0 B7R1.1 BrCc1cscc1 PI-14311 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.1 C#CC1=CC=CS1 PI-44556 [0,0,0,0,0,0|1,1,1]=3 2 B7R1.1 C#Cc1cscc1 PI-39299 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 C1=C(C=N[NH]1)C=O PI-39404 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.1 C1=C(N=CS1)C=O PI-25454 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.1 C1=C(N=CS1)CCl PI-11980 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 C1=C(N=CS1)CCl PI-48844 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.1 C1=C(N=NS1)C=O PI-29425 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 C1=C(NC=N1)C#N PI-40207 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.1 C1=C(NC=N1)C=O PI-34783 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.1 C1=C(NC=N1)CO PI-31940 [0,0,0,0,0,0|2,0,2]=4 11 B7R1.1 C1=C(SC=N1)CN PI-45069 [0,0,0,0,0,0|2,1,1]=4 12 B7R1.1 C1=C(SC=N1)CN PI-45398 [0,0,0,0,0,0|2,1,1]=4 13 B7R1.1 C1=C(SC=N1)CO PI-12202 [0,0,0,0,0,0|1,1,2]=4 14 B7R1.1 C1=CNC=C1C=O PI-34088 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.1 C1=COC(=C1)CS PI-48474 [0,0,0,0,0,0|0,1,1]=2 16 B7R1.1 C1=CSC(=C1)C=O PI-44709 [0,0,0,0,0,0|0,1,0]=1 17 B7R1.1 C1=CSC(=C1)CCl PI-50490 [0,0,0,0,0,0|1,1,1]=3 18 B7R1.1 C1=CSC(=C1)CO PI-11151 [0,0,0,0,0,0|0,1,2]=3 19 B7R1.1 C1=CSC(=N1)C#N PI-40537 [0,0,0,0,0,0|2,1,1]=4 20 B7R1.1 C1=CSC(=N1)CN PI-45385 [0,0,0,0,0,0|2,1,1]=4 21 B7R1.1 C1=CSC(=N1)NN PI-44075 [0,0,0,0,0,0|3,1,0]=4 22 B7R1.1 C1=CSC=C1C#N PI-20214 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.1 C1=CSC=C1CN PI-31789 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.1 CCC1=CC=CS1 PI-10993 [0,0,0,0,0,0|1,1,1]=3 25 B7R1.1 CCC1=CSC=C1 PI-35073 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.1 CCN1C=CC=C1 PI-12065 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.1 CCc1ncc[nH]1 PI-31817 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.1 CCn1cccn1 PI-35920 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.1 COC1=NC=CS1 PI-11131 [0,0,0,0,0,0|3,1,0]=4 30 B7R1.1 COc1cccs1 PI-33573 [0,0,0,0,0,0|2,1,0]=3 31 B7R1.1 COc1cscc1 PI-27269 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.1 CSC1=CSC=C1 PI-29322 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.1 N#Cc1cccs1 PI-10787 [0,0,0,0,0,0|1,1,1]=3 34 B7R1.1 NCc1cccs1 PI-11152 [0,0,0,0,0,0|1,1,1]=3 35 B7R1.1 NNC1=NC=CS1 PI-41794 [0,0,0,0,0,0|3,1,0]=4 36 B7R1.1 O=CC1=CCCC1 PI-39104 [0,0,0,0,0,0|1,0,2]=3 37 B7R1.1 O=CC1=NC=CO1 PI-39572 [0,0,0,0,0,0|1,0,0]=1 38 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [0,0,0,0,0,0|2,0,0]=2 39 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [0,0,0,0,0,0|1,0,0]=1 40 B7R1.1 O=Cc1cnco1 PI-38922 [0,0,0,0,0,0|1,0,0]=1 41 B7R1.1 O=Cc1cncs1 PI-25019 [0,0,0,0,0,0|1,1,0]=2 42 B7R1.1 O=Cc1cscc1 PI-10763 [0,0,0,0,0,0|2,0,0]=2 43 B7R1.1 O=Cc1ncc[nH]1 PI-24015 [0,0,0,0,0,0|2,0,0]=2 44 B7R1.1 O=Cc1nccs1 PI-11133 [0,0,0,0,0,0|1,1,0]=2 45 B7R1.1 OCC1=NC=CN1 PI-36879 [0,0,0,0,0,0|2,0,2]=4 46 B7R1.1 OCc1c[nH]cn1 PI-27482 [0,0,0,0,0,0|2,0,2]=4 47 B7R1.1 OCc1cnco1 PI-38536 [0,0,0,0,0,0|1,0,2]=3 48 B7R1.1 OCc1cscc1 PI-29874 [0,0,0,0,0,0|2,0,2]=4 49 B7R1.1 OCc1cscn1 PI-25015 [0,0,0,0,0,0|2,0,2]=4 50 B7R1.1 OCc1nccs1 PI-38807 [0,0,0,0,0,0|1,1,2]=4 51 B6R1.2 Brc1c[nH]cn1 PI-31938 [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 Brc1ccco1 PI-14449 [1,0,0,0,0,0|1,0,0]=2 53 B6R1.2 Brc1cccs1 PI-11144 [1,0,0,0,0,0|1,1,0]=3 54 B6R1.2 Brc1cscc1 PI-10760 [1,0,0,0,0,0|3,0,0]=4 55 B6R1.2 Brc1cscn1 PI-38310 [1,0,0,0,0,0|3,0,0]=4 56 B6R1.2 Brc1ncc[nH]1 PI-39207 [1,0,0,0,0,0|3,0,0]=4 57 B6R1.2 C1=C(NN=C1)N PI-10514 [1,0,0,0,0,0|3,0,0]=4 58 B6R1.2 C1=C(ON=C1)N PI-34865 [1,0,0,0,0,0|2,0,0]=3 59 B6R1.2 C1=C(SC=N1)Br PI-45402 [1,0,0,0,0,0|2,1,0]=4 60 B6R1.2 C1=CN=C(N1)N PI-11170 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 C1=CN=C(N1)N PI-45241 [1,0,0,0,0,0|3,0,0]=4 62 B6R1.2 C1=CN=C(N1)N PI-45281 [1,0,0,0,0,0|3,0,0]=4 63 B6R1.2 C1=CNC=C1F PI-49258 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 C1=CSC(=N1)Br PI-11814 [1,0,0,0,0,0|2,1,0]=4 65 B6R1.2 C1=CSC=C1F PI-49323 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 C1COC(=O)N1 PI-10783 [1,0,0,0,0,0|1,0,2]=4 