0 B7R1.1 BrCc1cscc1 PI-14311 [0,0,0,0,0,0|3,0,0]=3 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(N=CS1)C=O PI-25454 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.1 C1=C(N=CS1)CCl PI-11980 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 C1=C(N=CS1)CCl PI-48844 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.1 C1=C(NC=N1)C#N PI-40207 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.1 C1=C(NC=N1)C=O PI-34783 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.1 C1=C(NC=N1)CO PI-31940 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.1 C1=C(SC=N1)CN PI-45069 [0,0,0,0,0,0|2,1,0]=3 10 B7R1.1 C1=C(SC=N1)CN PI-45398 [0,0,0,0,0,0|2,1,0]=3 11 B7R1.1 C1=C(SC=N1)CO PI-12202 [0,0,0,0,0,0|1,1,0]=2 12 B7R1.1 C1=CNC=C1C=O PI-34088 [0,0,0,0,0,0|2,0,2]=4 13 B7R1.1 C1=COC(=C1)CS PI-48474 [0,0,0,0,0,0|0,1,0]=1 14 B7R1.1 C1=CSC(=C1)C=O PI-44709 [0,0,0,0,0,0|0,1,2]=3 15 B7R1.1 C1=CSC(=C1)CCl PI-50490 [0,0,0,0,0,0|1,1,0]=2 16 B7R1.1 C1=CSC(=C1)CO PI-11151 [0,0,0,0,0,0|0,1,0]=1 17 B7R1.1 C1=CSC(=N1)C#N PI-40537 [0,0,0,0,0,0|2,1,1]=4 18 B7R1.1 C1=CSC(=N1)CN PI-45385 [0,0,0,0,0,0|2,1,0]=3 19 B7R1.1 C1=CSC(=N1)NN PI-44075 [0,0,0,0,0,0|3,1,0]=4 20 B7R1.1 C1=CSC=C1C#N PI-20214 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.1 C1=CSC=C1CN PI-31789 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.1 C1=NN(C=N1)CCl PI-32972 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.1 C1=N[NH]C=C1CO PI-39407 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.1 CCC1=CC=CS1 PI-10993 [0,0,0,0,0,0|1,1,0]=2 25 B7R1.1 CCC1=CSC=C1 PI-35073 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.1 CCN1C=CC=C1 PI-12065 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.1 CCc1ncc[nH]1 PI-31817 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.1 CCn1cccn1 PI-35920 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.1 CCn1cncn1 PI-37585 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.1 COC1=NC=CS1 PI-11131 [0,0,0,0,0,0|3,1,0]=4 31 B7R1.1 COc1cccs1 PI-33573 [0,0,0,0,0,0|2,1,0]=3 32 B7R1.1 COc1cscc1 PI-27269 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.1 CSC1=CSC=C1 PI-29322 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.1 ClCc1nocn1 PI-20167 [0,0,0,0,0,0|4,0,0]=4 35 B7R1.1 N#Cc1cccs1 PI-10787 [0,0,0,0,0,0|1,1,1]=3 36 B7R1.1 NCC1=CN=NN1 PI-36481 [0,0,0,0,0,0|4,0,0]=4 37 B7R1.1 NCc1cccs1 PI-11152 [0,0,0,0,0,0|1,1,0]=2 38 B7R1.1 NNC1=NC=CS1 PI-41794 [0,0,0,0,0,0|3,1,0]=4 39 B7R1.1 O=CC1=NC=CO1 PI-39572 [0,0,0,0,0,0|1,0,2]=3 40 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [0,0,0,0,0,0|2,0,2]=4 41 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [0,0,0,0,0,0|1,0,2]=3 42 B7R1.1 O=Cc1cnco1 PI-38922 [0,0,0,0,0,0|1,0,2]=3 43 B7R1.1 O=Cc1cncs1 PI-25019 [0,0,0,0,0,0|1,1,2]=4 44 B7R1.1 O=Cc1cscc1 PI-10763 [0,0,0,0,0,0|2,0,2]=4 45 