 B8R1.1 ClCc1ccc(s1)Br 1P019LJY [0,0,0,0,0,0|2,1,0]=3 239 B8R1.1 ClCc1ccc(s1)Cl 1P003HF2 [0,0,0,0,0,0|2,1,0]=3 240 B8R1.1 ClCc1cnc(s1)Cl 1P0033OW [0,0,0,0,0,0|3,1,0]=4 241 B8R1.1 ClCc1cnn(c1)C 1P00ASFY [0,0,0,0,0,0|4,0,0]=4 242 B8R1.1 ClCc1csc(c1)Br 1P019VXY [0,0,0,0,0,0|4,0,0]=4 243 B8R1.1 ClCc1csc(c1)Cl 1P005JNT [0,0,0,0,0,0|4,0,0]=4 244 B8R1.1 ClCc1csc(n1)Cl 1P00D8GW [0,0,0,0,0,0|4,0,0]=4 245 B8R1.1 ClCc1nc(c[nH]1)Br 1P027Z1P [0,0,0,0,0,0|4,0,0]=4 246 B8R1.1 ClCc1ncc(s1)Br 1P01BFYC [0,0,0,0,0,0|3,1,0]=4 247 B8R1.1 ClCc1ncc(s1)Cl 1P01A6VP [0,0,0,0,0,0|3,1,0]=4 248 B8R1.1 ClCc1ncn(n1)C 1P00805C [0,0,0,0,0,0|4,0,0]=4 249 B8R1.1 ClCc1noc(n1)C 1P000ISV [0,0,0,0,0,0|4,0,0]=4 250 B8R1.1 ClCc1nsc(=O)o1 1P027VYR [0,0,0,0,0,0|4,0,0]=4 251 B8R1.1 ClCc1scc(c1)Cl 1P023S65 [0,0,0,0,0,0|4,0,0]=4 252 B8R1.1 ClCc1scc(n1)Cl 1P028XL3 [0,0,0,0,0,0|4,0,0]=4 253 B8R1.1 Clc1cc(sc1)CBr 1P01EMCO [0,0,0,0,0,0|4,0,0]=4 254 B8R1.1 Clc1ccc([nH]1)C=O 1P0021LN [0,0,0,0,0,0|2,0,2]=4 255 B8R1.1 Clc1ccc(o1)C#N 1P01A4E1 [0,0,0,0,0,0|2,0,1]=3 256 B8R1.1 Clc1ccc(o1)C=O 1P003N3F [0,0,0,0,0,0|1,0,2]=3 257 B8R1.1 Clc1ccc(s1)C#C 1P001CB3 [0,0,0,0,0,0|2,1,1]=4 258 B8R1.1 Clc1ccc(s1)C#N 1P00DBVU [0,0,0,0,0,0|2,1,1]=4 259 B8R1.1 Clc1ccc(s1)C=O 1P0034Q0 [0,0,0,0,0,0|1,1,2]=4 260 B8R1.1 Clc1ccc(s1)CBr 1P019RZ1 [0,0,0,0,0,0|2,1,0]=3 261 B8R1.1 Clc1cnc(s1)CBr 1P027XOR [0,0,0,0,0,0|3,1,0]=4 262 B8R1.1 Clc1nc(co1)CBr 1P00FGUZ [0,0,0,0,0,0|4,0,0]=4 263 B8R1.1 Clc1ncc(s1)CBr 1P002LBR [0,0,0,0,0,0|3,1,0]=4 264 B8R1.1 Cn1cc(nc1)CBr 1P01DWLT [0,0,0,0,0,0|4,0,0]=4 265 B8R1.1 Cn1cc(nc1)CCl 1P003AIV [0,0,0,0,0,0|4,0,0]=4 266 B8R1.1 Cn1cc(nc1)CN 1P001BKI [0,0,0,0,0,0|4,0,0]=4 267 B8R1.1 Cn1cc(nc1)CN 1P006WSU [0,0,0,0,0,0|4,0,0]=4 268 B8R1.1 Cn1cc(nc1)CO 1P007CRN [0,0,0,0,0,0|3,0,0]=3 269 B8R1.1 Cn1cc(nn1)CO 1P01A9ZD [0,0,0,0,0,0|4,0,0]=4 270 B8R1.1 Cn1cc(nn1)CO 1P01BC8N [0,0,0,0,0,0|4,0,0]=4 271 B8R1.1 Cn1ccc(n1)C#C 1P01BG4F [0,0,0,0,0,0|3,0,1]=4 272 B8R1.1 Cn1ccc(n1)C#N 1P008NIJ [0,0,0,0,0,0|3,0,1]=4 273 B8R1.1 Cn1ccc(n1)C=O 1P0039B0 [0,0,0,0,0,0|2,0,2]=4 274 B8R1.1 Cn1ccc(n1)CBr 1P007YYV [0,0,0,0,0,0|3,0,0]=3 275 B8R1.1 Cn1ccc(n1)CCl 1P004VXY [0,0,0,0,0,0|3,0,0]=3 276 B8R1.1 Cn1ccc(n1)CCl 1P00GYEG [0,0,0,0,0,0|3,0,0]=3 277 B8R1.1 Cn1ccc(n1)CN 1P0037JG [0,0,0,0,0,0|3,0,0]=3 278 B8R1.1 Cn1ccc(n1)CN 1P008Y2B [0,0,0,0,0,0|3,0,0]=3 279 B8R1.1 Cn1ccc(n1)CO 1P0036US [0,0,0,0,0,0|2,0,0]=2 280 B8R1.1 Cn1ccc(n1)CS 1P0289RD [0,0,0,0,0,0|2,1,0]=3 281 B8R1.1 Cn1ccc(n1)NN 1P02906E [0,0,0,0,0,0|4,0,0]=4 282 B8R1.1 Cn1nc(cn1)CBr 1P00H66O [0,0,0,0,0,0|4,0,0]=4 283 B8R1.1 Cn1nc(cn1)CCl 1P01ALI6 [0,0,0,0,0,0|4,0,0]=4 284 B8R1.1 Cn1nc(cn1)CN 1P01BBNH [0,0,0,0,0,0|4,0,0]=4 285 B8R1.1 Cn1nc(cn1)CO 1P01BAN8 [0,0,0,0,0,0|3,0,0]=3 286 B8R1.1 Cn1nc(cn1)CS 1P0292L5 [0,0,0,0,0,0|3,1,0]=4 287 B8R1.1 Fc1ccc(o1)C#N 1P028WO5 [0,0,0,0,0,0|2,0,1]=3 288 B8R1.1 Fc1ccc(s1)C#N 1P00CJ8O [0,0,0,0,0,0|2,1,1]=4 289 B8R1.1 Fc1ccc(s1)C=O 1P002ZHS [0,0,0,0,0,0|1,1,2]=4 290 B8R1.1 Ic1ccc(o1)C=O 1P003N9Z [0,0,0,0,0,0|1,0,2]=3 291 B8R1.1 Ic1ccc(s1)C#N 1P002E5O [0,0,0,0,0,0|2,1,1]=4 292 B8R1.1 N#Cc1ccn(c1)C 1P00FSUD [0,0,0,0,0,0|3,0,1]=4 293 B8R1.1 NCc1[nH]cc(n1)C 1P00G8P1 [0,0,0,0,0,0|3,0,0]=3 294 B8R1.1 NCc1[nH]nc(c1)C 1P00HBXH [0,0,0,0,0,0|4,0,0]=4 295 B8R1.1 NCc1c[nH]c(=O)[nH]1 1P01C51U [0,0,0,0,0,0|4,0,0]=4 296 B8R1.1 NCc1cc(c[nH]1)Br 1P019TPI [0,0,0,0,0,0|4,0,0]=4 297 B8R1.1 NCc1cc(co1)Br 1P01KKNK [0,0,0,0,0,0|4,0,0]=4 298 B8R1.1 NCc1cc(co1)Br 1P028RHQ [0,0,0,0,0,0|4,0,0]=4 299 B8R1.1 NCc1cc(cs1)Br 1P000EAH [0,0,0,0,0,0|4,0,0]=4 300 B8R1.1 NCc1cc(cs1)Br 1P00DEUQ [0,0,0,0,0,0|4,0,0]=4 301 B8R1.1 NCc1cc(cs1)Cl 1P00C1R1 [0,0,0,0,0,0|4,0,0]=4 302 B8R1.1 NCc1cc(cs1)F 1P028FQL [0,0,0,0,0,0|4,0,0]=4 303 B8R1.1 NCc1cc(cs1)I 1P028BGB [0,0,0,0,0,0|4,0,0]=4 304 B8R1.1 NCc1ccc(o1)Br 1P002T5R [0,0,0,0,0,0|2,0,0]=2 305 B8R1.1 NCc1ccc(o1)Br 1P01AGAI [0,0,0,0,0,0|2,0,0]=2 306 B8R1.1 NCc1ccc(o1)Cl 1P00BSTO [0,0,0,0,0,0|2,0,0]=2 307 B8R1.1 NCc1ccc(s1)Br 1P0001JY [0,0,0,0,0,0|2,1,0]=3 308 B8R1.1 NCc1ccc(s1)Br 1P00ECLH [0,0,0,0,0,0|2,1,0]=3 309 B8R1.1 NCc1ccc(s1)Cl 1P007QUC [0,0,0,0,0,0|2,1,0]=3 310 B8R1.1 NCc1ccc(s1)Cl 1P00DFJL [0,0,0,0,0,0|2,1,0]=3 311 B8R1.1 NCc1ccc(s1)F 1P00CGEU [0,0,0,0,0,0|2,1,0]=3 312 B8R1.1 NCc1ccc(s1)I 1P028DJT [0,0,0,0,0,0|2,1,0]=3 313 B8R1.1 NCc1ccn(c1)C 1P002KA3 [0,0,0,0,0,0|3,0,0]=3 314 B8R1.1 NCc1cnc(s1)Br 1P0001K3 [0,0,0,0,0,0|3,1,0]=4 315 B8R1.1 NCc1cnc(s1)Br 1P00105E [0,0,0,0,0,0|3,1,0]=4 316 B8R1.1 NCc1cnc(s1)Br 1P01B9CA [0,0,0,0,0,0|3,1,0]=4 317 B8R1.1 NCc1cnc(s1)Cl 1P0036LR [0,0,0,0,0,0|3,1,0]=4 318 B8R1.1 NCc1cnc(s1)Cl 1P00AKVT [0,0,0,0,0,0|3,1,0]=4 319 B8R1.1 NCc1cnc(s1)N 1P01EKLE [0,0,0,0,0,0|3,1,0]=4 320 B8R1.1 NCc1cnn(c1)C 1P00397N [0,0,0,0,0,0|4,0,0]=4 321 B8R1.1 NCc1cnn(c1)C 1P007UMZ [0,0,0,0,0,0|4,0,0]=4 322 B8R1.1 NCc1cnn(c1)C 1P00915K [0,0,0,0,0,0|4,0,0]=4 323 B8R1.1 NCc1coc(c1)C 1P01E7IU [0,0,0,0,0,0|3,0,0]=3 324 B8R1.1 NCc1coc(n1)Cl 1P01ANLV [0,0,0,0,0,0|4,0,0]=4 325 B8R1.1 NCc1csc(=O)[nH]1 1P01A0VR [0,0,0,0,0,0|4,0,0]=4 326 B8R1.1 NCc1csc(c1)Br 1P0091TL [0,0,0,0,0,0|4,0,0]=4 327 B8R1.1 NCc1csc(c1)Br 1P01A838 [0,0,0,0,0,0|4,0,0]=4 328 B8R1.1 NCc1csc(c1)C 1P01APJ1 [0,0,0,0,0,0|3,0,0]=3 329 B8R1.1 NCc1csc(c1)Cl 1P0099TB [0,0,0,0,0,0|4,0,0]=4 330 B8R1.1 NCc1csc(n1)Br 1P027TAK [0,0,0,0,0,0|4,0,0]=4 331 B8R1.1 NCc1csc(n1)C 1P00932M [0,0,0,0,0,0|3,0,0]=3 332 B8R1.1 NCc1csc(n1)Cl 1P01K1JR [0,0,0,0,0,0|4,0,0]=4 333 B8R1.1 NCc1csc(n1)N 1P00J1OY [0,0,0,0,0,0|4,0,0]=4 334 B8R1.1 NCc1n[nH]c(=O)o1 1P01R7JR [0,0,0,0,0,0|4,0,0]=4 335 B8R1.1 NCc1n[nH]c(=S)o1 1P01AD27 [0,0,0,0,0,0|4,0,0]=4 336 B8R1.1 NCc1n[nH]c(n1)C 1P009463 [0,0,0,0,0,0|4,0,0]=4 337 B8R1.1 NCc1nc(cs1)Br 1P00FCIU [0,0,0,0,0,0|4,0,0]=4 338 B8R1.1 NCc1nc(cs1)Br 1P00HG5X [0,0,0,0,0,0|4,0,0]=4 339 B8R1.1 NCc1nc(cs1)Cl 1P023ODU [0,0,0,0,0,0|4,0,0]=4 340 B8R1.1 NCc1ncc(s1)Br 1P001GXO [0,0,0,0,0,0|3,1,0]=4 341 B8R1.1 NCc1ncc(s1)C 1P003FFM [0,0,0,0,0,0|2,1,0]=3 342 B8R1.1 NCc1ncc(s1)Cl 1P00932P [0,0,0,0,0,0|3,1,0]=4 343 B8R1.1 NCc1ncc(s1)Cl 1P00932Q [0,0,0,0,0,0|3,1,0]=4 344 B8R1.1 NCc1ncc(s1)I 1P02806H [0,0,0,0,0,0|3,1,0]=4 345 B8R1.1 NCc1ncn(c1)C 1P002311 [0,0,0,0,0,0|4,0,0]=4 346 B8R1.1 NCc1ncn(n1)C 1P00IL7B [0,0,0,0,0,0|4,0,0]=4 347 B8R1.1 NCc1nnc(o1)N 1P01AG05 [0,0,0,0,0,0|4,0,0]=4 348 B8R1.1 NCc1noc(n1)C 1P009122 [0,0,0,0,0,0|4,0,0]=4 349 B8R1.1 NCc1occ(n1)C 1P027X5U [0,0,0,0,0,0|3,0,0]=3 350 B8R1.1 NCc1scc(n1)Br 1P0282HW [0,0,0,0,0,0|4,0,0]=4 351 B8R1.1 NCc1scc(n1)C 1P00J3IM [0,0,0,0,0,0|3,0,0]=3 352 B8R1.1 NNc1ccn(n1)C 1P01BDG1 [0,0,0,0,0,0|4,0,0]=4 353 B8R1.1 NNc1ccn(n1)C 1P01BDJ7 [0,0,0,0,0,0|4,0,0]=4 354 B8R1.1 NNc1cnc(s1)C 1P028I3Q [0,0,0,0,0,0|3,1,0]=4 355 B8R1.1 N[C@@H]1C[C@@H](C=C1)CO 1P001YVW [0,0,0,0,0,0|2,0,2]=4 356 B8R1.1 Nc1cc(n[nH]1)CO 1P0001CO [0,0,0,0,0,0|4,0,0]=4 357 B8R1.1 Nc1ccc(s1)C#N 1P00DIFY [0,0,0,0,0,0|2,1,1]=4 358 B8R1.1 Nc1nc(co1)CO 1P002FN9 [0,0,0,0,0,0|3,0,0]=3 359 B8R1.1 Nc1nc(cs1)CCl 1P00EA56 [0,0,0,0,0,0|4,0,0]=4 360 B8R1.1 Nc1nc(cs1)CCl 1P00FBF3 [0,0,0,0,0,0|4,0,0]=4 361 B8R1.1 Nc1nc(cs1)CF 1P01BKUC [0,0,0,0,0,0|4,0,0]=4 362 B8R1.1 Nc1nc(cs1)CO 1P00DEM1 [0,0,0,0,0,0|3,0,0]=3 363 B8R1.1 Nc1nc(cs1)CO 1P01BBKH [0,0,0,0,0,0|3,0,0]=3 364 B8R1.1 Nc1ncc(o1)C#N 1P0284TM [0,0,0,0,0,0|3,0,1]=4 365 B8R1.1 Nc1ncc(o1)C=O 1P028XIS [0,0,0,0,0,0|2,0,2]=4 366 B8R1.1 Nc1ncc(s1)CO 1P000W4R [0,0,0,0,0,0|2,1,0]=3 367 B8R1.1 Nc1nnc(o1)CCl 1P01DVN0 [0,0,0,0,0,0|4,0,0]=4 368 B8R1.1 Nc1nnc(o1)CO 1P00VVOM [0,0,0,0,0,0|3,0,0]=3 369 B8R1.1 Nc1nnc(s1)CO 1P01A25J [0,0,0,0,0,0|3,1,0]=4 370 B8R1.1 O=Cc1ccn(c1)C 1P00CMF0 [0,0,0,0,0,0|2,0,2]=4 371 B8R1.1 O=Cc1csc(c1)C 1P002YT8 [0,0,0,0,0,0|2,0,2]=4 372 B8R1.1 OCC1=CC(=O)OC1 1P00G7J9 [0,0,0,0,0,0|3,0,1]=4 373 B8R1.1 OCC1CCC(=O)O1 1P0036A1 [0,0,0,0,0,0|1,0,3]=4 374 B8R1.1 OCC1CNC(=O)O1 1P003MO9 [0,0,0,0,0,0|2,0,2]=4 375 B8R1.1 OCC1COC(=O)O1 1P0035FK [0,0,0,0,0,0|2,0,2]=4 376 B8R1.1 OCC1OC(=O)C=C1 1P007GAQ [0,0,0,0,0,0|1,0,1]=2 377 B8R1.1 OC[C@@H]1CCC(=O)O1 1P0039AG [0,0,0,0,0,0|1,0,3]=4 378 B8R1.1 OC[C@@H]1CNC(=O)O1 1P00IKGE [0,0,0,0,0,0|2,0,2]=4 379 B8R1.1 OC[C@H]1CCC(=O)O1 1P003CR4 [0,0,0,0,0,0|1,0,3]=4 380 B8R1.1 OC[C@H]1CNC(=O)O1 1P00IKGD [0,0,0,0,0,0|2,0,2]=4 381 B8R1.1 OCc1c[nH]c(n1)Cl 1P028MZ5 [0,0,0,0,0,0|3,0,0]=3 382 B8R1.1 OCc1cc([nH]n1)Br 1P00ILHX [0,0,0,0,0,0|4,0,0]=4 383 B8R1.1 OCc1cc([nH]n1)Br 1P01K847 [0,0,0,0,0,0|4,0,0]=4 384 B8R1.1 OCc1cc([nH]n1)Cl 1P021VQZ [0,0,0,0,0,0|4,0,0]=4 385 B8R1.1 OCc1cc(co1)Cl 1P01EMTV [0,0,0,0,0,0|3,0,0]=3 386 B8R1.1 OCc1cc(cs1)Br 1P003CBD [0,0,0,0,0,0|3,0,0]=3 387 B8R1.1 OCc1cc(cs1)Cl 1P002NC1 [0,0,0,0,0,0|3,0,0]=3 388 B8R1.1 OCc1cc(no1)Br 1P00BD12 [0,0,0,0,0,0|4,0,0]=4 389 B8R1.1 OCc1cc(no1)Cl 1P007FWF [0,0,0,0,0,0|4,0,0]=4 390 B8R1.1 OCc1ccc(o1)Br 1P00BGK4 [0,0,0,0,0,0|1,0,0]=1 391 B8R1.1 OCc1ccc(s1)Br 1P0052HU [0,0,0,0,0,0|1,1,0]=2 392 B8R1.1 OCc1ccc(s1)Cl 1P00FB5R [0,0,0,0,0,0|1,1,0]=2 393 B8R1.1 OCc1ccc(s1)F 1P008JHJ [0,0,0,0,0,0|1,1,0]=2 394 B8R1.1 OCc1ccn(c1)C 1P00FHGX [0,0,0,0,0,0|2,0,0]=2 395 B8R1.1 OCc1cnc([nH]1)Br 1P028M54 [0,0,0,0,0,0|3,0,0]=3 396 B8R1.1 OCc1cnc(o1)Br 1P0095BO [0,0,0,0,0,0|2,0,0]=2 397 B8R1.1 OCc1cnc(o1)N 1P01FJXQ [0,0,0,0,0,0|2,0,0]=2 398 B8R1.1 OCc1cnc(s1)Br 1P006HSF [0,0,0,0,0,0|2,1,0]=3 399 B8R1.1 OCc1cnc(s1)Cl 1P001KY7 [0,0,0,0,0,0|2,1,0]=3 400 B8R1.1 OCc1cnn(c1)C 1P008UP9 [0,0,0,0,0,0|3,0,0]=3 401 B8R1.1 OCc1coc(c1)C 1P01ACSN [0,0,0,0,0,0|2,0,0]=2 402 B8R1.1 OCc1coc(n1)Br 1P008V6W [0,0,0,0,0,0|3,0,0]=3 403 B8R1.1 OCc1csc(c1)Br 1P00ICX6 [0,0,0,0,0,0|3,0,0]=3 404 B8R1.1 OCc1csc(c1)C 1P00CG87 [0,0,0,0,0,0|2,0,0]=2 405 B8R1.1 OCc1csc(c1)Cl 1P005B17 [0,0,0,0,0,0|3,0,0]=3 406 B8R1.1 OCc1csc(n1)Br 1P00DEFQ [0,0,0,0,0,0|3,0,0]=3 407 B8R1.1 OCc1csc(n1)Br 1P00J2FF [0,0,0,0,0,0|3,0,0]=3 408 B8R1.1 OCc1csc(n1)Cl 1P00DJHX [0,0,0,0,0,0|3,0,0]=3 409 B8R1.1 OCc1csc(n1)F 1P00B931 [0,0,0,0,0,0|3,0,0]=3 410 B8R1.1 OCc1n[nH]c(c1)O 1P00FC7F [0,0,0,0,0,0|4,0,0]=4 411 B8R1.1 OCc1n[nH]c(n1)N 1P00C2H7 [0,0,0,0,0,0|4,0,0]=4 412 B8R1.1 OCc1nc(=S)[nH][nH]1 1P0070AB [0,0,0,0,0,0|4,0,0]=4 413 B8R1.1 OCc1nc(c[nH]1)Br 1P01BCBB [0,0,0,0,0,0|3,0,0]=3 414 B8R1.1 OCc1nc(cs1)Br 1P002A0S [0,0,0,0,0,0|3,0,0]=3 415 B8R1.1 OCc1nc(n[nH]1)Br 1P00C2NX [0,0,0,0,0,0|4,0,0]=4 416 B8R1.1 OCc1nc(n[nH]1)Br 1P00J3HI [0,0,0,0,0,0|4,0,0]=4 417 B8R1.1 OCc1nc(no1)Br 1P028FDR [0,0,0,0,0,0|4,0,0]=4 418 B8R1.1 OCc1ncc(s1)Br 1P00H1FC [0,0,0,0,0,0|2,1,0]=3 419 B8R1.1 OCc1ncc(s1)Cl 1P00I9IK [0,0,0,0,0,0|2,1,0]=3 420 B8R1.1 OCc1ncn(n1)C 1P0039EJ [0,0,0,0,0,0|3,0,0]=3 421 B8R1.1 OCc1nnc(s1)Br 1P00AB0M [0,0,0,0,0,0|3,1,0]=4 422 B8R1.1 OCc1nnc(s1)Cl 1P00GV5P [0,0,0,0,0,0|3,1,0]=4 423 B8R1.1 OCc1nnn(n1)C 1P00DBWD [0,0,0,0,0,0|4,0,0]=4 424 B8R1.1 OCc1noc(n1)C 1P002RPW [0,0,0,0,0,0|3,0,0]=3 425 B8R1.1 OCc1nsc(n1)Br 1P0284ZT [0,0,0,0,0,0|4,0,0]=4 426 B8R1.1 OCn1cc(cn1)Br 1P00JFNT [0,0,0,0,0,0|4,0,0]=4 427 B8R1.1 OCn1cc(cn1)Cl 1P005CYK [0,0,0,0,0,0|4,0,0]=4 428 B8R1.1 SCc1cc(cs1)Br 1P0280AT [0,0,0,0,0,0|3,1,0]=4 429 B8R1.1 SCc1ccc(o1)Cl 1P01EJ9A [0,0,0,0,0,0|1,1,0]=2 430 B8R1.1 SCc1ccc(s1)Br 1P0280GR [0,0,0,0,0,0|1,2,0]=3 431 B8R1.1 SCc1ccc(s1)Cl 1P01IYEN [0,0,0,0,0,0|1,2,0]=3 432 B8R1.1 SCc1cnc(s1)Cl 1P01FFB6 [0,0,0,0,0,0|2,2,0]=4 433 B8R1.1 SCc1cnn(c1)C 1P01C6ZV [0,0,0,0,0,0|3,1,0]=4 434 B8R1.1 SCc1csc(c1)C 1P0291R6 [0,0,0,0,0,0|2,1,0]=3 435 B8R1.1 SCc1noc(n1)C 1P02804A [0,0,0,0,0,0|3,1,0]=4 436 B7R1.1 BrCc1c[nH]cn1 1P00DKVA [1,0,0,0,0,0|3,0,0]=4 437 B7R1.1 BrCc1cc[nH]n1 1P01BBQF [1,0,0,0,0,0|3,0,0]=4 438 B7R1.1 BrCc1cccs1 1P003A54 [1,0,0,0,0,0|1,1,0]=3 439 B7R1.1 BrCc1ccno1 1P005IU1 [1,0,0,0,0,0|2,0,0]=3 440 B7R1.1 BrCc1ccns1 1P00BNV7 [1,0,0,0,0,0|2,1,0]=4 441 B7R1.1 BrCc1ccon1 1P005JQO [1,0,0,0,0,0|3,0,0]=4 442 B7R1.1 BrCc1cnco1 1P000X8S [1,0,0,0,0,0|2,0,0]=3 443 B7R1.1 BrCc1cncs1 1P00IJOS [1,0,0,0,0,0|2,1,0]=4 444 B7R1.1 BrCc1cocc1 1P00ED8I [1,0,0,0,0,0|3,0,0]=4 445 B7R1.1 BrCc1cocn1 1P008U5Y [1,0,0,0,0,0|3,0,0]=4 446 B7R1.1 BrCc1cscn1 1P0036OC [1,0,0,0,0,0|3,0,0]=4 447 B7R1.1 BrCc1ncc[nH]1 1P002YQ4 [1,0,0,0,0,0|3,0,0]=4 448 B7R1.1 BrCc1ncco1 1P01XD2T [1,0,0,0,0,0|2,0,0]=3 449 B7R1.1 BrCc1nccs1 1P000T52 [1,0,0,0,0,0|2,1,0]=4 450 B7R1.1 BrCc1ncno1 1P01C6TW [1,0,0,0,0,0|3,0,0]=4 451 B7R1.1 BrCn1cccn1 1P01B9DJ [1,0,0,0,0,0|3,0,0]=4 452 B7R1.1 C#Cc1cccs1 1P0038AO [1,0,0,0,0,0|1,1,1]=4 453 B7R1.1 C#Cc1cnco1 1P01DRZ2 [1,0,0,0,0,0|2,0,1]=4 454 B7R1.1 C#Cc1ncco1 1P028X1G [1,0,0,0,0,0|2,0,1]=4 455 B7R1.1 C=Cc1ccco1 1P001LLL [1,0,0,0,0,0|1,0,1]=3 456 B7R1.1 C=Cc1cccs1 1P002FXU [1,0,0,0,0,0|1,1,1]=4 457 B7R1.1 CC[C-]1C=CC=C1 1P000XD7 [1,0,0,0,0,0|2,0,1]=4 458 B7R1.1 CC[C-]1C=CC=C1 1P000XD9 [1,0,0,0,0,0|2,0,1]=4 459 B7R1.1 CCc1c[nH]cc1 1P00APDI [1,0,0,0,0,0|3,0,0]=4 460 B7R1.1 CCc1cc[nH]n1 1P0018FG [1,0,0,0,0,0|3,0,0]=4 461 B7R1.1 CCc1ccc[nH]1 1P0033RK [1,0,0,0,0,0|2,0,0]=3 462 B7R1.1 CCc1ccco1 1P003HOB [1,0,0,0,0,0|1,0,0]=2 463 B7R1.1 CCc1cccs1 1P003HOV [1,0,0,0,0,0|1,1,0]=3 464 B7R1.1 CCc1ccon1 1P028EIU [1,0,0,0,0,0|3,0,0]=4 465 B7R1.1 CCc1cnc[nH]1 1P001J1R [1,0,0,0,0,0|3,0,0]=4 466 B7R1.1 CCc1cnco1 1P007IH6 [1,0,0,0,0,0|2,0,0]=3 467 B7R1.1 CCc1cocn1 1P01B79E [1,0,0,0,0,0|3,0,0]=4 468 B7R1.1 CCc1cscc1 1P0027I2 [1,0,0,0,0,0|3,0,0]=4 469 B7R1.1 CCc1cscn1 1P00250B [1,0,0,0,0,0|3,0,0]=4 470 B7R1.1 CCc1ncc[nH]1 1P003BOK [1,0,0,0,0,0|3,0,0]=4 471 B7R1.1 CCc1nccs1 1P001PGS [1,0,0,0,0,0|2,1,0]=4 472 B7R1.1 CCc1nnco1 1P000WQS [1,0,0,0,0,0|3,0,0]=4 473 B7R1.1 CCn1cccc1 1P00EBJW [1,0,0,0,0,0|3,0,0]=4 474 B7R1.1 CCn1cccn1 1P003ES5 [1,0,0,0,0,0|3,0,0]=4 475 B7R1.1 CNc1ncco1 1P0039ZY [1,0,0,0,0,0|3,0,0]=4 476 B7R1.1 COc1cccs1 1P001YI0 [1,0,0,0,0,0|2,1,0]=4 477 B7R1.1 CSc1ccc[nH]1 1P01ID3L [1,0,0,0,0,0|3,0,0]=4 478 B7R1.1 CSc1ccco1 1P000WBV [1,0,0,0,0,0|2,0,0]=3 479 B7R1.1 CSc1cccs1 1P0033CD [1,0,0,0,0,0|2,1,0]=4 480 B7R1.1 CSc1ncco1 1P002DMB [1,0,0,0,0,0|3,0,0]=4 481 B7R1.1 ClCc1c[nH]cn1 1P00I84M [1,0,0,0,0,0|3,0,0]=4 482 B7R1.1 ClCc1cc[nH]n1 1P003IO3 [1,0,0,0,0,0|3,0,0]=4 483 B7R1.1 ClCc1cccs1 1P005XFR [1,0,0,0,0,0|1,1,0]=3 484 B7R1.1 ClCc1ccno1 1P00ECFK [1,0,0,0,0,0|2,0,0]=3 485 B7R1.1 ClCc1ccns1 1P0078AS [1,0,0,0,0,0|2,1,0]=4 486 B7R1.1 ClCc1ccon1 1P00IAQH [1,0,0,0,0,0|3,0,0]=4 487 B7R1.1 ClCc1ccsn1 1P020M65 [1,0,0,0,0,0|3,0,0]=4 488 B7R1.1 ClCc1cnco1 1P007W6B [1,0,0,0,0,0|2,0,0]=3 489 B7R1.1 ClCc1cncs1 1P009I1Z [1,0,0,0,0,0|2,1,0]=4 490 B7R1.1 ClCc1cncs1 1P00DCWM [1,0,0,0,0,0|2,1,0]=4 491 B7R1.1 ClCc1cocn1 1P005ISW [1,0,0,0,0,0|3,0,0]=4 492 B7R1.1 ClCc1cocn1 1P00FH8Z [1,0,0,0,0,0|3,0,0]=4 493 B7R1.1 ClCc1cscc1 1P00C23C [1,0,0,0,0,0|3,0,0]=4 494 B7R1.1 ClCc1cscn1 1P003KNK [1,0,0,0,0,0|3,0,0]=4 495 B7R1.1 ClCc1ncc[nH]1 1P00FDMX [1,0,0,0,0,0|3,0,0]=4 496 B7R1.1 ClCc1ncco1 1P0038DX [1,0,0,0,0,0|2,0,0]=3 497 B7R1.1 ClCc1ncco1 1P028B1R [1,0,0,0,0,0|2,0,0]=3 498 B7R1.1 ClCc1nccs1 1P00FM3G [1,0,0,0,0,0|2,1,0]=4 499 B7R1.1 ClCc1nccs1 1P00I738 [1,0,0,0,0,0|2,1,0]=4 500 B7R1.1 ClCc1ncno1 1P019M1U [1,0,0,0,0,0|3,0,0]=4 501 B7R1.1 ClCc1nnco1 1P00370N [1,0,0,0,0,0|3,0,0]=4 502 B7R1.1 ClCn1cccn1 1P00FET4 [1,0,0,0,0,0|3,0,0]=4 503 B7R1.1 N#Cc1ccco1 1P003BOZ [1,0,0,0,0,0|1,0,1]=3 504 B7R1.1 N#Cc1cccs1 1P0001Y6 [1,0,0,0,0,0|1,1,1]=4 505 B7R1.1 N#Cc1ncco1 1P0061S1 [1,0,0,0,0,0|2,0,1]=4 506 B7R1.1 NCc1c[nH]cc1 1P008B5V [1,0,0,0,0,0|3,0,0]=4 507 B7R1.1 NCc1c[nH]cn1 1P00FFS6 [1,0,0,0,0,0|3,0,0]=4 508 B7R1.1 NCc1cc[nH]n1 1P00398P [1,0,0,0,0,0|3,0,0]=4 509 B7R1.1 NCc1ccc[nH]1 1P0033BP [1,0,0,0,0,0|2,0,0]=3 510 B7R1.1 NCc1ccc[nH]1 1P006SOC [1,0,0,0,0,0|2,0,0]=3 511 B7R1.1 NCc1ccco1 1P00IBDE [1,0,0,0,0,0|1,0,0]=2 512 B7R1.1 NCc1cccs1 1P002V4I [1,0,0,0,0,0|1,1,0]=3 513 B7R1.1 NCc1ccn[nH]1 1P008UV1 [1,0,0,0,0,0|3,0,0]=4 514 B7R1.1 NCc1ccno1 1P0037YF [1,0,0,0,0,0|2,0,0]=3 515 B7R1.1 NCc1ccno1 1P007323 [1,0,0,0,0,0|2,0,0]=3 516 B7R1.1 NCc1ccns1 1P01B6TZ [1,0,0,0,0,0|2,1,0]=4 517 B7R1.1 NCc1ccns1 1P01B6V6 [1,0,0,0,0,0|2,1,0]=4 518 B7R1.1 NCc1ccon1 1P00811U [1,0,0,0,0,0|3,0,0]=4 519 B7R1.1 NCc1ccon1 1P009337 [1,0,0,0,0,0|3,0,0]=4 520 B7R1.1 NCc1ccsn1 1P0076B9 [1,0,0,0,0,0|3,0,0]=4 521 B7R1.1 NCc1cnco1 1P000PTG [1,0,0,0,0,0|2,0,0]=3 522 B7R1.1 NCc1cncs1 1P001WDD [1,0,0,0,0,0|2,1,0]=4 523 B7R1.1 NCc1cncs1 1P00811W [1,0,0,0,0,0|2,1,0]=4 524 B7R1.1 NCc1cocc1 1P0038AA [1,0,0,0,0,0|3,0,0]=4 525 B7R1.1 NCc1cocc1 1P009BQA [1,0,0,0,0,0|3,0,0]=4 526 B7R1.1 NCc1cocn1 1P0039FL [1,0,0,0,0,0|3,0,0]=4 527 B7R1.1 NCc1cocn1 1P00DG0B [1,0,0,0,0,0|3,0,0]=4 528 B7R1.1 NCc1cscc1 1P000GRT [1,0,0,0,0,0|3,0,0]=4 529 B7R1.1 NCc1cscc1 1P002V4H [1,0,0,0,0,0|3,0,0]=4 530 B7R1.1 NCc1cscn1 1P000E2I [1,0,0,0,0,0|3,0,0]=4 531 B7R1.1 NCc1cscn1 1P001WF7 [1,0,0,0,0,0|3,0,0]=4 532 B7R1.1 NCc1nc[nH]c1 1P0038XO [1,0,0,0,0,0|3,0,0]=4 533 B7R1.1 NCc1ncc[nH]1 1P001A1F [1,0,0,0,0,0|3,0,0]=4 534 B7R1.1 NCc1ncc[nH]1 1P003A7Q [1,0,0,0,0,0|3,0,0]=4 535 B7R1.1 NCc1ncco1 1P0038HB [1,0,0,0,0,0|2,0,0]=3 536 B7R1.1 NCc1ncco1 1P028B4B [1,0,0,0,0,0|2,0,0]=3 537 B7R1.1 NCc1nccs1 1P0033BR [1,0,0,0,0,0|2,1,0]=4 538 B7R1.1 NCc1nccs1 1P0037J6 [1,0,0,0,0,0|2,1,0]=4 539 B7R1.1 NCc1nccs1 1P00G4H4 [1,0,0,0,0,0|2,1,0]=4 540 B7R1.1 NCc1ncno1 1P01FJYD [1,0,0,0,0,0|3,0,0]=4 541 B7R1.1 NCc1ncsc1 1P00J1AF [1,0,0,0,0,0|3,0,0]=4 542 B7R1.1 NCc1nnco1 1P001950 [1,0,0,0,0,0|3,0,0]=4 543 B7R1.1 NCc1ocnc1 1P009I2F [1,0,0,0,0,0|2,0,0]=3 544 B7R1.1 NCc1scnc1 1P0015PG [1,0,0,0,0,0|2,1,0]=4 545 B7R1.1 O=Cc1ccc[nH]1 1P0001Y8 [1,0,0,0,0,0|1,0,2]=4 546 B7R1.1 O=Cc1ccc[se]1 1P002QYK [1,0,0,0,0,0|0,1,2]=4 547 B7R1.1 O=Cc1ccco1 1P0033SN [1,0,0,0,0,0|0,0,2]=3 548 B7R1.1 O=Cc1cccs1 1P0039RD [1,0,0,0,0,0|0,1,2]=4 549 B7R1.1 O=Cc1ccno1 1P00ABVW [1,0,0,0,0,0|1,0,2]=4 550 B7R1.1 O=Cc1cnco1 1P007RNX [1,0,0,0,0,0|1,0,2]=4 551 B7R1.1 O=Cc1ncco1 1P0037C2 [1,0,0,0,0,0|1,0,2]=4 552 B7R1.1 OCC1=CCCC1 1P00842I [1,0,0,0,0,0|1,0,2]=4 553 B7R1.1 OCC1CC=CC1 1P002R0D [1,0,0,0,0,0|1,0,2]=4 554 B7R1.1 OCC1CCC=C1 1P0012O5 [1,0,0,0,0,0|1,0,2]=4 555 B7R1.1 OCC1NCC=C1 1P009E8W [1,0,0,0,0,0|1,0,2]=4 556 B7R1.1 OC[C-]1C=CC=C1 1P000XDA [1,0,0,0,0,0|1,0,1]=3 557 B7R1.1 OC[C-]1C=CC=C1 1P000ZBP [1,0,0,0,0,0|1,0,1]=3 558 B7R1.1 OCc1c[nH]cc1 1P00FVQG [1,0,0,0,0,0|2,0,0]=3 559 B7R1.1 OCc1c[nH]cn1 1P0038JP [1,0,0,0,0,0|2,0,0]=3 560 B7R1.1 OCc1c[nH]cn1 1P0056GC [1,0,0,0,0,0|2,0,0]=3 561 B7R1.1 OCc1c[nH]nc1 1P002RF9 [1,0,0,0,0,0|3,0,0]=4 562 B7R1.1 OCc1c[nH]nn1 1P00564K [1,0,0,0,0,0|3,0,0]=4 563 B7R1.1 OCc1c[nH]nn1 1P01BACC [1,0,0,0,0,0|3,0,0]=4 564 B7R1.1 OCc1cc[nH]n1 1P002O87 [1,0,0,0,0,0|2,0,0]=3 565 B7R1.1 OCc1ccco1 1P003R60 [1,0,0,0,0,0|0,0,0]=1 566 B7R1.1 OCc1cccs1 1P003BQJ [1,0,0,0,0,0|0,1,0]=2 567 B7R1.1 OCc1ccno1 1P006AUF [1,0,0,0,0,0|1,0,0]=2 568 B7R1.1 OCc1ccns1 1P00ACUC [1,0,0,0,0,0|1,1,0]=3 569 B7R1.1 OCc1ccon1 1P0036QI [1,0,0,0,0,0|2,0,0]=3 570 B7R1.1 OCc1ccsn1 1P01V5TO [1,0,0,0,0,0|2,0,0]=3 571 B7R1.1 OCc1cnco1 1P000X8T [1,0,0,0,0,0|1,0,0]=2 572 B7R1.1 OCc1cncs1 1P0034R1 [1,0,0,0,0,0|1,1,0]=3 573 B7R1.1 OCc1cnns1 1P008RO7 [1,0,0,0,0,0|2,1,0]=4 574 B7R1.1 OCc1cnon1 1P019T2P [1,0,0,0,0,0|3,0,0]=4 575 B7R1.1 OCc1cnsn1 1P01BCP3 [1,0,0,0,0,0|3,0,0]=4 576 B7R1.1 OCc1cocc1 1P0072QO [1,0,0,0,0,0|2,0,0]=3 577 B7R1.1 OCc1cocn1 1P001ON1 [1,0,0,0,0,0|2,0,0]=3 578 B7R1.1 OCc1conc1 1P0038JR [1,0,0,0,0,0|3,0,0]=4 579 B7R1.1 OCc1cscc1 1P003KDJ [1,0,0,0,0,0|2,0,0]=3 580 B7R1.1 OCc1cscn1 1P003AEU [1,0,0,0,0,0|2,0,0]=3 581 B7R1.1 OCc1csnc1 1P00BAEG [1,0,0,0,0,0|3,0,0]=4 582 B7R1.1 OCc1csnn1 1P00DDO2 [1,0,0,0,0,0|3,0,0]=4 583 B7R1.1 OCc1ncc[nH]1 1P000CAH [1,0,0,0,0,0|2,0,0]=3 584 B7R1.1 OCc1ncc[nH]1 1P00BYAS [1,0,0,0,0,0|2,0,0]=3 585 B7R1.1 OCc1ncco1 1P000V32 [1,0,0,0,0,0|1,0,0]=2 586 B7R1.1 OCc1nccs1 1P001DHQ [1,0,0,0,0,0|1,1,0]=3 587 B7R1.1 OCc1ncn[nH]1 1P000KXU [1,0,0,0,0,0|3,0,0]=4 588 B7R1.1 OCc1ncn[nH]1 1P000POT [1,0,0,0,0,0|3,0,0]=4 589 B7R1.1 OCc1ncno1 1P01DTPJ [1,0,0,0,0,0|2,0,0]=3 590 B7R1.1 OCc1nncs1 1P00E8XG [1,0,0,0,0,0|2,1,0]=4 591 B7R1.1 OCc1nocn1 1P0093FC [1,0,0,0,0,0|3,0,0]=4 592 B7R1.1 OCn1cccn1 1P007CY4 [1,0,0,0,0,0|2,0,0]=3 593 B7R1.1 OCn1cncn1 1P008R9D [1,0,0,0,0,0|3,0,0]=4 594 B7R1.1 SCc1ccc[nH]1 1P01DX9D [1,0,0,0,0,0|1,1,0]=3 595 B7R1.1 SCc1ccco1 1P003R61 [1,0,0,0,0,0|0,1,0]=2 596 B7R1.1 SCc1cccs1 1P003IEO [1,0,0,0,0,0|0,2,0]=3 597 B7R1.1 SCc1ccno1 1P020M66 [1,0,0,0,0,0|1,1,0]=3 598 B7R1.1 SCc1ccon1 1P020M64 [1,0,0,0,0,0|2,1,0]=4 599 B7R1.1 SCc1cncs1 1P028027 [1,0,0,0,0,0|1,2,0]=4 600 B7R1.1 SCc1cocc1 1P01Q6AT [1,0,0,0,0,0|2,1,0]=4 601 B7R1.1 SCc1cocn1 1P028V8N [1,0,0,0,0,0|2,1,0]=4 602 B7R1.1 SCc1cscc1 1P001V2D [1,0,0,0,0,0|2,1,0]=4 603 B7R1.1 SCc1cscn1 1P007YQ1 [1,0,0,0,0,0|2,1,0]=4 604 B7R1.1 SCc1nccs1 1P020M67 [1,0,0,0,0,0|1,2,0]=4 605 B7R1.1 c1cnoc1C#N 1P00FFST [1,0,0,0,0,0|2,0,1]=4 606 B7R1.1 c1ncoc1C#N 1P00FEG2 [1,0,0,0,0,0|2,0,1]=4 607 B7R1.2 BrC1C=CC(=O)O1 1P00CLVZ [1,0,0,0,0,0|1,0,2]=4 608 B7R1.2 Brc1ccc([se]1)Br 1P0021HJ [1,0,0,0,0,0|2,1,0]=4 609 B7R1.2 Brc1ccc(o1)Br 1P0033GQ [1,0,0,0,0,0|2,0,0]=3 610 B7R1.2 Brc1ccc(s1)Br 1P003GDK [1,0,0,0,0,0|2,1,0]=4 611 B7R1.2 Brc1ccc(s1)I 1P002Z2N [1,0,0,0,0,0|2,1,0]=4 612 B7R1.2 Brc1cnc([nH]1)C 1P001TQX [1,0,0,0,0,0|3,0,0]=4 613 B7R1.2 Brc1cnc(o1)C 1P01AD3O [1,0,0,0,0,0|2,0,0]=3 614 B7R1.2 Brc1cnc(s1)C 1P003MYG [1,0,0,0,0,0|2,1,0]=4 615 B7R1.2 Brc1csc(c1)C 1P002YT6 [1,0,0,0,0,0|3,0,0]=4 616 B7R1.2 Brc1csc(n1)C 1P003LDZ [1,0,0,0,0,0|3,0,0]=4 617 B7R1.2 Brc1csc(n1)O 1P00953P [1,0,0,0,0,0|3,0,0]=4 618 B7R1.2 CC1=CCC(=O)O1 1P001512 [1,0,0,0,0,0|0,0,2]=3 619 B7R1.2 CC1=NN=C(C1)C 1P019FB2 [1,0,0,0,0,0|3,0,0]=4 620 B7R1.2 CC1C=CC(=O)O1 1P0034RE [1,0,0,0,0,0|0,0,2]=3 621 B7R1.2 CC1C=CC(=O)S1 1P006AW5 [1,0,0,0,0,0|0,1,2]=4 622 B7R1.2 Cc1[nH]cc(c1)C 1P0036EO [1,0,0,0,0,0|2,0,0]=3 623 B7R1.2 Cc1[nH]cc(n1)C 1P0033GF [1,0,0,0,0,0|2,0,0]=3 624 B7R1.2 Cc1[nH]nc(c1)C 1P00340B [1,0,0,0,0,0|3,0,0]=4 625 B7R1.2 Cc1c[nH]c(=O)[nH]1 1P000ITB [1,0,0,0,0,0|2,0,1]=4 626 B7R1.2 Cc1c[nH]c(=O)s1 1P005LJG [1,0,0,0,0,0|1,1,1]=4 627 B7R1.2 Cc1c[nH]c(n1)Br 1P028WVE [1,0,0,0,0,0|3,0,0]=4 628 B7R1.2 Cc1c[nH]c(n1)I 1P00FDDF [1,0,0,0,0,0|3,0,0]=4 629 B7R1.2 Cc1c[nH]c(n1)N 1P00FB1G [1,0,0,0,0,0|3,0,0]=4 630 B7R1.2 Cc1c[nH]c(n1)S 1P007G57 [1,0,0,0,0,0|2,1,0]=4 631 B7R1.2 Cc1ccc([nH]1)C 1P0033H9 [1,0,0,0,0,0|1,0,0]=2 632 B7R1.2 Cc1ccc(o1)Br 1P000LMO [1,0,0,0,0,0|1,0,0]=2 633 B7R1.2 Cc1ccc(o1)C 1P00IBHV [1,0,0,0,0,0|0,0,0]=1 634 B7R1.2 Cc1ccc(s1)Br 1P003H6V [1,0,0,0,0,0|1,1,0]=3 635 B7R1.2 Cc1ccc(s1)C 1P0037FV [1,0,0,0,0,0|0,1,0]=2 636 B7R1.2 Cc1ccc(s1)Cl 1P003BNY [1,0,0,0,0,0|1,1,0]=3 637 B7R1.2 Cc1ccc(s1)I 1P001VNL [1,0,0,0,0,0|1,1,0]=3 638 B7R1.2 Cc1ccc(s1)O 1P01DWX2 [1,0,0,0,0,0|0,1,0]=2 639 B7R1.2 Cc1ccc(s1)S 1P00D0KV [1,0,0,0,0,0|0,2,0]=3 640 B7R1.2 Cc1ccn(c1)C 1P01BKQP [1,0,0,0,0,0|2,0,0]=3 641 B7R1.2 Cc1ccn(c1)N 1P024RJW [1,0,0,0,0,0|3,0,0]=4 642 B7R1.2 Cc1ccn(n1)C 1P00332M [1,0,0,0,0,0|2,0,0]=3 643 B7R1.2 Cc1cnc([nH]1)Br 1P002NCF [1,0,0,0,0,0|3,0,0]=4 644 B7R1.2 Cc1cnc([nH]1)Cl 1P01ZYD1 [1,0,0,0,0,0|3,0,0]=4 645 B7R1.2 Cc1cnc([nH]1)N 1P008U4V [1,0,0,0,0,0|3,0,0]=4 646 B7R1.2 Cc1cnc(o1)Br 1P009D83 [1,0,0,0,0,0|2,0,0]=3 647 B7R1.2 Cc1cnc(o1)Cl 1P01EIR2 [1,0,0,0,0,0|2,0,0]=3 648 B7R1.2 Cc1cnc(o1)I 1P027TXE [1,0,0,0,0,0|2,0,0]=3 649 B7R1.2 Cc1cnc(o1)N 1P003846 [1,0,0,0,0,0|2,0,0]=3 650 B7R1.2 Cc1cnc(s1)Br 1P0033ML [1,0,0,0,0,0|2,1,0]=4 651 B7R1.2 Cc1cnc(s1)Cl 1P00I6ZQ [1,0,0,0,0,0|2,1,0]=4 652 B7R1.2 Cc1cnc(s1)F 1P003AHM [1,0,0,0,0,0|2,1,0]=4 653 B7R1.2 Cc1cnc(s1)I 1P00G9TC [1,0,0,0,0,0|2,1,0]=4 654 B7R1.2 Cc1cnc(s1)N 1P003GY4 [1,0,0,0,0,0|2,1,0]=4 655 B7R1.2 Cc1cnc(s1)N 1P01D9HV [1,0,0,0,0,0|2,1,0]=4 656 B7R1.2 Cc1cnn(c1)C 1P003E5J [1,0,0,0,0,0|3,0,0]=4 657 B7R1.2 Cc1coc(=S)[nH]1 1P000UJM [1,0,0,0,0,0|2,1,0]=4 658 B7R1.2 Cc1coc(n1)Br 1P0090WY [1,0,0,0,0,0|3,0,0]=4 659 B7R1.2 Cc1coc(n1)Br 1P01B9KK [1,0,0,0,0,0|3,0,0]=4 660 B7R1.2 Cc1coc(n1)Cl 1P027ZTX [1,0,0,0,0,0|3,0,0]=4 661 B7R1.2 Cc1coc(n1)I 1P01DW1G [1,0,0,0,0,0|3,0,0]=4 662 B7R1.2 Cc1coc(n1)N 1P00I7J9 [1,0,0,0,0,0|3,0,0]=4 663 B7R1.2 Cc1csc(=O)[nH]1 1P00CLWY [1,0,0,0,0,0|2,0,1]=4 664 B7R1.2 Cc1csc(=S)[nH]1 1P003M9I [1,0,0,0,0,0|2,1,0]=4 665 B7R1.2 Cc1csc(c1)Br 1P00DIEK [1,0,0,0,0,0|3,0,0]=4 