67 B6R1.2 C1OC(=O)C=C1 PI-37270 [1,0,0,0,0,0|0,0,1]=2 68 B6R1.2 CC1=CC=CS1 PI-11146 [1,0,0,0,0,0|0,1,1]=3 69 B6R1.2 CC1=CN=CN1 PI-44758 [1,0,0,0,0,0|2,0,1]=4 70 B6R1.2 CC1=COC=C1 PI-41011 [1,0,0,0,0,0|2,0,1]=4 71 B6R1.2 Cc1cc[nH]n1 PI-31344 [1,0,0,0,0,0|2,0,1]=4 72 B6R1.2 Cc1cncs1 PI-33497 [1,0,0,0,0,0|1,1,1]=4 73 B6R1.2 Cc1nccs1 PI-11132 [1,0,0,0,0,0|1,1,1]=4 74 B6R1.2 ClC1=CSC=C1 PI-11160 [1,0,0,0,0,0|3,0,0]=4 75 B6R1.2 Clc1ncc[nH]1 PI-20136 [1,0,0,0,0,0|3,0,0]=4 76 B6R1.2 Clc1nccs1 PI-39297 [1,0,0,0,0,0|2,1,0]=4 77 B6R1.2 Cn1cccn1 PI-37584 [1,0,0,0,0,0|2,0,1]=4 78 B6R1.2 Ic1c[nH]cn1 PI-31936 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 Ic1cc[nH]n1 PI-39060 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 Ic1cccs1 PI-11145 [1,0,0,0,0,0|1,1,0]=3 81 B6R1.2 NC1=CN=CS1 PI-33967 [1,0,0,0,0,0|2,1,0]=4 82 B6R1.2 NC1=NC=CO1 PI-40002 [1,0,0,0,0,0|2,0,0]=3 83 B6R1.2 NC1=NOC=C1 PI-13009 [1,0,0,0,0,0|3,0,0]=4 84 B6R1.2 O=C1CC=CC1 PI-38266 [1,0,0,0,0,0|1,0,1]=3 85 B6R1.2 O=c1occo1 PI-15331 [1,0,0,0,0,0|1,0,0]=2 86 B6R1.2 Sc1cccs1 PI-27908 [1,0,0,0,0,0|0,2,0]=3 87 B6R1.2 Sc1nccs1 PI-11130 [1,0,0,0,0,0|1,2,0]=4 88 B8R1.1 BrC1=CC=C(S1)C#N PI-40827 [0,1,0,0,0,0|1,1,1]=4 89 B8R1.1 Brc1cc(oc1)C=O PI-21495 [0,1,0,0,0,0|0,0,0]=1 90 B8R1.1 Brc1cc(sc1)C=O PI-16278 [0,1,0,0,0,0|0,1,0]=2 91 B8R1.1 Brc1ccc(C=O)o1 PI-31098 [0,1,0,0,0,0|0,0,0]=1 92 B8R1.1 Brc1ccc(C=O)s1 PI-35909 [0,1,0,0,0,0|0,1,0]=2 93 B8R1.1 Brc1cnc(s1)C=O PI-39227 [0,1,0,0,0,0|1,1,0]=3 94 B8R1.1 Brc1ncc(s1)C=O PI-25590 [0,1,0,0,0,0|1,1,0]=3 95 B8R1.1 C1=C(OC(=C1)I)C=O PI-31133 [0,1,0,0,0,0|0,0,0]=1 96 B8R1.1 C1=C(SC(=C1)Br)CO PI-45451 [0,1,0,0,0,0|0,1,2]=4 97 B8R1.1 C1=C(SC(=C1)Cl)C=O PI-30886 [0,1,0,0,0,0|0,1,0]=2 98 B8R1.1 C1=C(SC(=C1)Cl)CCl PI-27377 [0,1,0,0,0,0|1,1,1]=4 99 B8R1.1 C1=C(SC(=C1)Cl)CO PI-45044 [0,1,0,0,0,0|0,1,2]=4 100 B8R1.1 C1=C(SC(=N1)N)C=O PI-14095 [0,1,0,0,0,0|1,1,0]=3 101 B8R1.1 C1=CC(=O)OC1CO PI-27913 [0,1,0,0,0,0|0,0,3]=4 102 B8R1.1 CC1=CC=C(O1)C=O PI-44598 [0,1,0,0,0,0|0,0,0]=1 103 B8R1.1 CC1=CC=C(O1)CN PI-43985 [0,1,0,0,0,0|1,0,1]=3 104 B8R1.1 CC1=CSC(=C1)C=O PI-29744 [0,1,0,0,0,0|0,1,0]=2 105 B8R1.1 CC1=NC(=CS1)C=O PI-39568 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.1 CCC1=CC(=NO1)N PI-40978 [0,1,0,0,0,0|2,0,1]=4 107 B8R1.1 COC1=CC(=NO1)N PI-34618 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.1 C[N]1C=CC(=N1)C=O PI-39712 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.1 Cc1ccc(C=O)s1 PI-10821 [0,1,0,0,0,0|0,1,0]=2 110 B8R1.1 Cn1cc(nc1)C=O PI-39321 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.1 N#CC1=CC(Br)=CS1 PI-37131 [0,1,0,0,0,0|1,1,1]=4 112 B8R1.1 O=CC1=CN=C(C)S1 PI-39711 [0,1,0,0,0,0|1,1,0]=3 113 B8R1.1 O=CC1=CN=C(Cl)S1 PI-41521 [0,1,0,0,0,0|1,1,0]=3 114 B8R1.1 O=CC1=CSC(Br)=N1 PI-25631 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.1 O=Cc1cnn(c1)C PI-33835 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.7 C1=C(C=NO1)C(=O)O PI-14897 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.7 C1=C(N=NS1)C(=O)O PI-28513 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.7 C1=C(NC=N1)[N+](=O)[O-] PI-31145 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.7 C1=C(ON=C1)C(=O)Cl PI-29789 [0,1,0,0,0,0|1,0,0]=2 121 B8R1.7 C1=C(SC=N1)C(=O)O PI-25160 [0,1,0,0,0,0|1,1,0]=3 122 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [0,1,0,0,0,0|0,0,0]=1 126 B8R1.7 C1=COC=C1C(=N)N PI-19708 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.7 C1=COC=C1C(=O)O PI-16502 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.7 C1=COC=C1C(=S)N PI-19750 [0,1,0,0,0,0|2,1,0]=4 130 B8R1.7 C1=CON=C1C(=O)O PI-48871 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.7 C1=CSC(=C1)C(=N)N PI-29689 [0,1,0,0,0,0|1,1,0]=3 132 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [0,1,0,0,0,0|0,1,0]=2 133 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [0,1,0,0,0,0|0,1,0]=2 134 B8R1.7 C1=CSC(=C1)[N+](=O)[O-] PI-10995 [0,1,0,0,0,0|1,1,0]=3 135 B8R1.7 C1=CSC(=N1)C(=N)N PI-45383 [0,1,0,0,0,0|2,1,0]=4 136 B8R1.7 C1=CSC(=N1)C(C)=O PI-11117 [0,1,0,0,0,0|1,1,0]=3 137 B8R1.7 C1C=CCC1C(=O)O PI-33725 [0,1,0,0,0,0|1,0,2]=4 138 