B7R1.1 O=Cc1ncc[nH]1 PI-24015 [0,0,0,0,0,0|2,0,2]=4 46 B7R1.1 O=Cc1nccs1 PI-11133 [0,0,0,0,0,0|1,1,2]=4 47 B7R1.1 OCC1=NC=CN1 PI-36879 [0,0,0,0,0,0|2,0,0]=2 48 B7R1.1 OCC1CC=CC1 PI-35499 [0,0,0,0,0,0|1,0,2]=3 49 B7R1.1 OCc1c[nH]cn1 PI-27482 [0,0,0,0,0,0|2,0,0]=2 50 B7R1.1 OCc1cnco1 PI-38536 [0,0,0,0,0,0|1,0,0]=1 51 B7R1.1 OCc1cscc1 PI-29874 [0,0,0,0,0,0|2,0,0]=2 52 B7R1.1 OCc1cscn1 PI-25015 [0,0,0,0,0,0|2,0,0]=2 53 B7R1.1 OCc1nccs1 PI-38807 [0,0,0,0,0,0|1,1,0]=2 54 B6R1.2 Brc1c[nH]cn1 PI-31938 [1,0,0,0,0,0|3,0,0]=4 55 B6R1.2 Brc1ccco1 PI-14449 [1,0,0,0,0,0|1,0,0]=2 56 B6R1.2 Brc1cccs1 PI-11144 [1,0,0,0,0,0|1,1,0]=3 57 B6R1.2 Brc1cscc1 PI-10760 [1,0,0,0,0,0|3,0,0]=4 58 B6R1.2 Brc1cscn1 PI-38310 [1,0,0,0,0,0|3,0,0]=4 59 B6R1.2 Brc1ncc[nH]1 PI-39207 [1,0,0,0,0,0|3,0,0]=4 60 B6R1.2 C1=C(NN=C1)N PI-10514 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 C1=C(ON=C1)N PI-34865 [1,0,0,0,0,0|2,0,0]=3 62 B6R1.2 C1=C(SC=N1)Br PI-45402 [1,0,0,0,0,0|2,1,0]=4 63 B6R1.2 C1=CN=C(N1)N PI-11170 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 C1=CN=C(N1)N PI-45241 [1,0,0,0,0,0|3,0,0]=4 65 B6R1.2 C1=CN=C(N1)N PI-45281 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 C1=CNC=C1F PI-49258 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 C1=CSC(=N1)Br PI-11814 [1,0,0,0,0,0|2,1,0]=4 68 B6R1.2 C1=CSC=C1F PI-49323 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 C1OC(=O)C=C1 PI-37270 [1,0,0,0,0,0|0,0,2]=3 70 B6R1.2 CC1=CC=CS1 PI-11146 [1,0,0,0,0,0|0,1,0]=2 71 B6R1.2 CC1=CN=CN1 PI-44758 [1,0,0,0,0,0|2,0,0]=3 72 B6R1.2 CC1=COC=C1 PI-41011 [1,0,0,0,0,0|2,0,0]=3 73 B6R1.2 Cc1c[nH]nc1 PI-34810 [1,0,0,0,0,0|3,0,0]=4 74 B6R1.2 Cc1cc[nH]n1 PI-31344 [1,0,0,0,0,0|2,0,0]=3 75 B6R1.2 Cc1cncs1 PI-33497 [1,0,0,0,0,0|1,1,0]=3 76 B6R1.2 Cc1nc[nH]n1 PI-40309 [1,0,0,0,0,0|3,0,0]=4 77 B6R1.2 Cc1nccs1 PI-11132 [1,0,0,0,0,0|1,1,0]=3 78 B6R1.2 ClC1=CSC=C1 PI-11160 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 Clc1ncc[nH]1 PI-20136 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 Clc1nccs1 PI-39297 [1,0,0,0,0,0|2,1,0]=4 81 B6R1.2 Cn1cccn1 PI-37584 [1,0,0,0,0,0|2,0,0]=3 82 B6R1.2 Cn1cncc1 PI-31809 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 Cn1cncn1 PI-37321 [1,0,0,0,0,0|3,0,0]=4 84 B6R1.2 Ic1c[nH]cn1 PI-31936 [1,0,0,0,0,0|3,0,0]=4 85 B6R1.2 Ic1cc[nH]n1 PI-39060 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.2 Ic1cccs1 PI-11145 [1,0,0,0,0,0|1,1,0]=3 87 B6R1.2 NC1=CN=CS1 PI-33967 [1,0,0,0,0,0|2,1,0]=4 88 B6R1.2 NC1=NC=CO1 PI-40002 [1,0,0,0,0,0|2,0,0]=3 89 B6R1.2 NC1=NOC=C1 PI-13009 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 O=C1CC=CC1 PI-38266 [1,0,0,0,0,0|1,0,2]=4 91 B6R1.2 O=c1occo1 PI-15331 [1,0,0,0,0,0|1,0,1]=3 92 B6R1.2 OC1CC=CC1 PI-38265 [1,0,0,0,0,0|1,0,2]=4 93 B6R1.2 Sc1cccs1 PI-27908 [1,0,0,0,0,0|0,2,0]=3 94 B6R1.2 Sc1nccs1 PI-11130 [1,0,0,0,0,0|1,2,0]=4 95 B8R1.1 BrC1=CC=C(S1)C#N PI-40827 [0,1,0,0,0,0|1,1,1]=4 96 B8R1.1 Brc1cc(oc1)C=O PI-21495 [0,1,0,0,0,0|0,0,2]=3 97 B8R1.1 Brc1cc(sc1)C=O PI-16278 [0,1,0,0,0,0|0,1,2]=4 98 B8R1.1 Brc1ccc(C=O)o1 PI-31098 [0,1,0,0,0,0|0,0,2]=3 99 B8R1.1 Brc1ccc(C=O)s1 PI-35909 [0,1,0,0,0,0|0,1,2]=4 100 B8R1.1 C1=C(N=C(S1)Br)CO PI-25632 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.1 C1=C(OC(=C1)I)C=O PI-31133 [0,1,0,0,0,0|0,0,2]=3 102 B8R1.1 C1=C(SC(=C1)Br)CO PI-45451 [0,1,0,0,0,0|0,1,0]=2 103 B8R1.1 C1=C(SC(=C1)Cl)C=O PI-30886 [0,1,0,0,0,0|0,1,2]=4 104 B8R1.1 C1=C(SC(=C1)Cl)CCl PI-27377 [0,1,0,0,0,0|1,1,0]=3 105 B8R1.1 C1=C(SC(=C1)Cl)CO PI-45044 [0,1,0,0,0,0|0,1,0]=2 106 B8R1.1 C1=CC(=O)OC1CO PI-27913 [0,1,0,0,0,0|0,0,1]=2 107 B8R1.1 C1C(C=CC1N)CO PI-35187 [0,1,0,0,0,0|1,0,2]=4 108 B8R1.1 CC1=CC(=NO1)CCl PI-20163 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.1 CC1=CC=C(O1)C=O PI-44598 [0,1,0,0,0,0|0,0,2]=3 110 B8R1.1 CC1=CC=C(O1)CN PI-43985 [0,1,0,0,0,0|1,0,0]=2 111 B8R1.1 CC1=CSC(=C1)C=O PI-29744 [0,1,0,0,0,0|0,1,2]=4 112 B8R1.1 CC1=NC(=CS1)CCl PI-20165 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.1 CCC1=CC(=NO1)N PI-40978 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.1 CCC1=CN=C(S1)N PI-32196 [0,1,0,0,0,0|2,1,0]=4 115 B8R1.1 CCC1=NC(=CS1)C PI-11124 [0,1,0,0,0,0|2,1,0]=4 116 B8R1.1 CCC1=NC=C(N1)C PI-31806 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.1 CCN1C=C(C=N1)Br PI-34759 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.1 COC1=CC(=NO1)N PI-34618 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.1 Cc1cc(no1)CO PI-20812 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.1 Cc1ccc(C=O)s1 PI-10821 [0,1,0,0,0,0|0,1,2]=4 121 B8R1.1 ClCc1cnc(s1)Cl PI-11121 [0,1,0,0,0,0|2,1,0]=4 122 B8R1.1 N#CC1=CC(Br)=CS1 PI-37131 [0,1,0,0,0,0|1,1,1]=4 123 B8R1.1 OCC1=CN=C(Cl)S1 PI-46742 [0,1,0,0,0,0|1,1,0]=3 124 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,1,0,0,0,0|0,0,3]=4 125 B8R1.7 B(C1=CNC=C1)(O)O PI-33181 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.7 B(C1=CSC=C1)(O)O PI-28689 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [0,1,0,0,0,0|2,0,1]=4 128 B8R1.7 C1=C(ON=C1)C(=O)Cl PI-29789 [0,1,0,0,0,0|1,0,2]=4 129 B8R1.7 C1=C(SC=N1)C(=O)O PI-25160 [0,1,0,0,0,0|1,1,1]=4 130 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [0,1,0,0,0,0|2,0,1]=4 131 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [0,1,0,0,0,0|2,0,1]=4 133 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [0,1,0,0,0,0|0,0,2]=3 134 B8R1.7 C1=COC=C1C(=O)O PI-16502 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.7 C1=CON=C1C(=O)O PI-48871 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.7 C1=CSC(=C1)C(=N)N PI-29689 [0,1,0,0,0,0|1,1,1]=4 137 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [0,1,0,0,0,0|0,1,2]=4 138 