666 B7R1.2 Cc1csc(c1)N 1P001FKH [1,0,0,0,0,0|3,0,0]=4 667 B7R1.2 Cc1csc(c1)N 1P00H1HI [1,0,0,0,0,0|3,0,0]=4 668 B7R1.2 Cc1csc(c1)S 1P01BJTY [1,0,0,0,0,0|2,1,0]=4 669 B7R1.2 Cc1csc(n1)Br 1P005IFO [1,0,0,0,0,0|3,0,0]=4 670 B7R1.2 Cc1csc(n1)Cl 1P00387L [1,0,0,0,0,0|3,0,0]=4 671 B7R1.2 Cc1csc(n1)I 1P00CLZN [1,0,0,0,0,0|3,0,0]=4 672 B7R1.2 Cc1csc(n1)N 1P001SAV [1,0,0,0,0,0|3,0,0]=4 673 B7R1.2 Cc1csc(n1)N 1P003GWA [1,0,0,0,0,0|3,0,0]=4 674 B7R1.2 Cc1csc(n1)S 1P00EKE6 [1,0,0,0,0,0|2,1,0]=4 675 B7R1.2 Cc1n[nH]c(=O)o1 1P00385H [1,0,0,0,0,0|2,0,1]=4 676 B7R1.2 Cc1n[nH]c(c1)O 1P0011IB [1,0,0,0,0,0|3,0,0]=4 677 B7R1.2 Cc1ncc(o1)C 1P002MBO [1,0,0,0,0,0|1,0,0]=2 678 B7R1.2 Cc1ncc(s1)C 1P0038D4 [1,0,0,0,0,0|1,1,0]=3 679 B7R1.2 Cc1nnc([nH]1)C 1P003J51 [1,0,0,0,0,0|3,0,0]=4 680 B7R1.2 Cc1nnc([nH]1)O 1P00IHWV [1,0,0,0,0,0|3,0,0]=4 681 B7R1.2 Cc1nnc(o1)Br 1P004R6D [1,0,0,0,0,0|3,0,0]=4 682 B7R1.2 Cc1nnc(o1)C 1P000WQP [1,0,0,0,0,0|2,0,0]=3 683 B7R1.2 Cc1nnc(o1)Cl 1P01B86E [1,0,0,0,0,0|3,0,0]=4 684 B7R1.2 Cc1nnc(o1)I 1P01BI7M [1,0,0,0,0,0|3,0,0]=4 685 B7R1.2 Cc1nnc(o1)N 1P00D9EM [1,0,0,0,0,0|3,0,0]=4 686 B7R1.2 Cc1nnc(o1)S 1P00BXBM [1,0,0,0,0,0|2,1,0]=4 687 B7R1.2 Cc1nnc(s1)C 1P003GFU [1,0,0,0,0,0|2,1,0]=4 688 B7R1.2 Cc1noc(c1)O 1P019SLV [1,0,0,0,0,0|3,0,0]=4 689 B7R1.2 Cc1noc(n1)O 1P00E2TD [1,0,0,0,0,0|3,0,0]=4 690 B7R1.2 Cc1nsc(=O)o1 1P01A4NH [1,0,0,0,0,0|2,0,1]=4 691 B7R1.2 Cc1occ(c1)C 1P00CVZ8 [1,0,0,0,0,0|2,0,0]=3 692 B7R1.2 Cc1occ(n1)C 1P003GB6 [1,0,0,0,0,0|2,0,0]=3 693 B7R1.2 Cc1onc(c1)C 1P003J5N [1,0,0,0,0,0|3,0,0]=4 694 B7R1.2 Cc1scc(c1)C 1P00E9VH [1,0,0,0,0,0|2,0,0]=3 695 B7R1.2 Cc1scc(n1)C 1P0037JU [1,0,0,0,0,0|2,0,0]=3 696 B7R1.2 Clc1ccc(s1)Br 1P002WQS [1,0,0,0,0,0|2,1,0]=4 697 B7R1.2 Clc1ccc(s1)Cl 1P003GEI [1,0,0,0,0,0|2,1,0]=4 698 B7R1.2 Clc1ccc(s1)I 1P002WOU [1,0,0,0,0,0|2,1,0]=4 699 B7R1.2 Clc1cnc(s1)C 1P01BBPJ [1,0,0,0,0,0|2,1,0]=4 700 B7R1.2 Cn1cc(cn1)O 1P003AKQ [1,0,0,0,0,0|3,0,0]=4 701 B7R1.2 Cn1cc(cn1)O 1P01AFQM [1,0,0,0,0,0|3,0,0]=4 702 B7R1.2 Cn1cc[n+](c1)C 1P00332K [1,0,0,0,0,0|3,0,0]=4 703 B7R1.2 Cn1cc[n+](c1)C 1P00332L [1,0,0,0,0,0|3,0,0]=4 704 B7R1.2 Cn1cc[n+](c1)C 1P00DC0X [1,0,0,0,0,0|3,0,0]=4 705 B7R1.2 Cn1cc[n+](c1)C 1P00IKEA [1,0,0,0,0,0|3,0,0]=4 706 B7R1.2 Cn1ccc(=O)[nH]1 1P00DIE4 [1,0,0,0,0,0|2,0,1]=4 707 B7R1.2 Cn1ccc(c1)N 1P000JBD [1,0,0,0,0,0|3,0,0]=4 708 B7R1.2 Cn1ccc(n1)Br 1P001NIN [1,0,0,0,0,0|3,0,0]=4 709 B7R1.2 Cn1ccc(n1)Cl 1P00EE7Y [1,0,0,0,0,0|3,0,0]=4 710 B7R1.2 Cn1ccc(n1)F 1P0276L4 [1,0,0,0,0,0|3,0,0]=4 711 B7R1.2 Cn1ccc(n1)I 1P00377H [1,0,0,0,0,0|3,0,0]=4 712 B7R1.2 Cn1ccc(n1)N 1P002F0L [1,0,0,0,0,0|3,0,0]=4 713 B7R1.2 Cn1cnc(c1)C 1P00EDBF [1,0,0,0,0,0|3,0,0]=4 714 B7R1.2 Cn1cnc(n1)C 1P028078 [1,0,0,0,0,0|3,0,0]=4 715 B7R1.2 Fc1ccc(s1)Br 1P00CRCX [1,0,0,0,0,0|2,1,0]=4 716 B7R1.2 Fc1ccc(s1)I 1P01APFB [1,0,0,0,0,0|2,1,0]=4 717 B7R1.2 Ic1ccc(s1)I 1P003GFD [1,0,0,0,0,0|2,1,0]=4 718 B7R1.2 Ic1cnc([nH]1)C 1P0036ZU [1,0,0,0,0,0|3,0,0]=4 719 B7R1.2 Ic1cnc(o1)C 1P027ZEI [1,0,0,0,0,0|2,0,0]=3 720 B7R1.2 Ic1cnc(s1)C 1P01BK7H [1,0,0,0,0,0|2,1,0]=4 721 B7R1.2 Ic1csc(c1)C 1P001VNM [1,0,0,0,0,0|3,0,0]=4 722 B7R1.2 Nc1cnc(s1)C 1P00417S [1,0,0,0,0,0|2,1,0]=4 723 B7R1.2 Nc1csc(c1)C 1P00BGJR [1,0,0,0,0,0|3,0,0]=4 724 B7R1.2 Nc1csc(n1)C 1P0022AG [1,0,0,0,0,0|3,0,0]=4 725 B7R1.2 O=C1C=CC(=O)C1 1P003LQK [1,0,0,0,0,0|2,0,1]=4 726 B7R1.2 O=C1C=CC(=O)N1 1P0035L0 [1,0,0,0,0,0|2,0,1]=4 727 B7R1.2 O=C1C=CC(=O)O1 1P0035KZ [1,0,0,0,0,0|1,0,1]=3 728 B7R1.2 O=C1C=CC(=O)O1 1P01G8TR [1,0,0,0,0,0|1,0,1]=3 729 B7R1.2 O=C1CC=C(O1)C 1P0035K2 [1,0,0,0,0,0|0,0,2]=3 730 B7R1.2 O=C1CN=C(O1)C 1P002OPR [1,0,0,0,0,0|1,0,2]=4 731 B7R1.2 OC1C=CC(=O)C1 1P00EJSF [1,0,0,0,0,0|2,0,1]=4 732 B7R1.2 OC1C=CC(=O)O1 1P001CQE [1,0,0,0,0,0|1,0,1]=3 733 B7R1.2 O[C@H]1C=CC(=O)C1 1P00E9HE [1,0,0,0,0,0|2,0,1]=4 734 B7R1.2 Oc1c[nH]c(n1)C 1P0292BX [1,0,0,0,0,0|2,0,0]=3 735 B7R1.2 Oc1ccc(s1)Br 1P000WET [1,0,0,0,0,0|1,1,0]=3 736 B7R1.2 Oc1csc(n1)N 1P0068D4 [1,0,0,0,0,0|3,0,0]=4 737 B7R1.2 Oc1n[nH]c(c1)C 1P001L0T [1,0,0,0,0,0|3,0,0]=4 738 B7R1.2 Sc1csc(c1)C 1P01Q2WP [1,0,0,0,0,0|2,1,0]=4 739 B9R1.7 BrCCc1csc(c1)C 1P027WGA [0,1,0,0,0,0|3,0,0]=4 740 B9R1.7 Brc1ccc(s1)CC#N 1P005GPO [0,1,0,0,0,0|2,1,0]=4 741 B9R1.7 CCCc1ccc(s1)Br 1P007DLW [0,1,0,0,0,0|2,1,0]=4 742 B9R1.7 CCCc1csc(n1)C 1P00D7JO [0,1,0,0,0,0|3,0,0]=4 743 B9R1.7 CCNc1ccn(n1)C 1P028XGQ [0,1,0,0,0,0|3,0,0]=4 744 B9R1.7 CCNc1scc(n1)C 1P01AKMO [0,1,0,0,0,0|3,0,0]=4 745 B9R1.7 CNCc1[nH]cc(n1)C 1P00J3TH [0,1,0,0,0,0|3,0,0]=4 746 B9R1.7 CNCc1ccc([nH]1)C 1P027TXD [0,1,0,0,0,0|2,0,0]=3 747 B9R1.7 CNCc1ccc(o1)Br 1P019NFF [0,1,0,0,0,0|2,0,0]=3 748 B9R1.7 CNCc1ccc(o1)C 1P001EP7 [0,1,0,0,0,0|1,0,0]=2 749 B9R1.7 CNCc1ccc(o1)Cl 1P027VBZ [0,1,0,0,0,0|2,0,0]=3 750 B9R1.7 CNCc1ccc(s1)Br 1P006D50 [0,1,0,0,0,0|2,1,0]=4 751 B9R1.7 CNCc1ccc(s1)C 1P00GW4I [0,1,0,0,0,0|1,1,0]=3 752 B9R1.7 CNCc1ccc(s1)Cl 1P005T96 [0,1,0,0,0,0|2,1,0]=4 753 B9R1.7 CNCc1ccn(c1)C 1P027YIR [0,1,0,0,0,0|3,0,0]=4 754 B9R1.7 CNCc1ccn(n1)C 1P00GSWZ [0,1,0,0,0,0|3,0,0]=4 755 B9R1.7 CNCc1cnc(s1)C 1P00F69E [0,1,0,0,0,0|2,1,0]=4 756 B9R1.7 CNCc1coc(n1)C 1P01FKVU [0,1,0,0,0,0|3,0,0]=4 757 B9R1.7 CNCc1coc(n1)C 1P01FKVV [0,1,0,0,0,0|3,0,0]=4 758 B9R1.7 CNCc1csc(n1)C 1P001JI1 [0,1,0,0,0,0|3,0,0]=4 759 B9R1.7 CNCc1csc(n1)C 1P009534 [0,1,0,0,0,0|3,0,0]=4 760 B9R1.7 CNCc1ncc(o1)C 1P027XJA [0,1,0,0,0,0|2,0,0]=3 761 B9R1.7 CNCc1nnc(o1)C 1P004EIG [0,1,0,0,0,0|3,0,0]=4 762 B9R1.7 CNCc1nnc(o1)C 1P01B5YY [0,1,0,0,0,0|3,0,0]=4 763 B9R1.7 CNCc1scc(c1)C 1P008A2T [0,1,0,0,0,0|3,0,0]=4 764 B9R1.7 CNCc1scc(n1)C 1P00EM18 [0,1,0,0,0,0|3,0,0]=4 765 B9R1.7 CNCc1scc(n1)C 1P00J3SN [0,1,0,0,0,0|3,0,0]=4 766 B9R1.7 COCc1[nH]nc(n1)C 1P01A1IQ [0,1,0,0,0,0|3,0,0]=4 767 B9R1.7 COCc1[nH]nc(n1)C 1P01A21T [0,1,0,0,0,0|3,0,0]=4 768 B9R1.7 COCc1cc(cs1)Br 1P00HWPE [0,1,0,0,0,0|3,0,0]=4 769 B9R1.7 COCc1cnc(o1)Br 1P028PDD [0,1,0,0,0,0|2,0,0]=3 770 B9R1.7 COCc1cnc(s1)N 1P01B9U9 [0,1,0,0,0,0|2,1,0]=4 771 B9R1.7 COCc1coc(n1)Br 1P024RJM [0,1,0,0,0,0|3,0,0]=4 772 B9R1.7 COCc1csc(c1)Br 1P027XGR [0,1,0,0,0,0|3,0,0]=4 773 B9R1.7 COCc1csc(n1)Br 1P028LEG [0,1,0,0,0,0|3,0,0]=4 774 B9R1.7 COCc1csc(n1)N 1P00IBS4 [0,1,0,0,0,0|3,0,0]=4 775 B9R1.7 COCc1n[nH]c(=O)o1 1P01A006 [0,1,0,0,0,0|3,0,0]=4 776 B9R1.7 COCc1n[nH]c(c1)C 1P00JGX7 [0,1,0,0,0,0|3,0,0]=4 777 B9R1.7 COCc1ncn(c1)C 1P028ZD1 [0,1,0,0,0,0|3,0,0]=4 778 B9R1.7 COCc1nnc(o1)N 1P00C2OR [0,1,0,0,0,0|3,0,0]=4 779 B9R1.7 COCn1ncc(c1)C 1P01BI8E [0,1,0,0,0,0|3,0,0]=4 780 B9R1.7 Cc1c[nH]c(n1)CC#N 1P01BH7D [0,1,0,0,0,0|3,0,0]=4 781 B9R1.7 Cc1cc(no1)CCO 1P02908I [0,1,0,0,0,0|3,0,0]=4 782 B9R1.7 Cc1cc(sc1)CCN 1P028915 [0,1,0,0,0,0|3,0,0]=4 783 B9R1.7 Cc1ccc(o1)CCN 1P0031S1 [0,1,0,0,0,0|1,0,0]=2 784 B9R1.7 Cc1ccc(o1)CCO 1P00CNQA [0,1,0,0,0,0|0,0,0]=1 785 B9R1.7 Cc1ccc(o1)N=C=O 1P021EPZ [0,1,0,0,0,0|0,0,2]=3 786 B9R1.7 Cc1ccc(s1)CC#N 1P01BC2Y [0,1,0,0,0,0|1,1,0]=3 787 B9R1.7 Cc1ccc(s1)CC=O 1P01DVRI [0,1,0,0,0,0|0,1,1]=3 788 B9R1.7 Cc1ccc(s1)CCBr 1P028V6A [0,1,0,0,0,0|1,1,0]=3 789 B9R1.7 Cc1ccc(s1)CCN 1P0015S3 [0,1,0,0,0,0|1,1,0]=3 790 B9R1.7 Cc1ccc(s1)CCN 1P0030KN [0,1,0,0,0,0|1,1,0]=3 791 B9R1.7 Cc1ccc(s1)CCO 1P01BBAZ [0,1,0,0,0,0|0,1,0]=2 792 B9R1.7 Cc1ccc(s1)N=C=O 1P005KY0 [0,1,0,0,0,0|0,1,2]=4 793 B9R1.7 Cc1ccn(n1)CCBr 1P0066AA [0,1,0,0,0,0|3,0,0]=4 794 B9R1.7 Cc1ccn(n1)CCCl 1P006R85 [0,1,0,0,0,0|3,0,0]=4 795 B9R1.7 Cc1ccn(n1)CCN 1P00EBCC [0,1,0,0,0,0|3,0,0]=4 796 B9R1.7 Cc1ccn(n1)CCO 1P00BZKP [0,1,0,0,0,0|2,0,0]=3 797 B9R1.7 Cc1ccn(n1)CCO 1P01FIC5 [0,1,0,0,0,0|2,0,0]=3 798 B9R1.7 Cc1cn(nc1)CCO 1P00030E [0,1,0,0,0,0|3,0,0]=4 799 B9R1.7 Cc1cn(nc1)CCO 1P00J29Q [0,1,0,0,0,0|3,0,0]=4 800 B9R1.7 Cc1cnc(s1)CCN 1P00JDK5 [0,1,0,0,0,0|2,1,0]=4 801 B9R1.7 Cc1csc(n1)CC#N 1P002BKZ [0,1,0,0,0,0|3,0,0]=4 802 B9R1.7 Cc1csc(n1)CCN 1P00EERS [0,1,0,0,0,0|3,0,0]=4 803 B9R1.7 Cc1nc(c[nH]1)CCO 1P0282J5 [0,1,0,0,0,0|2,0,0]=3 804 B9R1.7 Cc1nc(co1)CC#N 1P01P35H [0,1,0,0,0,0|3,0,0]=4 805 B9R1.7 Cc1nc(co1)CCN 1P028JV2 [0,1,0,0,0,0|3,0,0]=4 806 B9R1.7 Cc1nc(cs1)CC#N 1P009XSN [0,1,0,0,0,0|3,0,0]=4 807 B9R1.7 Cc1nc(cs1)CCCl 1P008VZ8 [0,1,0,0,0,0|3,0,0]=4 808 B9R1.7 Cc1nc(cs1)CCCl 1P00J2C8 [0,1,0,0,0,0|3,0,0]=4 809 B9R1.7 Cc1nc(cs1)CCO 1P007QY7 [0,1,0,0,0,0|2,0,0]=3 810 B9R1.7 Cc1ncc(o1)CC#N 1P01BUCE [0,1,0,0,0,0|2,0,0]=3 811 B9R1.7 Cc1ncc(s1)CC#N 1P01AIBF [0,1,0,0,0,0|2,1,0]=4 812 B9R1.7 Cc1ncc(s1)CCN 1P01A1Y4 [0,1,0,0,0,0|2,1,0]=4 813 B9R1.7 Cc1ncc(s1)CCO 1P018KUW [0,1,0,0,0,0|1,1,0]=3 814 B9R1.7 Cc1nnc([nH]1)CCO 1P0287NB [0,1,0,0,0,0|3,0,0]=4 815 B9R1.7 Cc1nnc(o1)CC#N 1P009EEB [0,1,0,0,0,0|3,0,0]=4 816 B9R1.7 Cc1nnc(o1)CCBr 1P01CAO9 [0,1,0,0,0,0|3,0,0]=4 817 B9R1.7 Cc1nnc(o1)CCN 1P00EAFW [0,1,0,0,0,0|3,0,0]=4 818 B9R1.7 Cc1nnc(o1)CCO 1P01AFMP [0,1,0,0,0,0|2,0,0]=3 819 B9R1.7 Cc1nnc(s1)CCO 1P00GMBV [0,1,0,0,0,0|2,1,0]=4 820 B9R1.7 Clc1ccc(s1)CC#N 1P01AAXT [0,1,0,0,0,0|2,1,0]=4 821 B9R1.7 Cn1cc(nc1)CCO 1P01DWZ2 [0,1,0,0,0,0|3,0,0]=4 822 B9R1.7 Cn1ccc(n1)C=NO 1P0287XW [0,1,0,0,0,0|2,0,1]=4 823 B9R1.7 Cn1ccc(n1)CC#N 1P0097HN [0,1,0,0,0,0|3,0,0]=4 824 B9R1.7 Cn1ccc(n1)CCN 1P00JGNI [0,1,0,0,0,0|3,0,0]=4 825 B9R1.7 Cn1ccc(n1)CCO 1P01B5GX [0,1,0,0,0,0|2,0,0]=3 826 B9R1.7 Cn1nc(cn1)CCO 1P01DTIP [0,1,0,0,0,0|3,0,0]=4 827 B9R1.7 N#CCc1csc(c1)C 1P027ZLN [0,1,0,0,0,0|3,0,0]=4 828 B9R1.7 NCCc1ccc(o1)Br 1P01A1LP [0,1,0,0,0,0|2,0,0]=3 829 B9R1.7 NCCc1ccc(o1)Br 1P01AES0 [0,1,0,0,0,0|2,0,0]=3 830 B9R1.7 NCCc1ccc(s1)Br 1P00H3HI [0,1,0,0,0,0|2,1,0]=4 831 B9R1.7 NCCc1ccc(s1)Cl 1P00DK83 [0,1,0,0,0,0|2,1,0]=4 832 B9R1.7 NCCc1ccc(s1)I 1P01AA75 [0,1,0,0,0,0|2,1,0]=4 833 B9R1.7 NCCc1ccn(n1)C 1P00IW99 [0,1,0,0,0,0|3,0,0]=4 834 B9R1.7 NCCc1cnc(o1)C 1P01FJW6 [0,1,0,0,0,0|2,0,0]=3 835 B9R1.7 NCCc1csc(n1)C 1P01A3PD [0,1,0,0,0,0|3,0,0]=4 836 B9R1.7 NCCc1csc(n1)C 1P028D1O [0,1,0,0,0,0|3,0,0]=4 837 B9R1.7 NCCc1nc([nH]c1)C 1P007AK9 [0,1,0,0,0,0|3,0,0]=4 838 B9R1.7 NCCc1ncc(o1)C 1P028TLR [0,1,0,0,0,0|2,0,0]=3 839 B9R1.7 NCCc1ncc(s1)C 1P01AI7W [0,1,0,0,0,0|2,1,0]=4 840 B9R1.7 NCCn1ccc(n1)C 1P01DTPF [0,1,0,0,0,0|3,0,0]=4 841 B9R1.7 NNCc1ccn(n1)C 1P01JV8W [0,1,0,0,0,0|3,0,0]=4 842 B9R1.7 NOCc1cnc(s1)C 1P0284RB [0,1,0,0,0,0|1,1,0]=3 843 B9R1.7 Nc1ccn(n1)CCO 1P008IOU [0,1,0,0,0,0|3,0,0]=4 844 B9R1.7 Nc1nc(cs1)CCO 1P0020BA [0,1,0,0,0,0|3,0,0]=4 845 B9R1.7 Nc1nc(cs1)CCO 1P00J25V [0,1,0,0,0,0|3,0,0]=4 846 B9R1.7 Nc1ncc(s1)CCO 1P0033K3 [0,1,0,0,0,0|2,1,0]=4 847 B9R1.7 OCC[n+]1ccn(c1)C 1P00391Z [0,1,0,0,0,0|3,0,0]=4 848 B9R1.7 OCC[n+]1ccn(c1)C 1P00CI09 [0,1,0,0,0,0|3,0,0]=4 849 B9R1.7 OCCc1ccc(s1)Br 1P01DWYV [0,1,0,0,0,0|1,1,0]=3 850 B9R1.7 OCCc1ccc(s1)Cl 1P01EARD [0,1,0,0,0,0|1,1,0]=3 851 B9R1.7 OCCc1cnc(s1)Cl 1P0026F7 [0,1,0,0,0,0|2,1,0]=4 852 B9R1.7 OCCc1cnn(c1)C 1P00259D [0,1,0,0,0,0|3,0,0]=4 853 B9R1.7 OCCc1csc(c1)Br 1P01BHKN [0,1,0,0,0,0|3,0,0]=4 854 B9R1.7 OCCc1csc(c1)C 1P01BBDV [0,1,0,0,0,0|2,0,0]=3 855 B9R1.7 OCCc1csc(c1)Cl 1P0288A7 [0,1,0,0,0,0|3,0,0]=4 856 B9R1.7 OCCc1csc(n1)Br 1P002T5S [0,1,0,0,0,0|3,0,0]=4 857 B9R1.7 OCCc1ncc(s1)Br 1P028YH4 [0,1,0,0,0,0|2,1,0]=4 858 B9R1.7 OCCn1ccc(=O)[nH]1 1P028HFB [0,1,0,0,0,0|3,0,0]=4 859 B9R1.7 OCCn1ccc(n1)Br 1P01V8ES [0,1,0,0,0,0|3,0,0]=4 860 B9R1.7 ON=Cc1ccc(o1)Cl 1P019LVD [0,1,0,0,0,0|1,0,1]=3 861 B9R1.7 O\N=C\c1ccc(s1)Br 1P003N1S [0,1,0,0,0,0|1,1,1]=4 862 B9R1.7 [C-]#[N+]Cc1ccc(o1)C 1P01NLZE [0,1,0,0,0,0|1,0,0]=2 863 B9R1.21 BrCc1ccc(o1)C#N 1P00B1NQ [0,1,0,0,0,0|1,0,1]=3 864 B9R1.21 BrCc1ccc(o1)C=O 1P00CKZQ [0,1,0,0,0,0|0,0,2]=3 865 B9R1.21 BrCc1ccc(s1)C#N 1P0080JJ [0,1,0,0,0,0|1,1,1]=4 866 B9R1.21 BrCc1ccn(n1)CC 1P01FIOI [0,1,0,0,0,0|3,0,0]=4 867 B9R1.21 C#Cc1ccc(o1)C#N 1P0293CB [0,1,0,0,0,0|1,0,2]=4 868 B9R1.21 CCc1[nH]cc(n1)CN 1P01EIFT [0,1,0,0,0,0|3,0,0]=4 869 B9R1.21 CCc1[nH]cc(n1)CN 1P01EIKX [0,1,0,0,0,0|3,0,0]=4 870 B9R1.21 CCc1[nH]nc(n1)CO 1P01E9OP [0,1,0,0,0,0|3,0,0]=4 871 B9R1.21 CCc1c[nH]c(n1)CO 1P01B5R0 [0,1,0,0,0,0|2,0,0]=3 872 B9R1.21 CCc1ccc([nH]1)C#N 1P00J32Y [0,1,0,0,0,0|2,0,1]=4 873 B9R1.21 CCc1ccc([nH]1)C=O 1P00J30R [0,1,0,0,0,0|1,0,2]=4 874 B9R1.21 CCc1ccc([nH]1)CN 1P02819F [0,1,0,0,0,0|2,0,0]=3 875 B9R1.21 CCc1ccc(o1)C#N 1P005260 [0,1,0,0,0,0|1,0,1]=3 876 B9R1.21 CCc1ccc(o1)C=O 1P002MKX [0,1,0,0,0,0|0,0,2]=3 877 B9R1.21 CCc1ccc(o1)CN 1P0286NP [0,1,0,0,0,0|1,0,0]=2 878 B9R1.21 CCc1ccc(o1)CS 1P01EJ7Q [0,1,0,0,0,0|0,1,0]=2 879 B9R1.21 CCc1ccc(s1)C#C 1P01DRYR [0,1,0,0,0,0|1,1,1]=4 880 B9R1.21 CCc1ccc(s1)C=O 1P003N6R [0,1,0,0,0,0|0,1,2]=4 881 B9R1.21 CCc1ccc(s1)CN 1P019NWP [0,1,0,0,0,0|1,1,0]=3 882 B9R1.21 CCc1ccc(s1)CO 1P01DW6M [0,1,0,0,0,0|0,1,0]=2 883 B9R1.21 CCc1cnc(o1)C=O 1P021U5E [0,1,0,0,0,0|1,0,2]=4 884 B9R1.21 CCc1cnc(o1)CCl 1P019SM9 [0,1,0,0,0,0|2,0,0]=3 885 B9R1.21 CCc1cnc(o1)CN 1P01AD9X [0,1,0,0,0,0|2,0,0]=3 886 B9R1.21 CCc1cnc(o1)CN 1P028GZ1 [0,1,0,0,0,0|2,0,0]=3 887 B9R1.21 CCc1cnc(o1)CO 1P021U5F [0,1,0,0,0,0|1,0,0]=2 888 B9R1.21 CCc1cnc(s1)CCl 1P0281NH [0,1,0,0,0,0|2,1,0]=4 889 B9R1.21 CCc1cnc(s1)CN 1P019SV1 [0,1,0,0,0,0|2,1,0]=4 890 B9R1.21 CCc1cnc(s1)CO 1P01A4OL [0,1,0,0,0,0|1,1,0]=3 891 B9R1.21 CCc1csc(n1)CN 1P00J1U6 [0,1,0,0,0,0|3,0,0]=4 892 B9R1.21 CCc1csc(n1)CN 1P00J3NV [0,1,0,0,0,0|3,0,0]=4 893 B9R1.21 CCc1ncc(o1)C#C 1P027V7E [0,1,0,0,0,0|2,0,1]=4 894 B9R1.21 CCc1ncc(o1)CCl 1P01C7K2 [0,1,0,0,0,0|2,0,0]=3 895 B9R1.21 CCc1ncc(s1)CCl 1P021ZA6 [0,1,0,0,0,0|2,1,0]=4 896 B9R1.21 CCc1ncc(s1)CN 1P009A16 [0,1,0,0,0,0|2,1,0]=4 897 B9R1.21 CCc1ncc(s1)CO 1P01A5EZ [0,1,0,0,0,0|1,1,0]=3 898 B9R1.21 CCc1nnc(o1)CBr 1P01EM8Y [0,1,0,0,0,0|3,0,0]=4 899 B9R1.21 CCc1nnc(o1)CCl 1P00C7AW [0,1,0,0,0,0|3,0,0]=4 900 B9R1.21 CCc1nnc(o1)CO 1P028377 [0,1,0,0,0,0|2,0,0]=3 901 B9R1.21 CCc1nnc(s1)CO 1P01BV6W [0,1,0,0,0,0|2,1,0]=4 902 B9R1.21 CCc1noc(c1)CO 1P001F52 [0,1,0,0,0,0|3,0,0]=4 903 B9R1.21 CCc1noc(n1)CO 1P00J1U2 [0,1,0,0,0,0|3,0,0]=4 904 B9R1.21 CCc1nsc(n1)CO 1P028FWF [0,1,0,0,0,0|3,0,0]=4 905 B9R1.21 CCc1occ(n1)CN 1P01C1RE [0,1,0,0,0,0|3,0,0]=4 906 B9R1.21 CCc1occ(n1)CN 1P027YE4 [0,1,0,0,0,0|3,0,0]=4 907 B9R1.21 CCc1onc(c1)CO 1P00ENE6 [0,1,0,0,0,0|3,0,0]=4 908 B9R1.21 CCc1onc(n1)CO 1P00GU6W [0,1,0,0,0,0|3,0,0]=4 909 B9R1.21 CCc1scc(n1)CBr 1P028IO7 [0,1,0,0,0,0|3,0,0]=4 910 B9R1.21 CCc1scc(n1)CCl 1P00C8YF [0,1,0,0,0,0|3,0,0]=4 911 B9R1.21 CCc1scc(n1)CCl 1P00J28N [0,1,0,0,0,0|3,0,0]=4 912 B9R1.21 CCc1scc(n1)CN 1P00J1U9 [0,1,0,0,0,0|3,0,0]=4 913 B9R1.21 CCc1scc(n1)CN 1P01FJX7 [0,1,0,0,0,0|3,0,0]=4 914 B9R1.21 CCc1scc(n1)CO 1P00H62C [0,1,0,0,0,0|2,0,0]=3 915 B9R1.21 CCc1scc(n1)CO 1P00J2C6 [0,1,0,0,0,0|2,0,0]=3 916 B9R1.21 CNc1scc(n1)CN 1P01AH9M [0,1,0,0,0,0|3,0,0]=4 917 B9R1.21 CNc1scc(n1)CO 1P01BOOK [0,1,0,0,0,0|2,0,0]=3 918 B9R1.21 COc1ccc(o1)C=O 1P00BHX3 [0,1,0,0,0,0|0,0,2]=3 919 B9R1.21 COc1ccc(s1)C=O 1P00D2LP [0,1,0,0,0,0|0,1,2]=4 920 B9R1.21 COc1ccc(s1)OC 1P00EBIO [0,1,0,0,0,0|2,1,0]=4 921 B9R1.21 COc1cnc(o1)CN 1P027X0X [0,1,0,0,0,0|2,0,0]=3 922 B9R1.21 COc1ncc(o1)CO 1P027X9W [0,1,0,0,0,0|1,0,0]=2 923 B9R1.21 COc1ncc(s1)CN 1P00JDKU [0,1,0,0,0,0|2,1,0]=4 924 B9R1.21 COc1noc(c1)CO 1P00CMKT [0,1,0,0,0,0|3,0,0]=4 925 B9R1.21 COc1nsc(c1)CO 1P01C4B5 [0,1,0,0,0,0|3,0,0]=4 926 B9R1.21 CSc1ccc(o1)C=O 1P01C2OB [0,1,0,0,0,0|0,0,2]=3 927 B9R1.21 CSc1ccc(s1)C#N 1P00216D [0,1,0,0,0,0|1,1,1]=4 928 B9R1.21 CSc1ccc(s1)C=O 1P006VF3 [0,1,0,0,0,0|0,1,2]=4 929 B9R1.21 CSc1ncc(s1)CN 1P028E7E [0,1,0,0,0,0|2,1,0]=4 930 B9R1.21 CSc1ncc(s1)CO 1P024VC9 [0,1,0,0,0,0|1,1,0]=3 931 B9R1.21 ClCc1ccc(o1)C#N 1P028VCI [0,1,0,0,0,0|1,0,1]=3 932 B9R1.21 ClCc1ccc(o1)C=O 1P001TFT [0,1,0,0,0,0|0,0,2]=3 933 B9R1.21 ClCc1ccn(n1)CC 1P00HEDS [0,1,0,0,0,0|3,0,0]=4 934 B9R1.21 ClCc1ccn(n1)CC 1P00J35R [0,1,0,0,0,0|3,0,0]=4 935 B9R1.21 ClCc1nnc(o1)CCl 1P00DCKL [0,1,0,0,0,0|3,0,0]=4 936 B9R1.21 N#Cc1ccc(o1)C#N 1P003GEM [0,1,0,0,0,0|1,0,2]=4 937 B9R1.21 N#Cc1ccn(n1)CO 1P01AM9D [0,1,0,0,0,0|2,0,1]=4 938 B9R1.21 NCc1[nH]cc(n1)CO 1P028AE9 [0,1,0,0,0,0|2,0,0]=3 939 B9R1.21 NCc1ccc(o1)C#N 1P00BD2H [0,1,0,0,0,0|1,0,1]=3 940 B9R1.21 NCc1ccc(o1)CN 1P00C3N4 [0,1,0,0,0,0|1,0,0]=2 941 B9R1.21 NCc1ccc(o1)CO 1P0049CN [0,1,0,0,0,0|0,0,0]=1 942 B9R1.21 NCc1ccc(o1)SC 1P01FJWE [0,1,0,0,0,0|1,0,0]=2 943 B9R1.21 NCc1ccc(s1)C#N 1P007DLP [0,1,0,0,0,0|1,1,1]=4 944 B9R1.21 NCc1ccc(s1)SC 1P01FJX5 [0,1,0,0,0,0|1,1,0]=3 945 B9R1.21 NCc1ccn(c1)CC 1P01BE0F [0,1,0,0,0,0|3,0,0]=4 946 B9R1.21 NCc1ccn(n1)CC 1P00JENK [0,1,0,0,0,0|3,0,0]=4 947 B9R1.21 NCc1ncc(o1)CO 1P027VQU [0,1,0,0,0,0|1,0,0]=2 948 B9R1.21 NCc1nnc([nH]1)CO 1P01BVDL [0,1,0,0,0,0|3,0,0]=4 949 B9R1.21 NCc1nnc(s1)CO 1P0288Z0 [0,1,0,0,0,0|2,1,0]=4 950 B9R1.21 NCc1scc(n1)CO 1P01ADFW [0,1,0,0,0,0|2,0,0]=3 951 B9R1.21 O=Cc1ccc(o1)C#C 1P00JWVI [0,1,0,0,0,0|0,0,3]=4 952 B9R1.21 O=Cc1ccc(o1)C#N 1P00C649 [0,1,0,0,0,0|0,0,3]=4 953 B9R1.21 O=Cc1ccc(o1)C=O 1P003R5T [0,1,0,0,0,0|0,0,3]=4 954 B9R1.21 OCc1[nH]nc(c1)CO 1P001IDR [0,1,0,0,0,0|3,0,0]=4 955 B9R1.21 OCc1ccc([nH]1)C=O 1P006I9A [0,1,0,0,0,0|1,0,1]=3 956 B9R1.21 OCc1ccc([nH]1)CO 1P01E0D0 [0,1,0,0,0,0|1,0,0]=2 957 B9R1.21 OCc1ccc(o1)C#N 1P003X9U [0,1,0,0,0,0|0,0,1]=2 958 B9R1.21 OCc1ccc(o1)C=O 1P0034R0 [0,1,0,0,0,0|0,0,1]=2 959 B9R1.21 OCc1ccc(o1)CO 1P002HAG [0,1,0,0,0,0|0,0,0]=1 960 B9R1.21 OCc1ccc(o1)SC 1P00IKUG [0,1,0,0,0,0|0,0,0]=1 961 B9R1.21 OCc1ccc(s1)C#N 1P00I01H [0,1,0,0,0,0|0,1,1]=3 962 B9R1.21 OCc1ccc(s1)SC 1P01BGMF [0,1,0,0,0,0|0,1,0]=2 963 B9R1.21 OCc1ccn(n1)CC 1P00H9S1 [0,1,0,0,0,0|2,0,0]=3 964 B9R1.21 OCc1cnn(c1)CC 1P00GW8Y [0,1,0,0,0,0|3,0,0]=4 965 B9R1.21 OCc1cnn(n1)CC 1P01ANOE [0,1,0,0,0,0|3,0,0]=4 966 B9R1.21 OCc1csc(c1)C#N 1P01K19K [0,1,0,0,0,0|2,0,1]=4 967 B9R1.21 OCc1csc(n1)C#N 1P028CWT [0,1,0,0,0,0|2,0,1]=4 968 B9R1.21 OCc1csc(n1)C=O 1P00E75Q [0,1,0,0,0,0|2,0,1]=4 969 B9R1.21 OCc1ncn(c1)CC 1P00C3YV [0,1,0,0,0,0|3,0,0]=4 970 B9R1.21 OCc1ncn(n1)CC 1P0281DM [0,1,0,0,0,0|3,0,0]=4 971 B9R1.21 OCc1occ(c1)CO 1P002YZK [0,1,0,0,0,0|2,0,0]=3 972 B9R1.21 OCc1onc(c1)CCl 1P01RXDI [0,1,0,0,0,0|3,0,0]=4 973 B9R1.21 OCc1scc(c1)C#N 1P00G957 [0,1,0,0,0,0|2,0,1]=4 974 B9R1.21 OCc1scc(n1)CCl 1P027UBT [0,1,0,0,0,0|2,0,0]=3 975 B9R1.21 OCc1scc(n1)CO 1P01BHH8 [0,1,0,0,0,0|2,0,0]=3 976 B9R1.21 SCc1ccn(n1)CC 1P02903Z [0,1,0,0,0,0|2,1,0]=4 977 B9R1.22 BrCc1nc(oc1C)C 1P01ALQ0 [0,1,0,0,0,0|3,0,0]=4 978 B9R1.22 BrCc1nc(sc1C)C 1P028UXC [0,1,0,0,0,0|3,0,0]=4 979 B9R1.22 BrCc1nn(cc1Br)C 1P01EM93 [0,1,0,0,0,0|3,0,0]=4 980 B9R1.22 BrCc1nn(cc1C)C 1P028WAG [0,1,0,0,0,0|3,0,0]=4 981 B9R1.22 BrCc1nn(cc1Cl)C 1P01AUXF [0,1,0,0,0,0|3,0,0]=4 982 B9R1.22 BrCc1oc(=O)oc1C 1P00IDLD [0,1,0,0,0,0|3,0,0]=4 983 B9R1.22 BrCc1sc(cc1Br)Br 1P0290A4 [0,1,0,0,0,0|2,1,0]=4 984 B9R1.22 BrCc1sc(nc1Br)C 1P00I0FT [0,1,0,0,0,0|2,1,0]=4 985 B9R1.22 Br\C=C\1/OC(=O)C=C1Br 1P002PNM [0,1,0,0,0,0|2,0,1]=4 986 B9R1.22 CCc1nc([nH]c1C)C 1P028CR9 [0,1,0,0,0,0|3,0,0]=4 987 B9R1.22 CCc1nn(cc1Br)C 1P00ILCV [0,1,0,0,0,0|3,0,0]=4 988 B9R1.22 CCc1nn(cc1I)C 1P01KW02 [0,1,0,0,0,0|3,0,0]=4 989 B9R1.22 CCc1nn(cc1N)C 1P01A4TT [0,1,0,0,0,0|3,0,0]=4 990 B9R1.22 CCc1nn(cc1N)C 1P01B85U [0,1,0,0,0,0|3,0,0]=4 991 B9R1.22 CCc1nn(cc1N)C 1P02939T [0,1,0,0,0,0|3,0,0]=4 992 B9R1.22 CCn1nc(cc1Br)C 1P01BTQP [0,1,0,0,0,0|3,0,0]=4 993 B9R1.22 CCn1nc(cc1C)C 1P00250V [0,1,0,0,0,0|3,0,0]=4 994 B9R1.22 CCn1nc(cc1Cl)C 1P01BFRP [0,1,0,0,0,0|3,0,0]=4 995 B9R1.22 CCn1nc(cc1N)C 1P00C0TR [0,1,0,0,0,0|3,0,0]=4 996 B9R1.22 Cc1cc(nn1CO)C 1P003J53 [0,1,0,0,0,0|2,0,0]=3 997 B9R1.22 ClCc1cc(sc1C)C 1P019Y3B [0,1,0,0,0,0|3,0,0]=4 998 B9R1.22 ClCc1nc(oc1C)C 1P008OXV [0,1,0,0,0,0|3,0,0]=4 999 B9R1.22 ClCc1nc(sc1C)C 1P00HWX2 [0,1,0,0,0,0|3,0,0]=4 1000 B9R1.22 ClCc1nn(cc1Br)C 1P00GW18 [0,1,0,0,0,0|3,0,0]=4 1001 B9R1.22 ClCc1nn(cc1C)C 1P01EM7Z [0,1,0,0,0,0|3,0,0]=4 1002 B9R1.22 ClCc1nn(cc1Cl)C 1P01AP5U [0,1,0,0,0,0|3,0,0]=4 1003 B9R1.22 ClCc1nn(cc1I)C 1P028UM1 [0,1,0,0,0,0|3,0,0]=4 1004 B9R1.22 ClCc1oc(=O)oc1C 1P0034GT [0,1,0,0,0,0|3,0,0]=4 1005 B9R1.22 ClCc1oc(nc1C)C 1P00493Z [0,1,0,0,0,0|2,0,0]=3 1006 B9R1.22 ClCc1sc(cc1Br)Br 1P027W8H [0,1,0,0,0,0|2,1,0]=4 1007 B9R1.22 ClCc1sc(cc1Br)Cl 1P0285CD [0,1,0,0,0,0|2,1,0]=4 1008 B9R1.22 ClCc1sc(cc1Cl)Cl 1P028VK6 [0,1,0,0,0,0|2,1,0]=4 1009 B9R1.22 ClCc1sc(nc1C)C 1P00J22D [0,1,0,0,0,0|2,1,0]=4 1010 B9R1.22 ClCc1sc(nc1C)C 1P00J3OL [0,1,0,0,0,0|2,1,0]=4 1011 B9R1.22 Cn1cc(nc1CCl)C 1P028PN8 [0,1,0,0,0,0|3,0,0]=4 1012 B9R1.22 Cn1cc(nc1CO)Br 1P01OWSG [0,1,0,0,0,0|3,0,0]=4 1013 B9R1.22 Cn1nc(cc1CO)C 1P00EA53 [0,1,0,0,0,0|3,0,0]=4 1014 B9R1.22 Cn1nc(nc1CO)C 1P021N2Z [0,1,0,0,0,0|3,0,0]=4 1015 B9R1.22 ICc1oc(=O)oc1C 1P005J5E [0,1,0,0,0,0|3,0,0]=4 1016 B9R1.22 N#Cc1sc(cc1Br)C 1P01C5T4 [0,1,0,0,0,0|1,1,1]=4 1017 B9R1.22 NCc1cc(oc1C)C 1P0031B2 [0,1,0,0,0,0|3,0,0]=4 1018 B9R1.22 NCc1cc(oc1C)C 1P01AISE [0,1,0,0,0,0|3,0,0]=4 1019 B9R1.22 NCc1cc(sc1C)C 1P018X4R [0,1,0,0,0,0|3,0,0]=4 1020 B9R1.22 NCc1nc([nH]c1C)C 1P01EJZ2 [0,1,0,0,0,0|3,0,0]=4 1021 B9R1.22 NCc1nc(sc1C)C 1P01A3EN [0,1,0,0,0,0|3,0,0]=4 1022 B9R1.22 NCc1nn(cc1Br)C 1P006F83 [0,1,0,0,0,0|3,0,0]=4 1023 B9R1.22 NCc1nn(cc1C)C 1P01EIJO [0,1,0,0,0,0|3,0,0]=4 1024 B9R1.22 NCc1nn(cc1I)C 1P01C1Z4 [0,1,0,0,0,0|3,0,0]=4 1025 B9R1.22 NCc1nn(cc1S)C 1P028D45 [0,1,0,0,0,0|3,0,0]=4 1026 B9R1.22 NCc1oc(=O)oc1C 1P01FK6M [0,1,0,0,0,0|3,0,0]=4 1027 B9R1.22 NCc1oc(nc1C)C 1P01BAHZ [0,1,0,0,0,0|2,0,0]=3 1028 B9R1.22 NCc1oc(nc1C)C 1P01C515 [0,1,0,0,0,0|2,0,0]=3 1029 B9R1.22 NCc1sc(cc1Br)Br 1P028414 [0,1,0,0,0,0|2,1,0]=4 1030 B9R1.22 NCc1sc(cc1Br)C 1P01C6XV [0,1,0,0,0,0|1,1,0]=3 1031 B9R1.22 NCc1sc(cc1Br)Cl 1P028AB5 [0,1,0,0,0,0|2,1,0]=4 1032 B9R1.22 NCc1sc(cc1C)C 1P028DZS [0,1,0,0,0,0|1,1,0]=3 1033 B9R1.22 NCc1sc(cc1Cl)Br 1P02806P [0,1,0,0,0,0|2,1,0]=4 1034 B9R1.22 NCc1sc(cc1Cl)Cl 1P0280KV [0,1,0,0,0,0|2,1,0]=4 1035 B9R1.22 NCc1sc(nc1C)C 1P00ACBJ [0,1,0,0,0,0|2,1,0]=4 1036 B9R1.22 NCc1sc(nc1C)C 1P00HF26 [0,1,0,0,0,0|2,1,0]=4 1037 B9R1.22 O=Cc1[nH]c(cc1C)C 1P00389A [0,1,0,0,0,0|1,0,2]=4 1038 B9R1.22 O=Cc1oc(cc1Cl)Cl 1P01R081 [0,1,0,0,0,0|1,0,2]=4 1039 B9R1.22 O=Cc1oc(nc1C)C 1P005M8R [0,1,0,0,0,0|1,0,2]=4 1040 B9R1.22 O=Cc1sc(cc1Br)C 1P00C17E [0,1,0,0,0,0|0,1,2]=4 1041 B9R1.22 O=Cc1sc(cc1C)C 1P004XBO [0,1,0,0,0,0|0,1,2]=4 1042 B9R1.22 OCc1cc(oc1C)C 1P0001ZY [0,1,0,0,0,0|2,0,0]=3 1043 B9R1.22 OCc1cc(sc1C)Br 1P028BTP [0,1,0,0,0,0|3,0,0]=4 1044 B9R1.22 OCc1cc(sc1C)C 1P019Y3A [0,1,0,0,0,0|2,0,0]=3 1045 B9R1.22 OCc1cc(sc1Cl)Cl 1P01AV65 [0,1,0,0,0,0|3,0,0]=4 1046 B9R1.22 OCc1cn(nc1Br)C 1P01C0MT [0,1,0,0,0,0|3,0,0]=4 1047 B9R1.22 OCc1cn(nc1C)C 1P008XYJ [0,1,0,0,0,0|3,0,0]=4 1048 B9R1.22 OCc1cn(nc1Cl)C 1P01AMAP [0,1,0,0,0,0|3,0,0]=4 1049 B9R1.22 OCc1cn(nc1I)C 1P01FI60 [0,1,0,0,0,0|3,0,0]=4 1050 B9R1.22 OCc1nc(oc1C)C 1P0068MQ [0,1,0,0,0,0|2,0,0]=3 1051 B9R1.22 OCc1nc(sc1Br)C 1P00964E [0,1,0,0,0,0|2,0,0]=3 1052 B9R1.22 OCc1nc(sc1C)Br 1P00HF73 [0,1,0,0,0,0|3,0,0]=4 1053 B9R1.22 OCc1nc(sc1C)C 1P00JI87 [0,1,0,0,0,0|2,0,0]=3 1054 B9R1.22 OCc1nn(cc1Br)C 1P006HIZ [0,1,0,0,0,0|2,0,0]=3 1055 B9R1.22 OCc1nn(cc1C)C 1P01BJF8 [0,1,0,0,0,0|2,0,0]=3 1056 B9R1.22 OCc1nn(cc1Cl)C 1P00JGMW [0,1,0,0,0,0|2,0,0]=3 1057 B9R1.22 OCc1nn(cc1F)C 1P01TSS7 [0,1,0,0,0,0|2,0,0]=3 1058 B9R1.22 OCc1nn(nc1Br)C 1P028IVI [0,1,0,0,0,0|3,0,0]=4 1059 B9R1.22 OCc1nn(nc1C)C 1P0292ZX [0,1,0,0,0,0|3,0,0]=4 1060 B9R1.22 OCc1oc(=O)oc1C 1P003906 [0,1,0,0,0,0|2,0,0]=3 1061 B9R1.22 OCc1oc(nc1C)Br 1P021U2A [0,1,0,0,0,0|2,0,0]=3 1062 B9R1.22 OCc1oc(nc1C)C 1P00C2BF [0,1,0,0,0,0|1,0,0]=2 1063 B9R1.22 OCc1sc(cc1Cl)Br 1P024R73 [0,1,0,0,0,0|1,1,0]=3 1064 B9R1.22 OCc1sc(nc1Br)Br 1P00AMFW [0,1,0,0,0,0|2,1,0]=4 1065 B9R1.22 OCc1sc(nc1C)Br 1P01EEJR [0,1,0,0,0,0|2,1,0]=4 1066 B9R1.22 OCc1sc(nc1C)C 1P00DEJM [0,1,0,0,0,0|1,1,0]=3 1067 B9R1.22 OCc1sc(nc1C)Cl 1P01CAM6 [0,1,0,0,0,0|2,1,0]=4 1068 B9R1.22 OCc1sc(nc1Cl)Cl 1P00ACOJ [0,1,0,0,0,0|2,1,0]=4 1069 B9R1.22 SCc1nn(cc1Br)C 1P02848Q [0,1,0,0,0,0|2,1,0]=4 1070 B9R1.23 BrCc1nc(c(s1)Br)C 1P01BUQG [0,1,0,0,0,0|3,0,0]=4 1071 B9R1.23 BrCc1sc(c(n1)C)C 1P00H9NO [0,1,0,0,0,0|2,1,0]=4 1072 B9R1.23 C#Cc1sc(c(c1)C)C 1P01BHH0 [0,1,0,0,0,0|1,1,1]=4 1073 B9R1.23 CCc1nc(c([nH]1)C)Br 1P02829C [0,1,0,0,0,0|3,0,0]=4 1074 B9R1.23 CCc1nc(c(s1)Br)C 1P004JVD [0,1,0,0,0,0|3,0,0]=4 1075 B9R1.23 CCc1nc(c(s1)N)C 1P01AG3Z [0,1,0,0,0,0|3,0,0]=4 