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [0,1,0,0,0,0|1,0,2]=4 139 B8R1.7 C1COC=C1C(=O)O PI-48370 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [0,1,0,0,0,0|1,0,0]=2 141 B8R1.7 CC(=O)C1=CC=NN1 PI-44747 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.7 CC(=O)C1=CN=CN1 PI-45218 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.7 CC(=O)C1=CN=CN1 PI-45286 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.7 CC(=O)c1cscc1 PI-16499 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.7 CC(=O)n1cncc1 PI-31807 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.7 CC(C1=CC=CS1)O PI-12508 [0,1,0,0,0,0|0,1,2]=4 147 B8R1.7 CC(C1=CC=C[CH-]1)O PI-44457 [0,1,0,0,0,0|1,0,2]=4 148 B8R1.7 CC(C1=NC=CN1)=O PI-39737 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.7 CC(N)C1=CC=CS1 PI-40007 [0,1,0,0,0,0|1,1,1]=4 150 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [0,1,0,0,0,0|0,1,2]=4 151 B8R1.7 ClC(=O)c1cscc1 PI-10762 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.7 NC(=N)n1cccn1 PI-16548 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.7 NC(=O)c1ncn[nH]1 PI-10146 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.7 NC(=S)c1ccco1 PI-19230 [0,1,0,0,0,0|0,1,0]=2 155 B8R1.7 NC(=S)c1cccs1 PI-39110 [0,1,0,0,0,0|0,2,0]=3 156 B8R1.7 NC(=S)c1cscc1 PI-29381 [0,1,0,0,0,0|2,1,0]=4 157 B8R1.7 OB(c1ccco1)O PI-33002 [0,1,0,0,0,0|1,0,1]=3 158 B8R1.7 OB(c1cccs1)O PI-16529 [0,1,0,0,0,0|1,1,1]=4 159 B8R1.7 OC(=O)C1=CNN=N1 PI-40359 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.7 OC(=O)[C@H]1NCC=C1 PI-38250 [0,1,0,0,0,0|1,0,2]=4 161 B8R1.7 OC(=O)c1c[nH]nc1 PI-32193 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.7 OC(=O)c1cc[nH]n1 PI-34779 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [0,1,0,0,0,0|1,0,0]=2 164 B8R1.7 OC(=O)c1cccs1 PI-38239 [0,1,0,0,0,0|0,1,0]=2 165 B8R1.7 OC(=O)c1ccno1 PI-29335 [0,1,0,0,0,0|1,0,0]=2 166 B8R1.7 OC(=O)c1cocn1 PI-43182 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.7 OC(=O)c1cscc1 PI-10764 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.7 OC(=O)c1cscn1 PI-28011 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.7 OC(=O)c1n[nH]cn1 PI-10407 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.7 OC(=O)n1scc[nH]1 PI-29827 [0,1,0,0,0,0|2,1,0]=4 171 B8R1.7 [O-][N+](=O)c1cc[nH]n1 PI-36856 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.7 [O-][N+](=O)c1ncc[nH]1 PI-10202 [0,1,0,0,0,0|3,0,0]=4 173 B8R1.7 [O-][N+](=O)n1cccn1 PI-16557 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.8 C1=CSC=C1N=C=O PI-27898 [0,1,0,0,0,0|2,0,1]=4 175 B8R1.8 CNCC1=CC=NO1 PI-48159 [0,1,0,0,0,0|2,0,1]=4 176 B8R1.8 CSCC1=CC=CO1 PI-48491 [0,1,0,0,0,0|0,1,1]=3 177 B8R1.8 N#CCc1cccs1 PI-10786 [0,1,0,0,0,0|1,1,1]=4 178 B8R1.8 NCCc1cccs1 PI-11168 [0,1,0,0,0,0|1,1,1]=4 179 B8R1.8 O=C=Nc1cccs1 PI-27322 [0,1,0,0,0,0|0,1,1]=3 180 B8R1.8 OCCc1cccs1 PI-11150 [0,1,0,0,0,0|0,1,2]=4 181 B8R1.11 Brc1cscc1C=O PI-36834 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.11 C1=CSC(=C1Br)C=O PI-22616 [0,1,0,0,0,0|0,1,0]=2 183 B8R1.11 C1=CSC(=C1Cl)C=O PI-42060 [0,1,0,0,0,0|0,1,0]=2 184 B8R1.11 C1=NC(=C(S1)C=O)Cl PI-34872 [0,1,0,0,0,0|1,1,0]=3 185 B8R1.11 CC1=C(N=CN1)C=O PI-45102 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.11 CC1=C(SC=C1)C#N PI-30712 [0,1,0,0,0,0|1,1,1]=4 187 B8R1.11 CC1=C(SC=C1)C=O PI-10802 [0,1,0,0,0,0|0,1,0]=2 188 B8R1.11 CC1=C(SC=N1)C=C PI-11137 [0,1,0,0,0,0|2,1,0]=4 189 B8R1.11 CCC1=CC=CN1N PI-40301 [0,1,0,0,0,0|2,0,1]=4 190 B8R1.11 CN1C=CC=C1C=O PI-33707 [0,1,0,0,0,0|1,0,0]=2 191 B8R1.11 CN1C=NC=C1C=O PI-25534 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.11 Cc1ncsc1C=O PI-11136 [0,1,0,0,0,0|1,1,0]=3 193 B8R1.11 N#CC1=C(Br)C=CS1 PI-37130 [0,1,0,0,0,0|1,1,1]=4 194 B8R1.11 N#Cc1cccn1C PI-34307 [0,1,0,0,0,0|2,0,1]=4 195 B8R1.11 O=Cc1nccn1C PI-16496 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.6 CC=CC=CCO PI-24146 [0,0,1,0,0,0|1,0,1]=3 197 B6R0.6 CCC\C=C\C=O PI-40157 [0,0,1,0,0,0|1,0,2]=4 198 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [0,0,0,0,0,1|2,0,1]=4 199 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [0,0,0,0,0,1|2,0,1]=4 200 B8R1.2 C#CC1=NC=CC=C1 PI-37137 [0,0,0,0,0,1|2,0,1]=4 