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [0,1,0,0,0,0|0,1,2]=4 139 B8R1.7 C1=CSC(=C1)[N+](=O)[O-] PI-10995 [0,1,0,0,0,0|1,1,1]=4 140 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [0,1,0,0,0,0|1,0,2]=4 141 B8R1.7 CC(C)C1=NC=CN1 PI-31819 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.7 CC(C1=CC=CS1)O PI-12508 [0,1,0,0,0,0|0,1,0]=2 143 B8R1.7 CC(C1=CC=C[CH-]1)O PI-44457 [0,1,0,0,0,0|1,0,0]=2 144 B8R1.7 CC(N)C1=CC=CS1 PI-40007 [0,1,0,0,0,0|1,1,0]=3 145 B8R1.7 CC(c1cc[nH]n1)C PI-34763 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [0,1,0,0,0,0|0,1,0]=2 147 B8R1.7 NC(=S)c1ccco1 PI-19230 [0,1,0,0,0,0|0,1,1]=3 148 B8R1.7 NC(=S)c1cccs1 PI-39110 [0,1,0,0,0,0|0,2,1]=4 149 B8R1.7 OB(c1ccco1)O PI-33002 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.7 OB(c1cccs1)O PI-16529 [0,1,0,0,0,0|1,1,0]=3 151 B8R1.7 OB(c1cocc1)O PI-18685 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.7 OB(c1ncsc1)O PI-39512 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.7 OC(=O)c1cc[nH]n1 PI-34779 [0,1,0,0,0,0|2,0,1]=4 154 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [0,1,0,0,0,0|1,0,1]=3 155 B8R1.7 OC(=O)c1cccs1 PI-38239 [0,1,0,0,0,0|0,1,1]=3 156 B8R1.7 OC(=O)c1ccno1 PI-29335 [0,1,0,0,0,0|1,0,1]=3 157 B8R1.7 OC(=O)c1cocn1 PI-43182 [0,1,0,0,0,0|2,0,1]=4 158 B8R1.7 OC(=O)c1cscc1 PI-10764 [0,1,0,0,0,0|2,0,1]=4 159 B8R1.7 OC(=O)c1cscn1 PI-28011 [0,1,0,0,0,0|2,0,1]=4 160 B8R1.8 C1=C(NC=N1)CCN PI-44999 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.8 C1=C(NC=N1)CCO PI-31941 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.8 C1=CN(N=N1)CCO PI-19882 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.8 CCCC1=NC=CN1 PI-24452 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.8 CCOC1=NC=CS1 PI-11123 [0,1,0,0,0,0|2,1,0]=4 165 B8R1.8 CNCC1=CC=NO1 PI-48159 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.8 CSCC1=CC=CO1 PI-48491 [0,1,0,0,0,0|0,1,0]=2 167 B8R1.8 ClCCC1=CNC=N1 PI-39992 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.8 N#CCc1cccs1 PI-10786 [0,1,0,0,0,0|1,1,0]=3 169 B8R1.8 N#CCc1cscc1 PI-35071 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.8 NCCc1cccs1 PI-11168 [0,1,0,0,0,0|1,1,0]=3 171 B8R1.8 NCCc1nc[nH]c1 PI-27712 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.8 O=C=Nc1cccs1 PI-27322 [0,1,0,0,0,0|0,1,2]=4 173 B8R1.8 OCCC1=CSC=C1 PI-42380 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.8 OCCc1cccs1 PI-11150 [0,1,0,0,0,0|0,1,0]=2 175 B8R1.8 OCCn1cncc1 PI-20761 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.11 C1=CSC(=C1Br)C=O PI-22616 [0,1,0,0,0,0|0,1,2]=4 177 B8R1.11 C1=CSC(=C1CCl)Cl PI-35066 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.11 C1=CSC(=C1CN)Br PI-14463 [0,1,0,0,0,0|3,0,0]=4 179 B8R1.11 C1=CSC(=C1Cl)C=O PI-42060 [0,1,0,0,0,0|0,1,2]=4 180 B8R1.11 C1=NC(=C(N1)CN)N PI-12518 