1076 B9R1.23 CCc1nc(c(s1)N)C 1P01AG40 [0,1,0,0,0,0|3,0,0]=4 1077 B9R1.23 CCc1nn(c(c1)Cl)C 1P00BO56 [0,1,0,0,0,0|3,0,0]=4 1078 B9R1.23 CCc1nn(c(c1)N)C 1P01AJG9 [0,1,0,0,0,0|3,0,0]=4 1079 B9R1.23 CCc1sc(c(n1)C)C 1P003HNT [0,1,0,0,0,0|2,1,0]=4 1080 B9R1.23 CCn1cc(c(n1)C)Br 1P00DD4B [0,1,0,0,0,0|3,0,0]=4 1081 B9R1.23 CCn1cc(c(n1)C)Cl 1P00JDRH [0,1,0,0,0,0|3,0,0]=4 1082 B9R1.23 CCn1cc(c(n1)C)I 1P00HGWU [0,1,0,0,0,0|3,0,0]=4 1083 B9R1.23 CCn1cc(c(n1)C)N 1P000Q04 [0,1,0,0,0,0|3,0,0]=4 1084 B9R1.23 CCn1cc(c(n1)C)N 1P008XYH [0,1,0,0,0,0|3,0,0]=4 1085 B9R1.23 CCn1cc(c(n1)C)N 1P00IIZW [0,1,0,0,0,0|3,0,0]=4 1086 B9R1.23 ClCc1[nH]c(c(n1)C)C 1P00J35J [0,1,0,0,0,0|3,0,0]=4 1087 B9R1.23 ClCc1cc(c(s1)C)Br 1P028W64 [0,1,0,0,0,0|1,1,0]=3 1088 B9R1.23 ClCc1cc(c(s1)Cl)Br 1P028US5 [0,1,0,0,0,0|2,1,0]=4 1089 B9R1.23 ClCc1nn(c(c1)C)C 1P0022IY [0,1,0,0,0,0|3,0,0]=4 1090 B9R1.23 ClCc1nn(c(c1)Cl)C 1P00DY4N [0,1,0,0,0,0|3,0,0]=4 1091 B9R1.23 ClCc1oc(c(n1)C)C 1P019WQX [0,1,0,0,0,0|2,0,0]=3 1092 B9R1.23 ClCc1sc(c(c1)Cl)Cl 1P01QG9D [0,1,0,0,0,0|2,1,0]=4 1093 B9R1.23 ClCc1sc(c(n1)C)C 1P00FDQP [0,1,0,0,0,0|2,1,0]=4 1094 B9R1.23 ClCc1sc(c(n1)C)C 1P00J3VW [0,1,0,0,0,0|2,1,0]=4 1095 B9R1.23 Cn1cc(nc1S)CO 1P007ZKQ [0,1,0,0,0,0|3,0,0]=4 1096 B9R1.23 Cn1nc(cc1Br)CN 1P028MC8 [0,1,0,0,0,0|3,0,0]=4 1097 B9R1.23 Cn1nc(cc1Cl)CN 1P028B3E [0,1,0,0,0,0|3,0,0]=4 1098 B9R1.23 Cn1nc(cc1Cl)CO 1P028J5M [0,1,0,0,0,0|2,0,0]=3 1099 B9R1.23 Cn1nc(cc1N)CO 1P01E6ZM [0,1,0,0,0,0|2,0,0]=3 1100 B9R1.23 N#Cc1cc(c([nH]1)C)Br 1P00J34F [0,1,0,0,0,0|2,0,1]=4 1101 B9R1.23 N#Cc1cc(c(o1)Br)C 1P01DWN5 [0,1,0,0,0,0|2,0,1]=4 1102 B9R1.23 N#Cc1cc(c(s1)C)Br 1P027XLJ [0,1,0,0,0,0|1,1,1]=4 1103 B9R1.23 NCc1[nH]c(c(n1)C)C 1P019ZLD [0,1,0,0,0,0|3,0,0]=4 1104 B9R1.23 NCc1cc(c(s1)Cl)Br 1P02858B [0,1,0,0,0,0|2,1,0]=4 1105 B9R1.23 NCc1nc(c(s1)Br)C 1P01APJB [0,1,0,0,0,0|3,0,0]=4 1106 B9R1.23 NCc1nc(c(s1)Br)C 1P027XG0 [0,1,0,0,0,0|3,0,0]=4 1107 B9R1.23 NCc1nn(c(c1)C)C 1P0033XA [0,1,0,0,0,0|3,0,0]=4 1108 B9R1.23 NCc1oc(c(c1)Br)Br 1P024SG1 [0,1,0,0,0,0|2,0,0]=3 1109 B9R1.23 NCc1oc(c(c1)C)C 1P027UWZ [0,1,0,0,0,0|1,0,0]=2 1110 B9R1.23 NCc1sc(c(c1)C)C 1P01AL6C [0,1,0,0,0,0|1,1,0]=3 1111 B9R1.23 NCc1sc(c(c1)Cl)Cl 1P028CM3 [0,1,0,0,0,0|2,1,0]=4 1112 B9R1.23 NCc1sc(c(n1)C)C 1P00J1U7 [0,1,0,0,0,0|2,1,0]=4 1113 B9R1.23 NCc1sc(c(n1)C)C 1P00J3MK [0,1,0,0,0,0|2,1,0]=4 1114 B9R1.23 O=Cc1cc(c(o1)Br)C 1P01DWEO [0,1,0,0,0,0|1,0,2]=4 1115 B9R1.23 O=Cc1cc(c(o1)C)Br 1P002IUV [0,1,0,0,0,0|0,0,2]=3 1116 B9R1.23 O=Cc1cc(c(s1)C)Br 1P00C2CJ [0,1,0,0,0,0|0,1,2]=4 1117 B9R1.23 O=Cc1oc(c(c1)Br)Br 1P00BCDO [0,1,0,0,0,0|1,0,2]=4 1118 B9R1.23 O=Cc1oc(c(c1)C)C 1P003KYZ [0,1,0,0,0,0|0,0,2]=3 1119 B9R1.23 O=Cc1oc(c(n1)C)C 1P01A02Y [0,1,0,0,0,0|1,0,2]=4 1120 B9R1.23 O=Cc1sc(c(c1)C)C 1P003KZ3 [0,1,0,0,0,0|0,1,2]=4 1121 B9R1.23 OCc1[nH]c(c(n1)C)C 1P000GZ7 [0,1,0,0,0,0|2,0,0]=3 1122 B9R1.23 OCc1[nH]c(c(n1)Cl)Cl 1P00DXQY [0,1,0,0,0,0|3,0,0]=4 1123 B9R1.23 OCc1cc(c(s1)C)Br 1P01SZO8 [0,1,0,0,0,0|0,1,0]=2 1124 B9R1.23 OCc1cn(c(n1)C)C 1P01BOI1 [0,1,0,0,0,0|2,0,0]=3 1125 B9R1.23 OCc1nn(c(c1)C)C 1P007HYG [0,1,0,0,0,0|2,0,0]=3 1126 B9R1.23 OCc1nn(c(n1)Br)C 1P00I1PI [0,1,0,0,0,0|3,0,0]=4 1127 B9R1.23 OCc1nn(c(n1)C)C 1P021MOB [0,1,0,0,0,0|3,0,0]=4 1128 B9R1.23 OCc1oc(c(n1)C)C 1P019ZJV [0,1,0,0,0,0|1,0,0]=2 1129 B9R1.23 OCc1sc(c(c1)Br)Br 1P01EMS2 [0,1,0,0,0,0|1,1,0]=3 1130 B9R1.23 OCc1sc(c(n1)C)C 1P003WI2 [0,1,0,0,0,0|1,1,0]=3 1131 B9R1.23 OCc1sc(c(n1)C)C 1P00J2HV [0,1,0,0,0,0|1,1,0]=3 1132 B9R1.23 OCc1sc(c(n1)Cl)Cl 1P028V9F [0,1,0,0,0,0|2,1,0]=4 1133 B9R1.35 CC(=O)c1ccc(o1)Br 1P00C003 [0,1,0,0,0,0|1,0,2]=4 1134 B9R1.35 CC(c1cc(cs1)Br)O 1P01DWTQ [0,1,0,0,0,0|3,0,0]=4 1135 B9R1.35 CC(c1ccc(o1)Br)N 1P01JV5M [0,1,0,0,0,0|2,0,0]=3 1136 B9R1.35 CC(c1ccc(s1)Br)N 1P009J6Y [0,1,0,0,0,0|2,1,0]=4 1137 B9R1.35 CC(c1ccc(s1)Br)O 1P01AG3E [0,1,0,0,0,0|1,1,0]=3 1138 B9R1.35 CC(c1ccc(s1)Cl)N 1P003DI6 [0,1,0,0,0,0|2,1,0]=4 1139 B9R1.35 CC(c1ccc(s1)Cl)N 1P024UO8 [0,1,0,0,0,0|2,1,0]=4 1140 B9R1.35 CC(c1ccc(s1)Cl)O 1P019NHE [0,1,0,0,0,0|1,1,0]=3 1141 B9R1.35 CC(c1cnc(o1)Br)C 1P01DW7O [0,1,0,0,0,0|3,0,0]=4 1142 B9R1.35 CC(c1cnc(o1)Cl)C 1P01DTG4 [0,1,0,0,0,0|3,0,0]=4 1143 B9R1.35 CC(c1n[nH]c(c1)C)O 1P01C22H [0,1,0,0,0,0|3,0,0]=4 1144 B9R1.35 CC(c1ncc([nH]1)C)C 1P00CLEL [0,1,0,0,0,0|3,0,0]=4 1145 B9R1.35 CC(c1ncc(o1)Br)C 1P01DWGL [0,1,0,0,0,0|3,0,0]=4 1146 B9R1.35 CC(c1ncc(s1)Br)O 1P0293HW [0,1,0,0,0,0|2,1,0]=4 1147 B9R1.35 C[C@@H](c1cc(cs1)Br)O 1P00HTSP [0,1,0,0,0,0|3,0,0]=4 1148 B9R1.35 C[C@@H](c1ccc(o1)Br)N 1P01JV5J [0,1,0,0,0,0|2,0,0]=3 1149 B9R1.35 C[C@@H](c1ccc(s1)Br)N 1P01AGNO [0,1,0,0,0,0|2,1,0]=4 1150 B9R1.35 C[C@@H](c1ccc(s1)Br)O 1P019RPI [0,1,0,0,0,0|1,1,0]=3 1151 B9R1.35 C[C@@H](c1ccc(s1)Cl)N 1P01A4VB [0,1,0,0,0,0|2,1,0]=4 1152 B9R1.35 C[C@@H](c1ccc(s1)Cl)O 1P019RPE [0,1,0,0,0,0|1,1,0]=3 1153 B9R1.35 C[C@@H](c1n[nH]c(n1)C)O 1P028QPV [0,1,0,0,0,0|3,0,0]=4 1154 B9R1.35 C[C@H](c1cc(cs1)Br)O 1P01DWCO [0,1,0,0,0,0|3,0,0]=4 1155 B9R1.35 C[C@H](c1ccc(o1)Br)N 1P01JV5K [0,1,0,0,0,0|2,0,0]=3 1156 B9R1.35 C[C@H](c1ccc(s1)Br)N 1P019RPJ [0,1,0,0,0,0|2,1,0]=4 1157 B9R1.35 C[C@H](c1ccc(s1)Br)N 1P01B1NB [0,1,0,0,0,0|2,1,0]=4 1158 B9R1.35 C[C@H](c1ccc(s1)Br)O 1P019RPH [0,1,0,0,0,0|1,1,0]=3 1159 B9R1.35 C[C@H](c1ccc(s1)Cl)N 1P01A4VC [0,1,0,0,0,0|2,1,0]=4 1160 B9R1.35 C[C@H](c1n[nH]c(n1)C)O 1P028NQX [0,1,0,0,0,0|3,0,0]=4 1161 B9R1.35 Cc1c[nH]c(n1)C(=O)O 1P00674D [0,1,0,0,0,0|2,0,1]=4 1162 B9R1.35 Cc1c[nH]c(n1)C(=O)O 1P01C2ZS [0,1,0,0,0,0|2,0,1]=4 1163 B9R1.35 Cc1cc([nH]c1)C(=O)O 1P003842 [0,1,0,0,0,0|2,0,1]=4 1164 B9R1.35 Cc1cc(sc1)C(=O)O 1P006XY7 [0,1,0,0,0,0|2,0,1]=4 1165 B9R1.35 Cc1ccc([nH]1)C(=O)O 1P00380V [0,1,0,0,0,0|1,0,1]=3 1166 B9R1.35 Cc1ccc(o1)C(=N)N 1P00G545 [0,1,0,0,0,0|1,0,1]=3 1167 B9R1.35 Cc1ccc(o1)C(=N)N 1P00J2XA [0,1,0,0,0,0|1,0,1]=3 1168 B9R1.35 Cc1ccc(o1)C(=O)C 1P000J0G [0,1,0,0,0,0|0,0,2]=3 1169 B9R1.35 Cc1ccc(o1)C(=O)Cl 1P001CFN [0,1,0,0,0,0|0,0,2]=3 1170 B9R1.35 Cc1ccc(o1)C(=O)N 1P003WAO [0,1,0,0,0,0|0,0,2]=3 1171 B9R1.35 Cc1ccc(o1)C(=O)O 1P002FW0 [0,1,0,0,0,0|0,0,1]=2 1172 B9R1.35 Cc1ccc(o1)C(=S)N 1P01AJ0O [0,1,0,0,0,0|0,1,1]=3 1173 B9R1.35 Cc1ccc(o1)C(N)C 1P00EECV [0,1,0,0,0,0|1,0,0]=2 1174 B9R1.35 Cc1ccc(o1)[C@@H](O)C 1P019RPC [0,1,0,0,0,0|0,0,0]=1 1175 B9R1.35 Cc1ccc(o1)[C@H](N)C 1P01KA8N [0,1,0,0,0,0|1,0,0]=2 1176 B9R1.35 Cc1ccc(s1)C(=O)C 1P0012U7 [0,1,0,0,0,0|0,1,2]=4 1177 B9R1.35 Cc1ccc(s1)C(=O)Cl 1P00C8N4 [0,1,0,0,0,0|0,1,2]=4 1178 B9R1.35 Cc1ccc(s1)C(=O)N 1P00F1EP [0,1,0,0,0,0|0,1,2]=4 1179 B9R1.35 Cc1ccc(s1)C(=O)O 1P002FXV [0,1,0,0,0,0|0,1,1]=3 1180 B9R1.35 Cc1ccc(s1)C(N)C 1P019XL6 [0,1,0,0,0,0|1,1,0]=3 1181 B9R1.35 Cc1ccc(s1)C(O)C 1P01DWTR [0,1,0,0,0,0|0,1,0]=2 1182 B9R1.35 Cc1ccc(s1)C(S)C 1P01AH7L [0,1,0,0,0,0|0,2,0]=3 1183 B9R1.35 Cc1ccn(n1)C(C)C 1P00AUGZ [0,1,0,0,0,0|3,0,0]=4 1184 B9R1.35 Cc1cnc(o1)C(N)C 1P01A5ST [0,1,0,0,0,0|2,0,0]=3 1185 B9R1.35 Cc1cnc(s1)C(=O)O 1P00EAXU [0,1,0,0,0,0|1,1,1]=4 1186 B9R1.35 Cc1cnc(s1)C(N)C 1P00JDJV [0,1,0,0,0,0|2,1,0]=4 1187 B9R1.35 Cc1cnc(s1)C(O)C 1P01Q8BZ [0,1,0,0,0,0|1,1,0]=3 1188 B9R1.35 Cc1csc(n1)C(=O)O 1P001DHN [0,1,0,0,0,0|2,0,1]=4 1189 B9R1.35 Cc1csc(n1)C(C)C 1P001PGO [0,1,0,0,0,0|3,0,0]=4 1190 B9R1.35 Cc1csc(n1)C(N)C 1P00DJQG [0,1,0,0,0,0|3,0,0]=4 1191 B9R1.35 Cc1csc(n1)C(N)C 1P00HTAJ [0,1,0,0,0,0|3,0,0]=4 1192 B9R1.35 Cc1csc(n1)C(O)C 1P01ADNS [0,1,0,0,0,0|2,0,0]=3 1193 B9R1.35 Cc1n[nH]c(n1)C(O)C 1P01A242 [0,1,0,0,0,0|3,0,0]=4 1194 B9R1.35 Cc1nc(c[nH]1)C(=O)O 1P00J21I [0,1,0,0,0,0|2,0,1]=4 1195 B9R1.35 Cc1nc(co1)C(=O)O 1P002MBJ [0,1,0,0,0,0|2,0,1]=4 1196 B9R1.35 Cc1nc(cs1)C(=O)O 1P00BYXQ [0,1,0,0,0,0|2,0,1]=4 1197 B9R1.35 Cc1nc(cs1)C(=O)O 1P01BF4Y [0,1,0,0,0,0|2,0,1]=4 1198 B9R1.35 Cc1ncc([nH]1)C(=O)O 1P001DSK [0,1,0,0,0,0|2,0,1]=4 1199 B9R1.35 Cc1ncc(o1)C(=O)O 1P0015U6 [0,1,0,0,0,0|1,0,1]=3 1200 B9R1.35 Cc1ncc(s1)C(=O)O 1P0033UI [0,1,0,0,0,0|1,1,1]=4 1201 B9R1.35 Cc1ncc(s1)C(N)C 1P01ANV1 [0,1,0,0,0,0|2,1,0]=4 1202 B9R1.35 Cc1nnc(o1)C(Cl)C 1P0198RA [0,1,0,0,0,0|3,0,0]=4 1203 B9R1.35 Cc1nnc(o1)C(O)C 1P01AHJU [0,1,0,0,0,0|2,0,0]=3 1204 B9R1.35 Cc1nnc(o1)[C@@H](O)C 1P01AIAP [0,1,0,0,0,0|2,0,0]=3 1205 B9R1.35 Cc1nnc(o1)[C@H](O)C 1P01AIAQ [0,1,0,0,0,0|2,0,0]=3 1206 B9R1.35 Cc1noc(c1)C(O)C 1P00670P [0,1,0,0,0,0|3,0,0]=4 1207 B9R1.35 Cc1noc(n1)C(O)C 1P009933 [0,1,0,0,0,0|3,0,0]=4 1208 B9R1.35 Cc1occ(c1)C(=O)O 1P00BGK8 [0,1,0,0,0,0|2,0,1]=4 1209 B9R1.35 Cc1occ(n1)C(O)C 1P01B9QO [0,1,0,0,0,0|2,0,0]=3 1210 B9R1.35 Cc1onc(c1)C(O)C 1P01BGYH [0,1,0,0,0,0|3,0,0]=4 1211 B9R1.35 Cc1onc(c1)[C@@H](O)C 1P009R93 [0,1,0,0,0,0|3,0,0]=4 1212 B9R1.35 Cc1onc(c1)[C@H](O)C 1P01BHCQ [0,1,0,0,0,0|3,0,0]=4 1213 B9R1.35 Cc1onc(n1)C(O)C 1P01BDG6 [0,1,0,0,0,0|3,0,0]=4 1214 B9R1.35 Cc1scc(c1)B(O)O 1P00IHXA [0,1,0,0,0,0|3,0,0]=4 1215 B9R1.35 Cc1scc(c1)C(=O)O 1P002FSF [0,1,0,0,0,0|2,0,1]=4 1216 B9R1.35 Cc1scc(c1)C(N)C 1P01B2ZM [0,1,0,0,0,0|3,0,0]=4 1217 B9R1.35 Cc1scc(n1)C(C)C 1P00CZGP [0,1,0,0,0,0|3,0,0]=4 1218 B9R1.35 Cc1scc(n1)C(N)C 1P0097KR [0,1,0,0,0,0|3,0,0]=4 1219 B9R1.35 Cc1scc(n1)C(N)C 1P00BZE7 [0,1,0,0,0,0|3,0,0]=4 1220 B9R1.35 Cc1scc(n1)[C@@H](N)C 1P01A3LH [0,1,0,0,0,0|3,0,0]=4 1221 B9R1.35 Cc1scc(n1)[C@@H](O)C 1P01A28L [0,1,0,0,0,0|2,0,0]=3 1222 B9R1.35 Cc1scc(n1)[C@H](O)C 1P01A2WQ [0,1,0,0,0,0|2,0,0]=3 1223 B9R1.35 ClC(=O)c1ccc(o1)Br 1P00BG2D [0,1,0,0,0,0|1,0,2]=4 1224 B9R1.35 Clc1ccc(o1)C(=O)Cl 1P006XVP [0,1,0,0,0,0|1,0,2]=4 1225 B9R1.35 Clc1scc(c1)C(O)C 1P00127A [0,1,0,0,0,0|3,0,0]=4 1226 B9R1.35 Cn1ccc(c1)C(=O)O 1P00CJ7K [0,1,0,0,0,0|2,0,1]=4 1227 B9R1.35 Cn1ccc(c1)C(N)C 1P00BUBB [0,1,0,0,0,0|3,0,0]=4 1228 B9R1.35 Cn1ccc(n1)C(=O)O 1P002QO3 [0,1,0,0,0,0|2,0,1]=4 1229 B9R1.35 Cn1ccc(n1)C(C)C 1P01AJ6M [0,1,0,0,0,0|3,0,0]=4 1230 B9R1.35 Cn1ccc(n1)C(C)C 1P01EIRN [0,1,0,0,0,0|3,0,0]=4 1231 B9R1.35 Cn1ccc(n1)C(N)C 1P00IGZF [0,1,0,0,0,0|3,0,0]=4 1232 B9R1.35 Cn1ccc(n1)C(O)C 1P01B2AM [0,1,0,0,0,0|2,0,0]=3 1233 B9R1.35 Cn1ccc(n1)[C@@H](N)C 1P02894J [0,1,0,0,0,0|3,0,0]=4 1234 B9R1.35 Cn1ccc(n1)[C@@H](O)C 1P01C5QP [0,1,0,0,0,0|2,0,0]=3 1235 B9R1.35 Cn1ccc(n1)[C@H](N)C 1P028ELI [0,1,0,0,0,0|3,0,0]=4 1236 B9R1.35 Cn1ccc(n1)[C@H](O)C 1P01C62R [0,1,0,0,0,0|2,0,0]=3 1237 B9R1.35 Cn1ncc(c1)C(O)C 1P00BYYM [0,1,0,0,0,0|3,0,0]=4 1238 B9R1.35 Cn1ncc(c1)[C@@H](O)C 1P01AIUW [0,1,0,0,0,0|3,0,0]=4 1239 B9R1.35 Cn1ncc(c1)[C@H](O)C 1P01AIUX [0,1,0,0,0,0|3,0,0]=4 1240 B9R1.35 FC(c1ccc(s1)Br)F 1P00IHM5 [0,1,0,0,0,0|2,1,0]=4 1241 B9R1.35 FC(c1ncc(o1)Br)F 1P0292YF [0,1,0,0,0,0|3,0,0]=4 1242 B9R1.35 NC(=O)c1ccc(o1)Br 1P00EEFR [0,1,0,0,0,0|1,0,2]=4 1243 B9R1.35 Nc1ncc(o1)C(=O)O 1P004DTR [0,1,0,0,0,0|2,0,1]=4 1244 B9R1.35 OB(c1ccc(o1)C)O 1P003CEX [0,1,0,0,0,0|1,0,0]=2 1245 B9R1.35 OB(c1ccc(s1)Br)O 1P00AOZQ [0,1,0,0,0,0|2,1,0]=4 1246 B9R1.35 OB(c1ccc(s1)C)O 1P0034RM [0,1,0,0,0,0|1,1,0]=3 1247 B9R1.35 OB(c1ccc(s1)Cl)O 1P003N5S [0,1,0,0,0,0|2,1,0]=4 1248 B9R1.35 OB(c1ccn(n1)C)O 1P0032RZ [0,1,0,0,0,0|3,0,0]=4 1249 B9R1.35 OB(c1scc(c1)C)O 1P001TPT [0,1,0,0,0,0|3,0,0]=4 1250 B9R1.35 OC(=O)c1c[nH]c(c1)C 1P000145 [0,1,0,0,0,0|2,0,1]=4 1251 B9R1.35 OC(=O)c1ccc([nH]1)Br 1P00BIR8 [0,1,0,0,0,0|2,0,1]=4 1252 B9R1.35 OC(=O)c1ccc([nH]1)Cl 1P01AEQB [0,1,0,0,0,0|2,0,1]=4 1253 B9R1.35 OC(=O)c1ccc(o1)Br 1P003N0Q [0,1,0,0,0,0|1,0,1]=3 1254 B9R1.35 OC(=O)c1ccc(o1)Cl 1P00EC71 [0,1,0,0,0,0|1,0,1]=3 1255 B9R1.35 OC(=O)c1ccc(o1)F 1P01A4YN [0,1,0,0,0,0|1,0,1]=3 1256 B9R1.35 OC(=O)c1ccc(o1)I 1P0076RJ [0,1,0,0,0,0|1,0,1]=3 1257 B9R1.35 OC(=O)c1ccc(s1)Br 1P003N1V [0,1,0,0,0,0|1,1,1]=4 1258 B9R1.35 OC(=O)c1ccc(s1)Cl 1P0034Q1 [0,1,0,0,0,0|1,1,1]=4 1259 B9R1.35 OC(=O)c1ccc(s1)F 1P0037P2 [0,1,0,0,0,0|1,1,1]=4 1260 B9R1.35 OC(=O)c1ccc(s1)I 1P00EKUJ [0,1,0,0,0,0|1,1,1]=4 1261 B9R1.35 OC(=O)c1cnc(o1)Br 1P0013LO [0,1,0,0,0,0|2,0,1]=4 1262 B9R1.35 OC(=O)c1cnc(o1)Cl 1P001OGC [0,1,0,0,0,0|2,0,1]=4 1263 B9R1.35 OC(=O)c1csc(n1)C 1P00J3X4 [0,1,0,0,0,0|2,0,1]=4 1264 B9R1.35 Oc1ncc(o1)C(=O)O 1P00HWCT [0,1,0,0,0,0|2,0,1]=4 1265 B9R1.35 [O-]C(=O)c1ncc(o1)C 1P00231P [0,1,0,0,0,0|1,0,2]=4 1266 B9R1.35 [O-]C(=O)c1ncc(o1)C 1P01BD53 [0,1,0,0,0,0|1,0,2]=4 1267 B9R1.35 [O-]S(=O)c1ccc(o1)Cl 1P01FL34 [0,1,0,0,0,0|2,0,1]=4 1268 B9R1.35 [O-][N+](=O)c1ccc(o1)Br 1P003H6Z [0,1,0,0,0,0|2,0,1]=4 1269 B9R1.35 [O-][N+](=O)c1ccc(s1)C 1P0073HF [0,1,0,0,0,0|1,1,1]=4 1270 B9R1.132 Cn1c(C=O)ccc1C 1P000J0S [0,1,0,0,0,0|1,0,2]=4 1271 B9R1.132 Cn1c(CN)ccc1C 1P019XJI [0,1,0,0,0,0|2,0,0]=3 1272 B9R1.132 Cn1c(CO)cnc1Br 1P00GSJF [0,1,0,0,0,0|3,0,0]=4 1273 B9R1.132 Cn1c(CO)cnc1Cl 1P01B2CZ [0,1,0,0,0,0|3,0,0]=4 1274 B9R1.132 Cn1c(CO)cnc1N 1P004784 [0,1,0,0,0,0|3,0,0]=4 1275 B9R1.132 Cn1c(CO)ncc1Cl 1P00IUI9 [0,1,0,0,0,0|3,0,0]=4 1276 B9R1.132 Cn1c(CO)ncc1Cl 1P01A8EN [0,1,0,0,0,0|3,0,0]=4 1277 B9R1.132 Cn1c(CO)nnc1C 1P00J2PB [0,1,0,0,0,0|3,0,0]=4 1278 B9R1.132 Cn1c(C[NH3+])ccc1C 1P0075Q9 [0,1,0,0,0,0|2,0,0]=3 1279 B9R1.132 Cn1c(ccc1C)C#N 1P00E9WO [0,1,0,0,0,0|2,0,1]=4 1280 B9R1.132 OCc1[nH]nc(c1Br)C 1P024HHH [0,1,0,0,0,0|3,0,0]=4 1281 B9R1.132 OCc1cnn(c1Br)C 1P009JI4 [0,1,0,0,0,0|3,0,0]=4 1282 B9R1.132 OCc1cnn(c1C)C 1P008SFD [0,1,0,0,0,0|3,0,0]=4 1283 B9R1.132 OCc1cnn(c1Cl)C 1P01DI0T [0,1,0,0,0,0|3,0,0]=4 1284 B9R1.132 OCc1cnn(c1F)C 1P020JV7 [0,1,0,0,0,0|3,0,0]=4 1285 B9R1.132 OCc1csc(c1C)C 1P000IM7 [0,1,0,0,0,0|2,0,0]=3 1286 B9R1.132 OCc1csc(c1N)C 1P02868J [0,1,0,0,0,0|2,0,0]=3 1287 B9R1.132 OCc1ncn(c1C)C 1P00F7U9 [0,1,0,0,0,0|3,0,0]=4 1288 B9R1.132 OCc1noc(c1Br)C 1P028MGB [0,1,0,0,0,0|3,0,0]=4 1289 B9R1.132 OCc1noc(c1I)C 1P00G9MY [0,1,0,0,0,0|3,0,0]=4 1290 B9R1.132 OCc1onc(c1Br)C 1P01Z4V4 [0,1,0,0,0,0|3,0,0]=4 1291 B9R1.132 OCc1onc(c1I)C 1P01R2RR [0,1,0,0,0,0|3,0,0]=4 1292 B9R1.132 OCc1scc(c1Cl)Cl 1P0293FX [0,1,0,0,0,0|3,0,0]=4 1293 B7R0.2 CC(=C)CC(CO)N 1P01BIQ2 [0,0,1,0,0,0|2,0,1]=4 1294 B7R0.2 CC(=O)OC(=C)C#N 1P003155 [0,0,1,0,0,0|2,0,1]=4 1295 B7R0.2 CCC(=O)OC(=O)C 1P000VFI [0,0,1,0,0,0|3,0,0]=4 1296 B7R0.2 OCC(=C)CN(C)C 1P01EN4E [0,0,1,0,0,0|2,0,1]=4 1297 B7R0.2 OCC(=O)OC(C)C 1P003RLM [0,0,1,0,0,0|1,0,2]=4 1298 B7R0.3 BrCCOC(=O)C=C 1P003H8J [0,0,1,0,0,0|2,0,1]=4 1299 B7R0.3 CCC(\C=C\C=O)O 1P001SLJ [0,0,1,0,0,0|2,0,1]=4 1300 B7R0.3 CCCOC(=O)C=C 1P003TSC [0,0,1,0,0,0|2,0,1]=4 1301 B7R0.3 ClCCOC(=O)C=C 1P00711K [0,0,1,0,0,0|2,0,1]=4 1302 B7R0.3 OCCNC(=O)C=C 1P003SQA [0,0,1,0,0,0|2,0,1]=4 1303 B7R0.3 OCCOC(=O)C=C 1P003O5F [0,0,1,0,0,0|1,0,1]=3 1304 B7R0.4 CCCC=CC(=O)C 1P003JZ4 [0,0,1,0,0,0|1,0,2]=4 1305 B7R0.4 CCC\C=C\C(=O)O 1P00HTPU [0,0,1,0,0,0|2,0,1]=4 1306 B7R0.4 CCOC=CC(=O)O 1P003AAM [0,0,1,0,0,0|3,0,0]=4 1307 B7R0.4 CCO\C=C\C(=O)O 1P001ERC [0,0,1,0,0,0|3,0,0]=4 1308 B7R0.4 CC\C=C/CC(=O)O 1P0025TN [0,0,1,0,0,0|2,0,1]=4 1309 B7R0.4 CC\C=C\CC(=O)O 1P001Q45 [0,0,1,0,0,0|2,0,1]=4 1310 B7R0.4 C\C=C/C=C/C(=O)O 1P0030BP [0,0,1,0,0,0|2,0,1]=4 1311 B7R0.4 C\C=C\C=C\C(=O)C 1P003GC2 [0,0,1,0,0,0|1,0,2]=4 1312 B7R0.4 C\C=C\C=C\C(=O)O 1P003UVD [0,0,1,0,0,0|2,0,1]=4 1313 B7R0.4 OC(=O)CC=CCS 1P019UIY [0,0,1,0,0,0|1,1,1]=4 1314 B7R0.4 OCC=CCC(C)C 1P0288PH [0,0,1,0,0,0|1,0,2]=4 1315 B9R2.39 NC1CC2OC1C=C2 1P01EMCP [0,0,0,1,0,0|1,0,2]=4 1316 B9R2.39 OC1CC2CC1C=C2 1P000VFJ [0,0,0,1,0,0|1,0,2]=4 1317 B9R1.1 BrCc1ccc(cc1)Br 1P0034EX [0,0,0,0,0,1|3,0,0]=4 1318 B9R1.1 BrCc1ccc(cc1)C 1P003M85 [0,0,0,0,0,1|2,0,0]=3 1319 B9R1.1 BrCc1ccc(cc1)Cl 1P0036O0 [0,0,0,0,0,1|3,0,0]=4 1320 B9R1.1 BrCc1ccc(cc1)F 1P0034I2 [0,0,0,0,0,1|3,0,0]=4 1321 B9R1.1 BrCc1ccc(cc1)I 1P001S36 [0,0,0,0,0,1|3,0,0]=4 1322 B9R1.1 BrCc1ccc(cc1)N 1P00ED7U [0,0,0,0,0,1|3,0,0]=4 1323 B9R1.1 BrCc1ccc(cn1)Br 1P001L4P [0,0,0,0,0,1|3,0,0]=4 1324 B9R1.1 BrCc1ccc(cn1)Br 1P00ARJA [0,0,0,0,0,1|3,0,0]=4 1325 B9R1.1 BrCc1ccc(cn1)C 1P01KL0I [0,0,0,0,0,1|2,0,0]=3 1326 B9R1.1 BrCc1ccc(cn1)Cl 1P001VGA [0,0,0,0,0,1|3,0,0]=4 1327 B9R1.1 BrCc1ccc(cn1)Cl 1P00EIVB [0,0,0,0,0,1|3,0,0]=4 1328 B9R1.1 BrCc1ccc(cn1)F 1P01BE31 [0,0,0,0,0,1|3,0,0]=4 1329 B9R1.1 BrCc1ccc(nc1)Br 1P0006NA [0,0,0,0,0,1|3,0,0]=4 1330 B9R1.1 BrCc1ccc(nc1)C 1P003AJ4 [0,0,0,0,0,1|2,0,0]=3 1331 B9R1.1 BrCc1ccc(nc1)Cl 1P0024PV [0,0,0,0,0,1|3,0,0]=4 1332 B9R1.1 BrCc1ccc(nc1)F 1P008U70 [0,0,0,0,0,1|3,0,0]=4 1333 B9R1.1 BrCc1ccc(nc1)F 1P01FTR4 [0,0,0,0,0,1|3,0,0]=4 1334 B9R1.1 BrCc1ccc(nc1)N 1P01B29T [0,0,0,0,0,1|3,0,0]=4 1335 B9R1.1 BrCc1ccc(nn1)Br 1P002FOS [0,0,0,0,0,1|3,0,0]=4 1336 B9R1.1 BrCc1cnc(nc1)C 1P00G7HX [0,0,0,0,0,1|3,0,0]=4 1337 B9R1.1 BrCc1ncc(cn1)C 1P01EDQB [0,0,0,0,0,1|3,0,0]=4 1338 B9R1.1 BrCc1ncc(cn1)C 1P01XCCN [0,0,0,0,0,1|3,0,0]=4 1339 B9R1.1 C#Cc1ccc(cc1)C 1P003LTB [0,0,0,0,0,1|2,0,1]=4 1340 B9R1.1 C#Cc1ccc(cn1)C 1P0030IR [0,0,0,0,0,1|2,0,1]=4 1341 B9R1.1 C#Cc1ccc(nc1)C 1P0092A5 [0,0,0,0,0,1|2,0,1]=4 1342 B9R1.1 C#Cc1ccc(nc1)C 1P00ARIA [0,0,0,0,0,1|2,0,1]=4 1343 B9R1.1 C=Cc1ccc(cc1)C 1P003M9D [0,0,0,0,0,1|2,0,1]=4 1344 B9R1.1 C=Cc1ccc(cn1)C 1P00BYO4 [0,0,0,0,0,1|2,0,1]=4 1345 B9R1.1 C=Cc1ccc(cn1)C 1P0201WE [0,0,0,0,0,1|2,0,1]=4 1346 B9R1.1 C=Cc1ccc(nc1)C 1P001CDY [0,0,0,0,0,1|2,0,1]=4 1347 B9R1.1 CC1=CCC(=CC1)CO 1P01DU33 [0,0,0,0,0,1|1,0,1]=3 1348 B9R1.1 CC[n+]1ccc(cc1)C 1P0036F3 [0,0,0,0,0,1|3,0,0]=4 1349 B9R1.1 CCc1ccc(cc1)Br 1P001QP9 [0,0,0,0,0,1|3,0,0]=4 1350 B9R1.1 CCc1ccc(cc1)C 1P003LT6 [0,0,0,0,0,1|2,0,0]=3 1351 B9R1.1 CCc1ccc(cc1)Cl 1P00337G [0,0,0,0,0,1|3,0,0]=4 1352 B9R1.1 CCc1ccc(cc1)F 1P003ERU [0,0,0,0,0,1|3,0,0]=4 1353 B9R1.1 CCc1ccc(cc1)I 1P003ERV [0,0,0,0,0,1|3,0,0]=4 1354 B9R1.1 CCc1ccc(cc1)N 1P003LSI [0,0,0,0,0,1|3,0,0]=4 1355 B9R1.1 CCc1ccc(cc1)O 1P000KDC [0,0,0,0,0,1|3,0,0]=4 1356 B9R1.1 CCc1ccc(cc1)S 1P003LT5 [0,0,0,0,0,1|3,0,0]=4 1357 B9R1.1 CCc1ccc(cn1)Br 1P00C7IF [0,0,0,0,0,1|3,0,0]=4 1358 B9R1.1 CCc1ccc(cn1)C 1P00235T [0,0,0,0,0,1|2,0,0]=3 1359 B9R1.1 CCc1ccc(cn1)Cl 1P000HRE [0,0,0,0,0,1|3,0,0]=4 1360 B9R1.1 CCc1ccc(cn1)N 1P000TDY [0,0,0,0,0,1|3,0,0]=4 1361 B9R1.1 CCc1ccc(nc1)Br 1P002BZE [0,0,0,0,0,1|3,0,0]=4 1362 B9R1.1 CCc1ccc(nc1)C 1P003N6Q [0,0,0,0,0,1|2,0,0]=3 1363 B9R1.1 CCc1ccc(nc1)Cl 1P00GVTP [0,0,0,0,0,1|3,0,0]=4 1364 B9R1.1 CCc1ccc(nc1)F 1P024ZTD [0,0,0,0,0,1|3,0,0]=4 1365 B9R1.1 CCc1ccc(nc1)N 1P002BZF [0,0,0,0,0,1|3,0,0]=4 1366 B9R1.1 CCc1ccc(nc1)O 1P00D8JL [0,0,0,0,0,1|3,0,0]=4 1367 B9R1.1 CCc1ccc(nn1)N 1P004Q81 [0,0,0,0,0,1|3,0,0]=4 1368 B9R1.1 CCc1ccc(nn1)O 1P00E29X [0,0,0,0,0,1|3,0,0]=4 1369 B9R1.1 CCc1cnc(cn1)C 1P0036KU [0,0,0,0,0,1|3,0,0]=4 1370 B9R1.1 CNc1ccc(cc1)C 1P0034AC [0,0,0,0,0,1|3,0,0]=4 1371 B9R1.1 CNc1ccc(cn1)C 1P00DKLV [0,0,0,0,0,1|3,0,0]=4 1372 B9R1.1 CNc1ccc(nc1)C 1P00943F [0,0,0,0,0,1|3,0,0]=4 1373 B9R1.1 CNc1ccc(nn1)C 1P01AIY7 [0,0,0,0,0,1|3,0,0]=4 1374 B9R1.1 COc1ccc(cc1)C 1P003M7W [0,0,0,0,0,1|3,0,0]=4 1375 B9R1.1 COc1ccc(cn1)C 1P0070MX [0,0,0,0,0,1|3,0,0]=4 1376 B9R1.1 COc1ccc(nc1)C 1P00IABL [0,0,0,0,0,1|3,0,0]=4 1377 B9R1.1 COc1ccc(nn1)C 1P00254Z [0,0,0,0,0,1|3,0,0]=4 1378 B9R1.1 CSc1ccc(cc1)C 1P003CD6 [0,0,0,0,0,1|3,0,0]=4 1379 B9R1.1 Cc1ccc(nn1)C#C 1P005S7Y [0,0,0,0,0,1|2,0,1]=4 1380 B9R1.1 Cc1ccc(nn1)C#N 1P00DICU [0,0,0,0,0,1|2,0,1]=4 1381 B9R1.1 Cc1ccc(nn1)C=O 1P00ECEM [0,0,0,0,0,1|1,0,2]=4 1382 B9R1.1 Cc1ccc(nn1)CBr 1P028FUE [0,0,0,0,0,1|2,0,0]=3 1383 B9R1.1 Cc1ccc(nn1)CCl 1P01DWLI [0,0,0,0,0,1|2,0,0]=3 1384 B9R1.1 Cc1ccc(nn1)CO 1P004R3E [0,0,0,0,0,1|1,0,0]=2 1385 B9R1.1 Cc1ccc(nn1)CO 1P0282HR [0,0,0,0,0,1|1,0,0]=2 1386 B9R1.1 Cc1ccc(nn1)NN 1P00BZZG [0,0,0,0,0,1|3,0,0]=4 1387 B9R1.1 Cc1cnc(cn1)CCl 1P000YCK [0,0,0,0,0,1|3,0,0]=4 1388 B9R1.1 Cc1cnc(cn1)CN 1P0011FS [0,0,0,0,0,1|3,0,0]=4 1389 B9R1.1 Cc1cnc(cn1)CO 1P00EITF [0,0,0,0,0,1|2,0,0]=3 1390 B9R1.1 ClCc1ccc(cc1)Br 1P003LG2 [0,0,0,0,0,1|3,0,0]=4 1391 B9R1.1 ClCc1ccc(cc1)C 1P007GSP [0,0,0,0,0,1|2,0,0]=3 1392 B9R1.1 ClCc1ccc(cc1)Cl 1P0039GP [0,0,0,0,0,1|3,0,0]=4 1393 B9R1.1 ClCc1ccc(cc1)F 1P003LVW [0,0,0,0,0,1|3,0,0]=4 1394 B9R1.1 ClCc1ccc(cc1)I 1P00DCW1 [0,0,0,0,0,1|3,0,0]=4 1395 B9R1.1 ClCc1ccc(cn1)Br 1P001YS4 [0,0,0,0,0,1|3,0,0]=4 1396 B9R1.1 ClCc1ccc(cn1)Br 1P0037DA [0,0,0,0,0,1|3,0,0]=4 1397 B9R1.1 ClCc1ccc(cn1)C 1P0033Q3 [0,0,0,0,0,1|2,0,0]=3 1398 B9R1.1 ClCc1ccc(cn1)Cl 1P0005WP [0,0,0,0,0,1|3,0,0]=4 1399 B9R1.1 ClCc1ccc(cn1)Cl 1P000MGX [0,0,0,0,0,1|3,0,0]=4 1400 B9R1.1 ClCc1ccc(cn1)F 1P003AH4 [0,0,0,0,0,1|3,0,0]=4 1401 B9R1.1 ClCc1ccc(cn1)F 1P01AD1L [0,0,0,0,0,1|3,0,0]=4 1402 B9R1.1 ClCc1ccc(nc1)Br 1P001YD1 [0,0,0,0,0,1|3,0,0]=4 1403 B9R1.1 ClCc1ccc(nc1)Br 1P0094YF [0,0,0,0,0,1|3,0,0]=4 1404 B9R1.1 ClCc1ccc(nc1)C 1P008YVG [0,0,0,0,0,1|2,0,0]=3 1405 B9R1.1 ClCc1ccc(nc1)Cl 1P00378I [0,0,0,0,0,1|3,0,0]=4 1406 B9R1.1 ClCc1ccc(nc1)F 1P00CMTI [0,0,0,0,0,1|3,0,0]=4 1407 B9R1.1 ClCc1ccc(nc1)N 1P01EIRM [0,0,0,0,0,1|3,0,0]=4 1408 B9R1.1 ClCc1ccc(nn1)Cl 1P008Y68 [0,0,0,0,0,1|3,0,0]=4 1409 B9R1.1 ClCc1ccc(nn1)Cl 1P00ABEF [0,0,0,0,0,1|3,0,0]=4 1410 B9R1.1 ClCc1cnc(nc1)C 1P009X03 [0,0,0,0,0,1|3,0,0]=4 1411 B9R1.1 ClCc1ncc(cn1)C 1P0019M9 [0,0,0,0,0,1|3,0,0]=4 1412 B9R1.1 FCc1ccc(cc1)Br 1P00DL86 [0,0,0,0,0,1|3,0,0]=4 1413 B9R1.1 FCc1ccc(nc1)F 1P028KGL [0,0,0,0,0,1|3,0,0]=4 1414 B9R1.1 ICc1ccc(cc1)Br 1P01B2VK [0,0,0,0,0,1|3,0,0]=4 1415 B9R1.1 ICc1ccc(cc1)Cl 1P01C1RU [0,0,0,0,0,1|3,0,0]=4 1416 B9R1.1 N#Cc1ccc(=O)oc1 1P000ZQS [0,0,0,0,0,1|2,0,1]=4 1417 B9R1.1 N#Cc1ccc(cc1)C 1P007GS8 [0,0,0,0,0,1|2,0,1]=4 1418 B9R1.1 N#Cc1ccc(cn1)C 1P001T2K [0,0,0,0,0,1|2,0,1]=4 1419 B9R1.1 N#Cc1ccc(nc1)C 1P00383W [0,0,0,0,0,1|2,0,1]=4 1420 B9R1.1 NCc1ccc(=O)[nH]c1 1P003MNG [0,0,0,0,0,1|3,0,0]=4 1421 B9R1.1 NCc1ccc(=O)[nH]n1 1P01ANME [0,0,0,0,0,1|3,0,0]=4 1422 B9R1.1 NCc1ccc(cc1)Br 1P002SK4 [0,0,0,0,0,1|3,0,0]=4 1423 B9R1.1 NCc1ccc(cc1)Br 1P0034EY [0,0,0,0,0,1|3,0,0]=4 1424 B9R1.1 NCc1ccc(cc1)C 1P007GSC [0,0,0,0,0,1|2,0,0]=3 1425 B9R1.1 NCc1ccc(cc1)Cl 1P0034GM [0,0,0,0,0,1|3,0,0]=4 1426 B9R1.1 NCc1ccc(cc1)Cl 1P00CMJJ [0,0,0,0,0,1|3,0,0]=4 1427 B9R1.1 NCc1ccc(cc1)F 1P001CDZ [0,0,0,0,0,1|3,0,0]=4 1428 B9R1.1 NCc1ccc(cc1)F 1P00FB8G [0,0,0,0,0,1|3,0,0]=4 1429 B9R1.1 NCc1ccc(cc1)I 1P003M1E [0,0,0,0,0,1|3,0,0]=4 1430 B9R1.1 NCc1ccc(cc1)I 1P003M1F [0,0,0,0,0,1|3,0,0]=4 1431 B9R1.1 NCc1ccc(cc1)N 1P003L7R [0,0,0,0,0,1|3,0,0]=4 1432 B9R1.1 NCc1ccc(cc1)N 1P00DE7Z [0,0,0,0,0,1|3,0,0]=4 1433 B9R1.1 NCc1ccc(cc1)O 1P0002CY [0,0,0,0,0,1|3,0,0]=4 1434 B9R1.1 NCc1ccc(cc1)O 1P0069EG [0,0,0,0,0,1|3,0,0]=4 1435 B9R1.1 NCc1ccc(cc1)O 1P00GSKB [0,0,0,0,0,1|3,0,0]=4 1436 B9R1.1 NCc1ccc(cc1)O 1P00IM7V [0,0,0,0,0,1|3,0,0]=4 1437 B9R1.1 NCc1ccc(cc1)S 1P01FKXD [0,0,0,0,0,1|3,0,0]=4 1438 B9R1.1 NCc1ccc(cn1)Br 1P000M47 [0,0,0,0,0,1|3,0,0]=4 1439 B9R1.1 NCc1ccc(cn1)Br 1P000NSJ [0,0,0,0,0,1|3,0,0]=4 1440 B9R1.1 NCc1ccc(cn1)Br 1P001ZTJ [0,0,0,0,0,1|3,0,0]=4 1441 B9R1.1 NCc1ccc(cn1)C 1P001W8Q [0,0,0,0,0,1|2,0,0]=3 1442 B9R1.1 NCc1ccc(cn1)C 1P00D9BM [0,0,0,0,0,1|2,0,0]=3 1443 B9R1.1 NCc1ccc(cn1)C 1P00J1OP [0,0,0,0,0,1|2,0,0]=3 1444 B9R1.1 NCc1ccc(cn1)Cl 1P000P3Q [0,0,0,0,0,1|3,0,0]=4 1445 B9R1.1 NCc1ccc(cn1)Cl 1P00FB1Q [0,0,0,0,0,1|3,0,0]=4 1446 B9R1.1 NCc1ccc(cn1)Cl 1P00GWHG [0,0,0,0,0,1|3,0,0]=4 1447 B9R1.1 NCc1ccc(cn1)F 1P003FFL [0,0,0,0,0,1|3,0,0]=4 1448 B9R1.1 NCc1ccc(cn1)I 1P027W72 [0,0,0,0,0,1|3,0,0]=4 1449 B9R1.1 NCc1ccc(cn1)N 1P0055YJ [0,0,0,0,0,1|3,0,0]=4 1450 B9R1.1 NCc1ccc(cn1)N 1P00IHOK [0,0,0,0,0,1|3,0,0]=4 1451 B9R1.1 NCc1ccc(cn1)O 1P000XNW [0,0,0,0,0,1|3,0,0]=4 1452 B9R1.1 NCc1ccc(cn1)O 1P028RPU [0,0,0,0,0,1|3,0,0]=4 1453 B9R1.1 NCc1ccc(nc1)Br 1P000NSI [0,0,0,0,0,1|3,0,0]=4 1454 B9R1.1 NCc1ccc(nc1)Br 1P007Q3R [0,0,0,0,0,1|3,0,0]=4 1455 B9R1.1 NCc1ccc(nc1)C 1P00EEYH [0,0,0,0,0,1|2,0,0]=3 1456 B9R1.1 NCc1ccc(nc1)C 1P00I8VC [0,0,0,0,0,1|2,0,0]=3 1457 B9R1.1 NCc1ccc(nc1)Cl 1P00ARA3 [0,0,0,0,0,1|3,0,0]=4 1458 B9R1.1 NCc1ccc(nc1)Cl 1P00IKCY [0,0,0,0,0,1|3,0,0]=4 1459 B9R1.1 NCc1ccc(nc1)F 1P002ARS [0,0,0,0,0,1|3,0,0]=4 1460 B9R1.1 NCc1ccc(nc1)I 1P027Y1N [0,0,0,0,0,1|3,0,0]=4 1461 B9R1.1 NCc1ccc(nc1)N 1P001PLB [0,0,0,0,0,1|3,0,0]=4 1462 B9R1.1 NCc1ccc(nc1)N 1P00BFS2 [0,0,0,0,0,1|3,0,0]=4 1463 B9R1.1 NCc1ccc(nc1)O 1P01AJNO [0,0,0,0,0,1|3,0,0]=4 1464 B9R1.1 NCc1ccc(nn1)C 1P00HZBB [0,0,0,0,0,1|2,0,0]=3 1465 B9R1.1 NCc1ccc(nn1)Cl 1P001I8T [0,0,0,0,0,1|3,0,0]=4 1466 B9R1.1 NCc1ccc(nn1)Cl 1P00GT8M [0,0,0,0,0,1|3,0,0]=4 1467 B9R1.1 NCc1cnc(nc1)C 1P009I20 [0,0,0,0,0,1|3,0,0]=4 1468 B9R1.1 