201 B8R1.2 C(=O)C1CCC=CC1 PI-38079 [0,0,0,0,0,1|1,0,2]=4 202 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [0,0,0,0,0,1|2,0,1]=4 203 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [0,0,0,0,0,1|2,0,1]=4 204 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [0,0,0,0,0,1|3,0,0]=4 205 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [0,0,0,0,0,1|3,0,0]=4 206 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [0,0,0,0,0,1|3,0,0]=4 207 B8R1.2 C1=CN=C(C=N1)NN PI-48275 [0,0,0,0,0,1|3,0,0]=4 208 B8R1.2 C1=CN=C(N=C1)C#N PI-15315 [0,0,0,0,0,1|2,0,1]=4 209 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [0,0,0,0,0,1|1,0,0]=2 210 B8R1.2 C1=CN=C(N=C1)CO PI-35153 [0,0,0,0,0,1|1,0,2]=4 211 B8R1.2 C1=CN=CC=C1CCl PI-31734 [0,0,0,0,0,1|2,0,1]=4 212 B8R1.2 C1=CN=CC=C1CO PI-16744 [0,0,0,0,0,1|1,0,2]=4 213 B8R1.2 C1=CN=CN=C1C=O PI-34868 [0,0,0,0,0,1|1,0,0]=2 214 B8R1.2 C1=CN=CN=C1CO PI-35498 [0,0,0,0,0,1|1,0,2]=4 215 B8R1.2 C1CCOC=C1C=O PI-21265 [0,0,0,0,0,1|0,0,3]=4 216 B8R1.2 CCC1=CC=CC=N1 PI-49466 [0,0,0,0,0,1|2,0,1]=4 217 B8R1.2 CCC1=NC=CN=C1 PI-11040 [0,0,0,0,0,1|2,0,1]=4 218 B8R1.2 CNC1=CC=CC=N1 PI-11864 [0,0,0,0,0,1|3,0,0]=4 219 B8R1.2 CNC1=CC=NC=C1 PI-23603 [0,0,0,0,0,1|3,0,0]=4 220 B8R1.2 CNC1=CN=CC=C1 PI-11328 [0,0,0,0,0,1|3,0,0]=4 221 B8R1.2 COC1=CC=CC=N1 PI-33887 [0,0,0,0,0,1|3,0,0]=4 222 B8R1.2 COC1=CC=NC=C1 PI-10034 [0,0,0,0,0,1|3,0,0]=4 223 B8R1.2 COC1=CN=CC=C1 PI-33889 [0,0,0,0,0,1|3,0,0]=4 224 B8R1.2 COC1=NC=CN=C1 PI-11859 [0,0,0,0,0,1|3,0,0]=4 225 B8R1.2 CSC1=CC=CC=N1 PI-16757 [0,0,0,0,0,1|3,0,0]=4 226 B8R1.2 CSC1=NC=CN=C1 PI-11048 [0,0,0,0,0,1|3,0,0]=4 227 B8R1.2 ClCC1=CN=CC=N1 PI-39634 [0,0,0,0,0,1|2,0,1]=4 228 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [0,0,0,0,0,1|2,0,1]=4 229 B8R1.2 ClCc1ccccn1 PI-16716 [0,0,0,0,0,1|2,0,1]=4 230 B8R1.2 ClCc1ncccn1 PI-35014 [0,0,0,0,0,1|2,0,1]=4 231 B8R1.2 ClCc1ncccn1 PI-40553 [0,0,0,0,0,1|2,0,1]=4 232 B8R1.2 NCC1=CC=CC=C1 PI-37209 [0,0,0,0,0,1|2,0,1]=4 233 B8R1.2 NCC1=CC=NC=C1 PI-41875 [0,0,0,0,0,1|2,0,1]=4 234 B8R1.2 NCc1ccccn1 PI-33905 [0,0,0,0,0,1|2,0,1]=4 235 B8R1.2 NCc1cccnc1 PI-15236 [0,0,0,0,0,1|2,0,1]=4 236 B8R1.2 NCc1ccncc1 PI-31790 [0,0,0,0,0,1|2,0,1]=4 237 B8R1.2 NCc1ncccn1 PI-34855 [0,0,0,0,0,1|2,0,1]=4 238 B8R1.2 NCc1ncccn1 PI-34856 [0,0,0,0,0,1|2,0,1]=4 239 B8R1.2 NNC1=CC=CC=C1 PI-41551 [0,0,0,0,0,1|3,0,0]=4 240 B8R1.2 O=Cc1ccccn1 PI-33895 [0,0,0,0,0,1|1,0,0]=2 241 B8R1.2 O=Cc1cccnc1 PI-33908 [0,0,0,0,0,1|1,0,0]=2 242 B8R1.2 O=Cc1ccncc1 PI-13140 [0,0,0,0,0,1|1,0,0]=2 243 B8R1.2 OCC1=CC=CN=C1 PI-11019 [0,0,0,0,0,1|1,0,2]=4 244 B8R1.2 OCC1=NC=CC=C1 PI-16261 [0,0,0,0,0,1|1,0,2]=4 245 B8R1.2 OCc1ccncc1 PI-16686 [0,0,0,0,0,1|1,0,2]=4 246 B8R1.2 ONc1ccccc1 PI-38448 [0,0,0,0,0,1|2,0,1]=4 247 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [0,0,0,0,0,1|2,0,1]=4 248 B8R1.2 c1nccnc1C#N PI-11837 [0,0,0,0,0,1|2,0,1]=4 249 B5R0.1 CC=CC(=O)C PI-45740 [1,0,1,0,0,0|1,0,1]=4 250 B5R0.1 C\C=C\C(=O)N PI-50568 [1,0,1,0,0,0|1,0,1]=4 251 B5R0.1 C\C=C\C(=O)O PI-48966 [1,0,1,0,0,0|0,0,1]=3 252 B5R0.3 C=CC(C=C)O PI-44995 [1,0,1,0,0,0|1,0,1]=4 253 B5R0.3 CCC(=C)C=O PI-44654 [1,0,1,0,0,0|0,0,2]=4 254 B5R1.1 C1=CSC=C1 PI-45119 [2,0,0,0,0,0|0,1,0]=3 255 B5R1.1 C1=CSC=N1 PI-45012 [2,0,0,0,0,0|1,1,0]=4 256 B5R1.1 C1=CSN=C1 PI-41498 [2,0,0,0,0,0|1,1,0]=4 257 B5R1.1 C1COC=C1 PI-45414 [2,0,0,0,0,0|0,0,2]=4 258 B5R1.1 O1C=NC=C1 PI-37188 [2,0,0,0,0,0|1,0,0]=3 259 B5R1.1 O1N=CC=C1 PI-37186 [2,0,0,0,0,0|1,0,0]=3 260 B5R1.1 c1ccn[nH]1 PI-12159 [2,0,0,0,0,0|2,0,0]=4 261 B7R0.7 CC=CC(=O)OC=C PI-13581 [0,1,1,0,0,0|2,0,0]=4 262 B7R0.4 CC=CC=CC(=O)[O-] PI-15818 [0,1,1,0,0,0|1,0,0]=3 263 B7R1.2 Brc1ccc(Br)o1 PI-17239 [1,1,0,0,0,0|1,0,0]=3 264 B7R1.2 C1=C(Br)SC(=C1)Br PI-11156 [1,1,0,0,0,0|1,1,0]=4 265 B7R1.2 C1=C(NNC1=O)N PI-30770 [1,1,0,0,0,0|2,0,0]=4 266 B7R1.2 C1=C(SC(=C1)Br)Cl PI-20666 [1,1,0,0,0,0|1,1,0]=4 267 B7R1.2 C1=C(SC(=C1)Br)N PI-45449 [1,1,0,0,0,0|1,1,0]=4 268 B7R1.2 C1=C(SC(=C1)Cl)Cl PI-11157 [1,1,0,0,0,0|1,1,0]=4 269 B7R1.2 C1=C(SC(=C1)I)I PI-21280 [1,1,0,0,0,0|1,1,0]=4 270 B7R1.2 C1=C(SC=C1Br)Br PI-26554 [1,1,0,0,0,0|1,1,0]=4 271 B7R1.2 C1C(=O)COC1=O PI-17979 [1,1,0,0,0,0|0,0,2]=4 272 B7R1.2 C1C(C=CC1=O)O