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.11 C1=NC(=C(S1)CO)Br PI-50058 [0,1,0,0,0,0|1,1,0]=3 182 B8R1.11 CC1=C(CO)NC=N1 PI-11991 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.11 CC1=C(N=CN1)CO PI-32341 [0,1,0,0,0,0|2,0,0]=3 184 B8R1.11 CC1=C(SC=C1)C#N PI-30712 [0,1,0,0,0,0|1,1,1]=4 185 B8R1.11 CC1=C(SC=C1)C=O PI-10802 [0,1,0,0,0,0|0,1,2]=4 186 B8R1.11 CCC1=CC=CN1N PI-40301 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.11 CCn1nccc1N PI-36873 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.11 CN1C=CC=C1C=O PI-33707 [0,1,0,0,0,0|1,0,2]=4 189 B8R1.11 CN1C=CN=C1CO PI-33166 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.11 CN1N=CC=C1CC PI-39594 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.11 N#CC1=C(Br)C=CS1 PI-37130 [0,1,0,0,0,0|1,1,1]=4 192 B8R1.11 N#Cc1cccn1C PI-34307 [0,1,0,0,0,0|2,0,1]=4 193 B8R1.11 NCC1=CC=NN1C PI-40532 [0,1,0,0,0,0|3,0,0]=4 194 B8R1.11 NCc1nccn1C PI-38209 [0,1,0,0,0,0|3,0,0]=4 195 B6R0.6 CC=CC=CCO PI-24146 [0,0,1,0,0,0|1,0,0]=2 196 B6R0.6 CCC\C=C\C=O PI-40157 [0,0,1,0,0,0|1,0,2]=4 197 B8R2.55 C1CC12C=CC=C2 PI-39316 [0,0,0,1,0,0|2,0,1]=4 198 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [0,0,0,0,0,1|2,0,0]=3 199 B8R1.2 BrCC1=CN=CN=C1 PI-40551 [0,0,0,0,0,1|3,0,0]=4 200 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [0,0,0,0,0,1|2,0,1]=4 201 B8R1.2 C#CC1=NC=CC=C1 PI-37137 [0,0,0,0,0,1|2,0,1]=4 202 B8R1.2 C1=C(C=NC=N1)CO PI-32945 [0,0,0,0,0,1|2,0,0]=3 203 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [0,0,0,0,0,1|2,0,0]=3 204 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [0,0,0,0,0,1|2,0,0]=3 205 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [0,0,0,0,0,1|3,0,0]=4 206 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [0,0,0,0,0,1|3,0,0]=4 207 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [0,0,0,0,0,1|3,0,0]=4 208 B8R1.2 C1=CN=C(C=N1)NN PI-48275 [0,0,0,0,0,1|3,0,0]=4 209 B8R1.2 C1=CN=C(N=C1)C#N PI-15315 [0,0,0,0,0,1|2,0,1]=4 210 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [0,0,0,0,0,1|1,0,2]=4 211 B8R1.2 C1=CN=C(N=C1)CO PI-35153 [0,0,0,0,0,1|1,0,0]=2 212 B8R1.2 C1=CN=CC=C1CCl PI-31734 [0,0,0,0,0,1|2,0,0]=3 213 B8R1.2 C1=CN=CC=C1CO PI-16744 [0,0,0,0,0,1|1,0,0]=2 214 B8R1.2 C1=CN=CN=C1C=O PI-34868 [0,0,0,0,0,1|1,0,2]=4 215 B8R1.2 C1=CN=CN=C1CO PI-35498 [0,0,0,0,0,1|1,0,0]=2 216 B8R1.2 C1CC(OC=C1)CN PI-31375 [0,0,0,0,0,1|1,0,2]=4 217 B8R1.2 C1CC(OC=C1)CO PI-28456 [0,0,0,0,0,1|0,0,2]=3 218 B8R1.2 CCC1=CC=CC=N1 PI-49466 [0,0,0,0,0,1|2,0,0]=3 219 B8R1.2 CCC1=NC=CN=C1 PI-11040 [0,0,0,0,0,1|2,0,0]=3 220 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [0,0,0,0,0,1|3,0,0]=4 221 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [0,0,0,0,0,1|3,0,0]=4 222 B8R1.2 CNC1=CC=CC=N1 PI-11864 [0,0,0,0,0,1|3,0,0]=4 223 B8R1.2 CNC1=CC=NC=C1 PI-23603 [0,0,0,0,0,1|3,0,0]=4 224 B8R1.2 CNC1=CN=CC=C1 PI-11328 [0,0,0,0,0,1|3,0,0]=4 225 B8R1.2 COC1=CC=CC=N1 PI-33887 [0,0,0,0,0,1|3,0,0]=4 226 B8R1.2 COC1=CC=NC=C1 PI-10034 [0,0,0,0,0,1|3,0,0]=4 227 B8R1.2 COC1=CN=CC=C1 PI-33889 [0,0,0,0,0,1|3,0,0]=4 228 B8R1.2 COC1=NC=CN=C1 PI-11859 [0,0,0,0,0,1|3,0,0]=4 229 B8R1.2 CSC1=CC=CC=N1 PI-16757 [0,0,0,0,0,1|3,0,0]=4 230 B8R1.2 CSC1=NC=CN=C1 PI-11048 [0,0,0,0,0,1|3,0,0]=4 231 B8R1.2 ClCC1=CN=CC=N1 PI-39634 [0,0,0,0,0,1|2,0,0]=3 232 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [0,0,0,0,0,1|2,0,0]=3 233 B8R1.2 ClCc1ccccn1 PI-16716 [0,0,0,0,0,1|2,0,0]=3 234 B8R1.2 ClCc1ncccn1 PI-35014 [0,0,0,0,0,1|2,0,0]=3 235 B8R1.2 ClCc1ncccn1 PI-40553 [0,0,0,0,0,1|2,0,0]=3 236 B8R1.2 NCC1=CC=CC=C1 PI-37209 [0,0,0,0,0,1|2,0,0]=3 237 B8R1.2 NCC1=CC=NC=C1 PI-41875 [0,0,0,0,0,1|2,0,0]=3 238 B8R1.2 NCc1ccccn1 PI-33905 [0,0,0,0,0,1|2,0,0]=3 239 B8R1.2 NCc1cccnc1 PI-15236 [0,0,0,0,0,1|2,0,0]=3 240 B8R1.2 NCc1ccncc1 PI-31790 [0,0,0,0,0,1|2,0,0]=3 241 B8R1.2 NCc1ncccn1 PI-34855 [0,0,0,0,0,1|2,0,0]=3 242 B8R1.2 NCc1ncccn1 PI-34856 [0,0,0,0,0,1|2,0,0]=3 243 B8R1.2 NNC1=CC=CC=C1 PI-41551 [0,0,0,0,0,1|3,0,0]=4 244 B8R1.2 O=Cc1ccccn1 PI-33895 [0,0,0,0,0,1|1,0,2]=4 245 B8R1.2 O=Cc1cccnc1 PI-33908 [0,0,0,0,0,1|1,0,2]=4 246 B8R1.2 O=Cc1ccncc1 PI-13140 [0,0,0,0,0,1|1,0,2]=4 247 B8R1.2 OCC1=CC=CN=C1 PI-11019 [0,0,0,0,0,1|1,0,0]=2 248 B8R1.2 OCC1=NC=CC=C1 PI-16261 [0,0,0,0,0,1|1,0,0]=2 249 B8R1.2 OCc1ccncc1 PI-16686 [0,0,0,0,0,1|1,0,0]=2 250 B8R1.2 ONc1ccccc1 PI-38448 [0,0,0,0,0,1|2,0,0]=3 251 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [0,0,0,0,0,1|2,0,1]=4 252 B8R1.2 c1nccnc1C#N PI-11837 [0,0,0,0,0,1|2,0,1]=4 253 B5R0.1 CC=CC(=O)C PI-45740 [1,0,1,0,0,0|0,0,2]=4 254 B5R0.1 C\C=C\C(=O)O PI-48966 [1,0,1,0,0,0|0,0,2]=4 255 B5R0.2 C(=NO)C=NO PI-48870 [1,0,1,0,0,0|2,0,0]=4 256 B5R0.2 C=COCCO PI-12735 [1,0,1,0,0,0|0,0,1]=3 257 B5R0.2 CCO\C=C\C PI-12734 [1,0,1,0,0,0|0,0,2]=4 258 B5R0.2 OCCCC=C PI-13243 [1,0,1,0,0,0|0,0,2]=4 259 B5R0.2 OC\C=C\CO PI-40910 [1,0,1,0,0,0|0,0,1]=3 260 B5R0.3 C(C(C=O)O)O PI-14881 [1,0,1,0,0,0|1,0,1]=4 261 B5R0.3 C=CC(C=C)O PI-44995 [1,0,1,0,0,0|1,0,1]=4 262 B5R0.3 C=C[C@H](CO)N PI-48191 [1,0,1,0,0,0|1,0,1]=4 263 B5R0.3 CCC(=C)C=O PI-44654 [1,0,1,0,0,0|2,0,0]=4 264 B5R0.3 N[C@H](CO)C=C PI-36414 [1,0,1,0,0,0|1,0,1]=4 265 B5R0.3 O=C[C@@H](O)CO PI-14882 [1,0,1,0,0,0|1,0,1]=4 266 B5R0.3 OCC(=C)CO PI-24347 [1,0,1,0,0,0|1,0,1]=4 267 B5R1.1 C1=CSC=C1 PI-45119 [2,0,0,0,0,0|0,1,0]=3 268 B5R1.1 C1=CSC=N1 PI-45012 [2,0,0,0,0,0|1,1,0]=4 269 B5R1.1 C1=CSN=C1 PI-41498 [2,0,0,0,0,0|1,1,0]=4 270 B5R1.1 C1COC=C1 PI-45414 [2,0,0,0,0,0|0,0,2]=4 271 B5R1.1 O1C=NC=C1 PI-37188 [2,0,0,0,0,0|1,0,0]=3 272 B5R1.1 O1N=CC=C1 PI-37186 [2,0,0,0,0,0|1,0,0]=3 273 B5R1.1 c1ccn[nH]1 PI-12159 [2,0,0,0,0,0|2,0,0]=4 274 B7R0.4 CCO\C=C\C(=O)O PI-41236 [0,1,1,0,0,0|2,0,0]=4 