NCc1cnc(nc1)C 1P01K1SW [0,0,0,0,0,1|3,0,0]=4 1469 B9R1.1 NCc1ncc(cn1)C 1P00H3KY [0,0,0,0,0,1|3,0,0]=4 1470 B9R1.1 NCc1ncc(nc1)C 1P01JUG0 [0,0,0,0,0,1|3,0,0]=4 1471 B9R1.1 NNc1ccc(cc1)C 1P0036LJ [0,0,0,0,0,1|3,0,0]=4 1472 B9R1.1 NNc1ccc(cc1)C 1P00DESK [0,0,0,0,0,1|3,0,0]=4 1473 B9R1.1 NNc1ccc(cn1)C 1P00DEJR [0,0,0,0,0,1|3,0,0]=4 1474 B9R1.1 NNc1ccc(cn1)C 1P00HVIX [0,0,0,0,0,1|3,0,0]=4 1475 B9R1.1 NNc1ccc(nc1)C 1P003UIV [0,0,0,0,0,1|3,0,0]=4 1476 B9R1.1 NNc1ccc(nc1)C 1P028DYO [0,0,0,0,0,1|3,0,0]=4 1477 B9R1.1 N[C@H]1CO[C@@H](C=C1)CO 1P023Q51 [0,0,0,0,0,1|1,0,2]=4 1478 B9R1.1 Nc1ccc(nn1)CCl 1P01BSLY [0,0,0,0,0,1|3,0,0]=4 1479 B9R1.1 Nc1ccc(nn1)CO 1P01BSN4 [0,0,0,0,0,1|2,0,0]=3 1480 B9R1.1 Nc1cnc(cn1)CO 1P01A06C [0,0,0,0,0,1|3,0,0]=4 1481 B9R1.1 O=Cc1ccc(cc1)C 1P003UHG [0,0,0,0,0,1|1,0,2]=4 1482 B9R1.1 O=Cc1ccc(cn1)C 1P0037VI [0,0,0,0,0,1|1,0,2]=4 1483 B9R1.1 O=Cc1ccc(nc1)C 1P003NRI [0,0,0,0,0,1|1,0,2]=4 1484 B9R1.1 OCC1=CCN(CC1)C 1P003EYN [0,0,0,0,0,1|2,0,1]=4 1485 B9R1.1 OCC1CCC(=CC1)C 1P00C92H [0,0,0,0,0,1|1,0,2]=4 1486 B9R1.1 OCc1cc[n+](cc1)C 1P00EJQG [0,0,0,0,0,1|2,0,0]=3 1487 B9R1.1 OCc1cc[n+](cc1)[O-] 1P003MHD [0,0,0,0,0,1|3,0,0]=4 1488 B9R1.1 OCc1ccc(=O)[nH]c1 1P007U3P [0,0,0,0,0,1|2,0,0]=3 1489 B9R1.1 OCc1ccc(cc1)Br 1P003LGD [0,0,0,0,0,1|2,0,0]=3 1490 B9R1.1 OCc1ccc(cc1)C 1P003M84 [0,0,0,0,0,1|1,0,0]=2 1491 B9R1.1 OCc1ccc(cc1)Cl 1P003LNJ [0,0,0,0,0,1|2,0,0]=3 1492 B9R1.1 OCc1ccc(cc1)F 1P003LVV [0,0,0,0,0,1|2,0,0]=3 1493 B9R1.1 OCc1ccc(cc1)I 1P0024MX [0,0,0,0,0,1|2,0,0]=3 1494 B9R1.1 OCc1ccc(cc1)N 1P00IBGW [0,0,0,0,0,1|2,0,0]=3 1495 B9R1.1 OCc1ccc(cc1)O 1P0034IT [0,0,0,0,0,1|2,0,0]=3 1496 B9R1.1 OCc1ccc(cc1)S 1P0037SK [0,0,0,0,0,1|2,0,0]=3 1497 B9R1.1 OCc1ccc(cn1)Br 1P0033TK [0,0,0,0,0,1|2,0,0]=3 1498 B9R1.1 OCc1ccc(cn1)C 1P002M2Y [0,0,0,0,0,1|1,0,0]=2 1499 B9R1.1 OCc1ccc(cn1)Cl 1P002KQQ [0,0,0,0,0,1|2,0,0]=3 1500 B9R1.1 OCc1ccc(cn1)F 1P005O1X [0,0,0,0,0,1|2,0,0]=3 1501 B9R1.1 OCc1ccc(cn1)N 1P003MTL [0,0,0,0,0,1|2,0,0]=3 1502 B9R1.1 OCc1ccc(cn1)O 1P003AD7 [0,0,0,0,0,1|2,0,0]=3 1503 B9R1.1 OCc1ccc(cn1)O 1P028BAO [0,0,0,0,0,1|2,0,0]=3 1504 B9R1.1 OCc1ccc(nc1)Br 1P0017JZ [0,0,0,0,0,1|2,0,0]=3 1505 B9R1.1 OCc1ccc(nc1)C 1P003N9G [0,0,0,0,0,1|1,0,0]=2 1506 B9R1.1 OCc1ccc(nc1)Cl 1P003HFN [0,0,0,0,0,1|2,0,0]=3 1507 B9R1.1 OCc1ccc(nc1)F 1P00778N [0,0,0,0,0,1|2,0,0]=3 1508 B9R1.1 OCc1ccc(nc1)N 1P008S78 [0,0,0,0,0,1|2,0,0]=3 1509 B9R1.1 OCc1ccc(nn1)Cl 1P0004AM [0,0,0,0,0,1|2,0,0]=3 1510 B9R1.1 OCc1ccc(nn1)Cl 1P01A7C2 [0,0,0,0,0,1|2,0,0]=3 1511 B9R1.1 OCc1ccc(nn1)O 1P01BGJB [0,0,0,0,0,1|2,0,0]=3 1512 B9R1.1 OCc1cnc(cn1)Br 1P00FGRP [0,0,0,0,0,1|3,0,0]=4 1513 B9R1.1 OCc1cnc(cn1)Cl 1P003HEP [0,0,0,0,0,1|3,0,0]=4 1514 B9R1.1 OCc1cnc(nc1)Br 1P01JSMM [0,0,0,0,0,1|3,0,0]=4 1515 B9R1.1 OCc1cnc(nc1)C 1P0033UT [0,0,0,0,0,1|2,0,0]=3 1516 B9R1.1 OCc1cnc(nc1)Cl 1P008Y6A [0,0,0,0,0,1|3,0,0]=4 1517 B9R1.1 OCc1cnc(nc1)N 1P0075NQ [0,0,0,0,0,1|3,0,0]=4 1518 B9R1.1 OCc1ncc(cn1)Br 1P0034NW [0,0,0,0,0,1|3,0,0]=4 1519 B9R1.1 OCc1ncc(cn1)C 1P00IGSM [0,0,0,0,0,1|2,0,0]=3 1520 B9R1.1 OCc1ncc(cn1)Cl 1P003N2J [0,0,0,0,0,1|3,0,0]=4 1521 B9R1.1 OCc1ncc(cn1)F 1P000JRN [0,0,0,0,0,1|3,0,0]=4 1522 B9R1.1 OCc1ncc(cn1)I 1P028DGG [0,0,0,0,0,1|3,0,0]=4 1523 B9R1.1 OCc1ncc(cn1)N 1P024WA6 [0,0,0,0,0,1|3,0,0]=4 1524 B9R1.1 ONc1ccc(cc1)C 1P00F3HV [0,0,0,0,0,1|2,0,0]=3 1525 B9R1.1 ONc1ccc(cc1)F 1P0076XK [0,0,0,0,0,1|3,0,0]=4 1526 B9R1.1 Oc1ccc(nn1)CCl 1P028PW7 [0,0,0,0,0,1|3,0,0]=4 1527 B9R1.1 SCc1ccc(cc1)Br 1P003LGE [0,0,0,0,0,1|2,1,0]=4 1528 B9R1.1 SCc1ccc(cc1)C 1P003M88 [0,0,0,0,0,1|1,1,0]=3 1529 B9R1.1 SCc1ccc(cc1)Cl 1P0034GJ [0,0,0,0,0,1|2,1,0]=4 1530 B9R1.1 SCc1ccc(cc1)F 1P001RI5 [0,0,0,0,0,1|2,1,0]=4 1531 B9R1.1 SCc1ccc(cc1)I 1P028LXK [0,0,0,0,0,1|2,1,0]=4 1532 B9R1.2 BrC1=CC=CC(=N1)CN 1P01FWU4 [0,0,0,0,0,1|3,0,0]=4 1533 B9R1.2 BrCc1cc[nH]c(=N)c1 1P00IEJC [0,0,0,0,0,1|3,0,0]=4 1534 B9R1.2 BrCc1cccc(c1)Br 1P003JKT [0,0,0,0,0,1|3,0,0]=4 1535 B9R1.2 BrCc1cccc(c1)C 1P003K7H [0,0,0,0,0,1|2,0,0]=3 1536 B9R1.2 BrCc1cccc(c1)Cl 1P003JR7 [0,0,0,0,0,1|3,0,0]=4 1537 B9R1.2 BrCc1cccc(c1)F 1P003469 [0,0,0,0,0,1|3,0,0]=4 1538 B9R1.2 BrCc1cccc(c1)I 1P003DJ8 [0,0,0,0,0,1|3,0,0]=4 1539 B9R1.2 BrCc1cccc(c1)O 1P005WI3 [0,0,0,0,0,1|3,0,0]=4 1540 B9R1.2 BrCc1cccc(n1)Br 1P005E9F [0,0,0,0,0,1|3,0,0]=4 1541 B9R1.2 BrCc1cccc(n1)Br 1P00D1BM [0,0,0,0,0,1|3,0,0]=4 1542 B9R1.2 BrCc1cccc(n1)C 1P003BJ3 [0,0,0,0,0,1|2,0,0]=3 1543 B9R1.2 BrCc1cccc(n1)C 1P00EDKW [0,0,0,0,0,1|2,0,0]=3 1544 B9R1.2 BrCc1cccc(n1)Cl 1P0039W2 [0,0,0,0,0,1|3,0,0]=4 1545 B9R1.2 BrCc1cccc(n1)F 1P0001PJ [0,0,0,0,0,1|3,0,0]=4 1546 B9R1.2 BrCc1cccc(n1)I 1P0285UW [0,0,0,0,0,1|3,0,0]=4 1547 B9R1.2 BrCc1cccc(n1)N 1P01BD5Y [0,0,0,0,0,1|3,0,0]=4 1548 B9R1.2 BrCc1ccnc(c1)Br 1P0036WE [0,0,0,0,0,1|3,0,0]=4 1549 B9R1.2 BrCc1ccnc(c1)Br 1P00D1BL [0,0,0,0,0,1|3,0,0]=4 1550 B9R1.2 BrCc1ccnc(c1)C 1P01EM94 [0,0,0,0,0,1|2,0,0]=3 1551 B9R1.2 BrCc1ccnc(c1)Cl 1P003KN7 [0,0,0,0,0,1|3,0,0]=4 1552 B9R1.2 BrCc1ccnc(c1)F 1P00EM9M [0,0,0,0,0,1|3,0,0]=4 1553 B9R1.2 BrCc1cncc(c1)Br 1P001DTK [0,0,0,0,0,1|3,0,0]=4 1554 B9R1.2 BrCc1cncc(c1)Br 1P01A763 [0,0,0,0,0,1|3,0,0]=4 1555 B9R1.2 BrCc1nccc(c1)Br 1P0096AI [0,0,0,0,0,1|3,0,0]=4 1556 B9R1.2 C#Cc1cccc(c1)C 1P005WI8 [0,0,0,0,0,1|2,0,1]=4 1557 B9R1.2 C#Cc1cccc(n1)C 1P0030IT [0,0,0,0,0,1|2,0,1]=4 1558 B9R1.2 C#Cc1ccnc(c1)C 1P0030IU [0,0,0,0,0,1|2,0,1]=4 1559 B9R1.2 C=Cc1cccc(c1)C 1P0000ON [0,0,0,0,0,1|2,0,1]=4 1560 B9R1.2 C=Cc1cccc(n1)C 1P007C8U [0,0,0,0,0,1|2,0,1]=4 1561 B9R1.2 CCC1CC=CC(=O)O1 1P020M7D [0,0,0,0,0,1|2,0,1]=4 1562 B9R1.2 CC[n+]1cccc(c1)C 1P00337W [0,0,0,0,0,1|3,0,0]=4 1563 B9R1.2 CCc1cc(Br)ccn1 1P001PG2 [0,0,0,0,0,1|3,0,0]=4 1564 B9R1.2 CCc1cc(Br)cnc1 1P009BLX [0,0,0,0,0,1|3,0,0]=4 1565 B9R1.2 CCc1cc(Cl)cnc1 1P01BUJN [0,0,0,0,0,1|3,0,0]=4 1566 B9R1.2 CCc1cc(N)ccn1 1P00DGSU [0,0,0,0,0,1|3,0,0]=4 1567 B9R1.2 CCc1cc(N)cnc1 1P0092A4 [0,0,0,0,0,1|3,0,0]=4 1568 B9R1.2 CCc1cc(O)cnc1 1P01IO5Q [0,0,0,0,0,1|3,0,0]=4 1569 B9R1.2 CCc1cc[nH]c(=O)c1 1P01HJV9 [0,0,0,0,0,1|3,0,0]=4 1570 B9R1.2 CCc1cccc(c1)C 1P00345O [0,0,0,0,0,1|2,0,0]=3 1571 B9R1.2 CCc1cccc(c1)Cl 1P00E960 [0,0,0,0,0,1|3,0,0]=4 1572 B9R1.2 CCc1cccc(c1)F 1P005KEQ [0,0,0,0,0,1|3,0,0]=4 1573 B9R1.2 CCc1cccc(c1)I 1P002FVF [0,0,0,0,0,1|3,0,0]=4 1574 B9R1.2 CCc1cccc(c1)N 1P00345L [0,0,0,0,0,1|3,0,0]=4 1575 B9R1.2 CCc1cccc(c1)O 1P003JVD [0,0,0,0,0,1|3,0,0]=4 1576 B9R1.2 CCc1cccc(c1)S 1P00EC7S [0,0,0,0,0,1|3,0,0]=4 1577 B9R1.2 CCc1cccc(n1)Br 1P00370H [0,0,0,0,0,1|3,0,0]=4 1578 B9R1.2 CCc1cccc(n1)C 1P0083JM [0,0,0,0,0,1|2,0,0]=3 1579 B9R1.2 CCc1cccc(n1)F 1P00KE64 [0,0,0,0,0,1|3,0,0]=4 1580 B9R1.2 CCc1cccc(n1)N 1P003NNZ [0,0,0,0,0,1|3,0,0]=4 1581 B9R1.2 CCc1ccnc(c1)Br 1P00IA74 [0,0,0,0,0,1|3,0,0]=4 1582 B9R1.2 CCc1ccnc(c1)Cl 1P00C9HG [0,0,0,0,0,1|3,0,0]=4 1583 B9R1.2 CCc1ccnc(c1)N 1P00383Q [0,0,0,0,0,1|3,0,0]=4 1584 B9R1.2 CCc1ccnc(n1)Cl 1P002HN6 [0,0,0,0,0,1|3,0,0]=4 1585 B9R1.2 CCc1ccnc(n1)N 1P0094C6 [0,0,0,0,0,1|3,0,0]=4 1586 B9R1.2 CCc1cncc(n1)C 1P003HO1 [0,0,0,0,0,1|2,0,0]=3 1587 B9R1.2 CCc1cncc(n1)C 1P00CUFF [0,0,0,0,0,1|2,0,0]=3 1588 B9R1.2 CCc1cncc(n1)N 1P006ZHQ [0,0,0,0,0,1|3,0,0]=4 1589 B9R1.2 CCc1nc(Cl)ccn1 1P009IDQ [0,0,0,0,0,1|3,0,0]=4 1590 B9R1.2 CCc1nc(O)ccn1 1P00AI8S [0,0,0,0,0,1|3,0,0]=4 1591 B9R1.2 CN1CC(=CCC1)CO 1P01XFJB [0,0,0,0,0,1|2,0,1]=4 1592 B9R1.2 CN=c1[nH]ccc(c1)C 1P00DKLU [0,0,0,0,0,1|3,0,0]=4 1593 B9R1.2 CNc1cccc(c1)C 1P003TOM [0,0,0,0,0,1|3,0,0]=4 1594 B9R1.2 CNc1cccc(n1)C 1P01AJJZ [0,0,0,0,0,1|3,0,0]=4 1595 B9R1.2 CNc1ccnc(n1)C 1P00D1QH [0,0,0,0,0,1|3,0,0]=4 1596 B9R1.2 CNc1cncc(c1)C 1P01KHHK [0,0,0,0,0,1|3,0,0]=4 1597 B9R1.2 CNc1cncc(n1)C 1P00IG75 [0,0,0,0,0,1|3,0,0]=4 1598 B9R1.2 CNc1nccc(c1)C 1P019S75 [0,0,0,0,0,1|3,0,0]=4 1599 B9R1.2 CNc1nccc(n1)C 1P00B5G7 [0,0,0,0,0,1|3,0,0]=4 1600 B9R1.2 COc1cccc(c1)C 1P0000OJ [0,0,0,0,0,1|3,0,0]=4 1601 B9R1.2 COc1cccc(n1)C 1P003I0A [0,0,0,0,0,1|3,0,0]=4 1602 B9R1.2 COc1ccnc(c1)C 1P006XU2 [0,0,0,0,0,1|3,0,0]=4 1603 B9R1.2 COc1ccnc(n1)C 1P005RCN [0,0,0,0,0,1|3,0,0]=4 1604 B9R1.2 COc1cncc(n1)C 1P002X48 [0,0,0,0,0,1|3,0,0]=4 1605 B9R1.2 COc1nccc(c1)C 1P0003HE [0,0,0,0,0,1|3,0,0]=4 1606 B9R1.2 COc1nccc(n1)C 1P001CEL [0,0,0,0,0,1|3,0,0]=4 1607 B9R1.2 CSc1nccc(n1)C 1P001CEI [0,0,0,0,0,1|3,0,0]=4 1608 B9R1.2 Cc1cc(C=C)cnc1 1P00DF2A [0,0,0,0,0,1|2,0,1]=4 1609 B9R1.2 Cc1cc(C=C)ncc1 1P001BT8 [0,0,0,0,0,1|2,0,1]=4 1610 B9R1.2 Cc1cc(C=O)cnc1 1P0003MU [0,0,0,0,0,1|1,0,2]=4 1611 B9R1.2 Cc1cc(C=O)ncc1 1P003M99 [0,0,0,0,0,1|1,0,2]=4 1612 B9R1.2 Cc1cc(CBr)cnc1 1P000L78 [0,0,0,0,0,1|2,0,0]=3 1613 B9R1.2 Cc1cc(CCl)cnc1 1P00035F [0,0,0,0,0,1|2,0,0]=3 1614 B9R1.2 Cc1cc(CCl)ncc1 1P005R6Z [0,0,0,0,0,1|2,0,0]=3 1615 B9R1.2 Cc1cc(CCl)ncn1 1P019D0O [0,0,0,0,0,1|3,0,0]=4 1616 B9R1.2 Cc1cc(CN)cnc1 1P0055YH [0,0,0,0,0,1|2,0,0]=3 1617 B9R1.2 Cc1cc(CN)cnc1 1P00HXPI [0,0,0,0,0,1|2,0,0]=3 1618 B9R1.2 Cc1cc(CN)ncc1 1P000P3N [0,0,0,0,0,1|2,0,0]=3 1619 B9R1.2 Cc1cc(CN)ncc1 1P000U56 [0,0,0,0,0,1|2,0,0]=3 1620 B9R1.2 Cc1cc(CN)ncn1 1P00K0GF [0,0,0,0,0,1|3,0,0]=4 1621 B9R1.2 Cc1cc(CO)cnc1 1P00071U [0,0,0,0,0,1|1,0,0]=2 1622 B9R1.2 Cc1cc(CO)cnc1 1P028PCG [0,0,0,0,0,1|1,0,0]=2 1623 B9R1.2 Cc1cc(CO)ncc1 1P00BYNN [0,0,0,0,0,1|1,0,0]=2 1624 B9R1.2 Cc1cc(CO)ncn1 1P005K5A [0,0,0,0,0,1|2,0,0]=3 1625 B9R1.2 Cc1cc(NN)ncc1 1P007151 [0,0,0,0,0,1|3,0,0]=4 1626 B9R1.2 Cc1cc(NN)ncc1 1P00J3E9 [0,0,0,0,0,1|3,0,0]=4 1627 B9R1.2 Cc1cc(cnc1)C#C 1P0030IW [0,0,0,0,0,1|2,0,1]=4 1628 B9R1.2 Cc1cc(cnc1)C#N 1P00345F [0,0,0,0,0,1|2,0,1]=4 1629 B9R1.2 Cc1cc(ncc1)C#C 1P0030IV [0,0,0,0,0,1|2,0,1]=4 1630 B9R1.2 Cc1cc(ncc1)C#N 1P001T2L [0,0,0,0,0,1|2,0,1]=4 1631 B9R1.2 Cc1ccnc(n1)C#C 1P018PQY [0,0,0,0,0,1|2,0,1]=4 1632 B9R1.2 Cc1ccnc(n1)C#N 1P003M74 [0,0,0,0,0,1|2,0,1]=4 1633 B9R1.2 Cc1ccnc(n1)C=O 1P00ILN9 [0,0,0,0,0,1|1,0,2]=4 1634 B9R1.2 Cc1ccnc(n1)CCl 1P005Q7E [0,0,0,0,0,1|2,0,0]=3 1635 B9R1.2 Cc1ccnc(n1)CN 1P0026AY [0,0,0,0,0,1|2,0,0]=3 1636 B9R1.2 Cc1ccnc(n1)CO 1P007LEM [0,0,0,0,0,1|1,0,0]=2 1637 B9R1.2 Cc1ccnc(n1)NN 1P01XFG6 [0,0,0,0,0,1|3,0,0]=4 1638 B9R1.2 Cc1cncc(n1)C#N 1P007N4S [0,0,0,0,0,1|2,0,1]=4 1639 B9R1.2 Cc1cncc(n1)C=C 1P007LEI [0,0,0,0,0,1|2,0,1]=4 1640 B9R1.2 Cc1cncc(n1)C=O 1P000DN6 [0,0,0,0,0,1|1,0,2]=4 1641 B9R1.2 Cc1cncc(n1)CN 1P01DX7K [0,0,0,0,0,1|2,0,0]=3 1642 B9R1.2 Cc1cncc(n1)NN 1P002C0W [0,0,0,0,0,1|3,0,0]=4 1643 B9R1.2 ClCc1cc(Br)ccn1 1P0001KM [0,0,0,0,0,1|3,0,0]=4 1644 B9R1.2 ClCc1cc(Br)cnc1 1P003JJ4 [0,0,0,0,0,1|3,0,0]=4 1645 B9R1.2 ClCc1cc(Br)cnc1 1P007QU3 [0,0,0,0,0,1|3,0,0]=4 1646 B9R1.2 ClCc1cc[nH]c(=O)c1 1P009QH3 [0,0,0,0,0,1|3,0,0]=4 1647 B9R1.2 ClCc1cccc(c1)Br 1P003JKU [0,0,0,0,0,1|3,0,0]=4 1648 B9R1.2 ClCc1cccc(c1)C 1P003K7I [0,0,0,0,0,1|2,0,0]=3 1649 B9R1.2 ClCc1cccc(c1)Cl 1P0034WS [0,0,0,0,0,1|3,0,0]=4 1650 B9R1.2 ClCc1cccc(c1)F 1P003JXZ [0,0,0,0,0,1|3,0,0]=4 1651 B9R1.2 ClCc1cccc(c1)I 1P00EE36 [0,0,0,0,0,1|3,0,0]=4 1652 B9R1.2 ClCc1cccc(c1)N 1P01ALW2 [0,0,0,0,0,1|3,0,0]=4 1653 B9R1.2 ClCc1cccc(c1)O 1P00EE37 [0,0,0,0,0,1|3,0,0]=4 1654 B9R1.2 ClCc1cccc(n1)Br 1P003H76 [0,0,0,0,0,1|3,0,0]=4 1655 B9R1.2 ClCc1cccc(n1)C 1P0032BK [0,0,0,0,0,1|2,0,0]=3 1656 B9R1.2 ClCc1cccc(n1)C 1P0032BL [0,0,0,0,0,1|2,0,0]=3 1657 B9R1.2 ClCc1cccc(n1)Cl 1P003HGJ [0,0,0,0,0,1|3,0,0]=4 1658 B9R1.2 ClCc1cccc(n1)F 1P00BYN9 [0,0,0,0,0,1|3,0,0]=4 1659 B9R1.2 ClCc1ccnc(c1)Br 1P00IEJB [0,0,0,0,0,1|3,0,0]=4 1660 B9R1.2 ClCc1ccnc(c1)Cl 1P0006N4 [0,0,0,0,0,1|3,0,0]=4 1661 B9R1.2 ClCc1ccnc(c1)Cl 1P0094A6 [0,0,0,0,0,1|3,0,0]=4 1662 B9R1.2 ClCc1ccnc(c1)F 1P00B9BA [0,0,0,0,0,1|3,0,0]=4 1663 B9R1.2 ClCc1ccnc(c1)N 1P003GUW [0,0,0,0,0,1|3,0,0]=4 1664 B9R1.2 ClCc1ccnc(n1)C 1P00H1HD [0,0,0,0,0,1|2,0,0]=3 1665 B9R1.2 ClCc1ccnc(n1)Cl 1P003HD0 [0,0,0,0,0,1|3,0,0]=4 1666 B9R1.2 ClCc1cncc(c1)Cl 1P00G8NV [0,0,0,0,0,1|3,0,0]=4 1667 B9R1.2 ClCc1cncc(n1)Cl 1P028WTI [0,0,0,0,0,1|3,0,0]=4 1668 B9R1.2 ClCc1nccc(=O)[nH]1 1P006ARJ [0,0,0,0,0,1|3,0,0]=4 1669 B9R1.2 ClCc1nccc(c1)Cl 1P0005WR [0,0,0,0,0,1|3,0,0]=4 1670 B9R1.2 ClCc1nccc(c1)Cl 1P000J59 [0,0,0,0,0,1|3,0,0]=4 1671 B9R1.2 ClCc1nccc(n1)Cl 1P00CJFG [0,0,0,0,0,1|3,0,0]=4 1672 B9R1.2 Clc1cc(CBr)cnc1 1P01B78L [0,0,0,0,0,1|3,0,0]=4 1673 B9R1.2 Clc1cc(CBr)ncc1 1P01E7ZN [0,0,0,0,0,1|3,0,0]=4 1674 B9R1.2 FCc1cccc(c1)Br 1P01JKXE [0,0,0,0,0,1|3,0,0]=4 1675 B9R1.2 FCc1cccc(c1)I 1P01C30N [0,0,0,0,0,1|3,0,0]=4 1676 B9R1.2 FCc1cccc(c1)N 1P003IOW [0,0,0,0,0,1|3,0,0]=4 1677 B9R1.2 FCc1cccc(n1)Br 1P004RYQ [0,0,0,0,0,1|3,0,0]=4 1678 B9R1.2 Fc1cc(CBr)cnc1 1P009I3P [0,0,0,0,0,1|3,0,0]=4 1679 B9R1.2 Fc1cc(CBr)ncc1 1P01KLG4 [0,0,0,0,0,1|3,0,0]=4 1680 B9R1.2 Fc1cc(CCl)cnc1 1P0017GY [0,0,0,0,0,1|3,0,0]=4 1681 B9R1.2 Fc1cc(CCl)ncc1 1P01BJOB [0,0,0,0,0,1|3,0,0]=4 1682 B9R1.2 ICc1cccc(c1)Cl 1P005V3N [0,0,0,0,0,1|3,0,0]=4 1683 B9R1.2 N#Cc1cccc(c1)C 1P00IBF3 [0,0,0,0,0,1|2,0,1]=4 1684 B9R1.2 N#Cc1cccc(n1)C 1P001T2M [0,0,0,0,0,1|2,0,1]=4 1685 B9R1.2 N#Cc1ccnc(c1)C 1P0039CH [0,0,0,0,0,1|2,0,1]=4 1686 B9R1.2 N#Cc1ccnc(n1)C 1P00EIVL [0,0,0,0,0,1|2,0,1]=4 1687 B9R1.2 NCc1[nH]ccc(=O)c1 1P00J1X6 [0,0,0,0,0,1|3,0,0]=4 1688 B9R1.2 NCc1cc(Br)ccn1 1P0036UF [0,0,0,0,0,1|3,0,0]=4 1689 B9R1.2 NCc1cc(Br)cnc1 1P0038KX [0,0,0,0,0,1|3,0,0]=4 1690 B9R1.2 NCc1cc(Cl)ccn1 1P0022S5 [0,0,0,0,0,1|3,0,0]=4 1691 B9R1.2 NCc1cc(Cl)cnc1 1P00196S [0,0,0,0,0,1|3,0,0]=4 1692 B9R1.2 NCc1cc(F)cnc1 1P002O92 [0,0,0,0,0,1|3,0,0]=4 1693 B9R1.2 NCc1cc(F)cnc1 1P00IEIR [0,0,0,0,0,1|3,0,0]=4 1694 B9R1.2 NCc1cc(O)cnc1 1P000MC8 [0,0,0,0,0,1|3,0,0]=4 1695 B9R1.2 NCc1cc[nH]c(=N)n1 1P01DFMC [0,0,0,0,0,1|3,0,0]=4 1696 B9R1.2 NCc1cc[nH]c(=O)c1 1P006BTS [0,0,0,0,0,1|3,0,0]=4 1697 B9R1.2 NCc1cc[nH]c(=O)c1 1P009I31 [0,0,0,0,0,1|3,0,0]=4 1698 B9R1.2 NCc1cc[nH]c(=O)c1 1P01JVQ8 [0,0,0,0,0,1|3,0,0]=4 1699 B9R1.2 NCc1cccc(=O)[nH]1 1P01A4RU [0,0,0,0,0,1|3,0,0]=4 1700 B9R1.2 NCc1cccc(=O)[nH]1 1P01KLL7 [0,0,0,0,0,1|3,0,0]=4 1701 B9R1.2 NCc1cccc(c1)Br 1P0008LR [0,0,0,0,0,1|3,0,0]=4 1702 B9R1.2 NCc1cccc(c1)Br 1P003JKW [0,0,0,0,0,1|3,0,0]=4 1703 B9R1.2 NCc1cccc(c1)C 1P0000OM [0,0,0,0,0,1|2,0,0]=3 1704 B9R1.2 NCc1cccc(c1)Cl 1P003JR8 [0,0,0,0,0,1|3,0,0]=4 1705 B9R1.2 NCc1cccc(c1)F 1P0000OL [0,0,0,0,0,1|3,0,0]=4 1706 B9R1.2 NCc1cccc(c1)F 1P01K78D [0,0,0,0,0,1|3,0,0]=4 1707 B9R1.2 NCc1cccc(c1)I 1P003K2D [0,0,0,0,0,1|3,0,0]=4 1708 B9R1.2 NCc1cccc(c1)I 1P00I7SX [0,0,0,0,0,1|3,0,0]=4 1709 B9R1.2 NCc1cccc(c1)N 1P003JDZ [0,0,0,0,0,1|3,0,0]=4 1710 B9R1.2 NCc1cccc(c1)O 1P0011H8 [0,0,0,0,0,1|3,0,0]=4 1711 B9R1.2 NCc1cccc(c1)O 1P003IMZ [0,0,0,0,0,1|3,0,0]=4 1712 B9R1.2 NCc1cccc(n1)Br 1P0074ZD [0,0,0,0,0,1|3,0,0]=4 1713 B9R1.2 NCc1cccc(n1)Br 1P00GSVK [0,0,0,0,0,1|3,0,0]=4 1714 B9R1.2 NCc1cccc(n1)Br 1P01FJ5Z [0,0,0,0,0,1|3,0,0]=4 1715 B9R1.2 NCc1cccc(n1)C 1P0012KB [0,0,0,0,0,1|2,0,0]=3 1716 B9R1.2 NCc1cccc(n1)C 1P004RKH [0,0,0,0,0,1|2,0,0]=3 1717 B9R1.2 NCc1cccc(n1)C 1P006OMB [0,0,0,0,0,1|2,0,0]=3 1718 B9R1.2 NCc1cccc(n1)Cl 1P001ONV [0,0,0,0,0,1|3,0,0]=4 1719 B9R1.2 NCc1cccc(n1)Cl 1P00AOJ9 [0,0,0,0,0,1|3,0,0]=4 1720 B9R1.2 NCc1cccc(n1)Cl 1P01BCK3 [0,0,0,0,0,1|3,0,0]=4 1721 B9R1.2 NCc1cccc(n1)F 1P000P2X [0,0,0,0,0,1|3,0,0]=4 1722 B9R1.2 NCc1cccc(n1)F 1P001ILO [0,0,0,0,0,1|3,0,0]=4 1723 B9R1.2 NCc1cccc(n1)N 1P001XQU [0,0,0,0,0,1|3,0,0]=4 1724 B9R1.2 NCc1cccc(n1)N 1P01CAT0 [0,0,0,0,0,1|3,0,0]=4 1725 B9R1.2 NCc1cccc(n1)O 1P01DEY1 [0,0,0,0,0,1|3,0,0]=4 1726 B9R1.2 NCc1ccnc(c1)Br 1P004XV2 [0,0,0,0,0,1|3,0,0]=4 1727 B9R1.2 NCc1ccnc(c1)Br 1P01BW3U [0,0,0,0,0,1|3,0,0]=4 1728 B9R1.2 NCc1ccnc(c1)Br 1P01EE6S [0,0,0,0,0,1|3,0,0]=4 1729 B9R1.2 NCc1ccnc(c1)C 1P00A0HX [0,0,0,0,0,1|2,0,0]=3 1730 B9R1.2 NCc1ccnc(c1)C 1P00IILX [0,0,0,0,0,1|2,0,0]=3 1731 B9R1.2 NCc1ccnc(c1)Cl 1P001KSS [0,0,0,0,0,1|3,0,0]=4 1732 B9R1.2 NCc1ccnc(c1)Cl 1P006G2L [0,0,0,0,0,1|3,0,0]=4 1733 B9R1.2 NCc1ccnc(c1)Cl 1P01C3Q0 [0,0,0,0,0,1|3,0,0]=4 1734 B9R1.2 NCc1ccnc(c1)F 1P00FDO6 [0,0,0,0,0,1|3,0,0]=4 1735 B9R1.2 NCc1ccnc(c1)F 1P01BRHN [0,0,0,0,0,1|3,0,0]=4 1736 B9R1.2 NCc1ccnc(c1)N 1P002CH8 [0,0,0,0,0,1|3,0,0]=4 1737 B9R1.2 NCc1ccnc(c1)O 1P01A90Q [0,0,0,0,0,1|3,0,0]=4 1738 B9R1.2 NCc1ccnc(n1)C 1P00C4D0 [0,0,0,0,0,1|2,0,0]=3 1739 B9R1.2 NCc1ccnc(n1)C 1P0285AS [0,0,0,0,0,1|2,0,0]=3 1740 B9R1.2 NCc1ccnc(n1)Cl 1P00HTVQ [0,0,0,0,0,1|3,0,0]=4 1741 B9R1.2 NCc1ccnc(n1)N 1P019L2Q [0,0,0,0,0,1|3,0,0]=4 1742 B9R1.2 NCc1cncc(c1)Br 1P008SBV [0,0,0,0,0,1|3,0,0]=4 1743 B9R1.2 NCc1cncc(c1)C 1P027OFD [0,0,0,0,0,1|2,0,0]=3 1744 B9R1.2 NCc1cncc(c1)Cl 1P009XZW [0,0,0,0,0,1|3,0,0]=4 1745 B9R1.2 NCc1cncc(c1)N 1P00EF6P [0,0,0,0,0,1|3,0,0]=4 1746 B9R1.2 NCc1cncc(c1)O 1P028V18 [0,0,0,0,0,1|3,0,0]=4 1747 B9R1.2 NCc1cncc(n1)C 1P01EIII [0,0,0,0,0,1|2,0,0]=3 1748 B9R1.2 NCc1cncc(n1)Cl 1P009I1R [0,0,0,0,0,1|3,0,0]=4 1749 B9R1.2 NCc1cncc(n1)Cl 1P028WA2 [0,0,0,0,0,1|3,0,0]=4 1750 B9R1.2 NCc1cncc(n1)N 1P028EV3 [0,0,0,0,0,1|3,0,0]=4 1751 B9R1.2 NCc1cncc(n1)O 1P0293RL [0,0,0,0,0,1|3,0,0]=4 1752 B9R1.2 NCc1nc(Cl)ccn1 1P01DY84 [0,0,0,0,0,1|3,0,0]=4 1753 B9R1.2 NCc1nccc(=O)[nH]1 1P01C58R [0,0,0,0,0,1|3,0,0]=4 1754 B9R1.2 NCc1nccc(c1)Br 1P0001JX [0,0,0,0,0,1|3,0,0]=4 1755 B9R1.2 NCc1nccc(c1)C 1P00I7JX [0,0,0,0,0,1|2,0,0]=3 1756 B9R1.2 NCc1nccc(c1)F 1P00AAS2 [0,0,0,0,0,1|3,0,0]=4 1757 B9R1.2 NCc1nccc(c1)N 1P01EKJ0 [0,0,0,0,0,1|3,0,0]=4 1758 B9R1.2 NCc1nccc(n1)C 1P001AL8 [0,0,0,0,0,1|2,0,0]=3 1759 B9R1.2 NCc1nccc(n1)N 1P01A0N6 [0,0,0,0,0,1|3,0,0]=4 1760 B9R1.2 NCc1nccc(n1)N 1P024SPK [0,0,0,0,0,1|3,0,0]=4 1761 B9R1.2 NCc1nncc(c1)C 1P0026TO [0,0,0,0,0,1|3,0,0]=4 1762 B9R1.2 NN=c1cccc([nH]1)C 1P008Y49 [0,0,0,0,0,1|3,0,0]=4 1763 B9R1.2 NNc1cccc(c1)C 1P003484 [0,0,0,0,0,1|3,0,0]=4 1764 B9R1.2 NNc1cccc(c1)C 1P003SN5 [0,0,0,0,0,1|3,0,0]=4 1765 B9R1.2 NNc1cccc(n1)C 1P00DDPS [0,0,0,0,0,1|3,0,0]=4 1766 B9R1.2 NNc1cccc(n1)C 1P00J2JN [0,0,0,0,0,1|3,0,0]=4 1767 B9R1.2 NNc1ccnc(c1)C 1P00J221 [0,0,0,0,0,1|3,0,0]=4 1768 B9R1.2 NNc1ccnc(c1)C 1P01BVOB [0,0,0,0,0,1|3,0,0]=4 1769 B9R1.2 NNc1cncc(c1)C 1P0284S0 [0,0,0,0,0,1|3,0,0]=4 1770 B9R1.2 Nc1cc(CBr)cnc1 1P01KLTB [0,0,0,0,0,1|3,0,0]=4 1771 B9R1.2 Nc1cc(CO)cnc1 1P00DEEH [0,0,0,0,0,1|2,0,0]=3 1772 B9R1.2 Nc1cc(CO)ncc1 1P0001GT [0,0,0,0,0,1|2,0,0]=3 1773 B9R1.2 Nc1cc(CO)ncc1 1P00A3VD [0,0,0,0,0,1|2,0,0]=3 1774 B9R1.2 Nc1ccnc(n1)CCl 1P008M4R [0,0,0,0,0,1|3,0,0]=4 1775 B9R1.2 Nc1ccnc(n1)CCl 1P01BHRC [0,0,0,0,0,1|3,0,0]=4 1776 B9R1.2 Nc1ccnc(n1)CO 1P027PA4 [0,0,0,0,0,1|2,0,0]=3 1777 B9R1.2 Nc1cncc(n1)CO 1P01C27B [0,0,0,0,0,1|2,0,0]=3 1778 B9R1.2 O=Cc1cccc(c1)C 1P003K77 [0,0,0,0,0,1|1,0,2]=4 1779 B9R1.2 O=Cc1cccc(n1)C 1P003NRK [0,0,0,0,0,1|1,0,2]=4 1780 B9R1.2 O=Cc1ccnc(c1)C 1P0037DJ [0,0,0,0,0,1|1,0,2]=4 1781 B9R1.2 O=Cc1ccnc(n1)C 1P0002D1 [0,0,0,0,0,1|1,0,2]=4 1782 B9R1.2 OCC1C=CCN(C1)C 1P01XFIU [0,0,0,0,0,1|2,0,1]=4 1783 B9R1.2 OCc1cc(=N)[nH]cn1 1P00DLDW [0,0,0,0,0,1|3,0,0]=4 1784 B9R1.2 OCc1cc(=O)[nH]cn1 1P0003SE [0,0,0,0,0,1|3,0,0]=4 1785 B9R1.2 OCc1cc(Br)ccn1 1P00103V [0,0,0,0,0,1|2,0,0]=3 1786 B9R1.2 OCc1cc(Br)cnc1 1P003JK1 [0,0,0,0,0,1|2,0,0]=3 1787 B9R1.2 OCc1cc(Br)cnc1 1P006XP9 [0,0,0,0,0,1|2,0,0]=3 1788 B9R1.2 OCc1cc(Cl)ccn1 1P003CC4 [0,0,0,0,0,1|2,0,0]=3 1789 B9R1.2 OCc1cc(Cl)ccn1 1P00J1WS [0,0,0,0,0,1|2,0,0]=3 1790 B9R1.2 OCc1cc(Cl)cnc1 1P006XPA [0,0,0,0,0,1|2,0,0]=3 1791 B9R1.2 OCc1cc(Cl)ncn1 1P00084K [0,0,0,0,0,1|3,0,0]=4 1792 B9R1.2 OCc1cc(F)ccn1 1P00HH5P [0,0,0,0,0,1|2,0,0]=3 1793 B9R1.2 OCc1cc(F)cnc1 1P006XPB [0,0,0,0,0,1|2,0,0]=3 1794 B9R1.2 OCc1cc[nH]c(=O)c1 1P000XX1 [0,0,0,0,0,1|2,0,0]=3 1795 B9R1.2 OCc1ccc[n+](c1)[O-] 1P003KCZ [0,0,0,0,0,1|3,0,0]=4 1796 B9R1.2 OCc1cccc(=O)[nH]1 1P007ETW [0,0,0,0,0,1|2,0,0]=3 1797 B9R1.2 OCc1cccc(c1)Br 1P001QQM [0,0,0,0,0,1|2,0,0]=3 1798 B9R1.2 OCc1cccc(c1)C 1P003K7G [0,0,0,0,0,1|1,0,0]=2 1799 B9R1.2 OCc1cccc(c1)Cl 1P003JR6 [0,0,0,0,0,1|2,0,0]=3 1800 B9R1.2 OCc1cccc(c1)F 1P003JXY [0,0,0,0,0,1|2,0,0]=3 1801 B9R1.2 OCc1cccc(c1)I 1P003K2C [0,0,0,0,0,1|2,0,0]=3 1802 B9R1.2 OCc1cccc(c1)N 1P0039D9 [0,0,0,0,0,1|2,0,0]=3 1803 B9R1.2 OCc1cccc(c1)O 1P003K0Z [0,0,0,0,0,1|2,0,0]=3 1804 B9R1.2 OCc1cccc(c1)S 1P00566D [0,0,0,0,0,1|2,0,0]=3 1805 B9R1.2 OCc1cccc(n1)Br 1P003H7T [0,0,0,0,0,1|2,0,0]=3 1806 B9R1.2 OCc1cccc(n1)C 1P007C8T [0,0,0,0,0,1|1,0,0]=2 1807 B9R1.2 OCc1cccc(n1)Cl 1P003CFI [0,0,0,0,0,1|2,0,0]=3 1808 B9R1.2 OCc1cccc(n1)Cl 1P003NM0 [0,0,0,0,0,1|2,0,0]=3 1809 B9R1.2 OCc1cccc(n1)F 1P003NO6 [0,0,0,0,0,1|2,0,0]=3 1810 B9R1.2 OCc1cccc(n1)N 1P003NJ2 [0,0,0,0,0,1|2,0,0]=3 1811 B9R1.2 OCc1ccnc(c1)Br 1P008RSZ [0,0,0,0,0,1|2,0,0]=3 1812 B9R1.2 OCc1ccnc(c1)C 1P007XDG [0,0,0,0,0,1|1,0,0]=2 1813 B9R1.2 OCc1ccnc(c1)Cl 1P00035P [0,0,0,0,0,1|2,0,0]=3 1814 B9R1.2 OCc1ccnc(c1)F 1P00104Y [0,0,0,0,0,1|2,0,0]=3 1815 B9R1.2 OCc1ccnc(c1)N 1P003C2A [0,0,0,0,0,1|2,0,0]=3 1816 B9R1.2 OCc1ccnc(n1)C 1P008T10 [0,0,0,0,0,1|1,0,0]=2 1817 B9R1.2 OCc1ccnc(n1)Cl 1P00CMNH [0,0,0,0,0,1|2,0,0]=3 1818 B9R1.2 OCc1ccnc(n1)N 1P00BFQP [0,0,0,0,0,1|2,0,0]=3 1819 B9R1.2 OCc1cncc(c1)O 1P00DGST [0,0,0,0,0,1|2,0,0]=3 1820 B9R1.2 OCc1cncc(n1)Br 1P009MAH [0,0,0,0,0,1|2,0,0]=3 1821 B9R1.2 OCc1cncc(n1)Cl 1P000LYW [0,0,0,0,0,1|2,0,0]=3 1822 B9R1.2 OCc1nc(Br)ccn1 1P02874M [0,0,0,0,0,1|2,0,0]=3 1823 B9R1.2 OCc1nc(Cl)ccn1 1P0096F4 [0,0,0,0,0,1|2,0,0]=3 1824 B9R1.2 OCc1nccc(=O)[nH]1 1P00CYET [0,0,0,0,0,1|2,0,0]=3 1825 B9R1.2 OCc1nccc(c1)O 1P01DL28 [0,0,0,0,0,1|2,0,0]=3 1826 B9R1.2 OCc1nccc(n1)O 1P028LSQ [0,0,0,0,0,1|2,0,0]=3 1827 B9R1.2 OCc1nncc(c1)C 1P0026U6 [0,0,0,0,0,1|2,0,0]=3 1828 B9R1.2 ONc1ccnc(=O)[nH]1 1P002ANF [0,0,0,0,0,1|3,0,0]=4 1829 B9R1.2 SCc1cccc(c1)Br 1P003JKV [0,0,0,0,0,1|2,1,0]=4 1830 B9R1.2 SCc1cccc(c1)C 1P003K7K [0,0,0,0,0,1|1,1,0]=3 1831 B9R1.2 SCc1cccc(c1)Cl 1P00BIQ5 [0,0,0,0,0,1|2,1,0]=4 1832 B9R1.2 SCc1cccc(c1)F 1P00C7RA [0,0,0,0,0,1|2,1,0]=4 1833 B9R1.2 SCc1cccc(c1)I 1P0290H9 [0,0,0,0,0,1|2,1,0]=4 1834 B6R0.1 CC(=C=C)CCO 1P0022AB [1,0,1,0,0,0|0,0,2]=4 1835 B6R0.1 CC(=CCC)C=O 1P003I2O [1,0,1,0,0,0|2,0,0]=4 1836 B6R0.1 CC=CC(=O)CC 1P002QI6 [1,0,1,0,0,0|1,0,1]=4 1837 B6R0.1 CCOC(=O)C=C 1P001CEZ [1,0,1,0,0,0|0,0,2]=4 1838 B6R0.1 CCOC(=O)CO 1P0035CV [1,0,1,0,0,0|1,0,1]=4 1839 B6R0.1 C\C=C\C(=O)CC 1P00DT54 [1,0,1,0,0,0|1,0,1]=4 1840 B6R0.1 OCC=C(CCl)C 1P01RSG6 [1,0,1,0,0,0|1,0,1]=4 1841 B6R0.1 OCNC(=O)C=C 1P003TP0 [1,0,1,0,0,0|2,0,0]=4 1842 B6R0.1 OC\C=C(/CC)\C 1P0031SF [1,0,1,0,0,0|0,0,2]=4 1843 B6R0.1 OC\C=C(\CBr)/C 1P024KRA [1,0,1,0,0,0|1,0,1]=4 1844 B6R0.1 OC\C=C(\CC)/C 1P0031SO [1,0,1,0,0,0|0,0,2]=4 1845 B6R0.2 CC(=C)CC(=O)C 1P00CLKE [1,0,1,0,0,0|2,0,0]=4 1846 B6R0.2 CC(=C)CC(=O)O 1P001WA5 [1,0,1,0,0,0|2,0,0]=4 1847 B6R0.2 CC(=C)OC(=O)C 1P0035IQ [1,0,1,0,0,0|1,0,0]=3 1848 B6R0.4 BrC\C=C\C(=O)O 1P001C9M [1,0,1,0,0,0|2,0,0]=4 1849 B6R0.4 C=CC=CC(=O)O 1P00IBIF [1,0,1,0,0,0|0,0,2]=4 1850 B6R0.4 C=C\C=C/C(=O)O 1P01DEBA [1,0,1,0,0,0|0,0,2]=4 1851 B6R0.4 C=C\C=C\C(=O)O 1P0070UZ [1,0,1,0,0,0|0,0,2]=4 1852 B6R0.4 CC(=O)OCCO 1P003BP4 [1,0,1,0,0,0|1,0,1]=4 1853 B6R0.4 CC\C=C/C(=O)O 1P00B62Y [1,0,1,0,0,0|0,0,2]=4 1854 B6R0.4 CC\C=C\C(=O)O 1P001C9L [1,0,1,0,0,0|0,0,2]=4 1855 B6R0.4 COC=CC(=O)C 1P00DEQI [1,0,1,0,0,0|1,0,1]=4 1856 B6R0.4 COC=CC(=O)O 1P01KAIU [1,0,1,0,0,0|1,0,1]=4 1857 B6R0.4 CO\C=C\C(=O)C 1P00366M [1,0,1,0,0,0|1,0,1]=4 1858 B6R0.4 CO\C=C\C(=O)O 1P01J5LZ [1,0,1,0,0,0|1,0,1]=4 1859 B6R0.4 C\C=C\CC(=O)O 1P001WA4 [1,0,1,0,0,0|0,0,2]=4 1860 B6R0.4 ClCC=CC(=O)O 1P001T1M [1,0,1,0,0,0|2,0,0]=4 1861 B6R0.4 ClC\C=C\C(=O)O 1P01DL21 [1,0,1,0,0,0|2,0,0]=4 1862 B6R0.4 NCC=CC(=O)O 1P01BG7C [1,0,1,0,0,0|2,0,0]=4 1863 B6R0.4 NC\C=C\C(=O)O 1P00IMT6 [1,0,1,0,0,0|2,0,0]=4 1864 B6R0.4 OCC=CC(=O)[O-] 1P01C4RI [1,0,1,0,0,0|1,0,1]=4 1865 B6R0.4 OCCCC(=C)C 1P006Y6M [1,0,1,0,0,0|1,0,1]=4 1866 B6R0.4 OC\C=C\C(=O)O 1P002P4F [1,0,1,0,0,0|1,0,0]=3 1867 B6R0.6 CC=CC=CC#N 1P001NWM [1,0,1,0,0,0|1,0,1]=4 1868 B6R0.6 CC=CC=CCO 1P003VBC [1,0,1,0,0,0|0,0,0]=2 1869 B6R0.6 CC=CCCCO 1P00EG91 [1,0,1,0,0,0|0,0,2]=4 1870 B6R0.6 CCC\C=C\CO 1P00GS1G [1,0,1,0,0,0|0,0,2]=4 1871 B6R0.6 C\C=C\C=C\CN 1P01DWZV [1,0,1,0,0,0|1,0,0]=3 1872 B6R0.6 C\C=C\C=C\CO 1P003CHO [1,0,1,0,0,0|0,0,0]=2 1873 B6R0.6 C\C=C\CCCO 1P003LXM [1,0,1,0,0,0|0,0,2]=4 1874 B6R0.6 OCCOCC=C 1P003BMO [1,0,1,0,0,0|0,0,2]=4 1875 B6R0.6 OCC\C=C/CC 1P00377Y [1,0,1,0,0,0|0,0,2]=4 