PI-48068 [1,1,0,0,0,0|1,0,1]=4 273 B7R1.2 CC1=CC(=CS1)Br PI-22178 [1,1,0,0,0,0|0,1,1]=4 274 B7R1.2 CC1=CC(=NO1)C PI-11253 [1,1,0,0,0,0|1,0,1]=4 275 B7R1.2 CC1=CC(=O)N=N1 PI-30060 [1,1,0,0,0,0|2,0,0]=4 276 B7R1.2 CC1=CC=C(O1)C PI-44542 [1,1,0,0,0,0|0,0,1]=3 277 B7R1.2 CC1=CC=C(S1)Br PI-11164 [1,1,0,0,0,0|0,1,1]=4 278 B7R1.2 CC1=CC=C(S1)C PI-11158 [1,1,0,0,0,0|0,1,1]=4 279 B7R1.2 CC1=CNC(=O)N1 PI-31820 [1,1,0,0,0,0|2,0,0]=4 280 B7R1.2 Cc1[nH][nH]c(=O)c1 PI-10806 [1,1,0,0,0,0|2,0,0]=4 281 B7R1.2 Cc1[nH]cc(c1)C PI-10987 [1,1,0,0,0,0|1,0,1]=4 282 B7R1.2 Cc1ccc(s1)Cl PI-29205 [1,1,0,0,0,0|0,1,1]=4 283 B7R1.2 Cc1noc(c1)N PI-30153 [1,1,0,0,0,0|2,0,0]=4 284 B7R1.2 Cc1scc(c1)C PI-29816 [1,1,0,0,0,0|0,1,1]=4 285 B7R1.2 Nc1noc(c1)C PI-33190 [1,1,0,0,0,0|1,0,1]=4 286 B7R1.2 O=C1C=CC(=O)N1 PI-29681 [1,1,0,0,0,0|1,0,0]=3 287 B7R1.2 O=C1NCC(=O)O1 PI-37627 [1,1,0,0,0,0|1,0,1]=4 288 B7R1.2 O=C1OC=C(Br)O1 PI-38607 [1,1,0,0,0,0|1,0,0]=3 289 B7R1.2 O=C1OC=C(Cl)O1 PI-38606 [1,1,0,0,0,0|1,0,0]=3 290 B7R1.4 Brc1sccc1Br PI-11154 [1,1,0,0,0,0|1,1,0]=4 291 B7R1.4 C1=COC(=C1Br)Br PI-17204 [1,1,0,0,0,0|1,0,0]=3 292 B7R1.4 C1=CSC(=C1Br)Cl PI-11159 [1,1,0,0,0,0|1,1,0]=4 293 B7R1.4 C=C1CCOC1=O PI-13231 [1,1,0,0,0,0|0,0,2]=4 294 B7R1.4 CC1=C(OC=N1)C PI-35004 [1,1,0,0,0,0|1,0,1]=4 295 B7R1.4 CC1=C(SC=C1)Cl PI-10992 [1,1,0,0,0,0|1,1,0]=4 296 B7R1.4 CC1=CCOC1=O PI-46986 [1,1,0,0,0,0|0,0,1]=3 297 B7R1.4 Cc1ccsc1Br PI-10990 [1,1,0,0,0,0|1,1,0]=4 298 B7R1.4 Clc1sccc1Cl PI-26200 [1,1,0,0,0,0|1,1,0]=4 299 B7R1.4 Cn1sccc1=O PI-11861 [1,1,0,0,0,0|2,0,0]=4 300 B7R1.4 SC1=C(C)OC=C1 PI-14227 [1,1,0,0,0,0|0,0,1]=3 301 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [0,1,0,0,0,1|1,0,0]=3 302 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [0,1,0,0,0,1|1,0,0]=3 303 B9R1.1 C1=CC(=NC=C1C=O)Br PI-35910 [0,1,0,0,0,1|1,0,0]=3 304 B9R1.1 C1=CC(=NC=C1C=O)Cl PI-41221 [0,1,0,0,0,1|1,0,0]=3 305 B9R1.1 C1=CC(=NC=C1O)C=O PI-40986 [0,1,0,0,0,1|1,0,0]=3 306 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [0,1,0,0,0,1|2,0,0]=4 307 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [0,1,0,0,0,1|2,0,0]=4 308 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [0,1,0,0,0,1|2,0,0]=4 309 B9R1.1 C=Cc1ccc(nc1)C PI-38680 [0,1,0,0,0,1|2,0,0]=4 310 B9R1.1 CC1=NC=C(C=C1)C=O PI-48154 [0,1,0,0,0,1|1,0,0]=3 311 B9R1.1 O=CC1=CC=C(N)N=C1 PI-37351 [0,1,0,0,0,1|1,0,0]=3 312 B9R1.1 O=CC1=NC=C(F)C=C1 PI-37201 [0,1,0,0,0,1|1,0,0]=3 313 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [0,1,0,0,0,1|1,0,0]=3 314 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [0,1,0,0,0,1|1,0,0]=3 315 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [0,1,0,0,0,1|1,0,0]=3 316 B9R1.1 O=Cc1cnc(N)nc1 PI-34787 [0,1,0,0,0,1|2,0,0]=4 317 B9R1.2 Brc1cc(C=O)ncc1 PI-38308 [0,1,0,0,0,1|1,0,0]=3 318 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [0,1,0,0,0,1|1,0,0]=3 319 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [0,1,0,0,0,1|1,0,0]=3 320 B9R1.2 C1=CC(=NC(=C1)Br)C=O PI-21494 [0,1,0,0,0,1|1,0,0]=3 321 B9R1.2 C=CC1=CC(=CC=C1)Br PI-22598 [0,1,0,0,0,1|2,0,0]=4 322 B9R1.2 C=Cc1cccc(c1)C PI-40767 [0,1,0,0,0,1|2,0,0]=4 323 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [0,1,0,0,0,1|1,0,0]=3 324 B9R1.2 CC1=CC(=CN=C1)C=O PI-43924 [0,1,0,0,0,1|1,0,0]=3 325 B9R1.2 CC1=NC(=CC=C1)C=C PI-27081 [0,1,0,0,0,1|2,0,0]=4 326 B9R1.2 CC1=NC(=CC=C1)C=O PI-16691 [0,1,0,0,0,1|1,0,0]=3 327 B9R1.2 Clc1cc(C=O)ncc1 PI-39303 [0,1,0,0,0,1|1,0,0]=3 328 B9R1.2 FC1=NC(=CC=C1)C=O PI-39667 [0,1,0,0,0,1|1,0,0]=3 329 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [0,1,0,0,0,1|1,0,0]=3 330 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [0,1,0,0,0,1|1,0,0]=3 331 B9R1.2 O=Cc1cccc(c1)F PI-11925 [0,1,0,0,0,1|1,0,0]=3 332 B9R1.2 O=Cc1cccc(c1)N PI-11906 [0,1,0,0,0,1|1,0,0]=3 333 B9R1.2 O=Cc1cccc(c1)O PI-34273 [0,1,0,0,0,1|1,0,0]=3 334 B9R1.2 O=Cc1ccnc(C)n1 PI-33598 [0,1,0,0,0,1|1,0,0]=3 335 B9R1.2 O=Cc1ccnc(c1)Br PI-27099 [0,1,0,0,0,1|1,0,0]=3 336 B9R1.2 O=Cc1ccnc(c1)Cl PI-31791 [0,1,0,0,0,1|1,0,0]=3 337 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [0,1,0,0,0,1|2,0,0]=4 338 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [0,1,0,0,0,1|1,0,0]=3 339 