1876 B6R0.6 OCC\C=C\C=C 1P005YFP [1,0,1,0,0,0|0,0,2]=4 1877 B6R0.6 OCC\C=C\CC 1P003VE0 [1,0,1,0,0,0|0,0,2]=4 1878 B6R0.6 [O-]C\C=C\C=C\C 1P006TR9 [1,0,1,0,0,0|0,0,1]=3 1879 B6R0.9 CCC(=CC)C=O 1P002BHU [1,0,1,0,0,0|2,0,0]=4 1880 B6R0.9 CN[C@@H](C=C)CO 1P028DFL [1,0,1,0,0,0|1,0,1]=4 1881 B6R0.9 COC(C=C)CBr 1P007OYC [1,0,1,0,0,0|1,0,1]=4 1882 B6R1.2 Brc1cccs1 1P0001YI [2,0,0,0,0,0|1,1,0]=4 1883 B6R1.2 Brc1ccno1 1P0008UV [2,0,0,0,0,0|2,0,0]=4 1884 B6R1.2 Brc1cnco1 1P0094A7 [2,0,0,0,0,0|2,0,0]=4 1885 B6R1.2 Brc1cnco1 1P01B653 [2,0,0,0,0,0|2,0,0]=4 1886 B6R1.2 Brc1ncco1 1P000O9T [2,0,0,0,0,0|2,0,0]=4 1887 B6R1.2 Brc1ncco1 1P01AC0E [2,0,0,0,0,0|2,0,0]=4 1888 B6R1.2 C1OC(=O)C=C1 1P0037VR [2,0,0,0,0,0|0,0,2]=4 1889 B6R1.2 CC1=CCCO1 1P001LLN [2,0,0,0,0,0|0,0,2]=4 1890 B6R1.2 C[C-]1C=CC=C1 1P000ZBQ [2,0,0,0,0,0|1,0,1]=4 1891 B6R1.2 Cc1[n-]ccn1 1P00EFKI [2,0,0,0,0,0|2,0,0]=4 1892 B6R1.2 Cc1c[nH]cc1 1P00347O [2,0,0,0,0,0|2,0,0]=4 1893 B6R1.2 Cc1c[nH]cn1 1P0034KA [2,0,0,0,0,0|2,0,0]=4 1894 B6R1.2 Cc1cc[nH]n1 1P001L8I [2,0,0,0,0,0|2,0,0]=4 1895 B6R1.2 Cc1ccc[nH]1 1P0036CQ [2,0,0,0,0,0|1,0,0]=3 1896 B6R1.2 Cc1ccco1 1P003I5W [2,0,0,0,0,0|0,0,0]=2 1897 B6R1.2 Cc1ccn[nH]1 1P00GV5F [2,0,0,0,0,0|2,0,0]=4 1898 B6R1.2 Cc1ccn[nH]1 1P00HFKT [2,0,0,0,0,0|2,0,0]=4 1899 B6R1.2 Cc1ccno1 1P0034RJ [2,0,0,0,0,0|1,0,0]=3 1900 B6R1.2 Cc1ccns1 1P00FD3O [2,0,0,0,0,0|1,1,0]=4 1901 B6R1.2 Cc1ccon1 1P0031XW [2,0,0,0,0,0|2,0,0]=4 1902 B6R1.2 Cc1cnc[nH]1 1P002MX4 [2,0,0,0,0,0|2,0,0]=4 1903 B6R1.2 Cc1cnco1 1P0037GR [2,0,0,0,0,0|1,0,0]=3 1904 B6R1.2 Cc1cncs1 1P003ND8 [2,0,0,0,0,0|1,1,0]=4 1905 B6R1.2 Cc1cocc1 1P003K7Y [2,0,0,0,0,0|2,0,0]=4 1906 B6R1.2 Cc1cocn1 1P00376B [2,0,0,0,0,0|2,0,0]=4 1907 B6R1.2 Cc1cscc1 1P0037J4 [2,0,0,0,0,0|2,0,0]=4 1908 B6R1.2 Cc1cscn1 1P0034KU [2,0,0,0,0,0|2,0,0]=4 1909 B6R1.2 Cc1ncc[nH]1 1P0033UW [2,0,0,0,0,0|2,0,0]=4 1910 B6R1.2 Cc1ncc[nH]1 1P01FPHT [2,0,0,0,0,0|2,0,0]=4 1911 B6R1.2 Cc1ncco1 1P002MBP [2,0,0,0,0,0|1,0,0]=3 1912 B6R1.2 Cc1nccs1 1P003I7G [2,0,0,0,0,0|1,1,0]=4 1913 B6R1.2 Cc1nnco1 1P0033UG [2,0,0,0,0,0|2,0,0]=4 1914 B6R1.2 Clc1cccs1 1P0033WN [2,0,0,0,0,0|1,1,0]=4 1915 B6R1.2 Clc1ncco1 1P01C0J0 [2,0,0,0,0,0|2,0,0]=4 1916 B6R1.2 Cn1cccc1 1P003TMI [2,0,0,0,0,0|2,0,0]=4 1917 B6R1.2 Cn1cccn1 1P003EXX [2,0,0,0,0,0|2,0,0]=4 1918 B6R1.2 Fc1cccs1 1P00BYBL [2,0,0,0,0,0|1,1,0]=4 1919 B6R1.2 Ic1cccs1 1P0033TX [2,0,0,0,0,0|1,1,0]=4 1920 B6R1.2 Ic1cnco1 1P027WF8 [2,0,0,0,0,0|2,0,0]=4 1921 B6R1.2 Ic1ncco1 1P00IF7W [2,0,0,0,0,0|2,0,0]=4 1922 B6R1.2 Nc1ccno1 1P001ES2 [2,0,0,0,0,0|2,0,0]=4 1923 B6R1.2 Nc1ncco1 1P0033L1 [2,0,0,0,0,0|2,0,0]=4 1924 B6R1.2 O=c1occ[nH]1 1P002UML [2,0,0,0,0,0|1,0,1]=4 1925 B6R1.2 O=c1occo1 1P003VS7 [2,0,0,0,0,0|1,0,1]=4 1926 B6R1.2 Oc1c[nH]cn1 1P0063WX [2,0,0,0,0,0|2,0,0]=4 1927 B6R1.2 Oc1cc[nH]n1 1P00EIV8 [2,0,0,0,0,0|2,0,0]=4 1928 B6R1.2 Oc1cccs1 1P007WJZ [2,0,0,0,0,0|0,1,0]=3 1929 B6R1.2 Oc1ccn[nH]1 1P00EF5X [2,0,0,0,0,0|2,0,0]=4 1930 B6R1.2 Oc1cscc1 1P007DIM [2,0,0,0,0,0|2,0,0]=4 1931 B6R1.2 Oc1nccs1 1P00G7GQ [2,0,0,0,0,0|1,1,0]=4 1932 B6R1.2 On1cccn1 1P0056CG [2,0,0,0,0,0|2,0,0]=4 1933 B6R1.2 Sc1cccs1 1P003IEZ [2,0,0,0,0,0|0,2,0]=4 1934 B6R1.2 [Fe]C1=CC=CC1 1P003PMR [2,0,0,0,0,0|2,0,0]=4 1935 B6R1.2 [Mn]C1=CC=CC1 1P003PMS [2,0,0,0,0,0|2,0,0]=4 1936 B6R1.2 [Tl]C1=CC=CC1 1P00C19M [2,0,0,0,0,0|2,0,0]=4 1937 B8R0.6 COCCOC(=O)C=C 1P00I6BA [0,1,1,0,0,0|1,0,1]=4 1938 B8R0.6 C\C=C\C=C\C(=O)NO 1P00C7Y7 [0,1,1,0,0,0|1,0,1]=4 1939 B8R0.8 CC(=C)C(=O)OCCO 1P003HW6 [0,1,1,0,0,0|1,0,1]=4 1940 B8R0.9 CC(COC(=O)C=C)O 1P003HWO [0,1,1,0,0,0|1,0,1]=4 1941 B8R0.7 CCC=CC=CC(O)C 1P005K3K [0,1,1,0,0,0|1,0,1]=4 1942 B8R0.7 CC\C=C\C=C\C(=O)O 1P028PCP [0,1,1,0,0,0|2,0,0]=4 1943 B8R0.7 NC\C=C\C=C\C(=O)O 1P0282JT [0,1,1,0,0,0|2,0,0]=4 1944 B8R0.7 OCCS\C=C/C(=O)O 1P028O4K [0,1,1,0,0,0|1,0,1]=4 1945 B8R1.7 CC(=C)c1ccco1 1P01DDLR [1,1,0,0,0,0|1,0,1]=4 1946 B8R1.7 CC(=C1C=CC=C1)O 1P006CQI [1,1,0,0,0,0|1,0,1]=4 1947 B8R1.7 CC(=O)c1ccco1 1P000IT2 [1,1,0,0,0,0|0,0,2]=4 1948 B8R1.7 CC([C-]1C=CC=C1)O 1P000XSK [1,1,0,0,0,0|1,0,1]=4 1949 B8R1.7 CC(c1cc[nH]n1)O 1P00BU24 [1,1,0,0,0,0|2,0,0]=4 1950 B8R1.7 CC(c1ccc[nH]1)N 1P01A3OU [1,1,0,0,0,0|2,0,0]=4 1951 B8R1.7 CC(c1ccco1)C 1P003HYG [1,1,0,0,0,0|1,0,0]=3 1952 B8R1.7 CC(c1ccco1)N 1P00BDMZ [1,1,0,0,0,0|1,0,0]=3 1953 B8R1.7 CC(c1ccco1)N 1P019N05 [1,1,0,0,0,0|1,0,0]=3 1954 B8R1.7 CC(c1ccco1)O 1P00I8MZ [1,1,0,0,0,0|0,0,0]=2 1955 B8R1.7 CC(c1ccco1)S 1P01A8IC [1,1,0,0,0,0|0,1,0]=3 1956 B8R1.7 CC(c1cccs1)N 1P0032QU [1,1,0,0,0,0|1,1,0]=4 1957 B8R1.7 CC(c1cccs1)N 1P00ATK3 [1,1,0,0,0,0|1,1,0]=4 1958 B8R1.7 CC(c1cccs1)O 1P002MMU [1,1,0,0,0,0|0,1,0]=3 1959 B8R1.7 CC(c1cccs1)S 1P01AKH2 [1,1,0,0,0,0|0,2,0]=4 1960 B8R1.7 CC(c1ccno1)O 1P0289RW [1,1,0,0,0,0|1,0,0]=3 1961 B8R1.7 CC(c1cnc[nH]1)O 1P00EG08 [1,1,0,0,0,0|2,0,0]=4 1962 B8R1.7 CC(c1cnco1)O 1P028HP9 [1,1,0,0,0,0|1,0,0]=3 1963 B8R1.7 CC(c1cncs1)O 1P00D74H [1,1,0,0,0,0|1,1,0]=4 1964 B8R1.7 CC(c1cocn1)O 1P020N34 [1,1,0,0,0,0|2,0,0]=4 1965 B8R1.7 CC(c1cscc1)O 1P00AT04 [1,1,0,0,0,0|2,0,0]=4 1966 B8R1.7 CC(c1cscn1)O 1P01A4T6 [1,1,0,0,0,0|2,0,0]=4 1967 B8R1.7 CC(c1ncc[nH]1)O 1P00C3YX [1,1,0,0,0,0|2,0,0]=4 1968 B8R1.7 CC(c1ncc[nH]1)O 1P028EA4 [1,1,0,0,0,0|2,0,0]=4 1969 B8R1.7 CC(c1ncco1)Br 1P0285HD [1,1,0,0,0,0|2,0,0]=4 1970 B8R1.7 CC(c1ncco1)Cl 1P028AQQ [1,1,0,0,0,0|2,0,0]=4 1971 B8R1.7 CC(c1ncco1)N 1P00HBMP [1,1,0,0,0,0|2,0,0]=4 1972 B8R1.7 CC(c1ncco1)N 1P01BDX7 [1,1,0,0,0,0|2,0,0]=4 1973 B8R1.7 CC(c1nccs1)O 1P00CJVD [1,1,0,0,0,0|1,1,0]=4 1974 B8R1.7 CC(c1ocnc1)C 1P01E7KI [1,1,0,0,0,0|2,0,0]=4 1975 B8R1.7 CC(c1ocnc1)N 1P01EIHC [1,1,0,0,0,0|2,0,0]=4 1976 B8R1.7 C[C@@H](c1c[nH]cn1)O 1P028MGD [1,1,0,0,0,0|2,0,0]=4 1977 B8R1.7 C[C@@H](c1cc[nH]n1)O 1P01B885 [1,1,0,0,0,0|2,0,0]=4 1978 B8R1.7 C[C@@H](c1ccco1)O 1P0079X7 [1,1,0,0,0,0|0,0,0]=2 1979 B8R1.7 C[C@@H](c1cccs1)N 1P000V48 [1,1,0,0,0,0|1,1,0]=4 1980 B8R1.7 C[C@@H](c1cccs1)N 1P00BJRY [1,1,0,0,0,0|1,1,0]=4 1981 B8R1.7 C[C@@H](c1cccs1)O 1P00BC2M [1,1,0,0,0,0|0,1,0]=3 1982 B8R1.7 C[C@@H](c1ccns1)O 1P027Z4B [1,1,0,0,0,0|1,1,0]=4 1983 B8R1.7 C[C@@H](c1cncs1)O 1P01A5H7 [1,1,0,0,0,0|1,1,0]=4 1984 B8R1.7 C[C@@H](c1cncs1)O 1P01AJLF [1,1,0,0,0,0|1,1,0]=4 1985 B8R1.7 C[C@@H](c1cocc1)O 1P019ZQQ [1,1,0,0,0,0|2,0,0]=4 1986 B8R1.7 C[C@@H](c1cscn1)O 1P0283B6 [1,1,0,0,0,0|2,0,0]=4 1987 B8R1.7 C[C@@H](c1nccs1)O 1P009TDD [1,1,0,0,0,0|1,1,0]=4 1988 B8R1.7 C[C@H](c1c[nH]cn1)O 1P028G39 [1,1,0,0,0,0|2,0,0]=4 1989 B8R1.7 C[C@H](c1cc[nH]n1)O 1P01B884 [1,1,0,0,0,0|2,0,0]=4 1990 B8R1.7 C[C@H](c1ccco1)N 1P01JV6O [1,1,0,0,0,0|1,0,0]=3 1991 B8R1.7 C[C@H](c1ccco1)O 1P00IN2M [1,1,0,0,0,0|0,0,0]=2 1992 B8R1.7 C[C@H](c1cccs1)N 1P00BJSF [1,1,0,0,0,0|1,1,0]=4 1993 B8R1.7 C[C@H](c1cccs1)N 1P01JV6J [1,1,0,0,0,0|1,1,0]=4 1994 B8R1.7 C[C@H](c1cccs1)O 1P003BWH [1,1,0,0,0,0|0,1,0]=3 1995 B8R1.7 C[C@H](c1ccns1)O 1P027YNI [1,1,0,0,0,0|1,1,0]=4 1996 B8R1.7 C[C@H](c1cncs1)O 1P01AJLG [1,1,0,0,0,0|1,1,0]=4 1997 B8R1.7 C[C@H](c1cocc1)O 1P019ZUH [1,1,0,0,0,0|2,0,0]=4 1998 B8R1.7 C[C@H](c1cscn1)O 1P0282TD [1,1,0,0,0,0|2,0,0]=4 1999 B8R1.7 C[C@H](c1nccs1)O 1P00A93S [1,1,0,0,0,0|1,1,0]=4 2000 B8R1.7 NC(=N)c1ccco1 1P00D99M [1,1,0,0,0,0|1,0,1]=4 2001 B8R1.7 NC(=O)c1ccco1 1P003HT3 [1,1,0,0,0,0|0,0,2]=4 2002 B8R1.7 NC(=S)c1ccco1 1P0021LD [1,1,0,0,0,0|0,1,1]=4 2003 B8R1.7 NS(=O)c1ccco1 1P027UN7 [1,1,0,0,0,0|1,0,1]=4 2004 B8R1.7 OB(c1ccco1)O 1P00152J [1,1,0,0,0,0|1,0,0]=3 2005 B8R1.7 OB(c1cccs1)O 1P00365P [1,1,0,0,0,0|1,1,0]=4 2006 B8R1.7 OC(=O)c1ccc[nH]1 1P00360N [1,1,0,0,0,0|1,0,1]=4 2007 B8R1.7 OC(=O)c1cccs1 1P003IEW [1,1,0,0,0,0|0,1,1]=4 2008 B8R1.7 OC(=O)c1ccno1 1P003RMK [1,1,0,0,0,0|1,0,1]=4 2009 B8R1.7 OC(=O)c1cnco1 1P0038RZ [1,1,0,0,0,0|1,0,1]=4 2010 B8R1.7 OC(=O)c1ncco1 1P0035WL [1,1,0,0,0,0|1,0,1]=4 2011 B8R1.7 OC(=O)c1ncco1 1P028A5I [1,1,0,0,0,0|1,0,1]=4 2012 B8R1.7 [O-][N+](=O)c1ccco1 1P003I9C [1,1,0,0,0,0|1,0,1]=4 2013 B8R1.8 BrCCc1cccs1 1P002TU6 [1,1,0,0,0,0|1,1,0]=4 2014 B8R1.8 BrCCc1cnco1 1P024SG9 [1,1,0,0,0,0|2,0,0]=4 2015 B8R1.8 BrCCc1ncco1 1P027XM1 [1,1,0,0,0,0|2,0,0]=4 2016 B8R1.8 C(c1ccno1)C#N 1P00G5QL [1,1,0,0,0,0|2,0,0]=4 2017 B8R1.8 CCCc1ccc[nH]1 1P007FSL [1,1,0,0,0,0|2,0,0]=4 2018 B8R1.8 CCCc1cccs1 1P003IDK [1,1,0,0,0,0|1,1,0]=4 2019 B8R1.8 CCOc1cccs1 1P01HY7F [1,1,0,0,0,0|1,1,0]=4 2020 B8R1.8 CCOc1cnco1 1P001MYR [1,1,0,0,0,0|2,0,0]=4 2021 B8R1.8 CNCc1ccc[nH]1 1P002S02 [1,1,0,0,0,0|2,0,0]=4 2022 B8R1.8 CNCc1ccc[nH]1 1P027XEF [1,1,0,0,0,0|2,0,0]=4 2023 B8R1.8 CNCc1ccco1 1P00D8RX [1,1,0,0,0,0|1,0,0]=3 2024 B8R1.8 CNCc1cccs1 1P003TMJ [1,1,0,0,0,0|1,1,0]=4 2025 B8R1.8 CNCc1cccs1 1P003TMK [1,1,0,0,0,0|1,1,0]=4 2026 B8R1.8 CNCc1cnco1 1P028CGH [1,1,0,0,0,0|2,0,0]=4 2027 B8R1.8 CNCc1ncco1 1P027WJR [1,1,0,0,0,0|2,0,0]=4 2028 B8R1.8 COCc1c[nH]cn1 1P00IF42 [1,1,0,0,0,0|2,0,0]=4 2029 B8R1.8 COCc1cc[nH]n1 1P01DZQW [1,1,0,0,0,0|2,0,0]=4 2030 B8R1.8 COCc1cccs1 1P001LLJ [1,1,0,0,0,0|0,1,0]=3 2031 B8R1.8 COCc1ccns1 1P01FL4P [1,1,0,0,0,0|1,1,0]=4 2032 B8R1.8 COCc1cncs1 1P027XKB [1,1,0,0,0,0|1,1,0]=4 2033 B8R1.8 COCc1cscc1 1P028GT6 [1,1,0,0,0,0|2,0,0]=4 2034 B8R1.8 COCc1ncc[nH]1 1P0008HA [1,1,0,0,0,0|2,0,0]=4 2035 B8R1.8 COCn1cccc1 1P00ID6X [1,1,0,0,0,0|2,0,0]=4 2036 B8R1.8 COCn1cccn1 1P000NFN [1,1,0,0,0,0|2,0,0]=4 2037 B8R1.8 CSCc1ccco1 1P003R63 [1,1,0,0,0,0|0,1,0]=3 2038 B8R1.8 ClCCc1cccs1 1P002CY4 [1,1,0,0,0,0|1,1,0]=4 2039 B8R1.8 N#CCc1ccc[nH]1 1P00DYLT [1,1,0,0,0,0|2,0,0]=4 2040 B8R1.8 N#CCc1ccco1 1P00BDAE [1,1,0,0,0,0|1,0,0]=3 2041 B8R1.8 N#CCc1cccs1 1P002KFF [1,1,0,0,0,0|1,1,0]=4 2042 B8R1.8 N#CCc1ncco1 1P0050ZU [1,1,0,0,0,0|2,0,0]=4 2043 B8R1.8 NCCc1ccc[nH]1 1P003F9F [1,1,0,0,0,0|2,0,0]=4 2044 B8R1.8 NCCc1ccco1 1P003HT8 [1,1,0,0,0,0|1,0,0]=3 2045 B8R1.8 NCCc1ccco1 1P00J3S8 [1,1,0,0,0,0|1,0,0]=3 2046 B8R1.8 NCCc1cccs1 1P0030KO [1,1,0,0,0,0|1,1,0]=4 2047 B8R1.8 NCCc1ccno1 1P01BRWE [1,1,0,0,0,0|2,0,0]=4 2048 B8R1.8 NCCc1ccno1 1P0286ZF [1,1,0,0,0,0|2,0,0]=4 2049 B8R1.8 NCCc1ncco1 1P0284E7 [1,1,0,0,0,0|2,0,0]=4 2050 B8R1.8 NCCc1ocnc1 1P028E9Y [1,1,0,0,0,0|2,0,0]=4 2051 B8R1.8 NNCc1cccs1 1P00J317 [1,1,0,0,0,0|1,1,0]=4 2052 B8R1.8 NOCc1cccs1 1P01P0SG [1,1,0,0,0,0|0,1,0]=3 2053 B8R1.8 O=C=Nc1ccco1 1P005XGA [1,1,0,0,0,0|0,0,2]=4 2054 B8R1.8 O=CCc1cccs1 1P00AD6S [1,1,0,0,0,0|0,1,1]=4 2055 B8R1.8 OCCc1cc[nH]n1 1P00CLE0 [1,1,0,0,0,0|2,0,0]=4 2056 B8R1.8 OCCc1ccc[nH]1 1P006ZXJ [1,1,0,0,0,0|1,0,0]=3 2057 B8R1.8 OCCc1ccco1 1P00BZB3 [1,1,0,0,0,0|0,0,0]=2 2058 B8R1.8 OCCc1cccs1 1P0033WO [1,1,0,0,0,0|0,1,0]=3 2059 B8R1.8 OCCc1ccsn1 1P0290FH [1,1,0,0,0,0|2,0,0]=4 2060 B8R1.8 OCCc1cnc[nH]1 1P0022DH [1,1,0,0,0,0|2,0,0]=4 2061 B8R1.8 OCCc1cnc[nH]1 1P004IMT [1,1,0,0,0,0|2,0,0]=4 2062 B8R1.8 OCCc1cnco1 1P028VU5 [1,1,0,0,0,0|1,0,0]=3 2063 B8R1.8 OCCc1cncs1 1P01B9DR [1,1,0,0,0,0|1,1,0]=4 2064 B8R1.8 OCCc1cocc1 1P0037R8 [1,1,0,0,0,0|2,0,0]=4 2065 B8R1.8 OCCc1cscc1 1P0014C9 [1,1,0,0,0,0|2,0,0]=4 2066 B8R1.8 OCCc1cscn1 1P028C5K [1,1,0,0,0,0|2,0,0]=4 2067 B8R1.8 OCCc1ncc[nH]1 1P003F8Q [1,1,0,0,0,0|2,0,0]=4 2068 B8R1.8 OCCc1ncc[nH]1 1P0281JM [1,1,0,0,0,0|2,0,0]=4 2069 B8R1.8 OCCc1ncco1 1P02817S [1,1,0,0,0,0|1,0,0]=3 2070 B8R1.8 OCCc1nccs1 1P0040AO [1,1,0,0,0,0|1,1,0]=4 2071 B8R1.8 OCCn1cccc1 1P003DBI [1,1,0,0,0,0|2,0,0]=4 2072 B8R1.8 OCCn1cccn1 1P0033B0 [1,1,0,0,0,0|2,0,0]=4 2073 B8R1.8 ON=Cc1cccs1 1P002ZKS [1,1,0,0,0,0|0,1,1]=4 2074 B8R1.8 O\N=C\c1ccc[nH]1 1P003UJT [1,1,0,0,0,0|1,0,1]=4 2075 B8R1.8 SCCc1ccco1 1P01HNHQ [1,1,0,0,0,0|0,1,0]=3 2076 B8R1.8 SCCc1cccs1 1P01HCS8 [1,1,0,0,0,0|0,2,0]=4 2077 B8R1.8 [C-]#[N+]Cc1cccs1 1P028JRQ [1,1,0,0,0,0|1,1,0]=4 2078 B8R1.11 C#Cc1occc1Br 1P0283SO [1,1,0,0,0,0|1,0,1]=4 2079 B8R1.11 CCc1ocnc1I 1P028UDH [1,1,0,0,0,0|2,0,0]=4 2080 B8R1.11 CCc1oncc1N 1P01B9EE [1,1,0,0,0,0|2,0,0]=4 2081 B8R1.11 Cc1c[nH]nc1CO 1P01BH3L [1,1,0,0,0,0|2,0,0]=4 2082 B8R1.11 Cc1cnoc1CO 1P01UOB5 [1,1,0,0,0,0|1,0,0]=3 2083 B8R1.11 Cc1conc1CO 1P01BVDX [1,1,0,0,0,0|2,0,0]=4 2084 B8R1.11 Cc1cscc1CO 1P01ANQF [1,1,0,0,0,0|2,0,0]=4 2085 B8R1.11 Cc1csnc1CO 1P028AK7 [1,1,0,0,0,0|2,0,0]=4 2086 B8R1.11 Cc1nc[nH]c1CO 1P002ZFD [1,1,0,0,0,0|2,0,0]=4 2087 B8R1.11 Cc1nc[nH]c1CO 1P003M7Q [1,1,0,0,0,0|2,0,0]=4 2088 B8R1.11 Cc1ncoc1CCl 1P00DLW6 [1,1,0,0,0,0|2,0,0]=4 2089 B8R1.11 Cc1ncoc1CCl 1P021N13 [1,1,0,0,0,0|2,0,0]=4 2090 B8R1.11 Cc1ncoc1CN 1P01AM79 [1,1,0,0,0,0|2,0,0]=4 2091 B8R1.11 Cc1ncoc1CN 1P01EIJH [1,1,0,0,0,0|2,0,0]=4 2092 B8R1.11 Cc1ncoc1CO 1P003M63 [1,1,0,0,0,0|1,0,0]=3 2093 B8R1.11 Cc1ncsc1CO 1P002BFI [1,1,0,0,0,0|1,1,0]=4 2094 B8R1.11 Cc1occc1CO 1P003IP1 [1,1,0,0,0,0|2,0,0]=4 2095 B8R1.11 Cc1ocnc1CO 1P00GW29 [1,1,0,0,0,0|2,0,0]=4 2096 B8R1.11 Cc1scnc1CO 1P004N28 [1,1,0,0,0,0|2,0,0]=4 2097 B8R1.11 Cc1scnc1CO 1P00J30A [1,1,0,0,0,0|2,0,0]=4 2098 B8R1.11 ClCc1sccc1Br 1P00FGO5 [1,1,0,0,0,0|1,1,0]=4 2099 B8R1.11 ClCc1sccc1Cl 1P01BFZ0 [1,1,0,0,0,0|1,1,0]=4 2100 B8R1.11 ClCc1sccc1I 1P01RLGG [1,1,0,0,0,0|1,1,0]=4 2101 B8R1.11 Cn1cncc1CO 1P0077J0 [1,1,0,0,0,0|2,0,0]=4 2102 B8R1.11 Cn1nccc1CO 1P008I3U [1,1,0,0,0,0|2,0,0]=4 2103 B8R1.11 N#Cc1occc1Br 1P01DXMQ [1,1,0,0,0,0|1,0,1]=4 2104 B8R1.11 NCc1cccn1C 1P00FBQ5 [1,1,0,0,0,0|2,0,0]=4 2105 B8R1.11 NCc1cccn1C 1P01DL4E [1,1,0,0,0,0|2,0,0]=4 2106 B8R1.11 NCc1occc1C 1P00CM1P [1,1,0,0,0,0|1,0,0]=3 2107 B8R1.11 NCc1sccc1Br 1P0055YI [1,1,0,0,0,0|1,1,0]=4 2108 B8R1.11 NCc1sccc1C 1P003C9G [1,1,0,0,0,0|1,1,0]=4 2109 B8R1.11 NCc1sccc1C 1P00HBEG [1,1,0,0,0,0|1,1,0]=4 2110 B8R1.11 NCc1sccc1Cl 1P00BK1B [1,1,0,0,0,0|1,1,0]=4 2111 B8R1.11 NCc1sccc1Cl 1P00ILE2 [1,1,0,0,0,0|1,1,0]=4 2112 B8R1.11 NCc1sccc1I 1P028CQW [1,1,0,0,0,0|1,1,0]=4 2113 B8R1.11 O=Cc1occc1Br 1P006VJD [1,1,0,0,0,0|0,0,2]=4 2114 B8R1.11 O=Cc1occc1F 1P01DTUB [1,1,0,0,0,0|0,0,2]=4 2115 B8R1.11 OCc1ccsc1Br 1P005X2K [1,1,0,0,0,0|2,0,0]=4 2116 B8R1.11 OCc1ccsc1Cl 1P0085TY [1,1,0,0,0,0|2,0,0]=4 2117 B8R1.11 OCc1cscc1Br 1P005KWB [1,1,0,0,0,0|2,0,0]=4 2118 B8R1.11 OCc1cscc1Cl 1P028IAN [1,1,0,0,0,0|2,0,0]=4 2119 B8R1.11 OCc1cscc1F 1P028BZ7 [1,1,0,0,0,0|2,0,0]=4 2120 B8R1.11 OCc1n[nH]cc1Br 1P01DLB8 [1,1,0,0,0,0|2,0,0]=4 2121 B8R1.11 OCc1n[nH]cc1O 1P028RDN [1,1,0,0,0,0|2,0,0]=4 2122 B8R1.11 OCc1nccn1C 1P001ZA4 [1,1,0,0,0,0|2,0,0]=4 2123 B8R1.11 OCc1nccn1C 1P01A20A [1,1,0,0,0,0|2,0,0]=4 2124 B8R1.11 OCc1ncsc1Br 1P01C4HA [1,1,0,0,0,0|2,0,0]=4 2125 B8R1.11 OCc1nocc1Br 1P0280V7 [1,1,0,0,0,0|2,0,0]=4 2126 B8R1.11 OCc1nocc1Cl 1P0282H2 [1,1,0,0,0,0|2,0,0]=4 2127 B8R1.11 OCc1occc1C 1P00C2AP [1,1,0,0,0,0|0,0,0]=2 2128 B8R1.11 OCc1oncc1Br 1P0293A7 [1,1,0,0,0,0|1,0,0]=3 2129 B8R1.11 OCc1sccc1Br 1P00FBQ7 [1,1,0,0,0,0|0,1,0]=3 2130 B8R1.11 OCc1sccc1C 1P00EJFD [1,1,0,0,0,0|0,1,0]=3 2131 B8R1.11 OCc1sccc1Cl 1P00BBN8 [1,1,0,0,0,0|0,1,0]=3 2132 B8R1.11 OCc1sccc1N 1P00AC6X [1,1,0,0,0,0|0,1,0]=3 2133 B8R1.11 OCc1scnc1Br 1P002SVS [1,1,0,0,0,0|1,1,0]=4 2134 B8R1.11 OCc1scnc1Cl 1P0008BK [1,1,0,0,0,0|1,1,0]=4 2135 B8R1.11 OCc1sncc1Br 1P01C71R [1,1,0,0,0,0|1,1,0]=4 2136 B8R1.11 OCc1sncc1I 1P028WSY [1,1,0,0,0,0|1,1,0]=4 2137 B8R1.11 SCc1occc1C 1P01EJ9G [1,1,0,0,0,0|0,1,0]=3 2138 B8R1.11 [O-]Cc1cccn1C 1P00DAW6 [1,1,0,0,0,0|1,0,1]=4 2139 B8R1.18 Brc1oc(c(n1)C)C 1P000LYQ [1,1,0,0,0,0|2,0,0]=4 2140 B8R1.18 Brc1sc(c(c1)Br)C 1P002YT7 [1,1,0,0,0,0|1,1,0]=4 2141 B8R1.18 C=C1OC(=O)C(=C1)C 1P01GOIN [1,1,0,0,0,0|0,0,2]=4 2142 B8R1.18 CC1=CC(=O)C(O1)C 1P001J8M [1,1,0,0,0,0|0,0,1]=3 2143 B8R1.18 Cc1[nH]c(c(n1)Br)C 1P00J2KK [1,1,0,0,0,0|2,0,0]=4 2144 B8R1.18 Cc1[nH]c(c(n1)C)C 1P0056FW [1,1,0,0,0,0|2,0,0]=4 2145 B8R1.18 Cc1[nH]c(c(n1)C)C 1P01BURG [1,1,0,0,0,0|2,0,0]=4 2146 B8R1.18 Cc1[nH]c(c(n1)C)I 1P01NWJN [1,1,0,0,0,0|2,0,0]=4 2147 B8R1.18 Cc1[nH]n(c(=O)c1)C 1P00CJAK [1,1,0,0,0,0|2,0,0]=4 2148 B8R1.18 Cc1cc(n(n1)C)C 1P003DXC [1,1,0,0,0,0|2,0,0]=4 2149 B8R1.18 Cc1nc(n(c1)C)C 1P01G67B [1,1,0,0,0,0|2,0,0]=4 2150 B8R1.18 Cc1nn(c(c1)Br)C 1P001U78 [1,1,0,0,0,0|2,0,0]=4 2151 B8R1.18 Cc1nn(c(c1)Br)C 1P00EA5Q [1,1,0,0,0,0|2,0,0]=4 2152 B8R1.18 Cc1nn(c(c1)Cl)C 1P003N2B [1,1,0,0,0,0|2,0,0]=4 2153 B8R1.18 Cc1nn(c(c1)F)C 1P00JGO9 [1,1,0,0,0,0|2,0,0]=4 2154 B8R1.18 Cc1nn(c(c1)I)C 1P00GQDO [1,1,0,0,0,0|2,0,0]=4 2155 B8R1.18 Cc1nn(c(c1)N)C 1P007FCA [1,1,0,0,0,0|2,0,0]=4 2156 B8R1.18 Cc1nn(c(c1)O)C 1P00DESB [1,1,0,0,0,0|2,0,0]=4 2157 B8R1.18 Cc1oc(=O)oc1C 1P003KYY [1,1,0,0,0,0|1,0,1]=4 2158 B8R1.18 Cc1oc(c(c1)S)C 1P003GGM [1,1,0,0,0,0|0,0,0]=2 2159 B8R1.18 Cc1oc(c(n1)C)Br 1P00AO3C [1,1,0,0,0,0|2,0,0]=4 2160 B8R1.18 Cc1oc(c(n1)C)C 1P002J26 [1,1,0,0,0,0|1,0,0]=3 2161 B8R1.18 Cc1sc(c(c1)Br)Br 1P027YNY [1,1,0,0,0,0|1,1,0]=4 2162 B8R1.18 Cc1sc(c(c1)Br)C 1P007IW4 [1,1,0,0,0,0|0,1,0]=3 2163 B8R1.18 Cc1sc(c(c1)C)Br 1P00AOIX [1,1,0,0,0,0|1,1,0]=4 2164 B8R1.18 Cc1sc(c(c1)C)C 1P0027I0 [1,1,0,0,0,0|0,1,0]=3 2165 B8R1.18 Cc1sc(c(c1)C)S 1P01C7O2 [1,1,0,0,0,0|0,2,0]=4 2166 B8R1.18 Cc1sc(c(c1)I)C 1P0074HW [1,1,0,0,0,0|0,1,0]=3 2167 B8R1.18 Cc1sc(c(c1)N)C 1P01EIGM [1,1,0,0,0,0|0,1,0]=3 2168 B8R1.18 Cc1sc(c(c1)S)C 1P0201CP [1,1,0,0,0,0|0,1,0]=3 2169 B8R1.18 Cc1sc(c(n1)Br)C 1P00IGPX [1,1,0,0,0,0|1,1,0]=4 2170 B8R1.18 Cc1sc(c(n1)C)Br 1P002WA1 [1,1,0,0,0,0|2,0,0]=4 2171 B8R1.18 Cc1sc(c(n1)C)C 1P003BKT [1,1,0,0,0,0|1,1,0]=4 2172 B8R1.18 Cc1sc(c(n1)C)N 1P00G5DE [1,1,0,0,0,0|2,0,0]=4 2173 B8R1.18 Cc1sc(c(n1)C)N 1P01BJU5 [1,1,0,0,0,0|2,0,0]=4 2174 B8R1.18 Cc1sc(c(n1)I)C 1P027XKD [1,1,0,0,0,0|1,1,0]=4 2175 B8R1.18 Clc1cc(c(s1)C)Br 1P01XCER [1,1,0,0,0,0|1,1,0]=4 2176 B8R1.18 Clc1nc(c(o1)C)I 1P02936H [1,1,0,0,0,0|2,0,0]=4 2177 B8R1.18 Clc1oc(c(n1)C)C 1P028JBS [1,1,0,0,0,0|2,0,0]=4 2178 B8R1.18 Cn1cc(c(n1)C)Br 1P0034DQ [1,1,0,0,0,0|2,0,0]=4 2179 B8R1.18 Cn1cc(c(n1)C)Br 1P01AV8V [1,1,0,0,0,0|2,0,0]=4 2180 B8R1.18 Cn1cc(c(n1)C)Cl 1P001RBT [1,1,0,0,0,0|2,0,0]=4 2181 B8R1.18 Cn1cc(c(n1)C)I 1P00FGTF [1,1,0,0,0,0|2,0,0]=4 2182 B8R1.18 Cn1cc(c(n1)C)N 1P000FKM [1,1,0,0,0,0|2,0,0]=4 2183 B8R1.18 Cn1cc(c(n1)C)N 1P002B95 [1,1,0,0,0,0|2,0,0]=4 2184 B8R1.18 Cn1cc(c(n1)C)N 1P00EAL2 [1,1,0,0,0,0|2,0,0]=4 2185 B8R1.18 Cn1cc(c(n1)C)O 1P00IEAZ [1,1,0,0,0,0|2,0,0]=4 2186 B8R1.18 Cn1cc(c(n1)C)S 1P01XIDW [1,1,0,0,0,0|2,0,0]=4 2187 B8R1.18 Cn1cc(c(n1)O)C 1P028Z4Z [1,1,0,0,0,0|2,0,0]=4 2188 B8R1.18 Cn1cc(c(n1)O)I 1P023JA1 [1,1,0,0,0,0|2,0,0]=4 2189 B8R1.18 Cn1cc(c(n1)O)N 1P028XVF [1,1,0,0,0,0|2,0,0]=4 2190 B8R1.18 Cn1cc(c(n1)O)N 1P028YVQ [1,1,0,0,0,0|2,0,0]=4 2191 B8R1.18 Cn1oc(=O)cc1N 1P007DD6 [1,1,0,0,0,0|1,0,1]=4 2192 B8R1.18 Ic1oc(c(n1)I)C 1P028ZVU [1,1,0,0,0,0|2,0,0]=4 2193 B8R1.18 Ic1sc(c(c1)C)C 1P028YU4 [1,1,0,0,0,0|1,1,0]=4 2194 B8R1.18 Nc1oc(c(n1)C)C 1P00DL9F [1,1,0,0,0,0|2,0,0]=4 2195 B8R1.18 Nc1oc(c(n1)C)C 1P00J2FK [1,1,0,0,0,0|2,0,0]=4 2196 B8R1.18 O=C1C=C(C(=O)O1)Br 1P00ED1C [1,1,0,0,0,0|1,0,1]=4 2197 B8R1.18 O=C1C=C(C(=O)O1)C 1P003530 [1,1,0,0,0,0|1,0,1]=4 2198 B8R1.18 O=C1C=C(C(O1)O)C 1P0037PL [1,1,0,0,0,0|1,0,1]=4 2199 B8R1.18 O=C1C=C(C(O1)O)Cl 1P01ENI6 [1,1,0,0,0,0|1,0,1]=4 2200 B8R1.18 O=c1[nH]c(c(o1)C)C 1P00J30T [1,1,0,0,0,0|1,0,1]=4 2201 B8R1.18 OC1OC(=O)C(=C1)C 1P01BXVO [1,1,0,0,0,0|1,0,1]=4 2202 B8R1.18 Oc1cc(c(s1)Cl)Br 1P028WS7 [1,1,0,0,0,0|1,1,0]=4 2203 B8R1.18 Oc1nn(c(c1)Cl)C 1P028FP9 [1,1,0,0,0,0|2,0,0]=4 2204 B8R1.18 Oc1nn(c(c1)N)C 1P00IE8P [1,1,0,0,0,0|2,0,0]=4 2205 B8R1.18 Sc1oc(c(n1)C)C 1P00FQ17 [1,1,0,0,0,0|1,1,0]=4 2206 B8R1.50 Brc1c(C)csc1C 1P008MHN [1,1,0,0,0,0|2,0,0]=4 2207 B8R1.50 Cc1[nH]cc(c1C)C 1P00C0Q9 [1,1,0,0,0,0|2,0,0]=4 2208 B8R1.50 Cc1ccc(n1C)C 1P003BGF [1,1,0,0,0,0|1,0,0]=3 2209 B8R1.50 Cc1ccc(n1N)C 1P00GEQ0 [1,1,0,0,0,0|1,0,0]=3 2210 B8R1.50 Cc1ncc(n1C)C 1P01KKYJ [1,1,0,0,0,0|2,0,0]=4 2211 B8R1.50 Nc1c(C)csc1C 1P01DU3J [1,1,0,0,0,0|2,0,0]=4 2212 B8R1.50 Oc1c(C)csc1C 1P028JZZ [1,1,0,0,0,0|2,0,0]=4 2213 B10R1.1 BrCCc1ccc(cc1)C 1P003M90 [0,1,0,0,0,1|2,0,0]=4 2214 B10R1.1 BrCCc1ccc(nc1)C 1P028KLW [0,1,0,0,0,1|2,0,0]=4 2215 B10R1.1 C=CCc1ccc(cc1)C 1P003L3X [0,1,0,0,0,1|2,0,0]=4 2216 B10R1.1 CCNc1ccc(cc1)C 1P003THH [0,1,0,0,0,1|2,0,0]=4 2217 B10R1.1 CCNc1ccc(cc1)C 1P028OAS [0,1,0,0,0,1|2,0,0]=4 2218 B10R1.1 CCNc1ccc(nn1)C 1P01AI4G [0,1,0,0,0,1|2,0,0]=4 2219 B10R1.1 CCOc1ccc(cc1)C 1P00EAI5 [0,1,0,0,0,1|2,0,0]=4 2220 B10R1.1 CCSc1ccc(cc1)C 1P00ELQS [0,1,0,0,0,1|2,0,0]=4 2221 B10R1.1 CNCc1ccc(cc1)C 1P003TNJ [0,1,0,0,0,1|2,0,0]=4 2222 B10R1.1 CNCc1ccc(cc1)C 1P003TON [0,1,0,0,0,1|2,0,0]=4 2223 B10R1.1 CNCc1ccc(cn1)C 1P00HB7L [0,1,0,0,0,1|2,0,0]=4 2224 B10R1.1 CNCc1ccc(nc1)C 1P0293DH [0,1,0,0,0,1|2,0,0]=4 2225 B10R1.1 COCc1ccc(cc1)Br 1P001NU5 [0,1,0,0,0,1|2,0,0]=4 2226 B10R1.1 COCc1ccc(cc1)Cl 1P000POK [0,1,0,0,0,1|2,0,0]=4 2227 B10R1.1 COCc1ccc(cc1)I 1P00H370 [0,1,0,0,0,1|2,0,0]=4 2228 B10R1.1 COCc1ccc(cc1)N 1P003KPL [0,1,0,0,0,1|2,0,0]=4 2229 B10R1.1 COCc1ccc(cc1)O 1P00DG3W [0,1,0,0,0,1|2,0,0]=4 2230 B10R1.1 COCc1ccc(cc1)S 1P019TSN [0,1,0,0,0,1|2,0,0]=4 2231 B10R1.1 COCc1ccc(nc1)Br 1P00FG5J [0,1,0,0,0,1|2,0,0]=4 2232 B10R1.1 COCc1ccc(nc1)Cl 1P0005JV [0,1,0,0,0,1|2,0,0]=4 2233 B10R1.1 COCc1ccc(nc1)N 1P028S54 [0,1,0,0,0,1|2,0,0]=4 2234 B10R1.1 Cc1ccc(cc1)C[N+]#[C-] 1P00BZ37 [0,1,0,0,0,1|2,0,0]=4 2235 B10R1.1 Cc1ccc(nn1)C=NO 1P028EBE [0,1,0,0,0,1|1,0,1]=4 2236 B10R1.1 Cc1ccc(nn1)CC#N 1P01A0KU [0,1,0,0,0,1|2,0,0]=4 2237 B10R1.1 Cc1cnc(cn1)CCO 1P01A6ZU [0,1,0,0,0,1|2,0,0]=4 2238 B10R1.1 ClCCc1ccc(cc1)C 1P01AJRP [0,1,0,0,0,1|2,0,0]=4 2239 B10R1.1 ClCSc1ccc(cc1)C 1P003PAW [0,1,0,0,0,1|2,0,0]=4 2240 B10R1.1 N#CCc1ccc(cc1)C 1P002YYR [0,1,0,0,0,1|2,0,0]=4 2241 B10R1.1 N#CCc1ccc(cn1)C 1P00D3WU [0,1,0,0,0,1|2,0,0]=4 2242 B10R1.1 N#CCc1ccc(nc1)C 1P00DFPF [0,1,0,0,0,1|2,0,0]=4 2243 B10R1.1 NCCc1ccc(cc1)C 1P003M91 [0,1,0,0,0,1|2,0,0]=4 2244 B10R1.1 NCCc1ccc(cc1)C 1P00CLFF [0,1,0,0,0,1|2,0,0]=4 2245 B10R1.1 NCCc1ccc(cn1)C 1P00G5VS [0,1,0,0,0,1|2,0,0]=4 2246 B10R1.1 NCCc1ccc(nc1)C 1P006JIH [0,1,0,0,0,1|2,0,0]=4 2247 B10R1.1 NNCc1ccc(cc1)C 1P002SK3 [0,1,0,0,0,1|2,0,0]=4 2248 B10R1.1 NNCc1ccc(cc1)C 1P00912Z [0,1,0,0,0,1|2,0,0]=4 2249 B10R1.1 NNCc1ccc(cc1)C 1P00DAGU [0,1,0,0,0,1|2,0,0]=4 2250 B10R1.1 NOCc1ccc(cc1)Br 1P00CM64 [0,1,0,0,0,1|2,0,0]=4 2251 B10R1.1 NOCc1ccc(cc1)C 1P00C8PR [0,1,0,0,0,1|1,0,0]=3 2252 B10R1.1 NOCc1ccc(cc1)C 1P00G4ZH [0,1,0,0,0,1|1,0,0]=3 2253 B10R1.1 NOCc1ccc(cc1)Cl 1P00C71C [0,1,0,0,0,1|2,0,0]=4 2254 B10R1.1 NOCc1ccc(cc1)Cl 1P00DDLL [0,1,0,0,0,1|2,0,0]=4 2255 B10R1.1 NOCc1ccc(cc1)F 1P0026AQ [0,1,0,0,0,1|2,0,0]=4 2256 B10R1.1 NOCc1ccc(cc1)F 1P00DEWL [0,1,0,0,0,1|2,0,0]=4 2257 B10R1.1 O=CCc1ccc(cc1)C 1P0085DU [0,1,0,0,0,1|1,0,1]=4 2258 B10R1.1 OCCc1ccc(cc1)Br 1P003U0U [0,1,0,0,0,1|2,0,0]=4 2259 B10R1.1 OCCc1ccc(cc1)C 1P003BJ1 [0,1,0,0,0,1|1,0,0]=3 2260 B10R1.1 OCCc1ccc(cc1)Cl 1P003LOE [0,1,0,0,0,1|2,0,0]=4 2261 B10R1.1 OCCc1ccc(cc1)F 1P003FD0 [0,1,0,0,0,1|2,0,0]=4 2262 B10R1.1 OCCc1ccc(cc1)I 1P00DCHR [0,1,0,0,0,1|2,0,0]=4 2263 B10R1.1 OCCc1ccc(cc1)N 1P0038HA [0,1,0,0,0,1|2,0,0]=4 2264 B10R1.1 OCCc1ccc(cc1)O 1P0034J3 [0,1,0,0,0,1|2,0,0]=4 2265 B10R1.1 OCCc1ccc(cn1)Br 1P007Q4U [0,1,0,0,0,1|2,0,0]=4 2266 B10R1.1 OCCc1ccc(cn1)C 1P01C53A [0,1,0,0,0,1|1,0,0]=3 2267 B10R1.1 OCCc1ccc(cn1)N 1P01BBSL [0,1,0,0,0,1|2,0,0]=4 2268 B10R1.1 OCCc1ccc(nc1)Br 1P01KMBY [0,1,0,0,0,1|2,0,0]=4 2269 B10R1.1 OCCc1ccc(nc1)C 1P0001NN [0,1,0,0,0,1|1,0,0]=3 2270 B10R1.1 OCCc1ccc(nc1)Cl 1P0081YG [0,1,0,0,0,1|2,0,0]=4 2271 B10R1.1 OCCc1ccc(nc1)F 1P01DVCR [0,1,0,0,0,1|2,0,0]=4 2272 B10R1.1 OCCc1ccc(nc1)N 1P01BDRP [0,1,0,0,0,1|2,0,0]=4 2273 B10R1.1 ON=Cc1ccc(cn1)C 1P028WKV [0,1,0,0,0,1|1,0,1]=4 2274 B10R1.1 O\N=C\c1ccc(cc1)C 1P00CZRO [0,1,0,0,0,1|1,0,1]=4 2275 B10R1.3 BrCc1ccc(cc1)CBr 1P00IBGY [0,1,0,0,0,1|2,0,0]=4 2276 B10R1.3 BrCc1ccc(cc1)SC 1P003KQ6 [0,1,0,0,0,1|2,0,0]=4 2277 B10R1.3 CCc1ccc(cc1)CBr 1P00EIV6 [0,1,0,0,0,1|2,0,0]=4 2278 B10R1.3 CCc1ccc(cc1)CC 1P003E4Y [0,1,0,0,0,1|2,0,0]=4 2279 B10R1.3 CCc1ccc(cc1)CCl 1P001EPE [0,1,0,0,0,1|2,0,0]=4 2280 B10R1.3 CCc1ccc(cc1)CN 1P005YBW [0,1,0,0,0,1|2,0,0]=4 2281 B10R1.3 CCc1ccc(cc1)CN 1P01BFHV [0,1,0,0,0,1|2,0,0]=4 2282 B10R1.3 CCc1ccc(cc1)CO 1P003LSN [0,1,0,0,0,1|1,0,0]=3 2283 B10R1.3 CCc1ccc(cc1)CS 1P005EKU [0,1,0,0,0,1|1,1,0]=4 2284 B10R1.3 CCc1ccc(cc1)NC 1P0077ZT [0,1,0,0,0,1|2,0,0]=4 2285 B10R1.3 CCc1ccc(cc1)OC 1P001NU2 [0,1,0,0,0,1|2,0,0]=4 2286 B10R1.3 CCc1ccc(nc1)CBr 