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [0,1,0,0,0,1|1,0,0]=3 340 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [0,1,0,0,0,1|1,1,0]=4 341 B9R1.6 C1=CC(=NN=C1)C(=O)Cl PI-48417 [0,1,0,0,0,1|1,0,0]=3 342 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [0,1,0,0,0,1|1,0,0]=3 343 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [0,1,0,0,0,1|1,0,0]=3 344 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,1,0,0,0,1|1,0,0]=3 345 B9R1.6 C1=CN=C(C=N1)C(=N)N PI-33861 [0,1,0,0,0,1|2,0,0]=4 346 B9R1.6 C1=CN=C(N=C1)C(=N)N PI-45842 [0,1,0,0,0,1|2,0,0]=4 347 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [0,1,0,0,0,1|2,0,0]=4 348 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [0,1,0,0,0,1|2,0,0]=4 349 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [0,1,0,0,0,1|1,0,0]=3 350 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [0,1,0,0,0,1|1,0,0]=3 351 B9R1.6 C1=CN=CC=C1C(=S)N PI-41117 [0,1,0,0,0,1|1,1,0]=4 352 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [0,1,0,0,0,1|2,0,0]=4 353 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [0,1,0,0,0,1|1,0,0]=3 354 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [0,1,0,0,0,1|1,0,0]=3 355 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [0,1,0,0,0,1|2,0,0]=4 356 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [0,1,0,0,0,1|1,0,0]=3 357 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [0,1,0,0,0,1|1,0,0]=3 358 B9R1.6 CC(=O)c1cccnc1 PI-32250 [0,1,0,0,0,1|1,0,0]=3 359 B9R1.6 CC(=O)c1ccncc1 PI-38297 [0,1,0,0,0,1|1,0,0]=3 360 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [0,1,0,0,0,1|1,0,0]=3 361 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [0,1,0,0,0,1|2,0,0]=4 362 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [0,1,0,0,0,1|2,0,0]=4 363 B9R1.6 NC(=N)c1ccccc1 PI-30200 [0,1,0,0,0,1|2,0,0]=4 364 B9R1.6 NC(=N)c1ccccn1 PI-30669 [0,1,0,0,0,1|2,0,0]=4 365 B9R1.6 NC(=O)c1cccnc1 PI-12870 [0,1,0,0,0,1|1,0,0]=3 366 B9R1.6 NC(=S)c1ccccc1 PI-29356 [0,1,0,0,0,1|1,1,0]=4 367 B9R1.6 O=[N+](C1=CC=NC=C1)[O-] PI-46824 [0,1,0,0,0,1|2,0,0]=4 368 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,1,0,0,0,1|1,0,0]=3 369 B9R1.6 OC(=O)c1ccncn1 PI-32629 [0,1,0,0,0,1|1,0,0]=3 370 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [0,1,0,0,0,1|1,0,0]=3 371 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [0,1,0,0,0,1|2,0,0]=4 372 B9R1.8 C1=CN=C(N=C1)C=NO PI-32947 [0,1,0,0,0,1|1,0,1]=4 373 B9R1.8 C1=CN=CC=C1C=NO PI-41016 [0,1,0,0,0,1|1,0,1]=4 374 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [0,1,0,0,0,1|2,0,0]=4 375 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [0,1,0,0,0,1|2,0,0]=4 376 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [0,1,0,0,0,1|2,0,0]=4 377 B9R1.8 O=C=Nc1cccnc1 PI-38566 [0,1,0,0,0,1|1,0,1]=4 378 B9R1.8 O\N=C\c1ccccn1 PI-38007 [0,1,0,0,0,1|1,0,1]=4 379 B9R1.15 BrC1=NC=CC=C1C=O PI-39999 [0,1,0,0,0,1|1,0,0]=3 380 B9R1.15 C1=CC(=C(N=C1)C=O)O PI-20863 [0,1,0,0,0,1|1,0,0]=3 381 B9R1.15 C1=CC(=C(N=C1)Cl)C=O PI-34991 [0,1,0,0,0,1|1,0,0]=3 382 B9R1.15 C1=CC(=C(N=C1)F)C=O PI-39564 [0,1,0,0,0,1|1,0,0]=3 383 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [0,1,0,0,0,1|1,0,0]=3 384 B9R1.15 C1=CN=CC(=C1C=O)O PI-34863 [0,1,0,0,0,1|1,0,0]=3 385 B9R1.15 C1=CN=CC(=C1N)C=O PI-14094 [0,1,0,0,0,1|1,0,0]=3 386 B9R1.15 C=CC1=CC=CC=C1Br PI-14519 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.15 C=Cc1ccccc1F PI-33746 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [0,1,0,0,0,1|1,0,0]=3 389 B9R1.15 O=CC1=C(Cl)C=CN=C1 PI-37019 [0,1,0,0,0,1|1,0,0]=3 390 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [0,1,0,0,0,1|1,0,0]=3 391 B9R1.15 O=Cc1ccccc1Cl PI-34387 [0,1,0,0,0,1|1,0,0]=3 392 B9R1.15 O=Cc1ccccc1F PI-27600 [0,1,0,0,0,1|1,0,0]=3 393 B9R1.15 O=Cc1cccnc1N PI-15940 [0,1,0,0,0,1|1,0,0]=3 394 B9R1.15 O=Cc1cnccc1Br PI-36813 [0,1,0,0,0,1|1,0,0]=3 395 B9R1.7 C1=C(SC(=C1)Br)C=NO PI-29348 [0,2,0,0,0,0|0,1,1]=4 396 B9R1.7 CC1=CSC(=C1)N=C=O PI-26943 [0,2,0,0,0,0|0,1,1]=4 397 B9R1.21 C1=C(OC(=C1)C=O)C=O PI-17242 [0,2,0,0,0,0|0,0,0]=2 398 B9R1.21 C1=C(OC(=C1)CO)CO PI-42477 [0,2,0,0,0,0|0,0,2]=4 399 B9R1.21 CCC1=CC=C(O1)C=O PI-17705 [0,2,0,0,0,0|0,0,0]=2 