1P01AMNC [0,1,0,0,0,1|2,0,0]=4 2287 B10R1.3 CCc1ccc(nc1)CN 1P00DD9J [0,1,0,0,0,1|2,0,0]=4 2288 B10R1.3 CCc1ccc(nc1)CO 1P005SKE [0,1,0,0,0,1|1,0,0]=3 2289 B10R1.3 COc1ccc(nc1)CBr 1P01AFT1 [0,1,0,0,0,1|2,0,0]=4 2290 B10R1.3 COc1ccc(nc1)CCl 1P005CNS [0,1,0,0,0,1|2,0,0]=4 2291 B10R1.3 COc1ccc(nc1)CCl 1P00IDPA [0,1,0,0,0,1|2,0,0]=4 2292 B10R1.3 COc1ccc(nc1)CN 1P00H1FD [0,1,0,0,0,1|2,0,0]=4 2293 B10R1.3 COc1ccc(nc1)CO 1P000Y39 [0,1,0,0,0,1|1,0,0]=3 2294 B10R1.3 COc1cnc(nc1)CO 1P001E13 [0,1,0,0,0,1|2,0,0]=4 2295 B10R1.3 COc1ncc(cn1)CO 1P000HH2 [0,1,0,0,0,1|2,0,0]=4 2296 B10R1.3 CSc1ncc(cn1)CO 1P002C3I [0,1,0,0,0,1|2,0,0]=4 2297 B10R1.3 ClCc1ccc(cc1)CCl 1P003VW8 [0,1,0,0,0,1|2,0,0]=4 2298 B10R1.3 ClCc1ccc(cc1)OC 1P0034GS [0,1,0,0,0,1|2,0,0]=4 2299 B10R1.3 ClCc1ccc(cc1)SC 1P003KQ7 [0,1,0,0,0,1|2,0,0]=4 2300 B10R1.3 ClCc1ccc(cn1)CCl 1P005V8I [0,1,0,0,0,1|2,0,0]=4 2301 B10R1.3 ClCc1ccc(nc1)OC 1P0006N6 [0,1,0,0,0,1|2,0,0]=4 2302 B10R1.3 ClCc1ccc(nc1)OC 1P007QU4 [0,1,0,0,0,1|2,0,0]=4 2303 B10R1.3 ClCc1ccc(nn1)OC 1P00D784 [0,1,0,0,0,1|2,0,0]=4 2304 B10R1.3 FCc1ccc(cc1)CCl 1P01A59L [0,1,0,0,0,1|2,0,0]=4 2305 B10R1.3 NCc1ccc(cc1)CN 1P003609 [0,1,0,0,0,1|2,0,0]=4 2306 B10R1.3 NCc1ccc(cc1)CN 1P01K1UV [0,1,0,0,0,1|2,0,0]=4 2307 B10R1.3 NCc1ccc(cc1)CO 1P007G80 [0,1,0,0,0,1|1,0,0]=3 2308 B10R1.3 NCc1ccc(cc1)CO 1P00BZEH [0,1,0,0,0,1|1,0,0]=3 2309 B10R1.3 NCc1ccc(cc1)NC 1P002PQV [0,1,0,0,0,1|2,0,0]=4 2310 B10R1.3 NCc1ccc(cc1)OC 1P0034K4 [0,1,0,0,0,1|2,0,0]=4 2311 B10R1.3 NCc1ccc(cc1)SC 1P005A49 [0,1,0,0,0,1|2,0,0]=4 2312 B10R1.3 NCc1ccc(cc1)SC 1P01AGHO [0,1,0,0,0,1|2,0,0]=4 2313 B10R1.3 NCc1ccc(nc1)NC 1P01XD8P [0,1,0,0,0,1|2,0,0]=4 2314 B10R1.3 NCc1ccc(nc1)OC 1P001YWQ [0,1,0,0,0,1|2,0,0]=4 2315 B10R1.3 NCc1ccc(nc1)OC 1P002STY [0,1,0,0,0,1|2,0,0]=4 2316 B10R1.3 NCc1ccc(nc1)OC 1P00G8P2 [0,1,0,0,0,1|2,0,0]=4 2317 B10R1.3 NCc1ccc(nc1)SC 1P028GV7 [0,1,0,0,0,1|2,0,0]=4 2318 B10R1.3 NCc1ccc(nn1)OC 1P00IIOH [0,1,0,0,0,1|2,0,0]=4 2319 B10R1.3 OCc1ccc(cc1)C#C 1P003CCE [0,1,0,0,0,1|1,0,1]=4 2320 B10R1.3 OCc1ccc(cc1)C#N 1P0034A3 [0,1,0,0,0,1|1,0,1]=4 2321 B10R1.3 OCc1ccc(cc1)C=C 1P008RJO [0,1,0,0,0,1|1,0,1]=4 2322 B10R1.3 OCc1ccc(cc1)C=O 1P0037SP [0,1,0,0,0,1|1,0,1]=4 2323 B10R1.3 OCc1ccc(cc1)CBr 1P00FBSL [0,1,0,0,0,1|1,0,0]=3 2324 B10R1.3 OCc1ccc(cc1)CCl 1P001VJ8 [0,1,0,0,0,1|1,0,0]=3 2325 B10R1.3 OCc1ccc(cc1)CF 1P01B2RM [0,1,0,0,0,1|1,0,0]=3 2326 B10R1.3 OCc1ccc(cc1)CO 1P00332W [0,1,0,0,0,1|1,0,0]=3 2327 B10R1.3 OCc1ccc(cc1)CS 1P029287 [0,1,0,0,0,1|1,0,0]=3 2328 B10R1.3 OCc1ccc(cc1)NC 1P0023LP [0,1,0,0,0,1|1,0,0]=3 2329 B10R1.3 OCc1ccc(cc1)OC 1P0034K6 [0,1,0,0,0,1|1,0,0]=3 2330 B10R1.3 OCc1ccc(cc1)SC 1P003KQ5 [0,1,0,0,0,1|1,0,0]=3 2331 B10R1.3 OCc1ccc(cn1)C#C 1P01AG9Q [0,1,0,0,0,1|1,0,1]=4 2332 B10R1.3 OCc1ccc(cn1)C#N 1P0037UI [0,1,0,0,0,1|1,0,1]=4 2333 B10R1.3 OCc1ccc(cn1)CO 1P00C4SI [0,1,0,0,0,1|1,0,0]=3 2334 B10R1.3 OCc1ccc(nc1)C#C 1P01XH7A [0,1,0,0,0,1|1,0,1]=4 2335 B10R1.3 OCc1ccc(nc1)C#N 1P00ED77 [0,1,0,0,0,1|1,0,1]=4 2336 B10R1.3 OCc1ccc(nc1)C=O 1P00CNTZ [0,1,0,0,0,1|1,0,1]=4 2337 B10R1.3 OCc1ccc(nc1)CC 1P00E72Y [0,1,0,0,0,1|1,0,0]=3 2338 B10R1.3 OCc1ccc(nc1)OC 1P00EGIB [0,1,0,0,0,1|1,0,0]=3 2339 B10R1.3 OCc1ccc(nn1)OC 1P0087NE [0,1,0,0,0,1|1,0,0]=3 2340 B10R1.3 OCc1ncc(nc1)OC 1P00FCQM [0,1,0,0,0,1|2,0,0]=4 2341 B10R1.3 SCc1ccc(cc1)CS 1P003E2Z [0,1,0,0,0,1|1,1,0]=4 2342 B10R1.3 SCc1ccc(cc1)OC 1P0037H9 [0,1,0,0,0,1|1,1,0]=4 2343 B10R1.3 SCc1ccc(cc1)SC 1P01BH7V [0,1,0,0,0,1|1,1,0]=4 2344 B10R1.13 Brc1ccc(cn1)C(O)C 1P00A6BK [0,1,0,0,0,1|2,0,0]=4 2345 B10R1.13 Brc1ccc(cn1)[C@@H](O)C 1P028HPX [0,1,0,0,0,1|2,0,0]=4 2346 B10R1.13 Brc1ccc(nc1)C(O)C 1P001RLP [0,1,0,0,0,1|2,0,0]=4 2347 B10R1.13 Brc1ccc(nc1)[C@@H](O)C 1P00K74A [0,1,0,0,0,1|2,0,0]=4 2348 B10R1.13 Brc1ccc(nc1)[C@H](O)C 1P01XA6D [0,1,0,0,0,1|2,0,0]=4 2349 B10R1.13 CC(c1ccc(cc1)Br)O 1P003DF9 [0,1,0,0,0,1|2,0,0]=4 2350 B10R1.13 CC(c1ccc(cc1)Cl)O 1P003DFQ [0,1,0,0,0,1|2,0,0]=4 2351 B10R1.13 CC(c1ccc(cc1)F)O 1P003DGC [0,1,0,0,0,1|2,0,0]=4 2352 B10R1.13 CC(c1ccc(cc1)I)O 1P00DZFM [0,1,0,0,0,1|2,0,0]=4 2353 B10R1.13 CC(c1ccc(cc1)N)O 1P001DTE [0,1,0,0,0,1|2,0,0]=4 2354 B10R1.13 CC(c1ccc(cc1)S)O 1P01BD1Q [0,1,0,0,0,1|2,0,0]=4 2355 B10R1.13 CC1=CC=C(CC1)C(C)C 1P00IKO6 [0,1,0,0,0,1|2,0,0]=4 2356 B10R1.13 C[C@@H](c1ccc(cc1)Br)O 1P0003B7 [0,1,0,0,0,1|2,0,0]=4 2357 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O 1P003D38 [0,1,0,0,0,1|2,0,0]=4 2358 B10R1.13 C[C@@H](c1ccc(cc1)F)O 1P0004GE [0,1,0,0,0,1|2,0,0]=4 2359 B10R1.13 C[C@@H](c1ccc(cc1)I)O 1P01AH65 [0,1,0,0,0,1|2,0,0]=4 2360 B10R1.13 C[C@@H](c1ccc(cc1)N)O 1P01A474 [0,1,0,0,0,1|2,0,0]=4 2361 B10R1.13 C[C@H](c1ccc(cc1)Br)O 1P003CQX [0,1,0,0,0,1|2,0,0]=4 2362 B10R1.13 C[C@H](c1ccc(cc1)Cl)O 1P003CQY [0,1,0,0,0,1|2,0,0]=4 2363 B10R1.13 C[C@H](c1ccc(cc1)F)O 1P0004GH [0,1,0,0,0,1|2,0,0]=4 2364 B10R1.13 C[C@H](c1ccc(cc1)I)O 1P01AAE3 [0,1,0,0,0,1|2,0,0]=4 2365 B10R1.13 C[C@H](c1ccc(cc1)N)O 1P01A4RA [0,1,0,0,0,1|2,0,0]=4 2366 B10R1.13 Cc1ccc(cc1)C(Br)C 1P00VUTW [0,1,0,0,0,1|2,0,0]=4 2367 B10R1.13 Cc1ccc(cc1)C(C)C 1P003564 [0,1,0,0,0,1|2,0,0]=4 2368 B10R1.13 Cc1ccc(cc1)C(C)C 1P00IKVY [0,1,0,0,0,1|2,0,0]=4 2369 B10R1.13 Cc1ccc(cc1)C(Cl)C 1P028YLR [0,1,0,0,0,1|2,0,0]=4 2370 B10R1.13 Cc1ccc(cc1)C(N)C 1P0032ZG [0,1,0,0,0,1|2,0,0]=4 2371 B10R1.13 Cc1ccc(cc1)C(O)C 1P003DHB [0,1,0,0,0,1|1,0,0]=3 2372 B10R1.13 Cc1ccc(cc1)S(=O)O 1P001REW [0,1,0,0,0,1|2,0,0]=4 2373 B10R1.13 Cc1ccc(cc1)S(=O)O 1P00IA0Y [0,1,0,0,0,1|2,0,0]=4 2374 B10R1.13 Cc1ccc(cc1)[C@@H](N)C 1P003CTT [0,1,0,0,0,1|2,0,0]=4 2375 B10R1.13 Cc1ccc(cc1)[C@@H](N)C 1P00G7UO [0,1,0,0,0,1|2,0,0]=4 2376 B10R1.13 Cc1ccc(cc1)[C@@H](O)C 1P00DA1A [0,1,0,0,0,1|1,0,0]=3 2377 B10R1.13 Cc1ccc(cc1)[C@H](N)C 1P0032V0 [0,1,0,0,0,1|2,0,0]=4 2378 B10R1.13 Cc1ccc(cc1)[C@H](N)C 1P00CJ86 [0,1,0,0,0,1|2,0,0]=4 2379 B10R1.13 Cc1ccc(cc1)[C@H](O)C 1P00C0M3 [0,1,0,0,0,1|1,0,0]=3 2380 B10R1.13 Cc1ccc(cn1)B(O)O 1P003ICT [0,1,0,0,0,1|2,0,0]=4 2381 B10R1.13 Cc1ccc(cn1)B(O)O 1P00IMZ9 [0,1,0,0,0,1|2,0,0]=4 2382 B10R1.13 Cc1ccc(cn1)C(=O)O 1P007HIP [0,1,0,0,0,1|1,0,1]=4 2383 B10R1.13 Cc1ccc(cn1)C(C)C 1P01ADK0 [0,1,0,0,0,1|2,0,0]=4 2384 B10R1.13 Cc1ccc(cn1)C(N)C 1P006LP4 [0,1,0,0,0,1|2,0,0]=4 2385 B10R1.13 Cc1ccc(cn1)C(O)C 1P0001NO [0,1,0,0,0,1|1,0,0]=3 2386 B10R1.13 Cc1ccc(cn1)[C@@H](N)C 1P00BJS2 [0,1,0,0,0,1|2,0,0]=4 2387 B10R1.13 Cc1ccc(cn1)[C@@H](N)C 1P024G2C [0,1,0,0,0,1|2,0,0]=4 2388 B10R1.13 Cc1ccc(nc1)B(O)O 1P003ND4 [0,1,0,0,0,1|2,0,0]=4 2389 B10R1.13 Cc1ccc(nc1)C(=O)O 1P0025QJ [0,1,0,0,0,1|1,0,1]=4 2390 B10R1.13 Cc1ccc(nc1)C(=O)O 1P0038BJ [0,1,0,0,0,1|1,0,1]=4 2391 B10R1.13 Cc1ccc(nc1)C(N)C 1P0046CL [0,1,0,0,0,1|2,0,0]=4 2392 B10R1.13 Cc1ccc(nc1)C(N)C 1P008XPV [0,1,0,0,0,1|2,0,0]=4 2393 B10R1.13 Cc1ccc(nc1)C(O)C 1P00ICNQ [0,1,0,0,0,1|1,0,0]=3 2394 B10R1.13 Cc1ccc(nn1)C(=O)O 1P003NRM [0,1,0,0,0,1|1,0,1]=4 2395 B10R1.13 Clc1ccc(cn1)C(O)C 1P00C3HJ [0,1,0,0,0,1|2,0,0]=4 2396 B10R1.13 Clc1ccc(nc1)C(O)C 1P01B4TW [0,1,0,0,0,1|2,0,0]=4 2397 B10R1.13 Clc1ccc(nc1)[C@@H](O)C 1P01AGOI [0,1,0,0,0,1|2,0,0]=4 2398 B10R1.13 Clc1ccc(nc1)[C@H](O)C 1P01AGOS [0,1,0,0,0,1|2,0,0]=4 2399 B10R1.13 FC(c1ccc(cc1)C)F 1P01CAO3 [0,1,0,0,0,1|2,0,0]=4 2400 B10R1.13 Fc1ccc(cn1)C(O)C 1P0096DG [0,1,0,0,0,1|2,0,0]=4 2401 B10R1.13 Fc1ccc(nc1)C(O)C 1P01BAHP [0,1,0,0,0,1|2,0,0]=4 2402 B10R1.13 Fc1ccc(nc1)[C@@H](O)C 1P01C38P [0,1,0,0,0,1|2,0,0]=4 2403 B10R1.13 Fc1ccc(nc1)[C@H](O)C 1P01C38M [0,1,0,0,0,1|2,0,0]=4 2404 B10R1.13 O=c1ccc(co1)C(=O)O 1P006X98 [0,1,0,0,0,1|1,0,1]=4 2405 B10R1.13 OB(c1ccc(cc1)C)O 1P0034M9 [0,1,0,0,0,1|2,0,0]=4 2406 B10R1.13 OC(=O)c1ccc(cc1)C 1P003MJ8 [0,1,0,0,0,1|1,0,1]=4 2407 B10R1.13 Oc1ccc(cc1)C(O)C 1P00BCJG [0,1,0,0,0,1|2,0,0]=4 2408 B10R1.13 Oc1ccc(cc1)[C@@H](O)C 1P01AV7H [0,1,0,0,0,1|2,0,0]=4 2409 B10R1.13 Oc1ccc(cc1)[C@H](O)C 1P01AV7P [0,1,0,0,0,1|2,0,0]=4 2410 B10R1.25 BrCc1ccc(cc1Br)C 1P01ANRE [0,1,0,0,0,1|2,0,0]=4 2411 B10R1.25 BrCc1ccc(cc1C)C 1P008O40 [0,1,0,0,0,1|2,0,0]=4 2412 B10R1.25 BrCc1ccc(cc1Cl)C 1P01B2LR [0,1,0,0,0,1|2,0,0]=4 2413 B10R1.25 BrCc1ccc(cc1F)C 1P003HQ8 [0,1,0,0,0,1|2,0,0]=4 2414 B10R1.25 CCc1ccc(cc1C)C 1P003LSU [0,1,0,0,0,1|2,0,0]=4 2415 B10R1.25 CCc1ccc(cc1N)C 1P01I5UF [0,1,0,0,0,1|2,0,0]=4 2416 B10R1.25 CCc1ccc(cc1O)C 1P001YOX [0,1,0,0,0,1|2,0,0]=4 2417 B10R1.25 CCc1ccc(nc1N)C 1P003GU7 [0,1,0,0,0,1|2,0,0]=4 2418 B10R1.25 CCc1cnc(cc1Br)C 1P0068JY [0,1,0,0,0,1|2,0,0]=4 2419 B10R1.25 CCc1ncc(cc1C)C 1P007TY5 [0,1,0,0,0,1|2,0,0]=4 2420 B10R1.25 COc1coc(cc1=O)C 1P01BUMZ [0,1,0,0,0,1|2,0,0]=4 2421 B10R1.25 Cc1cc(=O)c(n[nH]1)CO 1P01A4WD [0,1,0,0,0,1|1,0,0]=3 2422 B10R1.25 Cc1cc(Br)c(cn1)CBr 1P0283QT [0,1,0,0,0,1|2,0,0]=4 2423 B10R1.25 Cc1cc(Br)c(cn1)CO 1P027WJN [0,1,0,0,0,1|1,0,0]=3 2424 B10R1.25 Cc1cc(C)ncc1CBr 1P0284LN [0,1,0,0,0,1|2,0,0]=4 2425 B10R1.25 Cc1cc(C)ncc1CCl 1P028DZR [0,1,0,0,0,1|2,0,0]=4 2426 B10R1.25 Cc1cc(C)ncc1CN 1P01C2CD [0,1,0,0,0,1|2,0,0]=4 2427 B10R1.25 Cc1cc(C)ncc1CO 1P028HQ6 [0,1,0,0,0,1|1,0,0]=3 2428 B10R1.25 Cc1cc(Cl)ncc1CO 1P009YMK [0,1,0,0,0,1|2,0,0]=4 2429 B10R1.25 Cc1cc(N)c(cn1)CO 1P001PWE [0,1,0,0,0,1|1,0,0]=3 2430 B10R1.25 Cc1ccc(c(n1)Br)CBr 1P00IINH [0,1,0,0,0,1|2,0,0]=4 2431 B10R1.25 Cc1ccc(c(n1)Cl)CBr 1P00A62V [0,1,0,0,0,1|2,0,0]=4 2432 B10R1.25 Cc1ccc(c(n1)Cl)CCl 1P00DJSK [0,1,0,0,0,1|2,0,0]=4 2433 B10R1.25 Cc1ccc(c(n1)Cl)CCl 1P028FYQ [0,1,0,0,0,1|2,0,0]=4 2434 B10R1.25 Cc1ccc(c(n1)Cl)CO 1P00FH6R [0,1,0,0,0,1|1,0,0]=3 2435 B10R1.25 Cc1ccc(c(n1)Cl)CO 1P028PBM [0,1,0,0,0,1|1,0,0]=3 2436 B10R1.25 Cc1nc(C)ccc1CCl 1P01ADI3 [0,1,0,0,0,1|2,0,0]=4 2437 B10R1.25 Cc1nc(C)ccc1CO 1P00EKF5 [0,1,0,0,0,1|1,0,0]=3 2438 B10R1.25 Cc1nc(Cl)ccc1CO 1P0097FR [0,1,0,0,0,1|2,0,0]=4 2439 B10R1.25 Cc1nc(F)ccc1CO 1P00GV6T [0,1,0,0,0,1|2,0,0]=4 2440 B10R1.25 ClCc1ccc(cc1C)C 1P003GB3 [0,1,0,0,0,1|2,0,0]=4 2441 B10R1.25 ClCc1ccc(cc1Cl)C 1P007M4R [0,1,0,0,0,1|2,0,0]=4 2442 B10R1.25 ClCc1ccc(cc1F)C 1P00AXIF [0,1,0,0,0,1|2,0,0]=4 2443 B10R1.25 ClCc1ncc(cc1Br)C 1P00A0JU [0,1,0,0,0,1|2,0,0]=4 2444 B10R1.25 ClCc1ncc(cc1C)C 1P0036GD [0,1,0,0,0,1|2,0,0]=4 2445 B10R1.25 NCc1ccc([nH]c1=O)C 1P01BEL6 [0,1,0,0,0,1|2,0,0]=4 2446 B10R1.25 NCc1ccc(cc1Br)C 1P01DHFE [0,1,0,0,0,1|2,0,0]=4 2447 B10R1.25 NCc1ccc(cc1C)C 1P006QW3 [0,1,0,0,0,1|2,0,0]=4 2448 B10R1.25 NCc1ccc(cc1Cl)C 1P00BNW5 [0,1,0,0,0,1|2,0,0]=4 2449 B10R1.25 NCc1ccc(cc1Cl)C 1P00FFSG [0,1,0,0,0,1|2,0,0]=4 2450 B10R1.25 NCc1ccc(cc1F)C 1P00G5RM [0,1,0,0,0,1|2,0,0]=4 2451 B10R1.25 NCc1ccc(cc1F)C 1P01DYZ3 [0,1,0,0,0,1|2,0,0]=4 2452 B10R1.25 NCc1ccc(cc1N)C 1P028YPM [0,1,0,0,0,1|2,0,0]=4 2453 B10R1.25 NCc1ccc(cc1O)C 1P028P9H [0,1,0,0,0,1|2,0,0]=4 2454 B10R1.25 NCc1cnc(cc1C)C 1P00J1GS [0,1,0,0,0,1|2,0,0]=4 2455 B10R1.25 NCc1ncc(cc1C)C 1P000P3S [0,1,0,0,0,1|2,0,0]=4 2456 B10R1.25 NCc1ncc(cc1C)C 1P01BK0U [0,1,0,0,0,1|2,0,0]=4 2457 B10R1.25 Nc1cc(Cl)ncc1CO 1P0051IB [0,1,0,0,0,1|2,0,0]=4 2458 B10R1.25 Nc1nc(Br)ccc1CO 1P001T3T [0,1,0,0,0,1|2,0,0]=4 2459 B10R1.25 OCc1ccc([nH]c1=O)Br 1P01XAK8 [0,1,0,0,0,1|2,0,0]=4 2460 B10R1.25 OCc1ccc(cc1Br)Br 1P00FC1F [0,1,0,0,0,1|2,0,0]=4 2461 B10R1.25 OCc1ccc(cc1Br)Cl 1P00AOGF [0,1,0,0,0,1|2,0,0]=4 2462 B10R1.25 OCc1ccc(cc1Br)F 1P002LVJ [0,1,0,0,0,1|2,0,0]=4 2463 B10R1.25 OCc1ccc(cc1Br)I 1P000SEI [0,1,0,0,0,1|2,0,0]=4 2464 B10R1.25 OCc1ccc(cc1Br)O 1P01FPD9 [0,1,0,0,0,1|2,0,0]=4 2465 B10R1.25 OCc1ccc(cc1C)Br 1P00AKVA [0,1,0,0,0,1|2,0,0]=4 2466 B10R1.25 OCc1ccc(cc1C)C 1P001U4P [0,1,0,0,0,1|1,0,0]=3 2467 B10R1.25 OCc1ccc(cc1C)Cl 1P000U21 [0,1,0,0,0,1|2,0,0]=4 2468 B10R1.25 OCc1ccc(cc1C)F 1P005D19 [0,1,0,0,0,1|2,0,0]=4 2469 B10R1.25 OCc1ccc(cc1C)N 1P00IBO5 [0,1,0,0,0,1|2,0,0]=4 2470 B10R1.25 OCc1ccc(cc1Cl)Br 1P007TZT [0,1,0,0,0,1|2,0,0]=4 2471 B10R1.25 OCc1ccc(cc1Cl)C 1P00CNT6 [0,1,0,0,0,1|1,0,0]=3 2472 B10R1.25 OCc1ccc(cc1Cl)Cl 1P0025XP [0,1,0,0,0,1|2,0,0]=4 2473 B10R1.25 OCc1ccc(cc1Cl)F 1P002K10 [0,1,0,0,0,1|2,0,0]=4 2474 B10R1.25 OCc1ccc(cc1Cl)I 1P00A15B [0,1,0,0,0,1|2,0,0]=4 2475 B10R1.25 OCc1ccc(cc1Cl)N 1P00DKM5 [0,1,0,0,0,1|2,0,0]=4 2476 B10R1.25 OCc1ccc(cc1Cl)O 1P00AT27 [0,1,0,0,0,1|2,0,0]=4 2477 B10R1.25 OCc1ccc(cc1F)Br 1P002HGY [0,1,0,0,0,1|2,0,0]=4 2478 B10R1.25 OCc1ccc(cc1F)C 1P002RC2 [0,1,0,0,0,1|1,0,0]=3 2479 B10R1.25 OCc1ccc(cc1F)Cl 1P0037O7 [0,1,0,0,0,1|2,0,0]=4 2480 B10R1.25 OCc1ccc(cc1F)F 1P003G98 [0,1,0,0,0,1|2,0,0]=4 2481 B10R1.25 OCc1ccc(cc1F)I 1P0091SJ [0,1,0,0,0,1|2,0,0]=4 2482 B10R1.25 OCc1ccc(cc1F)N 1P00511J [0,1,0,0,0,1|2,0,0]=4 2483 B10R1.25 OCc1ccc(cc1F)O 1P00IKBI [0,1,0,0,0,1|2,0,0]=4 2484 B10R1.25 OCc1ccc(cc1I)Br 1P000S73 [0,1,0,0,0,1|2,0,0]=4 2485 B10R1.25 OCc1ccc(cc1I)Cl 1P01BG3B [0,1,0,0,0,1|2,0,0]=4 2486 B10R1.25 OCc1ccc(cc1N)Br 1P0069W9 [0,1,0,0,0,1|2,0,0]=4 2487 B10R1.25 OCc1ccc(cc1N)C 1P0053KF [0,1,0,0,0,1|1,0,0]=3 2488 B10R1.25 OCc1ccc(cc1N)Cl 1P00CLS1 [0,1,0,0,0,1|2,0,0]=4 2489 B10R1.25 OCc1ccc(cc1N)F 1P002BH1 [0,1,0,0,0,1|2,0,0]=4 2490 B10R1.25 OCc1ccc(cc1O)Br 1P00ACKI [0,1,0,0,0,1|2,0,0]=4 2491 B10R1.25 OCc1ccc(cc1O)F 1P00G9UM [0,1,0,0,0,1|2,0,0]=4 2492 B10R1.25 OCc1ccc(nc1Br)Br 1P00E5ZJ [0,1,0,0,0,1|2,0,0]=4 2493 B10R1.25 OCc1ccc(nc1Br)F 1P01BXWS [0,1,0,0,0,1|2,0,0]=4 2494 B10R1.25 OCc1ccc(nc1Cl)Br 1P000JUN [0,1,0,0,0,1|2,0,0]=4 2495 B10R1.25 OCc1ccc(nc1Cl)Cl 1P00DDB9 [0,1,0,0,0,1|2,0,0]=4 2496 B10R1.25 OCc1ccc(nc1F)Br 1P01X1D2 [0,1,0,0,0,1|2,0,0]=4 2497 B10R1.25 OCc1ccc(nc1F)Cl 1P01KL89 [0,1,0,0,0,1|2,0,0]=4 2498 B10R1.25 OCc1cnc(cc1Cl)Cl 1P005AVW [0,1,0,0,0,1|2,0,0]=4 2499 B10R1.25 OCc1cnc(cc1F)F 1P0022NP [0,1,0,0,0,1|2,0,0]=4 2500 B10R1.25 OCc1cnc(nc1C)C 1P00ICG7 [0,1,0,0,0,1|2,0,0]=4 2501 B10R1.25 OCc1cnc(nc1N)C 1P005CG4 [0,1,0,0,0,1|2,0,0]=4 2502 B10R1.25 OCc1cnc(nc1N)C 1P01KL2M [0,1,0,0,0,1|2,0,0]=4 2503 B10R1.25 OCc1ncc(cc1Br)Br 1P000JUF [0,1,0,0,0,1|2,0,0]=4 2504 B10R1.25 OCc1ncc(cc1Br)C 1P00JT0D [0,1,0,0,0,1|1,0,0]=3 2505 B10R1.25 OCc1ncc(cc1Br)Cl 1P000JUP [0,1,0,0,0,1|2,0,0]=4 2506 B10R1.25 OCc1ncc(cc1Br)F 1P00HHE6 [0,1,0,0,0,1|2,0,0]=4 2507 B10R1.25 OCc1ncc(cc1C)Br 1P002P3C [0,1,0,0,0,1|2,0,0]=4 2508 B10R1.25 OCc1ncc(cc1C)C 1P00290Y [0,1,0,0,0,1|1,0,0]=3 2509 B10R1.25 OCc1ncc(cc1C)F 1P00A0FY [0,1,0,0,0,1|2,0,0]=4 2510 B10R1.25 OCc1ncc(cc1Cl)Br 1P008ZKR [0,1,0,0,0,1|2,0,0]=4 2511 B10R1.25 OCc1ncc(cc1Cl)Cl 1P002UHI [0,1,0,0,0,1|2,0,0]=4 2512 B10R1.25 OCc1ncc(cc1Cl)Cl 1P01FIBI [0,1,0,0,0,1|2,0,0]=4 2513 B10R1.25 OCc1ncc(cc1Cl)F 1P000JQZ [0,1,0,0,0,1|2,0,0]=4 2514 B10R1.25 OCc1ncc(cc1F)Br 1P0034ON [0,1,0,0,0,1|2,0,0]=4 2515 B10R1.25 OCc1ncc(cc1F)Cl 1P00BFX0 [0,1,0,0,0,1|2,0,0]=4 2516 B10R1.25 OCc1ncc(cc1F)F 1P008U8K [0,1,0,0,0,1|2,0,0]=4 2517 B10R1.25 OCc1ncc(cc1N)Br 1P001268 [0,1,0,0,0,1|2,0,0]=4 2518 B10R1.25 OCc1ncc(cc1N)Cl 1P00ILVX [0,1,0,0,0,1|2,0,0]=4 2519 B10R1.25 SCc1ccc(cc1C)C 1P028NPE [0,1,0,0,0,1|1,1,0]=4 2520 B10R1.26 OCC1=CCC(OC1)(C)C 1P01JUZ4 [0,1,0,0,0,1|0,0,2]=4 2521 B10R1.176 BrCc1ccc(c(c1)Br)C 1P002RIY [0,1,0,0,0,1|2,0,0]=4 2522 B10R1.176 BrCc1ccc(c(c1)C)C 1P0036AO [0,1,0,0,0,1|2,0,0]=4 2523 B10R1.176 BrCc1ccc(c(c1)Cl)C 1P01FBKF [0,1,0,0,0,1|2,0,0]=4 2524 B10R1.176 BrCc1ccc(c(c1)F)C 1P001L09 [0,1,0,0,0,1|2,0,0]=4 2525 B10R1.176 BrCc1ccc(c(c1)I)C 1P01K5CF [0,1,0,0,0,1|2,0,0]=4 2526 B10R1.176 BrCc1nnc(c(c1)C)C 1P028DO5 [0,1,0,0,0,1|2,0,0]=4 2527 B10R1.176 CCc1ccc(c(c1)Br)C 1P003B3P [0,1,0,0,0,1|2,0,0]=4 2528 B10R1.176 CCc1ccc(c(c1)C)C 1P006FV1 [0,1,0,0,0,1|2,0,0]=4 2529 B10R1.176 CCc1ccc(c(c1)N)C 1P00ARD9 [0,1,0,0,0,1|2,0,0]=4 2530 B10R1.176 CCc1cnc(c(c1)N)C 1P028SKT [0,1,0,0,0,1|2,0,0]=4 2531 B10R1.176 ClCc1ccc(c(c1)Br)C 1P01AGHT [0,1,0,0,0,1|2,0,0]=4 2532 B10R1.176 ClCc1ccc(c(c1)C)C 1P0006PD [0,1,0,0,0,1|2,0,0]=4 2533 B10R1.176 ClCc1ccc(c(c1)Cl)C 1P00BC1Z [0,1,0,0,0,1|2,0,0]=4 2534 B10R1.176 ClCc1ccc(c(c1)F)C 1P001FFO [0,1,0,0,0,1|2,0,0]=4 2535 B10R1.176 ClCc1ccc(c(n1)C)C 1P027E07 [0,1,0,0,0,1|2,0,0]=4 2536 B10R1.176 ClCc1ccc(c(n1)Cl)C 1P01BYDB [0,1,0,0,0,1|2,0,0]=4 2537 B10R1.176 ClCc1nnc(c(c1)C)C 1P028WRT [0,1,0,0,0,1|2,0,0]=4 2538 B10R1.176 NCc1ccc(c(c1)Br)C 1P01BDLI [0,1,0,0,0,1|2,0,0]=4 2539 B10R1.176 NCc1ccc(c(c1)C)C 1P0006PB [0,1,0,0,0,1|2,0,0]=4 2540 B10R1.176 NCc1ccc(c(c1)C)C 1P019F5W [0,1,0,0,0,1|2,0,0]=4 2541 B10R1.176 NCc1ccc(c(c1)Cl)C 1P00FB8Q [0,1,0,0,0,1|2,0,0]=4 2542 B10R1.176 NCc1ccc(c(c1)Cl)C 1P028CQ3 [0,1,0,0,0,1|2,0,0]=4 2543 B10R1.176 NCc1ccc(c(c1)F)C 1P002SNI [0,1,0,0,0,1|2,0,0]=4 2544 B10R1.176 NCc1ccc(c(c1)F)C 1P00I7Z7 [0,1,0,0,0,1|2,0,0]=4 2545 B10R1.176 NCc1ccc(c(c1)I)C 1P027YEE [0,1,0,0,0,1|2,0,0]=4 2546 B10R1.176 NCc1ccc(c(c1)N)C 1P02843F [0,1,0,0,0,1|2,0,0]=4 2547 B10R1.176 NCc1ccc(c(c1)O)C 1P028GD0 [0,1,0,0,0,1|2,0,0]=4 2548 B10R1.176 NCc1ccc(c(n1)Br)C 1P027XLO [0,1,0,0,0,1|2,0,0]=4 2549 B10R1.176 NCc1ccc(c(n1)C)C 1P00DGO5 [0,1,0,0,0,1|2,0,0]=4 2550 B10R1.176 NCc1ccc(c(n1)C)C 1P01XCEG [0,1,0,0,0,1|2,0,0]=4 2551 B10R1.176 NCc1ccc(c(n1)C)C 1P01XDOI [0,1,0,0,0,1|2,0,0]=4 2552 B10R1.176 NCc1ccc(c(n1)F)C 1P028CZ4 [0,1,0,0,0,1|2,0,0]=4 2553 B10R1.176 NCc1cnc(c(c1)C)C 1P00J2NY [0,1,0,0,0,1|2,0,0]=4 2554 B10R1.176 NCc1ncc(c(c1)Br)C 1P027U9U [0,1,0,0,0,1|2,0,0]=4 2555 B10R1.176 NCc1nnc(c(c1)C)C 1P028M5Y [0,1,0,0,0,1|2,0,0]=4 2556 B10R1.176 OCc1[nH]cc(c(=O)c1)O 1P005MYF [0,1,0,0,0,1|2,0,0]=4 2557 B10R1.176 OCc1ccc(=O)n(c1)C 1P003ANS [0,1,0,0,0,1|2,0,0]=4 2558 B10R1.176 OCc1ccc(c(c1)Br)C 1P005N80 [0,1,0,0,0,1|1,0,0]=3 2559 B10R1.176 OCc1ccc(c(c1)Br)Cl 1P007IVD [0,1,0,0,0,1|2,0,0]=4 2560 B10R1.176 OCc1ccc(c(c1)Br)F 1P003JIE [0,1,0,0,0,1|2,0,0]=4 2561 B10R1.176 OCc1ccc(c(c1)Br)I 1P002QH8 [0,1,0,0,0,1|2,0,0]=4 2562 B10R1.176 OCc1ccc(c(c1)Br)N 1P020MKV [0,1,0,0,0,1|2,0,0]=4 2563 B10R1.176 OCc1ccc(c(c1)Br)O 1P00BDJM [0,1,0,0,0,1|2,0,0]=4 2564 B10R1.176 OCc1ccc(c(c1)C)Br 1P001LUP [0,1,0,0,0,1|2,0,0]=4 2565 B10R1.176 OCc1ccc(c(c1)C)C 1P003IZB [0,1,0,0,0,1|1,0,0]=3 2566 B10R1.176 OCc1ccc(c(c1)C)Cl 1P000WB6 [0,1,0,0,0,1|2,0,0]=4 2567 B10R1.176 OCc1ccc(c(c1)C)F 1P002SM5 [0,1,0,0,0,1|2,0,0]=4 2568 B10R1.176 OCc1ccc(c(c1)C)I 1P01RUUK [0,1,0,0,0,1|2,0,0]=4 2569 B10R1.176 OCc1ccc(c(c1)C)N 1P0046NV [0,1,0,0,0,1|2,0,0]=4 2570 B10R1.176 OCc1ccc(c(c1)C)O 1P0024RZ [0,1,0,0,0,1|2,0,0]=4 2571 B10R1.176 OCc1ccc(c(c1)Cl)Br 1P000QP8 [0,1,0,0,0,1|2,0,0]=4 2572 B10R1.176 OCc1ccc(c(c1)Cl)C 1P003JP9 [0,1,0,0,0,1|1,0,0]=3 2573 B10R1.176 OCc1ccc(c(c1)Cl)Cl 1P0022HU [0,1,0,0,0,1|2,0,0]=4 2574 B10R1.176 OCc1ccc(c(c1)Cl)F 1P001SXW [0,1,0,0,0,1|2,0,0]=4 2575 B10R1.176 OCc1ccc(c(c1)Cl)I 1P01BDKN [0,1,0,0,0,1|2,0,0]=4 2576 B10R1.176 OCc1ccc(c(c1)Cl)N 1P008UQQ [0,1,0,0,0,1|2,0,0]=4 2577 B10R1.176 OCc1ccc(c(c1)Cl)O 1P00962Y [0,1,0,0,0,1|2,0,0]=4 2578 B10R1.176 OCc1ccc(c(c1)F)Br 1P006ZI0 [0,1,0,0,0,1|2,0,0]=4 2579 B10R1.176 OCc1ccc(c(c1)F)C 1P002GP7 [0,1,0,0,0,1|1,0,0]=3 2580 B10R1.176 OCc1ccc(c(c1)F)Cl 1P002918 [0,1,0,0,0,1|2,0,0]=4 2581 B10R1.176 OCc1ccc(c(c1)F)F 1P008GVE [0,1,0,0,0,1|2,0,0]=4 2582 B10R1.176 OCc1ccc(c(c1)F)I 1P000SCX [0,1,0,0,0,1|2,0,0]=4 2583 B10R1.176 OCc1ccc(c(c1)F)N 1P001E36 [0,1,0,0,0,1|2,0,0]=4 2584 B10R1.176 OCc1ccc(c(c1)F)O 1P01AJX5 [0,1,0,0,0,1|2,0,0]=4 2585 B10R1.176 OCc1ccc(c(c1)I)Br 1P01FHVU [0,1,0,0,0,1|2,0,0]=4 2586 B10R1.176 OCc1ccc(c(c1)I)C 1P001WTX [0,1,0,0,0,1|1,0,0]=3 2587 B10R1.176 OCc1ccc(c(c1)N)Br 1P000SEC [0,1,0,0,0,1|2,0,0]=4 2588 B10R1.176 OCc1ccc(c(c1)N)C 1P003JCK [0,1,0,0,0,1|1,0,0]=3 2589 B10R1.176 OCc1ccc(c(c1)N)Cl 1P0086KE [0,1,0,0,0,1|2,0,0]=4 2590 B10R1.176 OCc1ccc(c(c1)N)Cl 1P02816R [0,1,0,0,0,1|2,0,0]=4 2591 B10R1.176 OCc1ccc(c(c1)N)F 1P007ODJ [0,1,0,0,0,1|2,0,0]=4 2592 B10R1.176 OCc1ccc(c(c1)N)F 1P028QL7 [0,1,0,0,0,1|2,0,0]=4 2593 B10R1.176 OCc1ccc(c(c1)N)O 1P00DNOE [0,1,0,0,0,1|2,0,0]=4 2594 B10R1.176 OCc1ccc(c(c1)O)Br 1P00BGJP [0,1,0,0,0,1|2,0,0]=4 2595 B10R1.176 OCc1ccc(c(c1)O)Cl 1P000SC9 [0,1,0,0,0,1|2,0,0]=4 2596 B10R1.176 OCc1ccc(c(c1)O)F 1P00II2L [0,1,0,0,0,1|2,0,0]=4 2597 B10R1.176 OCc1ccc(c(c1)O)I 1P005C1F [0,1,0,0,0,1|2,0,0]=4 2598 B10R1.176 OCc1ccc(c(c1)O)N 1P000EZG [0,1,0,0,0,1|2,0,0]=4 2599 B10R1.176 OCc1ccc(c(c1)O)O 1P003IYD [0,1,0,0,0,1|2,0,0]=4 2600 B10R1.176 OCc1ccc(c(n1)Br)Cl 1P021K6F [0,1,0,0,0,1|2,0,0]=4 2601 B10R1.176 OCc1ccc(c(n1)Br)F 1P003BDL [0,1,0,0,0,1|2,0,0]=4 2602 B10R1.176 OCc1ccc(c(n1)Br)N 1P021W7A [0,1,0,0,0,1|2,0,0]=4 2603 B10R1.176 OCc1ccc(c(n1)Br)O 1P00AN8H [0,1,0,0,0,1|2,0,0]=4 2604 B10R1.176 OCc1ccc(c(n1)C)Br 1P0014AM [0,1,0,0,0,1|2,0,0]=4 2605 B10R1.176 OCc1ccc(c(n1)C)F 1P000YH7 [0,1,0,0,0,1|2,0,0]=4 2606 B10R1.176 OCc1ccc(c(n1)C)O 1P00DLQN [0,1,0,0,0,1|2,0,0]=4 2607 B10R1.176 OCc1ccc(c(n1)Cl)Br 1P000JR2 [0,1,0,0,0,1|2,0,0]=4 2608 B10R1.176 OCc1ccc(c(n1)Cl)N 1P021WAI [0,1,0,0,0,1|2,0,0]=4 2609 B10R1.176 OCc1ccc(c(n1)Cl)O 1P002K7U [0,1,0,0,0,1|2,0,0]=4 2610 B10R1.176 OCc1ccc(c(n1)F)C 1P01DZGD [0,1,0,0,0,1|1,0,0]=3 2611 B10R1.176 OCc1ccn(c(=O)c1)C 1P00CLFB [0,1,0,0,0,1|2,0,0]=4 2612 B10R1.176 OCc1cnc(c(c1)Br)Cl 1P00IGM8 [0,1,0,0,0,1|2,0,0]=4 2613 B10R1.176 OCc1cnc(c(c1)Br)N 1P0008SR [0,1,0,0,0,1|2,0,0]=4 2614 B10R1.176 OCc1cnc(c(c1)C)C 1P008HBQ [0,1,0,0,0,1|1,0,0]=3 2615 B10R1.176 OCc1cnc(c(c1)Cl)Cl 1P00DAWZ [0,1,0,0,0,1|2,0,0]=4 2616 B10R1.176 OCc1cnc(c(c1)Cl)N 1P009WP5 [0,1,0,0,0,1|2,0,0]=4 2617 B10R1.176 OCc1cnc(c(c1)F)Br 1P01K5GN [0,1,0,0,0,1|2,0,0]=4 2618 B10R1.176 OCc1cnc(c(c1)F)C 1P00IHC4 [0,1,0,0,0,1|1,0,0]=3 2619 B10R1.176 OCc1cnc(c(c1)F)F 1P028UBW [0,1,0,0,0,1|2,0,0]=4 2620 B10R1.176 OCc1cnc(c(c1)I)Cl 1P00HUX3 [0,1,0,0,0,1|2,0,0]=4 2621 B10R1.176 OCc1cnc(c(c1)N)Br 1P028G0Y [0,1,0,0,0,1|2,0,0]=4 2622 B10R1.176 OCc1ncc(c(c1)Br)C 1P00G8MI [0,1,0,0,0,1|1,0,0]=3 2623 B10R1.176 OCc1ncc(c(c1)Br)C 1P00IM7Y [0,1,0,0,0,1|1,0,0]=3 2624 B10R1.176 OCc1ncc(c(c1)C)Cl 1P0290EL [0,1,0,0,0,1|2,0,0]=4 2625 B10R1.176 OCc1ncc(c(c1)Cl)Br 1P007FS7 [0,1,0,0,0,1|2,0,0]=4 2626 B10R1.176 OCc1ncc(c(c1)Cl)C 1P004C0X [0,1,0,0,0,1|1,0,0]=3 2627 B10R1.176 OCc1ncc(c(c1)Cl)Cl 1P01V7CY [0,1,0,0,0,1|2,0,0]=4 2628 B10R1.176 OCc1ncc(c(c1)Cl)F 1P008S50 [0,1,0,0,0,1|2,0,0]=4 2629 B10R1.176 OCc1ncc(c(c1)N)C 1P01FM2N [0,1,0,0,0,1|1,0,0]=3 2630 B10R1.176 OCc1nnc(c(c1)C)C 1P0289JI [0,1,0,0,0,1|1,0,0]=3 2631 B10R1.176 OCc1occ(c(=O)c1)O 1P00I9EY [0,1,0,0,0,1|1,0,0]=3 2632 B10R1.176 Oc1coc(cc1=O)CCl 1P005B8C [0,1,0,0,0,1|2,0,0]=4 2633 B10R1.176 SCc1ccc(c(c1)C)C 1P01A04U [0,1,0,0,0,1|1,1,0]=4 2634 B10R1.2 BrCc1cccc(c1Br)C 1P01C8VH [0,1,0,0,0,1|2,0,0]=4 2635 B10R1.2 BrCc1cccc(c1C)C 1P0050HP [0,1,0,0,0,1|2,0,0]=4 2636 B10R1.2 BrCc1cccc(c1Cl)C 1P01FBDU [0,1,0,0,0,1|2,0,0]=4 2637 B10R1.2 BrCc1cccc(c1F)C 1P001NRV [0,1,0,0,0,1|2,0,0]=4 2638 B10R1.2 BrCc1cccc(c1I)C 1P021VPJ [0,1,0,0,0,1|2,0,0]=4 2639 B10R1.2 CCc1cccc(c1Br)C 1P00IBXQ [0,1,0,0,0,1|2,0,0]=4 2640 B10R1.2 CCc1cccc(c1I)C 1P0021AO [0,1,0,0,0,1|2,0,0]=4 2641 B10R1.2 CCc1cccc(c1N)C 1P002OYV [0,1,0,0,0,1|2,0,0]=4 2642 B10R1.2 CCc1cccc(c1O)C 1P001YOW [0,1,0,0,0,1|2,0,0]=4 2643 B10R1.2 CCc1nccc(c1N)C 1P01BKOZ [0,1,0,0,0,1|2,0,0]=4 2644 B10R1.2 ClCc1cccc(c1Br)C 1P028VJZ [0,1,0,0,0,1|2,0,0]=4 2645 B10R1.2 ClCc1cccc(c1C)C 1P0012EC [0,1,0,0,0,1|2,0,0]=4 2646 B10R1.2 ClCc1cccc(c1F)C 1P00ERE7 [0,1,0,0,0,1|2,0,0]=4 2647 B10R1.2 ClCc1cccc(c1I)C 1P029362 [0,1,0,0,0,1|2,0,0]=4 2648 B10R1.2 ClCc1ccnc(c1Cl)C 1P01ADIT [0,1,0,0,0,1|2,0,0]=4 2649 B10R1.2 ClCc1nccc(c1Br)C 1P028PE2 [0,1,0,0,0,1|2,0,0]=4 2650 B10R1.2 NCc1cccc(c1Br)C 1P01B24Z [0,1,0,0,0,1|2,0,0]=4 2651 B10R1.2 NCc1cccc(c1Br)C 1P01B250 [0,1,0,0,0,1|2,0,0]=4 2652 B10R1.2 NCc1cccc(c1C)C 1P003G10 [0,1,0,0,0,1|2,0,0]=4 2653 B10R1.2 NCc1cccc(c1Cl)C 1P01DL67 [0,1,0,0,0,1|2,0,0]=4 2654 B10R1.2 NCc1cccc(c1Cl)C 1P01EB96 [0,1,0,0,0,1|2,0,0]=4 2655 B10R1.2 NCc1cccc(c1F)C 1P00HDEH [0,1,0,0,0,1|2,0,0]=4 2656 B10R1.2 NCc1cccc(c1F)C 1P01DL3D [0,1,0,0,0,1|2,0,0]=4 2657 B10R1.2 NCc1cccc(c1I)C 1P01BFID [0,1,0,0,0,1|2,0,0]=4 2658 B10R1.2 NCc1cccc(c1N)C 1P028E4D [0,1,0,0,0,1|2,0,0]=4 2659 B10R1.2 NCc1cccc(c1O)C 1P00I3WJ [0,1,0,0,0,1|2,0,0]=4 2660 B10R1.2 NCc1nccc(c1F)C 1P01EIK6 [0,1,0,0,0,1|2,0,0]=4 2661 B10R1.2 OCc1cccc(=O)n1C 1P01WZTJ [0,1,0,0,0,1|2,0,0]=4 2662 B10R1.2 OCc1cccc(c1Br)Br 1P00158W [0,1,0,0,0,1|2,0,0]=4 2663 B10R1.2 OCc1cccc(c1Br)C 1P00AR4Y [0,1,0,0,0,1|1,0,0]=3 2664 B10R1.2 OCc1cccc(c1Br)Cl 