400 B9R1.21 CSc1ccc(s1)C=O PI-29388 [0,2,0,0,0,0|0,1,0]=3 401 B9R1.21 O=Cc1ccc(s1)C=O PI-38735 [0,2,0,0,0,0|0,1,0]=3 402 B9R1.22 C(=O)C1=C(N=C(S1)Cl)Cl PI-40538 [0,2,0,0,0,0|1,1,0]=4 403 B9R1.22 CC1=C(SC(=N1)C)C=O PI-45390 [0,2,0,0,0,0|1,1,0]=4 404 B9R1.22 CC1=CC(=C(S1)C)C=O PI-29416 [0,2,0,0,0,0|2,0,0]=4 405 B9R1.22 CC1=NN(C(=C1)C=O)C PI-21982 [0,2,0,0,0,0|2,0,0]=4 406 B9R1.22 O=Cc1[nH]c(cc1C)C PI-21987 [0,2,0,0,0,0|1,0,0]=3 407 B9R1.23 C1=C(OC(=C1Br)Br)C=O PI-10091 [0,2,0,0,0,0|0,0,0]=2 408 B9R1.23 CC1=C(SC(=N1)C=O)C PI-45028 [0,2,0,0,0,0|1,1,0]=4 409 B9R1.23 O=Cc1sc(Br)c(Br)c1 PI-29531 [0,2,0,0,0,0|0,1,0]=3 410 B9R1.35 B(C1=CC=C(O1)C)(O)O PI-18768 [0,2,0,0,0,0|1,0,1]=4 411 B9R1.35 Brc1scc(c1)C(=O)O PI-35044 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.35 C1=C(N=C(S1)Br)C(=O)O PI-25633 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.35 C1=C(N=C(S1)C(=O)O)Br PI-45389 [0,2,0,0,0,0|1,1,0]=4 414 B9R1.35 C1=C(N=C(S1)N)C(=O)O PI-16258 [0,2,0,0,0,0|2,0,0]=4 415 B9R1.35 C1=C(OC(=C1)Br)C(=O)Cl PI-21496 [0,2,0,0,0,0|0,0,0]=2 416 B9R1.35 C1=C(OC(=C1)Br)C(=O)O PI-21497 [0,2,0,0,0,0|0,0,0]=2 417 B9R1.35 C1=C(OC(=C1)Br)[N+](=O)[O-] PI-17302 [0,2,0,0,0,0|1,0,0]=3 418 B9R1.35 C1=C(OC(=C1)N)C(=O)O PI-19351 [0,2,0,0,0,0|0,0,0]=2 419 B9R1.35 C1=C(SC(=C1)Br)C(=O)Cl PI-45457 [0,2,0,0,0,0|0,1,0]=3 420 B9R1.35 C1=C(SC(=C1)Br)C(=O)N PI-29907 [0,2,0,0,0,0|0,1,0]=3 421 B9R1.35 C1=C(SC(=C1)Br)C(=O)O PI-16448 [0,2,0,0,0,0|0,1,0]=3 422 B9R1.35 C1=C(SC(=C1)Br)[N+](=O)[O-] PI-16497 [0,2,0,0,0,0|1,1,0]=4 423 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O PI-30361 [0,2,0,0,0,0|0,1,0]=3 424 B9R1.35 C1=C(SC(=N1)Br)C(=O)O PI-25655 [0,2,0,0,0,0|1,1,0]=4 425 B9R1.35 C1=C(SC(=N1)C)C(=O)O PI-36606 [0,2,0,0,0,0|1,1,0]=4 426 B9R1.35 C1=C(SC=C1C(=O)N)Br PI-44107 [0,2,0,0,0,0|2,0,0]=4 427 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [0,2,0,0,0,0|0,1,0]=3 428 B9R1.35 CC(=O)C1=CC=C(S1)Br PI-16279 [0,2,0,0,0,0|0,1,0]=3 429 B9R1.35 CC(=O)C1=CC=C(S1)I PI-26551 [0,2,0,0,0,0|0,1,0]=3 430 B9R1.35 CC(=O)C1=NC=C(S1)Br PI-43922 [0,2,0,0,0,0|1,1,0]=4 431 B9R1.35 CC(=O)N1C=C(C=N1)I PI-31343 [0,2,0,0,0,0|2,0,0]=4 432 B9R1.35 CC(=O)c1c[nH]c(C)n1 PI-36304 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [0,2,0,0,0,0|0,1,0]=3 434 B9R1.35 CC(C1=CN=C(N)S1)=O PI-46739 [0,2,0,0,0,0|1,1,0]=4 435 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [0,2,0,0,0,0|0,0,0]=2 436 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [0,2,0,0,0,0|0,0,0]=2 437 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [0,2,0,0,0,0|0,1,0]=3 438 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [0,2,0,0,0,0|0,1,0]=3 439 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [0,2,0,0,0,0|0,1,0]=3 440 B9R1.35 Cc1cc(no1)C(=O)O PI-36872 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.35 Cc1nc(co1)C(=O)O PI-38605 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.35 Clc1ccc(s1)C(=O)Cl PI-26633 [0,2,0,0,0,0|0,1,0]=3 443 B9R1.35 Cn1cc(nc1)C(=O)O PI-38169 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.35 Cn1ccc(n1)C(=O)O PI-38564 [0,2,0,0,0,0|2,0,0]=4 445 B9R1.35 O=C(C1=CSC(Cl)=C1)O PI-46668 [0,2,0,0,0,0|2,0,0]=4 446 B9R1.35 OC(=O)C1=CC(Br)=CN1 PI-39658 [0,2,0,0,0,0|1,0,0]=3 447 B9R1.35 OC(=O)c1c[nH]c(C)c1 PI-36150 [0,2,0,0,0,0|2,0,0]=4 448 B9R1.35 OC(=O)c1cc(Br)cs1 PI-29188 [0,2,0,0,0,0|0,1,0]=3 449 B9R1.35 OC(=O)c1cc([nH]n1)Cl PI-39269 [0,2,0,0,0,0|2,0,0]=4 450 B9R1.35 OC(=O)c1cc(no1)Br PI-39414 [0,2,0,0,0,0|1,0,0]=3 451 B9R1.35 OC(=O)c1ncc(s1)Br PI-39239 [0,2,0,0,0,0|1,1,0]=4 452 B9R1.11 C1=COC(=C1)C(=NO)N PI-19376 [0,2,0,0,0,0|0,0,1]=3 453 B9R1.11 C1=CSC(=C1)C(=NO)N PI-29669 [0,2,0,0,0,0|0,1,1]=4 454 B9R1.11 C1=CSC(=C1)C(=O)CCl PI-29443 [0,2,0,0,0,0|0,1,0]=3 455 B9R1.11 C1=CSC(=N1)C(=O)CBr PI-45387 [0,2,0,0,0,0|1,1,0]=4 456 B9R1.11 C1=CSC=C1C(=O)CBr PI-29147 [0,2,0,0,0,0|2,0,0]=4 457 B9R1.11 C1=CSC=C1C(=O)NN PI-29542 [0,2,0,0,0,0|2,0,0]=4 458 B9R1.11 CC(C1=CC=CO1)NO PI-19088 [0,2,0,0,0,0|0,0,2]=4 459 B9R1.11 CCC(=O)C1=CC=CS1 PI-32561 [0,2,0,0,0,0|0,1,0]=3 460 B9R1.11 CCC(=O)C1=NC=CS1 PI-48498 [0,2,0,0,0,0|1,1,0]=4 461 B9R1.11 CCC(=O)c1ccco1 PI-17052 [0,2,0,0,0,0|0,0,0]=2 462 B9R1.11 COC(=O)C1=CC=CO1 