1P000KOR [0,1,0,0,0,1|2,0,0]=4 2665 B10R1.2 OCc1cccc(c1Br)F 1P008Y6N [0,1,0,0,0,1|2,0,0]=4 2666 B10R1.2 OCc1cccc(c1Br)I 1P000SDD [0,1,0,0,0,1|2,0,0]=4 2667 B10R1.2 OCc1cccc(c1C)Br 1P0038VI [0,1,0,0,0,1|2,0,0]=4 2668 B10R1.2 OCc1cccc(c1C)C 1P0012ED [0,1,0,0,0,1|1,0,0]=3 2669 B10R1.2 OCc1cccc(c1C)Cl 1P00IGKZ [0,1,0,0,0,1|2,0,0]=4 2670 B10R1.2 OCc1cccc(c1C)F 1P00DC7P [0,1,0,0,0,1|2,0,0]=4 2671 B10R1.2 OCc1cccc(c1C)I 1P008OBT [0,1,0,0,0,1|2,0,0]=4 2672 B10R1.2 OCc1cccc(c1C)N 1P003JB7 [0,1,0,0,0,1|2,0,0]=4 2673 B10R1.2 OCc1cccc(c1C)N 1P005QTQ [0,1,0,0,0,1|2,0,0]=4 2674 B10R1.2 OCc1cccc(c1C)O 1P00DL9Y [0,1,0,0,0,1|2,0,0]=4 2675 B10R1.2 OCc1cccc(c1Cl)Br 1P000S9U [0,1,0,0,0,1|2,0,0]=4 2676 B10R1.2 OCc1cccc(c1Cl)C 1P00EMD1 [0,1,0,0,0,1|1,0,0]=3 2677 B10R1.2 OCc1cccc(c1Cl)Cl 1P003FY6 [0,1,0,0,0,1|2,0,0]=4 2678 B10R1.2 OCc1cccc(c1Cl)F 1P005UCC [0,1,0,0,0,1|2,0,0]=4 2679 B10R1.2 OCc1cccc(c1Cl)N 1P0012SP [0,1,0,0,0,1|2,0,0]=4 2680 B10R1.2 OCc1cccc(c1Cl)O 1P002V31 [0,1,0,0,0,1|2,0,0]=4 2681 B10R1.2 OCc1cccc(c1F)Br 1P002SG5 [0,1,0,0,0,1|2,0,0]=4 2682 B10R1.2 OCc1cccc(c1F)C 1P0031RR [0,1,0,0,0,1|1,0,0]=3 2683 B10R1.2 OCc1cccc(c1F)Cl 1P002SG6 [0,1,0,0,0,1|2,0,0]=4 2684 B10R1.2 OCc1cccc(c1F)F 1P003FZ9 [0,1,0,0,0,1|2,0,0]=4 2685 B10R1.2 OCc1cccc(c1F)I 1P01K74Z [0,1,0,0,0,1|2,0,0]=4 2686 B10R1.2 OCc1cccc(c1F)N 1P007XIQ [0,1,0,0,0,1|2,0,0]=4 2687 B10R1.2 OCc1cccc(c1I)Br 1P000SBM [0,1,0,0,0,1|2,0,0]=4 2688 B10R1.2 OCc1cccc(c1I)C 1P009444 [0,1,0,0,0,1|1,0,0]=3 2689 B10R1.2 OCc1cccc(c1I)F 1P000SIO [0,1,0,0,0,1|2,0,0]=4 2690 B10R1.2 OCc1cccc(c1N)Br 1P00CMFE [0,1,0,0,0,1|2,0,0]=4 2691 B10R1.2 OCc1cccc(c1N)C 1P003GUF [0,1,0,0,0,1|1,0,0]=3 2692 B10R1.2 OCc1cccc(c1N)Cl 1P00392B [0,1,0,0,0,1|2,0,0]=4 2693 B10R1.2 OCc1cccc(c1N)F 1P00IGQ7 [0,1,0,0,0,1|2,0,0]=4 2694 B10R1.2 OCc1cccc(c1N)O 1P00ANLO [0,1,0,0,0,1|2,0,0]=4 2695 B10R1.2 OCc1cccc(c1O)C 1P00BJKZ [0,1,0,0,0,1|1,0,0]=3 2696 B10R1.2 OCc1cccc(c1O)O 1P009HH8 [0,1,0,0,0,1|2,0,0]=4 2697 B10R1.2 OCc1cccn(c1=O)C 1P00CMKS [0,1,0,0,0,1|2,0,0]=4 2698 B10R1.2 OCc1ccnc(c1Br)Cl 1P01K7KN [0,1,0,0,0,1|2,0,0]=4 2699 B10R1.2 OCc1ccnc(c1C)F 1P01XBXR [0,1,0,0,0,1|2,0,0]=4 2700 B10R1.2 OCc1ccnc(c1Cl)Br 1P01KAEV [0,1,0,0,0,1|2,0,0]=4 2701 B10R1.2 OCc1ccnc(c1Cl)Cl 1P00C8UN [0,1,0,0,0,1|2,0,0]=4 2702 B10R1.2 OCc1ccnc(c1F)Br 1P000JVP [0,1,0,0,0,1|2,0,0]=4 2703 B10R1.2 OCc1ccnc(c1F)Cl 1P0069W7 [0,1,0,0,0,1|2,0,0]=4 2704 B10R1.2 OCc1ccnc(c1F)F 1P019DAF [0,1,0,0,0,1|2,0,0]=4 2705 B10R1.2 OCc1ccnc(c1N)Cl 1P021WBQ [0,1,0,0,0,1|2,0,0]=4 2706 B10R1.2 OCc1cncc(c1C)Br 1P00CJ8J [0,1,0,0,0,1|2,0,0]=4 2707 B10R1.2 OCc1cncc(c1N)Br 1P0022OU [0,1,0,0,0,1|2,0,0]=4 2708 B10R1.2 OCc1cnnc(c1C)C 1P028DCX [0,1,0,0,0,1|2,0,0]=4 2709 B10R1.2 OCc1nccc(c1Br)F 1P0281PS [0,1,0,0,0,1|2,0,0]=4 2710 B10R1.2 OCc1nccc(c1Cl)Cl 1P008YC6 [0,1,0,0,0,1|2,0,0]=4 2711 B10R1.2 OCc1nccc(c1N)C 1P021WLT [0,1,0,0,0,1|1,0,0]=3 2712 B10R1.2 OCc1ncnc(c1C)C 1P028ZOT [0,1,0,0,0,1|2,0,0]=4 2713 B10R1.2 OCc1occc(=O)c1O 1P00B3T2 [0,1,0,0,0,1|2,0,0]=4 2714 B10R1.2 SCc1cccc(c1C)C 1P0291N2 [0,1,0,0,0,1|1,1,0]=4 2715 B10R1.8 BrCc1cc(C)cc(c1)Br 1P00I9PL [0,1,0,0,0,1|2,0,0]=4 2716 B10R1.8 BrCc1cc(C)cc(c1)C 1P00I5LX [0,1,0,0,0,1|2,0,0]=4 2717 B10R1.8 BrCc1cc(C)cc(c1)Cl 1P01DX0C [0,1,0,0,0,1|2,0,0]=4 2718 B10R1.8 BrCc1cc(C)cc(c1)F 1P003JXN [0,1,0,0,0,1|2,0,0]=4 2719 B10R1.8 BrCc1cc(C)cc(n1)C 1P009ZMT [0,1,0,0,0,1|2,0,0]=4 2720 B10R1.8 BrCc1cc(C)cc(n1)C 1P00G4NY [0,1,0,0,0,1|2,0,0]=4 2721 B10R1.8 BrCc1cc(C)nc(c1)C 1P01K182 [0,1,0,0,0,1|2,0,0]=4 2722 B10R1.8 BrCc1cc(C)nc(c1)Cl 1P000JU5 [0,1,0,0,0,1|2,0,0]=4 2723 B10R1.8 CCC1=CC(=O)CC(=O)O1 1P028CV0 [0,1,0,0,0,1|2,0,0]=4 2724 B10R1.8 CCc1cc(Br)nc(n1)C 1P01BNXT [0,1,0,0,0,1|2,0,0]=4 2725 B10R1.8 CCc1cc(C)cc(c1)C 1P003N6W [0,1,0,0,0,1|2,0,0]=4 2726 B10R1.8 CCc1cc(C)cc(c1)N 1P01KKKK [0,1,0,0,0,1|2,0,0]=4 2727 B10R1.8 CCc1cc(C)cc(c1)O 1P005HRO [0,1,0,0,0,1|2,0,0]=4 2728 B10R1.8 CCc1cc(Cl)nc(n1)C 1P003LMG [0,1,0,0,0,1|2,0,0]=4 2729 B10R1.8 CCc1cc(N)nc(n1)C 1P00H4YQ [0,1,0,0,0,1|2,0,0]=4 2730 B10R1.8 CCc1cc(O)nc(n1)C 1P00DB5I [0,1,0,0,0,1|2,0,0]=4 2731 B10R1.8 CCc1nc(C)cc(n1)Br 1P0292AW [0,1,0,0,0,1|2,0,0]=4 2732 B10R1.8 CCc1nc(C)cc(n1)Cl 1P00DIXX [0,1,0,0,0,1|2,0,0]=4 2733 B10R1.8 CCc1nc(C)cc(n1)N 1P028EYO [0,1,0,0,0,1|2,0,0]=4 2734 B10R1.8 Cc1cc(CCl)oc(=O)c1 1P01I3US [0,1,0,0,0,1|2,0,0]=4 2735 B10R1.8 ClCc1cc(C)cc(c1)Br 1P0094P1 [0,1,0,0,0,1|2,0,0]=4 2736 B10R1.8 ClCc1cc(C)cc(c1)C 1P00BCG6 [0,1,0,0,0,1|2,0,0]=4 2737 B10R1.8 ClCc1cc(C)cc(c1)Cl 1P02857U [0,1,0,0,0,1|2,0,0]=4 2738 B10R1.8 ClCc1cc(C)cc(c1)F 1P01C005 [0,1,0,0,0,1|2,0,0]=4 2739 B10R1.8 ClCc1cc(C)cc(c1)I 1P02932A [0,1,0,0,0,1|2,0,0]=4 2740 B10R1.8 ClCc1cc(C)cc(n1)C 1P01EM9X [0,1,0,0,0,1|2,0,0]=4 2741 B10R1.8 ClCc1cc(C)cc(n1)Cl 1P000JV9 [0,1,0,0,0,1|2,0,0]=4 2742 B10R1.8 ClCc1cc(C)nc(c1)C 1P002CAN [0,1,0,0,0,1|2,0,0]=4 2743 B10R1.8 ClCc1cc(C)nc(c1)C 1P00979R [0,1,0,0,0,1|2,0,0]=4 2744 B10R1.8 ClCc1cc(C)nc(c1)Cl 1P001T4Q [0,1,0,0,0,1|2,0,0]=4 2745 B10R1.8 ClCc1cc(C)nc(n1)C 1P01A72C [0,1,0,0,0,1|2,0,0]=4 2746 B10R1.8 ClCc1cc(Cl)nc(n1)C 1P004XCC [0,1,0,0,0,1|2,0,0]=4 2747 B10R1.8 ClCc1cc(O)nc(n1)C 1P00C8V6 [0,1,0,0,0,1|2,0,0]=4 2748 B10R1.8 ClCc1nc(C)cc(n1)C 1P005K59 [0,1,0,0,0,1|2,0,0]=4 2749 B10R1.8 ClCc1nc(C)cc(n1)Cl 1P01A0BH [0,1,0,0,0,1|2,0,0]=4 2750 B10R1.8 ClCc1nc(C)cc(n1)O 1P006UQO [0,1,0,0,0,1|2,0,0]=4 2751 B10R1.8 NCc1cc(Br)cc(n1)C 1P01FPCL [0,1,0,0,0,1|2,0,0]=4 2752 B10R1.8 NCc1cc(Br)cc(n1)C 1P028AP2 [0,1,0,0,0,1|2,0,0]=4 2753 B10R1.8 NCc1cc(C)[nH]c(=O)c1 1P01C400 [0,1,0,0,0,1|2,0,0]=4 2754 B10R1.8 NCc1cc(C)cc(c1)Br 1P003JJV [0,1,0,0,0,1|2,0,0]=4 2755 B10R1.8 NCc1cc(C)cc(c1)Br 1P01K595 [0,1,0,0,0,1|2,0,0]=4 2756 B10R1.8 NCc1cc(C)cc(c1)C 1P005KDA [0,1,0,0,0,1|2,0,0]=4 2757 B10R1.8 NCc1cc(C)cc(c1)C 1P01B5QU [0,1,0,0,0,1|2,0,0]=4 2758 B10R1.8 NCc1cc(C)cc(c1)Cl 1P01FFM8 [0,1,0,0,0,1|2,0,0]=4 2759 B10R1.8 NCc1cc(C)cc(c1)Cl 1P028OMJ [0,1,0,0,0,1|2,0,0]=4 2760 B10R1.8 NCc1cc(C)cc(c1)F 1P00G5RW [0,1,0,0,0,1|2,0,0]=4 2761 B10R1.8 NCc1cc(C)cc(c1)F 1P01KL67 [0,1,0,0,0,1|2,0,0]=4 2762 B10R1.8 NCc1cc(C)cc(c1)N 1P01C1XE [0,1,0,0,0,1|2,0,0]=4 2763 B10R1.8 NCc1cc(C)cc(c1)O 1P028VSE [0,1,0,0,0,1|2,0,0]=4 2764 B10R1.8 NCc1cc(C)cc(n1)C 1P00G57Y [0,1,0,0,0,1|2,0,0]=4 2765 B10R1.8 NCc1cc(C)cc(n1)Cl 1P000OUG [0,1,0,0,0,1|2,0,0]=4 2766 B10R1.8 NCc1cc(C)cc(n1)N 1P028L8V [0,1,0,0,0,1|2,0,0]=4 2767 B10R1.8 NCc1cc(C)nc(c1)C 1P00C8QF [0,1,0,0,0,1|2,0,0]=4 2768 B10R1.8 NCc1cc(C)nc(c1)Cl 1P01C5G4 [0,1,0,0,0,1|2,0,0]=4 2769 B10R1.8 NCc1cc(C)nc(c1)N 1P01AUT1 [0,1,0,0,0,1|2,0,0]=4 2770 B10R1.8 NCc1cc(C)nc(n1)C 1P01BA3T [0,1,0,0,0,1|2,0,0]=4 2771 B10R1.8 NCc1cc(O)cc(n1)C 1P028RE2 [0,1,0,0,0,1|2,0,0]=4 2772 B10R1.8 NCc1cc(O)nc(n1)C 1P00J2LR [0,1,0,0,0,1|2,0,0]=4 2773 B10R1.8 NCc1nc(C)cc(=O)[nH]1 1P01C68F [0,1,0,0,0,1|2,0,0]=4 2774 B10R1.8 NCc1nc(C)cc(n1)C 1P0039YY [0,1,0,0,0,1|2,0,0]=4 2775 B10R1.8 NCc1nc(C)cc(n1)C 1P00J1G7 [0,1,0,0,0,1|2,0,0]=4 2776 B10R1.8 NCc1nc(C)cc(n1)O 1P00J1TX [0,1,0,0,0,1|2,0,0]=4 2777 B10R1.8 Nc1nc(=O)cc([nH]1)CO 1P006VV7 [0,1,0,0,0,1|2,0,0]=4 2778 B10R1.8 OCc1cc(=O)[nH]c(=O)[nH]1 1P00BFIB [0,1,0,0,0,1|2,0,0]=4 2779 B10R1.8 OCc1cc(Br)cc(c1)Br 1P001DRP [0,1,0,0,0,1|2,0,0]=4 2780 B10R1.8 OCc1cc(Br)cc(c1)I 1P002HT2 [0,1,0,0,0,1|2,0,0]=4 2781 B10R1.8 OCc1cc(Br)cc(n1)Br 1P00HUHS [0,1,0,0,0,1|2,0,0]=4 2782 B10R1.8 OCc1cc(Br)cc(n1)C 1P00D8SQ [0,1,0,0,0,1|1,0,0]=3 2783 B10R1.8 OCc1cc(Br)nc(c1)Br 1P00BIKL [0,1,0,0,0,1|2,0,0]=4 2784 B10R1.8 OCc1cc(C)cc(c1)Br 1P00EL63 [0,1,0,0,0,1|1,0,0]=3 2785 B10R1.8 OCc1cc(C)cc(c1)C 1P003J5K [0,1,0,0,0,1|1,0,0]=3 2786 B10R1.8 OCc1cc(C)cc(c1)Cl 1P01A6OT [0,1,0,0,0,1|1,0,0]=3 2787 B10R1.8 OCc1cc(C)cc(c1)F 1P00DMBL [0,1,0,0,0,1|1,0,0]=3 2788 B10R1.8 OCc1cc(C)cc(c1)N 1P001EDD [0,1,0,0,0,1|1,0,0]=3 2789 B10R1.8 OCc1cc(C)cc(c1)N 1P02855V [0,1,0,0,0,1|1,0,0]=3 2790 B10R1.8 OCc1cc(C)cc(c1)O 1P00EK1Q [0,1,0,0,0,1|1,0,0]=3 2791 B10R1.8 OCc1cc(C)cc(n1)C 1P0022W6 [0,1,0,0,0,1|1,0,0]=3 2792 B10R1.8 OCc1cc(C)cc(n1)Cl 1P000JUH [0,1,0,0,0,1|1,0,0]=3 2793 B10R1.8 OCc1cc(C)nc(c1)Br 1P01BD50 [0,1,0,0,0,1|1,0,0]=3 2794 B10R1.8 OCc1cc(C)nc(c1)C 1P0022W5 [0,1,0,0,0,1|1,0,0]=3 2795 B10R1.8 OCc1cc(C)nc(c1)Cl 1P00ANI0 [0,1,0,0,0,1|1,0,0]=3 2796 B10R1.8 OCc1cc(C)nc(n1)C 1P00E4G4 [0,1,0,0,0,1|1,0,0]=3 2797 B10R1.8 OCc1cc(Cl)cc(c1)Br 1P006QFY [0,1,0,0,0,1|2,0,0]=4 2798 B10R1.8 OCc1cc(Cl)cc(c1)Cl 1P00E961 [0,1,0,0,0,1|2,0,0]=4 2799 B10R1.8 OCc1cc(Cl)cc(n1)C 1P005VXS [0,1,0,0,0,1|1,0,0]=3 2800 B10R1.8 OCc1cc(Cl)cc(n1)Cl 1P00IE6M [0,1,0,0,0,1|2,0,0]=4 2801 B10R1.8 OCc1cc(Cl)nc(c1)Br 1P000JQT [0,1,0,0,0,1|2,0,0]=4 2802 B10R1.8 OCc1cc(Cl)nc(c1)Cl 1P0006N7 [0,1,0,0,0,1|2,0,0]=4 2803 B10R1.8 OCc1cc(Cl)nc(n1)Cl 1P01C1PQ [0,1,0,0,0,1|2,0,0]=4 2804 B10R1.8 OCc1cc(Cl)nc(n1)N 1P020A5Z [0,1,0,0,0,1|2,0,0]=4 2805 B10R1.8 OCc1cc(F)cc(c1)Br 1P003JJK [0,1,0,0,0,1|2,0,0]=4 2806 B10R1.8 OCc1cc(F)cc(c1)Cl 1P003JPZ [0,1,0,0,0,1|2,0,0]=4 2807 B10R1.8 OCc1cc(F)cc(c1)F 1P003J3H [0,1,0,0,0,1|2,0,0]=4 2808 B10R1.8 OCc1cc(F)cc(c1)I 1P00HJMQ [0,1,0,0,0,1|2,0,0]=4 2809 B10R1.8 OCc1cc(I)cc(c1)I 1P00DC4U [0,1,0,0,0,1|2,0,0]=4 2810 B10R1.8 OCc1cc(N)cc(c1)Br 1P021JRI [0,1,0,0,0,1|2,0,0]=4 2811 B10R1.8 OCc1cc(N)cc(c1)Cl 1P0054W3 [0,1,0,0,0,1|2,0,0]=4 2812 B10R1.8 OCc1cc(N)cc(c1)F 1P028WC6 [0,1,0,0,0,1|2,0,0]=4 2813 B10R1.8 OCc1cc(N)cc(c1)I 1P00I7R8 [0,1,0,0,0,1|2,0,0]=4 2814 B10R1.8 OCc1cc(N)cc(c1)O 1P008OD6 [0,1,0,0,0,1|2,0,0]=4 2815 B10R1.8 OCc1cc(N)cc(n1)C 1P027WZ3 [0,1,0,0,0,1|1,0,0]=3 2816 B10R1.8 OCc1cc(O)cc(c1)Br 1P008SGW [0,1,0,0,0,1|2,0,0]=4 2817 B10R1.8 OCc1cc(O)cc(c1)F 1P01BBDN [0,1,0,0,0,1|2,0,0]=4 2818 B10R1.8 OCc1cc(O)cc(c1)O 1P002ZHL [0,1,0,0,0,1|2,0,0]=4 2819 B10R1.8 OCc1nc(C)cc(n1)C 1P00DIIN [0,1,0,0,0,1|1,0,0]=3 2820 B10R1.8 OCc1nc(C)cc(n1)Cl 1P01BFQI [0,1,0,0,0,1|1,0,0]=3 2821 B10R1.8 OCc1nc(C)cc(n1)N 1P000T0R [0,1,0,0,0,1|1,0,0]=3 2822 B10R1.8 OCc1nc(Cl)cc(n1)Cl 1P000MJY [0,1,0,0,0,1|2,0,0]=4 2823 B10R1.8 OCc1nc(O)cc(n1)O 1P00CYD8 [0,1,0,0,0,1|2,0,0]=4 2824 B10R1.8 SCc1cc(C)cc(c1)C 1P019ZTB [0,1,0,0,0,1|1,1,0]=4 2825 B10R1.10 BrCCc1cccc(c1)C 1P001Y74 [0,1,0,0,0,1|2,0,0]=4 2826 B10R1.10 C=CCc1cccc(c1)C 1P003EDX [0,1,0,0,0,1|2,0,0]=4 2827 B10R1.10 CCNc1cccc(c1)C 1P0006PN [0,1,0,0,0,1|2,0,0]=4 2828 B10R1.10 CCOc1cccc(n1)C 1P00ANFJ [0,1,0,0,0,1|2,0,0]=4 2829 B10R1.10 CCOc1ccnc(n1)C 1P00CDGK [0,1,0,0,0,1|2,0,0]=4 2830 B10R1.10 CCOc1cncc(n1)C 1P00DGGE [0,1,0,0,0,1|2,0,0]=4 2831 B10R1.10 CCSc1cccc(c1)C 1P00CURM [0,1,0,0,0,1|2,0,0]=4 2832 B10R1.10 CNCc1cccc(c1)C 1P003K89 [0,1,0,0,0,1|2,0,0]=4 2833 B10R1.10 CNCc1cccc(c1)C 1P028EM9 [0,1,0,0,0,1|2,0,0]=4 2834 B10R1.10 CNCc1cccc(n1)C 1P005V6F [0,1,0,0,0,1|2,0,0]=4 2835 B10R1.10 CNCc1cccc(n1)C 1P01AKXB [0,1,0,0,0,1|2,0,0]=4 2836 B10R1.10 CNCc1ccnc(c1)C 1P00ADF3 [0,1,0,0,0,1|2,0,0]=4 2837 B10R1.10 CNCc1nccc(c1)C 1P028TVU [0,1,0,0,0,1|2,0,0]=4 2838 B10R1.10 COCc1cccc(c1)Br 1P001NU4 [0,1,0,0,0,1|2,0,0]=4 2839 B10R1.10 COCc1cccc(c1)C 1P01H9A5 [0,1,0,0,0,1|1,0,0]=3 2840 B10R1.10 COCc1cccc(c1)N 1P003IPB [0,1,0,0,0,1|2,0,0]=4 2841 B10R1.10 COCc1cccc(c1)O 1P00IANX [0,1,0,0,0,1|2,0,0]=4 2842 B10R1.10 COCc1cccc(n1)Br 1P00921P [0,1,0,0,0,1|2,0,0]=4 2843 B10R1.10 COCc1cccc(n1)C 1P01IP80 [0,1,0,0,0,1|1,0,0]=3 2844 B10R1.10 COCc1ccnc(c1)Br 1P000Z3V [0,1,0,0,0,1|2,0,0]=4 2845 B10R1.10 COCc1ccnc(c1)Cl 1P000NEB [0,1,0,0,0,1|2,0,0]=4 2846 B10R1.10 COCc1ccnc(c1)N 1P01C722 [0,1,0,0,0,1|2,0,0]=4 2847 B10R1.10 COCc1ccnc(n1)Cl 1P000Z3C [0,1,0,0,0,1|2,0,0]=4 2848 B10R1.10 COCc1ccnc(n1)N 1P00A7S2 [0,1,0,0,0,1|2,0,0]=4 2849 B10R1.10 COCc1cncc(c1)Br 1P001ZTN [0,1,0,0,0,1|2,0,0]=4 2850 B10R1.10 COCc1nccc(n1)Cl 1P01BJPW [0,1,0,0,0,1|2,0,0]=4 2851 B10R1.10 COCc1nccc(n1)N 1P003L4I [0,1,0,0,0,1|2,0,0]=4 2852 B10R1.10 Cc1cccc(n1)C=NO 1P000JD9 [0,1,0,0,0,1|1,0,1]=4 2853 B10R1.10 Cc1cccc(n1)CC#N 1P001MM5 [0,1,0,0,0,1|2,0,0]=4 2854 B10R1.10 Cc1cccc(n1)CCBr 1P00J2ET [0,1,0,0,0,1|2,0,0]=4 2855 B10R1.10 Cc1cccc(n1)CCN 1P003FF8 [0,1,0,0,0,1|2,0,0]=4 2856 B10R1.10 Cc1cccc(n1)CCO 1P00GRQ8 [0,1,0,0,0,1|1,0,0]=3 2857 B10R1.10 Cc1cncc(n1)CCO 1P01C499 [0,1,0,0,0,1|1,0,0]=3 2858 B10R1.10 Cc1nc(C=NO)ccn1 1P002X8B [0,1,0,0,0,1|1,0,1]=4 2859 B10R1.10 ClCCc1cccc(c1)C 1P00CS1D [0,1,0,0,0,1|2,0,0]=4 2860 B10R1.10 N#CCc1cccc(c1)C 1P002YYS [0,1,0,0,0,1|2,0,0]=4 2861 B10R1.10 NCCc1cccc(c1)C 1P00DEU2 [0,1,0,0,0,1|2,0,0]=4 2862 B10R1.10 NCCc1cccc(c1)C 1P00DGLD [0,1,0,0,0,1|2,0,0]=4 2863 B10R1.10 NCCc1ccnc(c1)C 1P00F9NH [0,1,0,0,0,1|2,0,0]=4 2864 B10R1.10 NCCc1ccnc(c1)C 1P01EIKC [0,1,0,0,0,1|2,0,0]=4 2865 B10R1.10 NCCc1ccnc(n1)C 1P028RYD [0,1,0,0,0,1|2,0,0]=4 2866 B10R1.10 NCCc1nccc(n1)C 1P01DXCF [0,1,0,0,0,1|2,0,0]=4 2867 B10R1.10 NNCc1cccc(c1)C 1P00J1XM [0,1,0,0,0,1|2,0,0]=4 2868 B10R1.10 NNCc1cccc(c1)C 1P028PB6 [0,1,0,0,0,1|2,0,0]=4 2869 B10R1.10 NNCc1cccc(n1)C 1P01B78Y [0,1,0,0,0,1|2,0,0]=4 2870 B10R1.10 NOCc1cccc(c1)Cl 1P002ZCM [0,1,0,0,0,1|2,0,0]=4 2871 B10R1.10 NOCc1cccc(c1)Cl 1P01T5T0 [0,1,0,0,0,1|2,0,0]=4 2872 B10R1.10 NOCc1cccc(c1)F 1P00DCMO [0,1,0,0,0,1|2,0,0]=4 2873 B10R1.10 NOCc1cccc(n1)C 1P01AG90 [0,1,0,0,0,1|1,0,0]=3 2874 B10R1.10 NOCc1cccc(n1)Cl 1P00BB7Z [0,1,0,0,0,1|2,0,0]=4 2875 B10R1.10 Nc1cc(CCO)ncc1 1P009SDJ [0,1,0,0,0,1|2,0,0]=4 2876 B10R1.10 Nc1cccc(n1)CCO 1P009SDH [0,1,0,0,0,1|2,0,0]=4 2877 B10R1.10 O=CCc1cccc(c1)C 1P005ZAB [0,1,0,0,0,1|1,0,1]=4 2878 B10R1.10 OCCc1cc(Br)ccn1 1P005W1Y [0,1,0,0,0,1|2,0,0]=4 2879 B10R1.10 OCCc1cccc(c1)Br 1P00343L [0,1,0,0,0,1|2,0,0]=4 2880 B10R1.10 OCCc1cccc(c1)C 1P0075A6 [0,1,0,0,0,1|1,0,0]=3 2881 B10R1.10 OCCc1cccc(c1)Cl 1P003JRR [0,1,0,0,0,1|2,0,0]=4 2882 B10R1.10 OCCc1cccc(c1)F 1P003JY4 [0,1,0,0,0,1|2,0,0]=4 2883 B10R1.10 OCCc1cccc(c1)N 1P00D8JE [0,1,0,0,0,1|2,0,0]=4 2884 B10R1.10 OCCc1cccc(c1)O 1P0071LP [0,1,0,0,0,1|2,0,0]=4 2885 B10R1.10 OCCc1cccc(n1)Br 1P00376A [0,1,0,0,0,1|2,0,0]=4 2886 B10R1.10 OCCc1ccnc(c1)Br 1P020KUY [0,1,0,0,0,1|2,0,0]=4 2887 B10R1.10 OCCc1cncc(c1)Br 1P01DZ2M [0,1,0,0,0,1|2,0,0]=4 2888 B10R1.10 OCCc1cncc(c1)F 1P01JUHV [0,1,0,0,0,1|2,0,0]=4 2889 B10R1.10 OCCc1cncc(n1)Cl 1P027UB1 [0,1,0,0,0,1|2,0,0]=4 2890 B10R1.10 OCCc1nccc(n1)C 1P01BABC [0,1,0,0,0,1|1,0,0]=3 2891 B10R1.10 ON=Cc1ccnc(c1)C 1P028WBK [0,1,0,0,0,1|1,0,1]=4 2892 B10R1.10 SCCc1cccc(c1)C 1P01FFL5 [0,1,0,0,0,1|1,1,0]=4 2893 B10R1.30 BrCc1cc(C)ccc1Br 1P002UJS [0,1,0,0,0,1|2,0,0]=4 2894 B10R1.30 BrCc1cc(C)ccc1C 1P006W62 [0,1,0,0,0,1|2,0,0]=4 2895 B10R1.30 BrCc1cc(C)ccc1Cl 1P01FBL1 [0,1,0,0,0,1|2,0,0]=4 2896 B10R1.30 BrCc1cc(C)ccc1F 1P003HR4 [0,1,0,0,0,1|2,0,0]=4 2897 B10R1.30 BrCc1cc(C)cnc1Br 1P028529 [0,1,0,0,0,1|2,0,0]=4 2898 B10R1.30 BrCc1cc(C)ncc1Br 1P028X2S [0,1,0,0,0,1|2,0,0]=4 2899 B10R1.30 BrCc1nc(C)ccc1Br 1P027YVB [0,1,0,0,0,1|2,0,0]=4 2900 B10R1.30 CCc1cc(C)ccc1O 1P00CV2C [0,1,0,0,0,1|2,0,0]=4 2901 B10R1.30 CCc1nc(C)ccc1N 1P020M3R [0,1,0,0,0,1|2,0,0]=4 2902 B10R1.30 CCc1nc(C)ccc1O 1P000XJS [0,1,0,0,0,1|2,0,0]=4 2903 B10R1.30 CCc1nc(C)ccc1O 1P0011CF [0,1,0,0,0,1|2,0,0]=4 2904 B10R1.30 CCc1nc(C)ccc1O 1P002OGM [0,1,0,0,0,1|2,0,0]=4 2905 B10R1.30 CCc1nc(C)cnc1C 1P003A0D [0,1,0,0,0,1|2,0,0]=4 2906 B10R1.30 CCc1nc(C)cnc1C 1P019DEZ [0,1,0,0,0,1|2,0,0]=4 2907 B10R1.30 Cc1cc(CN)c(=O)[nH]c1 1P01BGYI [0,1,0,0,0,1|2,0,0]=4 2908 B10R1.30 ClCc1cc(C)ccc1C 1P003GGG [0,1,0,0,0,1|2,0,0]=4 2909 B10R1.30 ClCc1cc(C)ccc1Cl 1P00I7D1 [0,1,0,0,0,1|2,0,0]=4 2910 B10R1.30 ClCc1cc(C)ccc1F 1P01AVCS [0,1,0,0,0,1|2,0,0]=4 2911 B10R1.30 ClCc1cc(C)cnc1F 1P028NRC [0,1,0,0,0,1|2,0,0]=4 2912 B10R1.30 ClCc1nc(C)ccc1Br 1P01JV22 [0,1,0,0,0,1|2,0,0]=4 2913 B10R1.30 ClCc1nc(C)ccc1C 1P028W29 [0,1,0,0,0,1|2,0,0]=4 2914 B10R1.30 ClCc1nc(C)ccc1Cl 1P00OFF5 [0,1,0,0,0,1|2,0,0]=4 2915 B10R1.30 ClCc1nc(C)ccc1O 1P005VXR [0,1,0,0,0,1|2,0,0]=4 2916 B10R1.30 NCc1cc(C)ccc1Br 1P01C3M7 [0,1,0,0,0,1|2,0,0]=4 2917 B10R1.30 NCc1cc(C)ccc1C 1P00IHWL [0,1,0,0,0,1|2,0,0]=4 2918 B10R1.30 NCc1cc(C)ccc1Cl 1P00I8O3 [0,1,0,0,0,1|2,0,0]=4 2919 B10R1.30 NCc1cc(C)ccc1Cl 1P01DL68 [0,1,0,0,0,1|2,0,0]=4 2920 B10R1.30 NCc1cc(C)ccc1F 1P00GYLW [0,1,0,0,0,1|2,0,0]=4 2921 B10R1.30 NCc1cc(C)ccc1F 1P01DYZ5 [0,1,0,0,0,1|2,0,0]=4 2922 B10R1.30 NCc1cc(C)ccc1I 1P027VYD [0,1,0,0,0,1|2,0,0]=4 2923 B10R1.30 NCc1cc(C)ccc1N 1P0280Q3 [0,1,0,0,0,1|2,0,0]=4 2924 B10R1.30 NCc1cc(C)ccc1O 1P01BVD4 [0,1,0,0,0,1|2,0,0]=4 2925 B10R1.30 NCc1cc(C)cnc1Br 1P028B5J [0,1,0,0,0,1|2,0,0]=4 2926 B10R1.30 NCc1cc(C)cnc1Cl 1P00A0HU [0,1,0,0,0,1|2,0,0]=4 2927 B10R1.30 NCc1cc(C)cnc1F 1P004L36 [0,1,0,0,0,1|2,0,0]=4 2928 B10R1.30 NCc1nc(C)ccc1Br 1P028OBE [0,1,0,0,0,1|2,0,0]=4 2929 B10R1.30 NCc1nc(C)ccc1C 1P01BKZU [0,1,0,0,0,1|2,0,0]=4 2930 B10R1.30 NCc1nc(C)ccc1Cl 1P028KDA [0,1,0,0,0,1|2,0,0]=4 2931 B10R1.30 NCc1nc(C)ccc1F 1P009DVJ [0,1,0,0,0,1|2,0,0]=4 2932 B10R1.30 NCc1nc(C)ccc1O 1P028NTG [0,1,0,0,0,1|2,0,0]=4 2933 B10R1.30 NCc1nc(C)ccc1O 1P028O4U [0,1,0,0,0,1|2,0,0]=4 2934 B10R1.30 OC1=CC=C(Br)C(CO)=C1 1P01KEVA [0,1,0,0,0,1|2,0,0]=4 2935 B10R1.30 OCC1=CC(=O)C=CC1=O 1P00EZ49 [0,1,0,0,0,1|2,0,0]=4 2936 B10R1.30 OCc1cc(Br)c[nH]c1=O 1P01FPCS [0,1,0,0,0,1|2,0,0]=4 2937 B10R1.30 OCc1cc(Br)ccc1Br 1P001F0V [0,1,0,0,0,1|2,0,0]=4 2938 B10R1.30 OCc1cc(Br)ccc1C 1P007NZN [0,1,0,0,0,1|2,0,0]=4 2939 B10R1.30 OCc1cc(Br)ccc1Cl 1P001MME [0,1,0,0,0,1|2,0,0]=4 2940 B10R1.30 OCc1cc(Br)ccc1F 1P00659D [0,1,0,0,0,1|2,0,0]=4 2941 B10R1.30 OCc1cc(Br)ccc1I 1P002CS9 [0,1,0,0,0,1|2,0,0]=4 2942 B10R1.30 OCc1cc(Br)ccc1N 1P002JC4 [0,1,0,0,0,1|2,0,0]=4 2943 B10R1.30 OCc1cc(Br)ccc1O 1P002MVK [0,1,0,0,0,1|2,0,0]=4 2944 B10R1.30 OCc1cc(Br)cnc1C 1P00ILCT [0,1,0,0,0,1|2,0,0]=4 2945 B10R1.30 OCc1cc(Br)cnc1Cl 1P005DSB [0,1,0,0,0,1|2,0,0]=4 2946 B10R1.30 OCc1cc(Br)cnc1F 1P000JUI [0,1,0,0,0,1|2,0,0]=4 2947 B10R1.30 OCc1cc(Br)cnc1N 1P003GWX [0,1,0,0,0,1|2,0,0]=4 2948 B10R1.30 OCc1cc(Br)ncc1Br 1P000JR4 [0,1,0,0,0,1|2,0,0]=4 2949 B10R1.30 OCc1cc(Br)ncc1N 1P01JWHX [0,1,0,0,0,1|2,0,0]=4 2950 B10R1.30 OCc1cc(C)ccc1Br 1P00FHKQ [0,1,0,0,0,1|1,0,0]=3 2951 B10R1.30 OCc1cc(C)ccc1C 1P0033H8 [0,1,0,0,0,1|1,0,0]=3 2952 B10R1.30 OCc1cc(C)ccc1Cl 1P00IGDX [0,1,0,0,0,1|1,0,0]=3 2953 B10R1.30 OCc1cc(C)ccc1F 1P00EC6U [0,1,0,0,0,1|1,0,0]=3 2954 B10R1.30 OCc1cc(C)ccc1I 1P00BFVA [0,1,0,0,0,1|1,0,0]=3 2955 B10R1.30 OCc1cc(C)ccc1N 1P003GY0 [0,1,0,0,0,1|1,0,0]=3 2956 B10R1.30 OCc1cc(C)ccc1O 1P0039V2 [0,1,0,0,0,1|1,0,0]=3 2957 B10R1.30 OCc1cc(C)cnc1Cl 1P00DDE3 [0,1,0,0,0,1|1,0,0]=3 2958 B10R1.30 OCc1cc(C)ncc1Br 1P01FT27 [0,1,0,0,0,1|1,0,0]=3 2959 B10R1.30 OCc1cc(C)ncc1F 1P01JWI2 [0,1,0,0,0,1|1,0,0]=3 2960 B10R1.30 OCc1cc(C)nnc1C 1P01BVGE [0,1,0,0,0,1|2,0,0]=4 2961 B10R1.30 OCc1cc(Cl)ccc1Br 1P0033M7 [0,1,0,0,0,1|2,0,0]=4 2962 B10R1.30 OCc1cc(Cl)ccc1C 1P00EKFC [0,1,0,0,0,1|2,0,0]=4 2963 B10R1.30 OCc1cc(Cl)ccc1Cl 1P003GE2 [0,1,0,0,0,1|2,0,0]=4 2964 B10R1.30 OCc1cc(Cl)ccc1F 1P002HOR [0,1,0,0,0,1|2,0,0]=4 2965 B10R1.30 OCc1cc(Cl)ccc1I 1P008KGY [0,1,0,0,0,1|2,0,0]=4 2966 B10R1.30 OCc1cc(Cl)ccc1N 1P003GXH [0,1,0,0,0,1|2,0,0]=4 2967 B10R1.30 OCc1cc(Cl)ccc1O 1P00D963 [0,1,0,0,0,1|2,0,0]=4 2968 B10R1.30 OCc1cc(Cl)cnc1Br 1P000JT6 [0,1,0,0,0,1|2,0,0]=4 2969 B10R1.30 OCc1cc(Cl)cnc1Cl 1P00IAFN [0,1,0,0,0,1|2,0,0]=4 2970 B10R1.30 OCc1cc(Cl)cnc1F 1P008D43 [0,1,0,0,0,1|2,0,0]=4 2971 B10R1.30 OCc1cc(Cl)ncc1Br 1P009MOS [0,1,0,0,0,1|2,0,0]=4 2972 B10R1.30 OCc1cc(Cl)ncc1F 1P004HS1 [0,1,0,0,0,1|2,0,0]=4 2973 B10R1.30 OCc1cc(Cl)ncc1N 1P00A2RK [0,1,0,0,0,1|2,0,0]=4 2974 B10R1.30 OCc1cc(F)ccc1Br 1P0028Y4 [0,1,0,0,0,1|2,0,0]=4 2975 B10R1.30 OCc1cc(F)ccc1C 1P00711X [0,1,0,0,0,1|2,0,0]=4 2976 B10R1.30 OCc1cc(F)ccc1Cl 1P002SHQ [0,1,0,0,0,1|2,0,0]=4 2977 B10R1.30 OCc1cc(F)ccc1F 1P003BLW [0,1,0,0,0,1|2,0,0]=4 2978 B10R1.30 OCc1cc(F)ccc1I 1P004GRY [0,1,0,0,0,1|2,0,0]=4 2979 B10R1.30 OCc1cc(F)ccc1N 1P0058SK [0,1,0,0,0,1|2,0,0]=4 2980 B10R1.30 OCc1cc(F)ccc1O 1P002O5T [0,1,0,0,0,1|2,0,0]=4 2981 B10R1.30 OCc1cc(F)cnc1C 1P01BVKV [0,1,0,0,0,1|2,0,0]=4 2982 B10R1.30 OCc1cc(F)cnc1Cl 1P00GSVH [0,1,0,0,0,1|2,0,0]=4 2983 B10R1.30 OCc1cc(F)ncc1C 1P020MA7 [0,1,0,0,0,1|2,0,0]=4 2984 B10R1.30 OCc1cc(F)ncc1F 1P01BBA5 [0,1,0,0,0,1|2,0,0]=4 2985 B10R1.30 OCc1cc(I)ccc1Br 1P00H66P [0,1,0,0,0,1|2,0,0]=4 2986 B10R1.30 OCc1cc(I)ccc1C 1P009D68 [0,1,0,0,0,1|2,0,0]=4 2987 B10R1.30 OCc1cc(I)ccc1Cl 1P00HAJV [0,1,0,0,0,1|2,0,0]=4 2988 B10R1.30 OCc1cc(I)ccc1F 1P00JYGL [0,1,0,0,0,1|2,0,0]=4 2989 B10R1.30 OCc1cc(I)ccc1N 1P00DL6D [0,1,0,0,0,1|2,0,0]=4 2990 B10R1.30 OCc1cc(I)ccc1O 1P009D8D [0,1,0,0,0,1|2,0,0]=4 2991 B10R1.30 OCc1cc(I)cnc1N 1P003C26 [0,1,0,0,0,1|2,0,0]=4 2992 B10R1.30 OCc1cc(N)ccc1Br 1P00G9UP [0,1,0,0,0,1|2,0,0]=4 2993 B10R1.30 OCc1cc(N)ccc1Cl 1P0034NE [0,1,0,0,0,1|2,0,0]=4 2994 B10R1.30 OCc1cc(N)ccc1F 1P008GPU [0,1,0,0,0,1|2,0,0]=4 2995 B10R1.30 OCc1cc(N)ccc1O 1P007YNM [0,1,0,0,0,1|2,0,0]=4 2996 B10R1.30 OCc1cc(N)cnc1Br 1P028AYG [0,1,0,0,0,1|2,0,0]=4 2997 B10R1.30 OCc1cc(N)ncc1Br 1P000JT3 [0,1,0,0,0,1|2,0,0]=4 2998 B10R1.30 OCc1cc(O)ccc1C 1P000S7T [0,1,0,0,0,1|2,0,0]=4 2999 B10R1.30 OCc1cc(O)ccc1Cl 1P00H4CV [0,1,0,0,0,1|2,0,0]=4 3000 B10R1.30 OCc1cc(O)ccc1F 1P00DBWH [0,1,0,0,0,1|2,0,0]=4 3001 B10R1.30 OCc1nc(Br)ccc1Br 1P01KLRL [0,1,0,0,0,1|2,0,0]=4 3002 B10R1.30 OCc1nc(Br)ccc1F 1P006CDZ [0,1,0,0,0,1|2,0,0]=4 3003 B10R1.30 OCc1nc(Br)cnc1N 1P000RYW [0,1,0,0,0,1|2,0,0]=4 3004 B10R1.30 OCc1nc(C)ccc1Br 1P00JYKK [0,1,0,0,0,1|1,0,0]=3 3005 B10R1.30 OCc1nc(C)ccc1C 1P004WQH [0,1,0,0,0,1|1,0,0]=3 3006 B10R1.30 OCc1nc(C)ccc1N 1P00I6LL [0,1,0,0,0,1|1,0,0]=3 3007 B10R1.30 OCc1nc(C)ccc1O 1P003FJ8 [0,1,0,0,0,1|1,0,0]=3 3008 B10R1.30 OCc1nc(Cl)ccc1Br 1P000JUD [0,1,0,0,0,1|2,0,0]=4 3009 B10R1.30 OCc1nc(Cl)ccc1Cl 1P00F2BN [0,1,0,0,0,1|2,0,0]=4 3010 B10R1.30 OCc1nc(F)ccc1Br 1P01A7DS [0,1,0,0,0,1|2,0,0]=4 3011 B10R1.30 OCc1nc(N)ccc1Cl 1P01AKEQ [0,1,0,0,0,1|2,0,0]=4 3012 B10R1.30 SCc1cc(C)ccc1C 1P01ABP9 [0,1,0,0,0,1|1,1,0]=4 3013 B10R1.113 Brc1cccc(c1)C(O)C 1P003DD6 [0,1,0,0,0,1|2,0,0]=4 3014 B10R1.113 Brc1cccc(c1)[C@@H](O)C 1P009B9B [0,1,0,0,0,1|2,0,0]=4 3015 B10R1.113 Brc1cccc(c1)[C@H](O)C 1P00HTTB [0,1,0,0,0,1|2,0,0]=4 3016 B10R1.113 Brc1cccc(n1)C(O)C 1P009E7E [0,1,0,0,0,1|2,0,0]=4 3017 B10R1.113 Brc1cccc(n1)[C@H](O)C 1P009JQ2 [0,1,0,0,0,1|2,0,0]=4 3018 B10R1.113 CC(c1cc(Br)ccn1)O 1P001F34 [0,1,0,0,0,1|2,0,0]=4 3019 B10R1.113 CC(c1cc(Br)cnc1)O 1P00BHS0 [0,1,0,0,0,1|2,0,0]=4 3020 B10R1.113 CC(c1cc(Cl)ccn1)O 1P01FTR6 [0,1,0,0,0,1|2,0,0]=4 3021 B10R1.113 CC(c1cc(F)cnc1)O 1P009JKY [0,1,0,0,0,1|2,0,0]=4 3022 B10R1.113 CC1=NC=CC(=C1)C(C)N 1P01FWUO [0,1,0,0,0,1|2,0,0]=4 3023 B10R1.113 C[C@@H](c1cc(Br)cnc1)O 1P028FL5 [0,1,0,0,0,1|2,0,0]=4 3024 B10R1.113 C[C@@H](c1cc(F)ccn1)O 1P028NPD [0,1,0,0,0,1|2,0,0]=4 3025 B10R1.113 C[C@H](c1cc(Br)cnc1)O 1P028H8P [0,1,0,0,0,1|2,0,0]=4 3026 B10R1.113 C[C@H](c1cc(F)ccn1)O 1P0288JJ [0,1,0,0,0,1|2,0,0]=4 3027 B10R1.113 Cc1cc(cnc1)C(=O)O 1P003ND1 [0,1,0,0,0,1|1,0,1]=4 3028 B10R1.113 Cc1cc(ncc1)C(=O)O 1P0036FE [0,1,0,0,0,1|1,0,1]=4 3029 B10R1.113 Cc1cccc(c1)B(O)O 1P0027EH [0,1,0,0,0,1|2,0,0]=4 3030 B10R1.113 Cc1cccc(c1)C(=O)O 1P003SN2 [0,1,0,0,0,1|1,0,1]=4 3031 B10R1.113 Cc1cccc(c1)C(Br)C 1P004E6B [0,1,0,0,0,1|2,0,0]=4 3032 B10R1.113 Cc1cccc(c1)C(C)C 1P003RXB [0,1,0,0,0,1|2,0,0]=4 3033 B10R1.113 Cc1cccc(c1)C(Cl)C 1P002CJO [0,1,0,0,0,1|2,0,0]=4 3034 B10R1.113 Cc1cccc(c1)C(N)C 1P00372B [0,1,0,0,0,1|2,0,0]=4 3035 B10R1.113 Cc1cccc(c1)C(N)C 1P00GATB [0,1,0,0,0,1|2,0,0]=4 3036 B10R1.113 Cc1cccc(c1)C(O)C 1P00FJ2F [0,1,0,0,0,1|1,0,0]=3 3037 B10R1.113 Cc1cccc(c1)[C@@H](N)C 1P0019NW [0,1,0,0,0,1|2,0,0]=4 3038 B10R1.113 Cc1cccc(c1)[C@@H](N)C 1P00J3RI [0,1,0,0,0,1|2,0,0]=4 3039 B10R1.113 Cc1cccc(c1)[C@@H](O)C 1P00DKFI [0,1,0,0,0,1|1,0,0]=3 3040 B10R1.113 Cc1cccc(c1)[C@H](N)C 1P000DMK [0,1,0,0,0,1|2,0,0]=4 3041 B10R1.113 Cc1cccc(c1)[C@H](N)C 1P0019NV [0,1,0,0,0,1|2,0,0]=4 3042 B10R1.113 Cc1cccc(c1)[C@H](O)C 1P00CLM5 [0,1,0,0,0,1|1,0,0]=3 3043 B10R1.113 Cc1cccc(n1)B(O)O 1P00BYL7 [0,1,0,0,0,1|2,0,0]=4 3044 B10R1.113 Cc1cccc(n1)C(=O)O 1P0034U5 [0,1,0,0,0,1|1,0,1]=4 3045 B10R1.113 Cc1cccc(n1)C(F)F 1P00HAD0 [0,1,0,0,0,1|2,0,0]=4 3046 B10R1.113 Cc1cccc(n1)C(N)C 1P0092TC [0,1,0,0,0,1|2,0,0]=4 3047 B10R1.113 Cc1cccc(n1)C(N)C 1P00IASS [0,1,0,0,0,1|2,0,0]=4 3048 B10R1.113 Cc1cccc(n1)[C@@H](N)C 1P01A3P2 [0,1,0,0,0,1|2,0,0]=4 3049 B10R1.113 Cc1cccc(n1)[C@H](N)C 1P01A27S [0,1,0,0,0,1|2,0,0]=4 3050 B10R1.113 Cc1cccc(n1)[C@H](O)C 1P00FGLE [0,1,0,0,0,1|1,0,0]=3 3051 B10R1.113 Cc1ccnc(c1)C(C)C 1P0281YR [0,1,0,0,0,1|2,0,0]=4 3052 B10R1.113 Cc1ccnc(c1)C(N)C 1P0092TB [0,1,0,0,0,1|2,0,0]=4 3053 B10R1.113 Cc1ccnc(c1)C(N)C 1P00EA7G [0,1,0,0,0,1|2,0,0]=4 3054 B10R1.113 Cc1ccnc(n1)C(=O)O 1P00379X [0,1,0,0,0,1|1,0,1]=4 3055 B10R1.113 Cc1ccnc(n1)C(=O)O 1P01BGUE [0,1,0,0,0,1|1,0,1]=4 3056 B10R1.113 Cc1ccnc(n1)C(N)C 1P01C2Y9 [0,1,0,0,0,1|2,0,0]=4 3057 B10R1.113 Cc1cncc(c1)C(C)C 1P01XDSD [0,1,0,0,0,1|2,0,0]=4 3058 B10R1.113 Cc1cncc(c1)C(N)C 1P01ANWN [0,1,0,0,0,1|2,0,0]=4 3059 B10R1.113 Cc1cncc(n1)C(=O)O 1P0036OU [0,1,0,0,0,1|1,0,1]=4 3060 B10R1.113 Cc1nccc(c1)B(O)O 1P0037HU [0,1,0,0,0,1|2,0,0]=4 3061 B10R1.113 Cc1nccc(c1)B(O)O 1P004KMO [0,1,0,0,0,1|2,0,0]=4 3062 B10R1.113 Cc1nccc(c1)C(=O)O 1P0033UX [0,1,0,0,0,1|1,0,1]=4 3063 B10R1.113 Cc1nccc(c1)C(C)C 1P0281QQ [0,1,0,0,0,1|2,0,0]=4 3064 B10R1.113 Cc1nccc(c1)C(N)C 1P0096SP [0,1,0,0,0,1|2,0,0]=4 3065 B10R1.113 Cc1nccc(c1)[C@@H](O)C 1P0288JA [0,1,0,0,0,1|1,0,0]=3 3066 B10R1.113 Cc1nccc(c1)[C@H](O)C 1P028FDW [0,1,0,0,0,1|1,0,0]=3 3067 B10R1.113 Cc1nccc(n1)B(O)O 1P00EJ07 [0,1,0,0,0,1|2,0,0]=4 3068 B10R1.113 Cc1nccc(n1)C(=O)O 1P007N4X [0,1,0,0,0,1|1,0,1]=4 3069 B10R1.113 Cc1nccc(n1)C(N)C 1P01BD20 [0,1,0,0,0,1|2,0,0]=4 3070 B10R1.113 Clc1cccc(c1)C(O)C 1P003DDG [0,1,0,0,0,1|2,0,0]=4 3071 B10R1.113 Clc1cccc(c1)[C@@H](O)C 1P009BSV [0,1,0,0,0,1|2,0,0]=4 3072 B10R1.113 Clc1cccc(c1)[C@H](O)C 1P000QTO [0,1,0,0,0,1|2,0,0]=4 3073 B10R1.113 Clc1nccc(c1)C(O)C 1P01BGTO [0,1,0,0,0,1|2,0,0]=4 3074 B10R1.113 Clc1nccc(n1)C(O)C 1P01KWFK [0,1,0,0,0,1|2,0,0]=4 3075 B10R1.113 Fc1cccc(c1)C(O)C 1P003DDQ [0,1,0,0,0,1|2,0,0]=4 3076 B10R1.113 Fc1cccc(c1)[C@@H](O)C 1P000TCI [0,1,0,0,0,1|2,0,0]=4 3077 B10R1.113 Fc1cccc(c1)[C@H](O)C 1P000TDQ [0,1,0,0,0,1|2,0,0]=4 3078 B10R1.113 Fc1cccc(n1)C(O)C 1P01BYDW [0,1,0,0,0,1|2,0,0]=4 3079 B10R1.113 Ic1cccc(c1)C(O)C 1P024HK1 [0,1,0,0,0,1|2,0,0]=4 3080 B10R1.113 Nc1cccc(c1)C(O)C 1P002OXT [0,1,0,0,0,1|2,0,0]=4 3081 B10R1.113 Nc1cccc(c1)[C@@H](O)C 1P01DZPI [0,1,0,0,0,1|2,0,0]=4 3082 B10R1.113 Nc1cccc(c1)[C@H](O)C 1P01EMV6 [0,1,0,0,0,1|2,0,0]=4 3083 B10R1.113 Nc1cccc(n1)C(O)C 1P027VPM [0,1,0,0,0,1|2,0,0]=4 3084 B10R1.113 O=c1cccc(o1)C(=O)O 1P005Q2O [0,1,0,0,0,1|1,0,1]=4 3085 B10R1.113 OB(c1cncc(c1)C)O 1P001ZTM [0,1,0,0,0,1|2,0,0]=4 3086 B10R1.113 OB(c1cncc(n1)C)O 1P01E1AV [0,1,0,0,0,1|2,0,0]=4 3087 B10R1.113 OB(c1nccc(c1)C)O 1P007AHH [0,1,0,0,0,1|2,0,0]=4 3088 B10R1.113 Oc1cccc(c1)C(O)C 1P003DDU [0,1,0,0,0,1|2,0,0]=4 3089 B10R1.113 Oc1cccc(c1)[C@H](O)C 1P00EL2Y [0,1,0,0,0,1|2,0,0]=4 3090 B10R1.172 BrCc1cccc(c1)CBr 1P003DYG [0,1,0,0,0,1|2,0,0]=4 3091 B10R1.172 BrCc1cccc(c1)OC 1P003K42 [0,1,0,0,0,1|2,0,0]=4 3092 B10R1.172 BrCc1cccc(c1)SC 1P01B38M [0,1,0,0,0,1|2,0,0]=4 3093 B10R1.172 BrCc1cccc(n1)CBr 1P0033HH [0,1,0,0,0,1|2,0,0]=4 3094 B10R1.172 BrCc1cccc(n1)OC 1P001OYU [0,1,0,0,0,1|2,0,0]=4 3095 B10R1.172 BrCc1cncc(c1)CBr 1P01AMSL [0,1,0,0,0,1|2,0,0]=4 3096 B10R1.172 BrCc1cncc(c1)OC 1P028L61 [0,1,0,0,0,1|2,0,0]=4 3097 B10R1.172 CCc1cccc(c1)CBr 1P01B28K [0,1,0,0,0,1|2,0,0]=4 3098 B10R1.172 CCc1cccc(c1)CN 1P01C5SC [0,1,0,0,0,1|2,0,0]=4 3099 B10R1.172 CCc1cccc(c1)CO 1P00GPWE [0,1,0,0,0,1|1,0,0]=3 3100 B10R1.172 CCc1cccc(c1)NC 1P01C2IG [0,1,0,0,0,1|2,0,0]=4 3101 B10R1.172 CCc1cccc(c1)OC 1P009OIF [0,1,0,0,0,1|2,0,0]=4 3102 B10R1.172 CCc1cccc(n1)CC 1P00GUYL [0,1,0,0,0,1|2,0,0]=4 3103 B10R1.172 CCc1cccc(n1)CO 1P001UR0 [0,1,0,0,0,1|1,0,0]=3 3104 B10R1.172 CCc1cccc(n1)NC 1P01ENG4 [0,1,0,0,0,1|2,0,0]=4 3105 B10R1.172 CCc1ccnc(c1)CN 1P007PLL [0,1,0,0,0,1|2,0,0]=4 3106 B10R1.172 CCc1ccnc(n1)CC 1P003G8P [0,1,0,0,0,1|2,0,0]=4 3107 B10R1.172 CCc1cncc(c1)CN 1P0285D6 [0,1,0,0,0,1|2,0,0]=4 3108 B10R1.172 CCc1cncc(n1)CC 1P000V90 [0,1,0,0,0,1|2,0,0]=4 3109 B10R1.172 CCc1nccc(c1)CBr 1P028FGY [0,1,0,0,0,1|2,0,0]=4 3110 B10R1.172 CNc1ccnc(c1)CN 1P0292FM [0,1,0,0,0,1|2,0,0]=4 3111 B10R1.172 CNc1nccc(c1)CN 1P00ENMY [0,1,0,0,0,1|2,0,0]=4 3112 B10R1.172 CNc1nccc(c1)CO 1P00BBQ6 [0,1,0,0,0,1|1,0,0]=3 3113 B10R1.172 CNc1nccc(c1)CO 1P01AGPD [0,1,0,0,0,1|1,0,0]=3 3114 B10R1.172 CNc1nccc(n1)CO 1P01JI0A [0,1,0,0,0,1|1,0,0]=3 3115 B10R1.172 COc1ccnc(c1)CBr 1P028FYA [0,1,0,0,0,1|2,0,0]=4 3116 B10R1.172 COc1ccnc(c1)CCl 1P00ELEQ [0,1,0,0,0,1|2,0,0]=4 3117 B10R1.172 COc1ccnc(c1)CN 1P007517 [0,1,0,0,0,1|2,0,0]=4 3118 B10R1.172 COc1ccnc(c1)CN 1P009DUI [0,1,0,0,0,1|2,0,0]=4 3119 B10R1.172 COc1ccnc(c1)CO 1P001XBR [0,1,0,0,0,1|1,0,0]=3 3120 B10R1.172 COc1ccnc(n1)CCl 1P00H164 [0,1,0,0,0,1|2,0,0]=4 3121 B10R1.172 COc1ccnc(n1)CN 1P00IGU1 [0,1,0,0,0,1|2,0,0]=4 3122 B10R1.172 COc1ccnc(n1)CN 1P00IL9G [0,1,0,0,0,1|2,0,0]=4 3123 B10R1.172 COc1ccnc(n1)CO 1P00D5DF [0,1,0,0,0,1|1,0,0]=3 3124 B10R1.172 COc1cnnc(c1)CO 1P00IBJJ [0,1,0,0,0,1|2,0,0]=4 3125 B10R1.172 COc1nccc(c1)CBr 1P0081MW [0,1,0,0,0,1|2,0,0]=4 3126 B10R1.172 COc1nccc(c1)CBr 1P01XD38 [0,1,0,0,0,1|2,0,0]=4 3127 B10R1.172 COc1nccc(c1)CCl 1P007RI9 [0,1,0,0,0,1|2,0,0]=4 3128 B10R1.172 COc1nccc(c1)CCl 1P00C7BJ [0,1,0,0,0,1|2,0,0]=4 3129 B10R1.172 COc1nccc(c1)CN 1P001LQN [0,1,0,0,0,1|2,0,0]=4 3130 B10R1.172 COc1nccc(c1)CN 1P008V8P [0,1,0,0,0,1|2,0,0]=4 3131 B10R1.172 COc1nccc(c1)CO 1P000KIY [0,1,0,0,0,1|1,0,0]=3 3132 B10R1.172 COc1nccc(n1)CCl 1P00IIPQ [0,1,0,0,0,1|2,0,0]=4 3133 B10R1.172 COc1nccc(n1)CN 1P0029Z4 [0,1,0,0,0,1|2,0,0]=4 3134 B10R1.172 COc1nccc(n1)CN 1P00H6TK [0,1,0,0,0,1|2,0,0]=4 3135 B10R1.172 COc1nccc(n1)CO 1P00C7AV [0,1,0,0,0,1|1,0,0]=3 3136 B10R1.172 CSc1nccc(c1)CN 1P01A4TQ [0,1,0,0,0,1|2,0,0]=4 3137 B10R1.172 CSc1nccc(n1)CN 1P000W6J [0,1,0,0,0,1|2,0,0]=4 3138 B10R1.172 CSc1nccc(n1)CO 1P0095X4 [0,1,0,0,0,1|1,0,0]=3 3139 B10R1.172 ClCc1cccc(c1)CCl 1P00IBIE [0,1,0,0,0,1|2,0,0]=4 3140 B10R1.172 ClCc1cccc(c1)OC 1P003K43 [0,1,0,0,0,1|2,0,0]=4 3141 B10R1.172 ClCc1cccc(n1)CCl 1P0032BM [0,1,0,0,0,1|2,0,0]=4 3142 B10R1.172 ClCc1cccc(n1)CCl 1P0037JF [0,1,0,0,0,1|2,0,0]=4 3143 B10R1.172 ClCc1cccc(n1)OC 1P004O2C [0,1,0,0,0,1|2,0,0]=4 3144 B10R1.172 ClCc1cccc(n1)OC 1P00CM0R [0,1,0,0,0,1|2,0,0]=4 3145 B10R1.172 ClCc1cncc(c1)CCl 1P009737 [0,1,0,0,0,1|2,0,0]=4 3146 B10R1.172 ClCc1cncc(c1)OC 1P01BC6T [0,1,0,0,0,1|2,0,0]=4 3147 B10R1.172 ClCc1cncc(n1)OC 1P01BVCW [0,1,0,0,0,1|2,0,0]=4 3148 B10R1.172 NCc1cccc(c1)CN 1P001FKQ [0,1,0,0,0,1|2,0,0]=4 3149 B10R1.172 NCc1cccc(c1)CO 1P0036D4 [0,1,0,0,0,1|1,0,0]=3 3150 B10R1.172 NCc1cccc(c1)CO 1P00C9YT [0,1,0,0,0,1|1,0,0]=3 3151 B10R1.172 NCc1cccc(c1)NC 1P00G515 [0,1,0,0,0,1|2,0,0]=4 3152 B10R1.172 NCc1cccc(c1)OC 1P00395P [0,1,0,0,0,1|2,0,0]=4 3153 B10R1.172 NCc1cccc(c1)SC 1P0066JI [0,1,0,0,0,1|2,0,0]=4 3154 B10R1.172 NCc1cccc(c1)SC 1P00J1G6 [0,1,0,0,0,1|2,0,0]=4 3155 B10R1.172 NCc1cccc(n1)CN 1P00CN9P [0,1,0,0,0,1|2,0,0]=4 3156 B10R1.172 NCc1cccc(n1)CO 1P01B8LT [0,1,0,0,0,1|1,0,0]=3 3157 B10R1.172 NCc1cccc(n1)CO 1P01B8MZ [0,1,0,0,0,1|1,0,0]=3 3158 B10R1.172 NCc1cccc(n1)OC 1P00APL6 [0,1,0,0,0,1|2,0,0]=4 3159 B10R1.172 NCc1cccc(n1)OC 1P00H7RJ [0,1,0,0,0,1|2,0,0]=4 3160 B10R1.172 NCc1cccc(n1)OC 1P01DUNJ [0,1,0,0,0,1|2,0,0]=4 3161 B10R1.172 NCc1ccnc(c1)CO 1P01C61X [0,1,0,0,0,1|1,0,0]=3 3162 B10R1.172 NCc1ccnc(c1)CO 1P01C61Y [0,1,0,0,0,1|1,0,0]=3 3163 B10R1.172 NCc1ccnc(c1)CO 1P01KKPN [0,1,0,0,0,1|1,0,0]=3 3164 B10R1.172 NCc1cncc(c1)OC 1P008UBN [0,1,0,0,0,1|2,0,0]=4 3165 B10R1.172 NCc1cncc(c1)OC 1P01C5OX [0,1,0,0,0,1|2,0,0]=4 3166 B10R1.172 NCc1cncc(c1)OC 1P027XGG [0,1,0,0,0,1|2,0,0]=4 3167 B10R1.172 NCc1cncc(c1)SC 1P0293E9 [0,1,0,0,0,1|2,0,0]=4 3168 B10R1.172 NCc1cncc(n1)OC 1P01EIHZ [0,1,0,0,0,1|2,0,0]=4 3169 B10R1.172 NCc1cncc(n1)OC 1P0240IS [0,1,0,0,0,1|2,0,0]=4 3170 B10R1.172 OCc1cccc(c1)C#C 1P008ZIN [0,1,0,0,0,1|1,0,1]=4 3171 B10R1.172 OCc1cccc(c1)C#N 1P003JSV [0,1,0,0,0,1|1,0,1]=4 3172 B10R1.172 OCc1cccc(c1)C=O 1P00D965 [0,1,0,0,0,1|1,0,1]=4 3173 B10R1.172 OCc1cccc(c1)CBr 1P00535S [0,1,0,0,0,1|1,0,0]=3 3174 B10R1.172 OCc1cccc(c1)CCl 1P00ATCG [0,1,0,0,0,1|1,0,0]=3 3175 B10R1.172 OCc1cccc(c1)CO 1P003DXO [0,1,0,0,0,1|1,0,0]=3 3176 B10R1.172 OCc1cccc(c1)NC 1P00HGR2 [0,1,0,0,0,1|1,0,0]=3 3177 B10R1.172 OCc1cccc(c1)NC 1P01A3B1 [0,1,0,0,0,1|1,0,0]=3 3178 B10R1.172 OCc1cccc(c1)OC 1P003K41 [0,1,0,0,0,1|1,0,0]=3 3179 B10R1.172 OCc1cccc(c1)SC 1P00F2J4 [0,1,0,0,0,1|1,0,0]=3 3180 B10R1.172 OCc1cccc(n1)C#C 1P00G9DX [0,1,0,0,0,1|1,0,1]=4 3181 B10R1.172 OCc1cccc(n1)C#N 1P00DAPF [0,1,0,0,0,1|1,0,1]=4 3182 B10R1.172 OCc1cccc(n1)C=O 1P00C8T9 [0,1,0,0,0,1|1,0,1]=4 3183 B10R1.172 OCc1cccc(n1)CBr 1P003CF8 [0,1,0,0,0,1|1,0,0]=3 3184 B10R1.172 OCc1cccc(n1)CO 1P000JD3 [0,1,0,0,0,1|1,0,0]=3 3185 B10R1.172 OCc1cccc(n1)OC 1P00EAGU [0,1,0,0,0,1|1,0,0]=3 3186 B10R1.172 OCc1ccnc(c1)C#N 1P005PAO [0,1,0,0,0,1|1,0,1]=4 3187 B10R1.172 OCc1ccnc(c1)C=O 1P00CGE5 [0,1,0,0,0,1|1,0,1]=4 3188 B10R1.172 OCc1cncc(c1)C#N 1P007LZV [0,1,0,0,0,1|1,0,1]=4 3189 B10R1.172 OCc1cncc(c1)CO 1P00C2D7 [0,1,0,0,0,1|1,0,0]=3 3190 B10R1.172 OCc1cncc(c1)OC 1P00GXMJ [0,1,0,0,0,1|1,0,0]=3 3191 B10R1.172 OCc1nccc(c1)C#C 1P028A3T [0,1,0,0,0,1|1,0,1]=4 3192 B10R1.172 OCc1nccc(c1)C#N 1P00DGSW [0,1,0,0,0,1|1,0,1]=4 3193 B10R1.172 OCc1nccc(c1)C=O 1P01KMEY [0,1,0,0,0,1|1,0,1]=4 3194 B10R1.172 OCc1ncnc(c1)OC 1P01Z9RI [0,1,0,0,0,1|2,0,0]=4 3195 B10R1.172 SCc1cccc(c1)CS 1P003DXN [0,1,0,0,0,1|1,1,0]=4 3196 B10R1.172 SCc1cccc(c1)OC 1P006416 [0,1,0,0,0,1|1,1,0]=4 3197 B10R1.14 BrCC(=O)c1ccc(o1)Br 1P001ZIF [0,2,0,0,0,0|2,0,0]=4 3198 B10R1.14 CC(c1ccc(o1)C)C#N 1P01EK54 [0,2,0,0,0,0|1,0,0]=3 3199 B10R1.14 CCC(=O)c1ccc(o1)C 1P0038SV [0,2,0,0,0,0|1,0,0]=3 3200 B10R1.14 CCC(=O)c1ccc(s1)C 1P00EE39 [0,2,0,0,0,0|1,1,0]=4 3201 B10R1.14 CCC(c1ccc(o1)C)N 1P00231Y [0,2,0,0,0,0|1,0,0]=3 3202 B10R1.14 CC[C@@H](c1ccc(o1)C)N 1P00232F [0,2,0,0,0,0|1,0,0]=3 3203 B10R1.14 CC[C@@H](c1ccc(o1)C)N 1P00DG8E [0,2,0,0,0,0|1,0,0]=3 3204 B10R1.14 CC[C@H](c1ccc(o1)C)N 1P00G42G [0,2,0,0,0,0|1,0,0]=3 3205 B10R1.14 CNC(c1ccc(s1)C)C 1P00HEUN [0,2,0,0,0,0|1,1,0]=4 3206 B10R1.14 COC(=O)c1ccc([nH]1)C 1P000J5X [0,2,0,0,0,0|1,0,1]=4 3207 B10R1.14 COC(=O)c1ccc(o1)Br 1P003SDZ [0,2,0,0,0,0|1,0,1]=4 3208 B10R1.14 COC(=O)c1ccc(o1)C 1P003SEP [0,2,0,0,0,0|0,0,1]=3 3209 B10R1.14 COC(=O)c1ccc(o1)Cl 1P003SEC [0,2,0,0,0,0|1,0,1]=4 3210 B10R1.14 COC(=O)c1ccc(o1)N 1P007ONX [0,2,0,0,0,0|1,0,1]=4 3211 B10R1.14 COC(=O)c1ccc(s1)C 1P00AR6J [0,2,0,0,0,0|0,1,1]=4 3212 B10R1.14 COC(=O)c1cnc(o1)C 1P0037E6 [0,2,0,0,0,0|1,0,1]=4 3213 B10R1.14 COC(=O)c1ncc(o1)C 1P000NEY [0,2,0,0,0,0|1,0,1]=4 3214 B10R1.14 Cc1ccc(o1)C(=O)CBr 1P001UJS [0,2,0,0,0,0|1,0,0]=3 3215 B10R1.14 Cc1ccc(o1)C(=O)NN 1P002K50 [0,2,0,0,0,0|0,0,2]=4 3216 B10R1.14 Cc1ccc(o1)C(CN)N 1P01A3GH [0,2,0,0,0,0|1,0,0]=3 3217 B10R1.14 Cc1ccc(o1)C(CN)O 1P01AKYQ [0,2,0,0,0,0|0,0,0]=2 3218 B10R1.14 Cc1ccc(o1)\C(=N\O)\N 1P00J2WW [0,2,0,0,0,0|0,0,1]=3 3219 B10R1.14 Cc1ccc(s1)C(=O)CBr 1P007X7D [0,2,0,0,0,0|1,1,0]=4 3220 B10R1.14 Cc1ccc(s1)C(=O)CCl 1P00CM4H [0,2,0,0,0,0|1,1,0]=4 3221 B10R1.14 Cc1ccc(s1)C(=O)CN 1P00014J [0,2,0,0,0,0|1,1,0]=4 3222 B10R1.14 Cc1ccc(s1)C(CO)N 1P019TFN [0,2,0,0,0,0|0,1,0]=3 3223 B10R1.14 ClCC(=O)c1ccc(o1)Cl 1P01DWFN [0,2,0,0,0,0|2,0,0]=4 3224 B10R1.14 NCC(c1ccc(s1)Cl)O 1P019T2T [0,2,0,0,0,0|1,1,0]=4 3225 B10R1.14 NCC(c1ccc(s1)Cl)O 1P0285BO [0,2,0,0,0,0|1,1,0]=4 3226 B10R1.14 OCC(c1ccn(n1)C)N 1P01JVAM [0,2,0,0,0,0|2,0,0]=4 3227 B10R1.16 CCNCc1ccc(o1)C 1P00J2EX [0,2,0,0,0,0|1,0,0]=3 3228 B10R1.16 COCCc1ccc(s1)Br 1P028LX1 [0,2,0,0,0,0|1,1,0]=4 3229 B10R1.16 CONCc1ccc(o1)C 1P01C0UN [0,2,0,0,0,0|0,0,0]=2 3230 B10R1.16 Cc1ccc(o1)CCC=O 1P007D0Q [0,2,0,0,0,0|0,0,1]=3 3231 B10R1.16 Cc1ccc(o1)\C=C\C=O 1P00DIF2 [0,2,0,0,0,0|0,0,2]=4 3232 B10R1.16 Cc1ccc(s1)CCC#N 1P0288HP [0,2,0,0,0,0|1,1,0]=4 3233 B10R1.16 Cc1ccc(s1)CCCN 1P00016G [0,2,0,0,0,0|1,1,0]=4 3234 B10R1.16 Cc1nnc(o1)CCCO 1P01XID6 [0,2,0,0,0,0|2,0,0]=4 3235 B10R1.16 [N-]=[N+]=NCc1ccc(o1)C 1P01A2XZ [0,2,0,0,0,0|1,0,0]=3 3236 B10R1.54 CC(Cc1ccc(s1)C)N 1P01AKCX [0,2,0,0,0,0|1,1,0]=4 3237 B10R1.54 CC(Cc1ccc(s1)Cl)O 1P01A36V [0,2,0,0,0,0|1,1,0]=4 3238 B10R1.54 CC(Cc1csc(n1)C)O 1P01C7KR [0,2,0,0,0,0|2,0,0]=4 3239 B10R1.54 CC(Cc1scc(n1)C)O 1P01DX9M [0,2,0,0,0,0|2,0,0]=4 3240 B10R1.54 CN(Cc1ccc(o1)C)C 1P001KUV [0,2,0,0,0,0|1,0,0]=3 3241 B10R1.54 CN(Cc1ccc(s1)C)C 1P02235Y [0,2,0,0,0,0|1,1,0]=4 3242 B10R1.54 Cc1c[nH]c(n1)CC(=O)O 1P0280S4 [0,2,0,0,0,0|2,0,0]=4 3243 B10R1.54 Cc1cc(sc1)CC(=O)O 1P01DVCZ [0,2,0,0,0,0|2,0,0]=4 3244 B10R1.54 Cc1ccc(o1)CC(=O)O 1P00VUZG [0,2,0,0,0,0|0,0,0]=2 3245 B10R1.54 Cc1ccc(s1)CC(=O)O 1P00FHIB [0,2,0,0,0,0|0,1,0]=3 3246 B10R1.54 Cc1ccn(n1)CC(=O)O 1P0022R5 [0,2,0,0,0,0|2,0,0]=4 3247 B10R1.54 Cc1ccn(n1)CC(=O)O 1P01ANRT [0,2,0,0,0,0|2,0,0]=4 3248 B10R1.54 Cc1cnc(o1)CC(=O)O 1P01C0YK [0,2,0,0,0,0|1,0,0]=3 3249 B10R1.54 Cc1nc(c[nH]1)CC(=O)O 1P028O2E [0,2,0,0,0,0|2,0,0]=4 3250 B10R1.54 Cc1nc(co1)CC(=O)O 1P00JBBQ [0,2,0,0,0,0|2,0,0]=4 3251 B10R1.54 Cc1nc(cs1)CC(=O)O 1P001882 [0,2,0,0,0,0|2,0,0]=4 3252 B10R1.54 Cc1ncc(o1)CC(=O)O 1P01BWBU [0,2,0,0,0,0|1,0,0]=3 3253 B10R1.54 Cc1ncc(s1)CC(=O)O 1P00DBQN [0,2,0,0,0,0|1,1,0]=4 3254 B10R1.54 Cc1nnc(o1)CC(=O)O 1P00H3LF [0,2,0,0,0,0|2,0,0]=4 3255 B10R1.54 Cn1ccc(n1)CC(=O)O 1P003AWT [0,2,0,0,0,0|2,0,0]=4 3256 B10R1.54 Cn1ccc(n1)CC(=O)O 1P01C4SJ [0,2,0,0,0,0|2,0,0]=4 3257 B10R1.54 OC(=O)Cc1ccc(s1)Br 1P00FI4L [0,2,0,0,0,0|1,1,0]=4 3258 B10R1.54 OC(=O)Cc1ccc(s1)Cl 1P00HV58 [0,2,0,0,0,0|1,1,0]=4 3259 B10R1.54 OC(=O)Cc1ccn(c1)C 1P00J3XI [0,2,0,0,0,0|2,0,0]=4 3260 B10R1.54 OC(=O)Cc1csc(c1)C 1P01BC1B [0,2,0,0,0,0|2,0,0]=4 3261 B10R1.54 [O-]C(=O)Cc1ncc(o1)C 1P01C0UD [0,2,0,0,0,0|1,0,1]=4 3262 B10R1.96 CCCc1ccc(o1)C=O 1P001KVP [0,2,0,0,0,0|0,0,2]=4 3263 B10R1.96 CCCc1ncc(o1)CN 1P01C1ZV [0,2,0,0,0,0|2,0,0]=4 3264 B10R1.96 CCCn1ccc(n1)CO 1P01AP2G [0,2,0,0,0,0|2,0,0]=4 3265 B10R1.96 CCOc1ccc(o1)C=O 1P006LCG [0,2,0,0,0,0|0,0,2]=4 3266 B10R1.96 CCOc1occ(n1)CO 1P01ALRH [0,2,0,0,0,0|2,0,0]=4 3267 B10R1.96 CCc1ncc(o1)CC#N 1P01BKJ6 [0,2,0,0,0,0|2,0,0]=4 3268 B10R1.96 CNCc1ccc(o1)CC 1P027UZF [0,2,0,0,0,0|1,0,0]=3 3269 B10R1.96 COCc1ccc(o1)C=O 1P002FWQ [0,2,0,0,0,0|0,0,1]=3 3270 B10R1.96 COCc1ccc(s1)C=O 1P00ABGA [0,2,0,0,0,0|0,1,1]=4 3271 B10R1.96 COCc1csc(c1)CN 1P01B4GE [0,2,0,0,0,0|2,0,0]=4 3272 B10R1.96 COCc1csc(c1)CO 1P01B7Y0 [0,2,0,0,0,0|2,0,0]=4 3273 B10R1.96 COCc1nc(c[nH]1)CO 1P0288D8 [0,2,0,0,0,0|2,0,0]=4 3274 B10R1.96 COCc1nc(cs1)CCl 1P019SWL [0,2,0,0,0,0|2,0,0]=4 3275 B10R1.96 COCc1nc(cs1)CO 1P028G35 [0,2,0,0,0,0|2,0,0]=4 3276 B10R1.96 COCc1ncc(s1)CO 1P01BD4Z [0,2,0,0,0,0|1,1,0]=4 3277 B10R1.96 COCc1nnc(o1)CCl 1P01DZ1H [0,2,0,0,0,0|2,0,0]=4 3278 B10R1.96 CSCc1ccc(o1)C=O 1P019V1J [0,2,0,0,0,0|0,0,2]=4 3279 B10R1.96 NCCc1[nH]cc(n1)CO 1P028C0Z [0,2,0,0,0,0|2,0,0]=4 3280 B10R1.96 NCCc1ccc(o1)CO 1P027V2M [0,2,0,0,0,0|0,0,0]=2 3281 B10R1.96 NCc1nc([nH]c1)COC 1P028XLM [0,2,0,0,0,0|2,0,0]=4 3282 B10R1.130 COCc1nn(cc1N)C 1P028NKA [0,2,0,0,0,0|2,0,0]=4 3283 B10R1.130 Cc1cc(n(n1)CCO)N 1P00DDBN [0,2,0,0,0,0|2,0,0]=4 3284 B10R1.130 Cc1cc(nn1CCO)C 1P002CYK [0,2,0,0,0,0|2,0,0]=4 3285 B10R1.130 Cc1nc(sc1CCO)C 1P01C86A [0,2,0,0,0,0|1,1,0]=4 3286 B10R1.130 Cc1sc(cc1CCO)C 1P00BHT9 [0,2,0,0,0,0|2,0,0]=4 3287 B10R1.131 CNCc1oc(c(c1)Br)Br 1P01A8RP [0,2,0,0,0,0|2,0,0]=4 3288 B10R1.131 Cn1nc(cc1N)CCO 1P01UOKX [0,2,0,0,0,0|2,0,0]=4 3289 B10R1.131 OCCc1sc(c(n1)C)C 1P01AV8Z [0,2,0,0,0,0|1,1,0]=4 3290 B10R1.131 OCCn1cc(c(n1)C)Cl 1P00JFBB [0,2,0,0,0,0|2,0,0]=4 3291 B10R1.131 OCCn1cc(c(n1)C)N 1P028XQL [0,2,0,0,0,0|2,0,0]=4 3292 B10R1.31 BrCc1ccc(o1)[N+](=O)[O-] 1P002JS1 [0,2,0,0,0,0|1,0,1]=4 3293 B10R1.31 CCc1ccc([nH]1)C(=O)O 1P00J2Z2 [0,2,0,0,0,0|1,0,1]=4 3294 B10R1.31 CCc1ccc(o1)C(=O)C 1P00BGPC [0,2,0,0,0,0|1,0,0]=3 3295 B10R1.31 CCc1ccc(o1)C(=O)O 1P00EEOV [0,2,0,0,0,0|0,0,1]=3 3296 B10R1.31 CCc1ccc(s1)B(O)O 1P001TPS [0,2,0,0,0,0|1,1,0]=4 3297 B10R1.31 CCc1ccc(s1)C(=O)C 1P007SDK [0,2,0,0,0,0|1,1,0]=4 3298 B10R1.31 CCc1ccc(s1)C(=O)O 1P002N24 [0,2,0,0,0,0|0,1,1]=4 3299 B10R1.31 CNc1ncc(o1)C(=O)O 1P02497V [0,2,0,0,0,0|1,0,1]=4 3300 B10R1.31 COc1ccc(o1)C(=O)O 1P00GW12 [0,2,0,0,0,0|0,0,1]=3 3301 B10R1.31 COc1ccc(s1)C(=O)O 1P002Y5Y [0,2,0,0,0,0|0,1,1]=4 3302 B10R1.31 COc1cnc(o1)C(=O)O 1P00DFUK [0,2,0,0,0,0|1,0,1]=4 3303 B10R1.31 CSc1ccc(o1)C(=O)O 1P01AHSR [0,2,0,0,0,0|0,0,1]=3 3304 B10R1.31 CSc1ccc(s1)C(=O)O 1P002KC3 [0,2,0,0,0,0|0,1,1]=4 3305 B10R1.31 ClCc1ncc(o1)C(C)C 1P01AII5 [0,2,0,0,0,0|2,0,0]=4 3306 B10R1.31 N#Cc1ccc(o1)B(O)O 1P01DWMG [0,2,0,0,0,0|1,0,1]=4 3307 B10R1.31 N#Cc1ccc(o1)C(=O)C 1P0080S8 [0,2,0,0,0,0|1,0,1]=4 3308 B10R1.31 N#Cc1ccc(o1)C(=O)O 1P00C4UO [0,2,0,0,0,0|0,0,2]=4 3309 B10R1.31 N#Cc1ccc(s1)C(O)C 1P00D5NA [0,2,0,0,0,0|0,1,1]=4 3310 B10R1.31 NCc1ccc(o1)C(=O)N 1P019U33 [0,2,0,0,0,0|0,0,2]=4 3311 B10R1.31 NCc1ccc(o1)C(=O)O 1P006FY3 [0,2,0,0,0,0|0,0,1]=3 3312 B10R1.31 NCc1ccc(o1)C(=O)O 1P00J3WI [0,2,0,0,0,0|0,0,1]=3 3313 B10R1.31 NCc1ccc(o1)[N+](=O)[O-] 1P01A9QB [0,2,0,0,0,0|1,0,1]=4 3314 B10R1.31 NCc1ccc(s1)C(=O)O 1P00817Q [0,2,0,0,0,0|0,1,1]=4 3315 B10R1.31 NCc1ccc(s1)C(=O)O 1P01EM34 [0,2,0,0,0,0|0,1,1]=4 3316 B10R1.31 NCc1ncc(o1)C(=O)O 1P0292IS [0,2,0,0,0,0|1,0,1]=4 3317 B10R1.31 NCc1ncc(o1)C(C)C 1P01AJKE [0,2,0,0,0,0|2,0,0]=4 3318 B10R1.31 O=Cc1ccc(o1)B(O)O 1P0038KS [0,2,0,0,0,0|1,0,1]=4 3319 B10R1.31 O=Cc1ccc(o1)C(=O)O 1P0034QN [0,2,0,0,0,0|0,0,2]=4 3320 B10R1.31 O=Cc1ccc(o1)N(C)C 1P00C99E [0,2,0,0,0,0|0,0,2]=4 3321 B10R1.31 OCc1ccc(o1)B(O)O 1P000OKR [0,2,0,0,0,0|1,0,0]=3 3322 B10R1.31 OCc1ccc(o1)C(=O)C 1P01HYLM [0,2,0,0,0,0|0,0,0]=2 3323 B10R1.31 OCc1ccc(o1)C(=O)O 1P0034QZ [0,2,0,0,0,0|0,0,1]=3 3324 B10R1.31 OCc1ccc(o1)[N+](=O)[O-] 1P002QDZ [0,2,0,0,0,0|1,0,0]=3 3325 B10R1.31 OCc1ccc(s1)B(O)O 1P00C05M [0,2,0,0,0,0|1,1,0]=4 3326 B10R1.31 OCc1ccc(s1)[N+](=O)[O-] 1P002KFZ [0,2,0,0,0,0|1,1,0]=4 3327 B10R1.31 OCc1ccn(n1)C(C)C 1P019DMM [0,2,0,0,0,0|2,0,0]=4 3328 B10R1.31 OCc1ccn(n1)C(F)F 1P019D9X [0,2,0,0,0,0|2,0,0]=4 3329 B10R1.31 OCc1cnc([nH]1)C(=O)C 1P01LJ2E [0,2,0,0,0,0|2,0,0]=4 3330 B10R1.31 OCc1cnc([nH]1)C(=O)C 1P028EDM [0,2,0,0,0,0|2,0,0]=4 3331 B10R1.31 OCc1cnc(s1)C(C)C 1P00BA82 [0,2,0,0,0,0|1,1,0]=4 3332 B10R1.31 OCc1cnc(s1)C(F)F 1P02812I [0,2,0,0,0,0|1,1,0]=4 3333 B10R1.31 OCc1coc(n1)C(C)C 1P00ADIY [0,2,0,0,0,0|2,0,0]=4 3334 B10R1.31 OCc1csc(n1)C(C)C 1P00120Y [0,2,0,0,0,0|2,0,0]=4 3335 B10R1.31 OCc1scc(n1)C(=O)C 1P027X93 [0,2,0,0,0,0|2,0,0]=4 3336 B10R1.31 OCn1ccc(n1)C(C)C 1P01AM4R [0,2,0,0,0,0|2,0,0]=4 3337 B10R1.35 CCc1nc(c(o1)CN)C 1P01AM44 [0,2,0,0,0,0|2,0,0]=4 3338 B10R1.35 CCc1nc(c(o1)CO)C 1P01BCQ3 [0,2,0,0,0,0|1,0,0]=3 3339 B10R1.35 CCc1nc(c(s1)Br)CO 1P0286U9 [0,2,0,0,0,0|2,0,0]=4 3340 B10R1.35 COc1cc(nn1C)CO 1P01BPFM [0,2,0,0,0,0|2,0,0]=4 3341 B10R1.35 OCc1cn(c(c1)C#N)C 1P00EYII [0,2,0,0,0,0|2,0,0]=4 3342 B10R1.35 OCc1nn(cc1Br)CC 1P00JGMQ [0,2,0,0,0,0|2,0,0]=4 3343 B10R1.35 OCc1nn(cc1Cl)CC 1P00JGMX [0,2,0,0,0,0|2,0,0]=4 3344 B10R1.258 CSc1ncc(n1C)CO 1P01FMN5 [0,2,0,0,0,0|2,0,0]=4 3345 B10R1.258 OCc1ccc(n1C)C#N 1P00BUEI [0,2,0,0,0,0|1,0,1]=4 3346 B10R1.32 CCc1nc(sc1CO)C 1P008VKY [0,2,0,0,0,0|1,1,0]=4 3347 B10R1.32 OCc1nc(cn1CC)C 1P01DZM2 [0,2,0,0,0,0|2,0,0]=4 3348 B10R1.32 OCc1oc(=O)oc1CBr 1P01DWOB [0,2,0,0,0,0|2,0,0]=4 3349 B10R1.34 CCC1=C(O)C(=O)C(O1)C 1P002UHS [0,2,0,0,0,0|1,0,1]=4 3350 B10R1.34 CCC1OC(=C(C1=O)O)C 1P002UHR [0,2,0,0,0,0|1,0,1]=4 3351 B10R1.34 OCc1nc(c(n1C)C)C 1P00BBES [0,2,0,0,0,0|2,0,0]=4 3352 B10R1.34 OCc1nn(c(c1Br)C)C 1P01BY41 [0,2,0,0,0,0|2,0,0]=4 3353 B10R1.34 OCc1nn(c(c1Br)Cl)C 1P027Z59 [0,2,0,0,0,0|2,0,0]=4 3354 B10R1.34 OCc1nn(c(c1C)Br)C 1P01CANR [0,2,0,0,0,0|2,0,0]=4 3355 B10R1.34 OCn1nc(c(c1C)Br)C 1P005SR8 [0,2,0,0,0,0|2,0,0]=4 3356 B10R1.34 OCn1nc(c(c1C)Cl)C 1P01AOHB [0,2,0,0,0,0|2,0,0]=4 3357 B10R1.59 Brc1cc(c(o1)C(=O)O)C 1P00ED7Z [0,2,0,0,0,0|1,0,1]=4 3358 B10R1.59 CC(c1[nH]c(nc1C)C)O 1P0291UH [0,2,0,0,0,0|2,0,0]=4 3359 B10R1.59 Cc1cc(c(o1)C(=O)C)C 1P002M2X [0,2,0,0,0,0|0,0,2]=4 3360 B10R1.59 Cc1cc(c(o1)C(=O)O)C 1P00C0J3 [0,2,0,0,0,0|0,0,1]=3 3361 B10R1.59 Cc1cc(c(s1)B(O)O)Br 1P00805K [0,2,0,0,0,0|1,1,0]=4 3362 B10R1.59 Cc1cc(c(s1)C(=O)O)Br 1P00IBAO [0,2,0,0,0,0|0,1,1]=4 3363 B10R1.59 Cc1cc(c(s1)C(=O)O)C 1P01BXXD [0,2,0,0,0,0|0,1,1]=4 3364 B10R1.59 Cc1cc(c(s1)C(=O)O)Cl 1P002M13 [0,2,0,0,0,0|0,1,1]=4 3365 B10R1.59 Cc1cc(c(s1)C(O)C)Br 1P01EMVH [0,2,0,0,0,0|0,1,0]=3 3366 B10R1.59 Cc1nc(c(o1)C(=O)O)C 1P002QXO [0,2,0,0,0,0|1,0,1]=4 3367 B10R1.59 Cc1nc(c(s1)C(O)C)C 1P019YAA [0,2,0,0,0,0|1,1,0]=4 3368 B10R1.59 Cn1cc(c(n1)[C@@H](O)C)C 1P0289K5 [0,2,0,0,0,0|2,0,0]=4 3369 B10R1.59 Cn1cc(c(n1)[C@H](O)C)C 1P028PGA [0,2,0,0,0,0|2,0,0]=4 3370 B10R1.59 OC(=O)c1[nH]c(cc1C)C 1P00I8YA [0,2,0,0,0,0|1,0,1]=4 3371 B10R1.256 OCc1c(Br)nc(n1C)C 1P0291XA [0,2,0,0,0,0|2,0,0]=4 3372 B10R1.256 OCc1c(C)oc(c1C)C 1P01DZPT [0,2,0,0,0,0|2,0,0]=4 3373 B10R1.58 CC(=O)c1cc(c(o1)C)Br 1P027U1F [0,2,0,0,0,0|0,0,2]=4 3374 B10R1.58 CC(=O)c1oc(c(c1)C)C 1P00FARO [0,2,0,0,0,0|0,0,2]=4 3375 B10R1.58 CC(c1sc(c(n1)C)C)O 1P028V0D [0,2,0,0,0,0|1,1,0]=4 3376 B10R1.58 Cc1[nH]c(cc1C)C(=O)O 1P00I99K [0,2,0,0,0,0|1,0,1]=4 3377 B10R1.58 OB(c1cc(c(s1)C)Br)O 1P003CBF [0,2,0,0,0,0|1,1,0]=4 3378 B10R1.58 OC(=O)c1cc(c(o1)Br)C 1P01BIAR [0,2,0,0,0,0|1,0,1]=4 3379 B10R1.58 OC(=O)c1cc(c(o1)C)Br 1P00VVZH [0,2,0,0,0,0|0,0,1]=3 3380 B10R1.58 OC(=O)c1cc(c(s1)C)Br 1P002YT5 [0,2,0,0,0,0|0,1,1]=4 3381 B10R1.58 OC(=O)c1oc(c(c1)Br)Br 1P0072UA [0,2,0,0,0,0|1,0,1]=4 3382 B10R1.58 OC(=O)c1oc(c(c1)C)C 1P003WOV [0,2,0,0,0,0|0,0,1]=3 3383 B10R1.58 OC(=O)c1on(c(=O)c1)C 1P01BDJK [0,2,0,0,0,0|1,0,1]=4 3384 B10R1.58 OC(=O)c1sc(c(c1)C)C 1P003KZ4 [0,2,0,0,0,0|0,1,1]=4 3385 B10R1.55 CC(c1ccc(s1)Br)(O)C 1P01APM9 [0,2,0,0,0,0|1,1,0]=4 3386 B10R1.55 CC(c1ccc(s1)Cl)(O)C 1P01EX4X [0,2,0,0,0,0|1,1,0]=4 3387 B10R1.55 Cc1cc[n+](o1)C(C)(C)C 1P003TTS [0,2,0,0,0,0|2,0,0]=4 3388 B10R1.55 Cc1ccc(o1)S(=O)(=O)Cl 1P0066HF [0,2,0,0,0,0|1,0,1]=4 3389 B10R1.55 Cc1ccc(o1)S(=O)(=O)F 1P01EJDT [0,2,0,0,0,0|1,0,1]=4 3390 B10R1.55 Cc1ccc(o1)S(=O)(=O)N 1P009PJP [0,2,0,0,0,0|1,0,1]=4 3391 B10R1.55 Cc1csc(n1)C(O)(C)C 1P00HI40 [0,2,0,0,0,0|2,0,0]=4 3392 B10R1.55 Cn1ccc(n1)C(O)(C)C 1P01SEC3 [0,2,0,0,0,0|2,0,0]=4 3393 B10R1.55 FC(c1ccc(o1)Br)(F)F 1P019T4F [0,2,0,0,0,0|2,0,0]=4 3394 B10R1.55 FC(c1ccc(o1)C)(F)F 1P0020TZ [0,2,0,0,0,0|1,0,0]=3 3395 B10R1.55 F[B-](c1ccc(o1)C)(F)F 1P0083CY [0,2,0,0,0,0|2,0,0]=4 3396 B10R1.194 Cn1c(ccc1C)C(=O)O 1P008RE5 [0,2,0,0,0,0|1,0,1]=4 3397 B8R1.4 C=C1CCCC(=O)O1 1P01DUS2 [0,0,1,1,0,0|2,0,0]=4 3398 B8R1.4 O=C1CCC=C(O1)C 1P00C0V1 [0,0,1,1,0,0|2,0,0]=4 3399 B8R1.4 O=C1COCC(=O)O1 1P003E5N [0,0,1,1,0,0|2,0,0]=4 3400 B8R1.2 OCC1=CCCCO1 1P005ZEI [0,0,1,1,0,0|0,0,2]=4 3401 B8R1.2 OCC1=COCCO1 1P01AB75 [0,0,1,1,0,0|1,0,1]=4 3402 B8R1.2 OCC1CC=CCO1 1P001N1T [0,0,1,1,0,0|0,0,2]=4 3403 B8R1.2 OCc1ccccc1 1P0000MS [0,0,1,1,0,0|1,0,1]=4 3404 B8R1.2 OCc1ccccn1 1P003UIQ [0,0,1,1,0,0|1,0,1]=4 3405 B8R1.2 OCc1cccnc1 1P0000NZ [0,0,1,1,0,0|2,0,0]=4 3406 B8R1.2 OCc1cccnn1 1P0037RV [0,0,1,1,0,0|2,0,0]=4 3407 B8R1.3 Cc1ccc(cc1)O 1P003U0X [0,0,1,1,0,0|1,0,1]=4 3408 B8R1.3 Cc1ccc(cn1)O 1P003K0R [0,0,1,1,0,0|1,0,1]=4 3409 B8R1.3 Oc1ccc(cn1)C 1P0068BS [0,0,1,1,0,0|2,0,0]=4 3410 B8R1.5 Oc1ccccc1O 1P000QI9 [0,0,1,1,0,0|0,0,2]=4 3411 B8R1.5 Oc1ccccc1O 1P01HPCV [0,0,1,1,0,0|0,0,2]=4 3412 B8R1.5 Oc1ncccc1O 1P0036P2 [0,0,1,1,0,0|1,0,1]=4 3413 B10R2.178 O=C1C=C[C@@H]2O[C@H]1OC2 1P00BXSW [0,0,0,1,0,1|1,0,1]=4 3414 B6R0.3 CC(=C)C(=NO)N 1P01BVAM [0,0,1,0,1,0|2,0,0]=4 3415 B6R0.3 CC(=C)C(CO)Br 1P01A2R0 [0,0,1,0,1,0|1,0,1]=4 3416 B6R0.3 CC(=C)[C@@H](CO)N 1P027TTE [0,0,1,0,1,0|1,0,1]=4 3417 B6R0.3 CC(C(=C)C)CO 1P01BSQ5 [0,0,1,0,1,0|0,0,2]=4 3418 B6R0.3 CCC(=O)C(=C)C 1P00CDIA [0,0,1,0,1,0|2,0,0]=4 3419 B6R0.3 OCC(=C(C)C)Br 1P01EMPR [0,0,1,0,1,0|1,0,1]=4 3420 B6R0.3 OCC(=C(C)C)C 1P01ANFK [0,0,1,0,1,0|0,0,2]=4 3421 B6R0.3 OCC(=C(C)C)F 1P028XLO [0,0,1,0,1,0|1,0,1]=4 3422 B6R0.3 OCC(=C)C(=O)O 1P01AEEH [0,0,1,0,1,0|2,0,0]=4 3423 B6R1.6 OCC1=CCC1 1P0281EC [1,0,0,0,1,0|0,0,2]=4