PI-13054 [0,2,0,0,0,0|0,0,0]=2 463 B9R1.11 COC(=O)C1=CC=NN1 PI-50563 [0,2,0,0,0,0|2,0,0]=4 464 B9R1.11 COC(=O)C1=CN=CN1 PI-40206 [0,2,0,0,0,0|2,0,0]=4 465 B9R1.11 COC(=O)C1=CN=CS1 PI-25162 [0,2,0,0,0,0|1,1,0]=4 466 B9R1.11 COC(=O)C1=COC=C1 PI-19097 [0,2,0,0,0,0|2,0,0]=4 467 B9R1.11 COC(=O)c1cccs1 PI-30692 [0,2,0,0,0,0|0,1,0]=3 468 B9R1.11 NCC(c1ccco1)O PI-15941 [0,2,0,0,0,0|0,0,2]=4 469 B9R1.11 NNC(=O)c1ccco1 PI-28398 [0,2,0,0,0,0|0,0,0]=2 470 B9R1.11 NNC(=O)c1cccs1 PI-18375 [0,2,0,0,0,0|0,1,0]=3 471 B9R1.11 O=C(C1=CC=CN1)OC PI-42625 [0,2,0,0,0,0|1,0,0]=3 472 B9R1.11 O=C(C1=CNC=C1)OC PI-46831 [0,2,0,0,0,0|2,0,0]=4 473 B9R1.19 C1=CSC(=C1)S(=O)(=O)N PI-29805 [0,2,0,0,0,0|1,1,0]=4 474 B9R1.19 CS(=O)(=O)C1=CC=CS1 PI-29538 [0,2,0,0,0,0|1,1,0]=4 475 B9R1.19 ClS(=O)(=O)c1cccs1 PI-24139 [0,2,0,0,0,0|1,1,0]=4 476 B9R1.41 C1=C(C(=CS1)Br)C(=O)O PI-29187 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.41 C1=CSC(=C1Br)C(=O)Cl PI-29405 [0,2,0,0,0,0|0,1,0]=3 478 B9R1.41 C1=CSC(=C1Br)C(=O)O PI-22617 [0,2,0,0,0,0|0,1,0]=3 479 B9R1.41 C1=CSC(=C1Cl)C(=O)Cl PI-20245 [0,2,0,0,0,0|0,1,0]=3 480 B9R1.41 C1=CSC(=C1Cl)C(=O)N PI-29148 [0,2,0,0,0,0|0,1,0]=3 481 B9R1.41 C1=CSC(=C1Cl)C(=O)O PI-10801 [0,2,0,0,0,0|0,1,0]=3 482 B9R1.41 C1=NC(=C(N1)C(=O)N)N PI-10147 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.41 C1=NC(=C(S1)N)C(=O)N PI-48355 [0,2,0,0,0,0|2,0,0]=4 484 B9R1.41 CC(=O)C1=C(C=CS1)N PI-26559 [0,2,0,0,0,0|0,1,0]=3 485 B9R1.41 CC(=O)C1=CC=CN1C PI-12067 [0,2,0,0,0,0|1,0,0]=3 486 B9R1.41 CC1=C(C=CO1)C(=O)Cl PI-19717 [0,2,0,0,0,0|2,0,0]=4 487 B9R1.41 CC1=C(OC=C1)C(=O)O PI-17475 [0,2,0,0,0,0|0,0,0]=2 488 B9R1.41 CC1=C(SC=C1)C(=O)C PI-35069 [0,2,0,0,0,0|0,1,0]=3 489 B9R1.41 CC1=C(SC=C1)C(=O)Cl PI-11936 [0,2,0,0,0,0|0,1,0]=3 490 B9R1.41 CC1=C(SC=C1)C(=O)N PI-29912 [0,2,0,0,0,0|0,1,0]=3 491 B9R1.41 CC1=C(SC=C1)C(=O)O PI-11161 [0,2,0,0,0,0|0,1,0]=3 492 B9R1.41 CC1=C(SC=N1)C(=O)O PI-11138 [0,2,0,0,0,0|1,1,0]=4 493 B9R1.41 CN1C=CN=C1C(=O)O PI-45034 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.41 Cn1cncc1C(=O)O PI-35821 [0,2,0,0,0,0|2,0,0]=4 495 B9R1.41 NC(=O)c1[nH]cnc1N PI-31291 [0,2,0,0,0,0|2,0,0]=4 496 B9R1.41 NC(=O)c1nc[nH]c1N PI-36874 [0,2,0,0,0,0|2,0,0]=4 497 B9R1.41 NC(=O)c1sccc1N PI-14136 [0,2,0,0,0,0|0,1,0]=3 498 B9R1.41 O=C(C1=C(Br)SC=C1)O PI-41655 [0,2,0,0,0,0|2,0,0]=4 499 B9R1.41 O=C(C1=C(N)SC=C1)N PI-37067 [0,2,0,0,0,0|2,0,0]=4 500 B9R1.41 OC(=O)c1occc1Br PI-39205 [0,2,0,0,0,0|0,0,0]=2 501 B9R1.41 OC(=O)c1sccc1O PI-36902 [0,2,0,0,0,0|0,1,0]=3 502 B9R1.13 C1=CN(N=C1)CC(=O)O PI-35655 [0,2,0,0,0,0|2,0,0]=4 503 B9R1.13 C1=COC=C1CC(=O)O PI-36295 [0,2,0,0,0,0|2,0,0]=4 504 B9R1.13 C1=CSC(=C1)CC(=O)Cl PI-11881 [0,2,0,0,0,0|0,1,0]=3 505 B9R1.13 CC(=O)NC1=CC=CS1 PI-12512 [0,2,0,0,0,0|0,1,0]=3 506 B9R1.13 CC(=O)NC1=NC=CS1 PI-26514 [0,2,0,0,0,0|1,1,0]=4 507 B9R1.13 CC(N)Cc1ccco1 PI-36445 [0,2,0,0,0,0|1,0,1]=4 508 B9R1.13 CN(C)C=C1C=CC=C1 PI-48994 [0,2,0,0,0,0|2,0,0]=4 509 B9R1.13 OC(=O)CC1=CC=C[CH-]1 PI-40764 [0,2,0,0,0,0|1,0,0]=3 510 B9R1.13 OC(=O)Cc1c[nH]cn1 PI-21909 [0,2,0,0,0,0|2,0,0]=4 511 B9R1.13 OC(=O)Cc1cccs1 PI-11148 [0,2,0,0,0,0|0,1,0]=3 512 B9R1.13 OC(=O)Cc1cscc1 PI-15240 [0,2,0,0,0,0|2,0,0]=4 513 B9R1.14 CCN1C=CN=C1C=O PI-39047 [0,2,0,0,0,0|2,0,0]=4 514 B9R1.14 O=Cc1sccc1C=O PI-36464 [0,2,0,0,0,0|0,1,0]=3 515 B9R1.27 CN1C=NC(=C1C=O)Br PI-25143 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.27 CN1C=NC(=C1C=O)I PI-25281 [0,2,0,0,0,0|2,0,0]=4 517 B7R1.3 Brc1cccnc1 PI-11914 [0,0,1,1,0,0|2,0,0]=4 518 B7R1.3 C1=CC(=CN=C1)I PI-11390 [0,0,1,1,0,0|2,0,0]=4 519 B7R1.3 C1=CC(=CN=C1)O PI-44714 [0,0,1,1,0,0|1,0,0]=3 520 B7R1.3 C1=CC(=CN=C1)[O-] PI-42109 [0,0,1,1,0,0|1,0,1]=4 521 B7R1.3 C1=CC(=O)OC=C1 PI-46989 [0,0,1,1,0,0|2,0,0]=4 522 B7R1.3 C1=CC=C(C=C1)[Si] PI-45035 [0,0,1,1,0,0|2,0,0]=4 523 B7R1.3 Clc1cccnc1 PI-11921 [0,0,1,1,0,0|2,0,0]=4 524 B7R1.3 Fc1cccnc1 PI-16759 [0,0,1,1,0,0|2,0,0]=4 525 B7R1.3 Ic1ccccc1 PI-37973 [0,0,1,1,0,0|2,0,0]=4 526 B7R1.3 Oc1cncnc1 PI-36495 [0,0,1,1,0,0|2,0,0]=4 527 B7R1.3 [S-]c1ccccc1 PI-17985 [0,0,1,1,0,0|1,1,0]=4 528 B7R1.24 C1=CC=C[CH+]C=C1 PI-30408 [0,0,1,1,0,0|2,0,0]=4 529 B9R2.3 c1sc2ccsc2c1 PI-35134 [0,1,0,1,0,0|0,2,0]=4