275 B7R1.2 Brc1c[nH]c(n1)C PI-14475 [1,1,0,0,0,0|2,0,0]=4 276 B7R1.2 Brc1ccc(Br)o1 PI-17239 [1,1,0,0,0,0|1,0,0]=3 277 B7R1.2 C1=C(Br)SC(=C1)Br PI-11156 [1,1,0,0,0,0|1,1,0]=4 278 B7R1.2 C1=C(N=C(S1)N)O PI-45401 [1,1,0,0,0,0|2,0,0]=4 279 B7R1.2 C1=C(SC(=C1)Br)Cl PI-20666 [1,1,0,0,0,0|1,1,0]=4 280 B7R1.2 C1=C(SC(=C1)Br)N PI-45449 [1,1,0,0,0,0|1,1,0]=4 281 B7R1.2 C1=C(SC(=C1)Cl)Cl PI-11157 [1,1,0,0,0,0|1,1,0]=4 282 B7R1.2 C1=C(SC(=C1)I)I PI-21280 [1,1,0,0,0,0|1,1,0]=4 283 B7R1.2 C1=C(SC=C1Br)Br PI-26554 [1,1,0,0,0,0|1,1,0]=4 284 B7R1.2 C1C(C=CC1=O)O PI-48068 [1,1,0,0,0,0|1,0,1]=4 285 B7R1.2 CC1=CC(=CS1)Br PI-22178 [1,1,0,0,0,0|0,1,0]=3 286 B7R1.2 CC1=CC(=NO1)C PI-11253 [1,1,0,0,0,0|1,0,0]=3 287 B7R1.2 CC1=CC(=O)N=N1 PI-30060 [1,1,0,0,0,0|2,0,0]=4 288 B7R1.2 CC1=CC=C(O1)C PI-44542 [1,1,0,0,0,0|0,0,0]=2 289 B7R1.2 CC1=CC=C(S1)Br PI-11164 [1,1,0,0,0,0|0,1,0]=3 290 B7R1.2 CC1=CC=C(S1)C PI-11158 [1,1,0,0,0,0|0,1,0]=3 291 B7R1.2 CC1=CN=C(S1)Br PI-45050 [1,1,0,0,0,0|1,1,0]=4 292 B7R1.2 CC1=CN=C(S1)C PI-11134 [1,1,0,0,0,0|1,1,0]=4 293 B7R1.2 CC1=CN=C(S1)Cl PI-11122 [1,1,0,0,0,0|1,1,0]=4 294 B7R1.2 CC1=CNC(=O)N1 PI-31820 [1,1,0,0,0,0|2,0,0]=4 295 B7R1.2 CC1=CSC(=N1)Br PI-40542 [1,1,0,0,0,0|2,0,0]=4 296 B7R1.2 CC1=CSC(=N1)C PI-11115 [1,1,0,0,0,0|1,1,0]=4 297 B7R1.2 CC1=CSC(=S)N1 PI-30630 [1,1,0,0,0,0|2,0,0]=4 298 B7R1.2 CC1=CSC(Cl)=N1 PI-40543 [1,1,0,0,0,0|2,0,0]=4 299 B7R1.2 CC1=NC=C(N1)I PI-45234 [1,1,0,0,0,0|2,0,0]=4 300 B7R1.2 CC1=NC=C(S1)Br PI-44984 [1,1,0,0,0,0|1,1,0]=4 301 B7R1.2 CC1=NN=C(Br)O1 PI-39669 [1,1,0,0,0,0|2,0,0]=4 302 B7R1.2 CN1C=C(C=N1)Br PI-34811 [1,1,0,0,0,0|2,0,0]=4 303 B7R1.2 CN1C=C(C=N1)Cl PI-34753 [1,1,0,0,0,0|2,0,0]=4 304 B7R1.2 CN1C=C(C=N1)I PI-31346 [1,1,0,0,0,0|2,0,0]=4 305 B7R1.2 Cc1[nH][nH]c(=O)c1 PI-10806 [1,1,0,0,0,0|2,0,0]=4 306 B7R1.2 Cc1[nH]cc(c1)C PI-10987 [1,1,0,0,0,0|1,0,0]=3 307 B7R1.2 Cc1[nH]cc(n1)C PI-31821 [1,1,0,0,0,0|2,0,0]=4 308 B7R1.2 Cc1[nH]nc(C)c1 PI-31342 [1,1,0,0,0,0|2,0,0]=4 309 B7R1.2 Cc1ccc(s1)Cl PI-29205 [1,1,0,0,0,0|0,1,0]=3 310 B7R1.2 Cc1ccn(n1)C PI-37587 [1,1,0,0,0,0|2,0,0]=4 311 B7R1.2 Cc1cnc(s1)N PI-31294 [1,1,0,0,0,0|1,1,0]=4 312 B7R1.2 Cc1csc(n1)N PI-31078 [1,1,0,0,0,0|2,0,0]=4 313 B7R1.2 Cc1nnc(o1)N PI-38338 [1,1,0,0,0,0|2,0,0]=4 314 B7R1.2 Cc1noc(c1)N PI-30153 [1,1,0,0,0,0|2,0,0]=4 315 B7R1.2 Cc1nsc(N)c1 PI-25640 [1,1,0,0,0,0|2,0,0]=4 316 B7R1.2 Cc1scc(c1)C PI-29816 [1,1,0,0,0,0|0,1,0]=3 317 B7R1.2 Cn1ccc(I)n1 PI-37412 [1,1,0,0,0,0|2,0,0]=4 318 B7R1.2 Cn1ccc(n1)Br PI-38258 [1,1,0,0,0,0|2,0,0]=4 319 B7R1.2 Cn1ccc(n1)N PI-38170 [1,1,0,0,0,0|2,0,0]=4 320 B7R1.2 NC1=NC=C(C)N1 PI-40524 [1,1,0,0,0,0|2,0,0]=4 321 B7R1.2 Nc1noc(c1)C PI-33190 [1,1,0,0,0,0|1,0,0]=3 322 B7R1.2 O=C1C=CC(=O)N1 PI-29681 [1,1,0,0,0,0|1,0,1]=4 323 B7R1.2 O=C1OC=C(Br)O1 PI-38607 [1,1,0,0,0,0|1,0,1]=4 324 B7R1.2 O=C1OC=C(Cl)O1 PI-38606 [1,1,0,0,0,0|1,0,1]=4 325 B7R1.4 Brc1cscc1C PI-39112 [1,1,0,0,0,0|2,0,0]=4 326 B7R1.4 Brc1sccc1Br PI-11154 [1,1,0,0,0,0|1,1,0]=4 327 B7R1.4 C1=COC(=C1Br)Br PI-17204 [1,1,0,0,0,0|1,0,0]=3 328 B7R1.4 C1=CSC(=C1Br)Cl PI-11159 [1,1,0,0,0,0|1,1,0]=4 329 B7R1.4 CC1=C(Br)NC=N1 PI-39631 [1,1,0,0,0,0|2,0,0]=4 330 B7R1.4 CC1=C(OC=N1)C PI-35004 [1,1,0,0,0,0|1,0,0]=3 331 B7R1.4 CC1=C(SC=C1)Cl PI-10992 [1,1,0,0,0,0|1,1,0]=4 332 B7R1.4 CC1=C(SC=N1)Br PI-50077 [1,1,0,0,0,0|2,0,0]=4 333 B7R1.4 CC1=C(SC=N1)C PI-11140 [1,1,0,0,0,0|1,1,0]=4 334 B7R1.4 CC1=CCOC1=O PI-46986 [1,1,0,0,0,0|0,0,2]=4 335 B7R1.4 CC1=CNN=C1C PI-41141 [1,1,0,0,0,0|2,0,0]=4 336 B7R1.4 CC1=CSC=C1C PI-35053 [1,1,0,0,0,0|2,0,0]=4 337 B7R1.4 CC1=NC=CN1C PI-31811 [1,1,0,0,0,0|2,0,0]=4 338 B7R1.4 CC1=NNC=C1Br PI-13601 [1,1,0,0,0,0|2,0,0]=4 339 B7R1.4 CC1=NNC=C1I PI-33035 [1,1,0,0,0,0|2,0,0]=4 340 B7R1.4 Cc1ccsc1Br PI-10990 [1,1,0,0,0,0|1,1,0]=4 341 B7R1.4 Clc1sccc1Cl PI-26200 [1,1,0,0,0,0|1,1,0]=4 342 B7R1.4 Cn1nccc1C PI-37575 [1,1,0,0,0,0|2,0,0]=4 343 B7R1.4 Cn1nccc1N PI-28081 [1,1,0,0,0,0|2,0,0]=4 344 B7R1.4 Cn1nccc1O PI-37212 [1,1,0,0,0,0|2,0,0]=4 345 B7R1.4 Cn1sccc1=O PI-11861 [1,1,0,0,0,0|1,1,0]=4 346 B7R1.4 Oc1cscc1O PI-33661 [1,1,0,0,0,0|2,0,0]=4 347 B7R1.4 SC1=C(C)OC=C1 PI-14227 [1,1,0,0,0,0|0,0,0]=2 348 B9R1.1 BrCc1ccc(Br)cc1 PI-11967 [0,1,0,0,0,1|2,0,0]=4 349 B9R1.1 BrCc1ccc(Cl)cc1 PI-15674 [0,1,0,0,0,1|2,0,0]=4 350 B9R1.1 BrCc1ccc(I)cc1 PI-16508 [0,1,0,0,0,1|2,0,0]=4 351 B9R1.1 C1=C(C=NC(=N1)N)CO PI-45149 [0,1,0,0,0,1|2,0,0]=4 352 B9R1.1 C1=CC(=CC=C1CBr)F PI-12706 [0,1,0,0,0,1|2,0,0]=4 353 B9R1.1 C1=CC(=CC=C1CCl)Br PI-20545 [0,1,0,0,0,1|2,0,0]=4 354 B9R1.1 C1=CC(=CC=C1CN)Cl PI-11469 [0,1,0,0,0,1|2,0,0]=4 355 B9R1.1 C1=CC(=CC=C1CN)I PI-33700 [0,1,0,0,0,1|2,0,0]=4 356 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [0,1,0,0,0,1|2,0,0]=4 357 B9R1.1 C1=CC(=CC=C1CO)F PI-16874 [0,1,0,0,0,1|1,0,0]=3 358 B9R1.1 C1=CC(=CC=C1CO)N PI-11961 [0,1,0,0,0,1|1,0,0]=3 359 B9R1.1 C1=CC(=CC=C1CS)F PI-23496 [0,1,0,0,0,1|1,1,0]=4 360 B9R1.1 C1=CC(=NC=C1CBr)Br PI-50654 [0,1,0,0,0,1|2,0,0]=4 361 B9R1.1 C1=CC(=NC=C1CO)N PI-44054 [0,1,0,0,0,1|1,0,0]=3 362 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [0,1,0,0,0,1|2,0,0]=4 363 B9R1.1 CC1=CN=C(C=N1)CN PI-48153 [0,1,0,0,0,1|2,0,0]=4 364 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [0,1,0,0,0,1|2,0,0]=4 365 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [0,1,0,0,0,1|2,0,0]=4 366 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [0,1,0,0,0,1|2,0,0]=4 367 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [0,1,0,0,0,1|2,0,0]=4 368 B9R1.1 CCc1ccc(C)cc1 PI-36542 [0,1,0,0,0,1|2,0,0]=4 369 B9R1.1 ClCc1ccc(Cl)nc1 PI-10395 [0,1,0,0,0,1|2,0,0]=4 370 B9R1.1 ClCc1ccc(F)cc1 PI-31364 [0,1,0,0,0,1|2,0,0]=4 371 B9R1.1 NCc1ccc(F)cc1 PI-11985 [0,1,0,0,0,1|2,0,0]=4 372 B9R1.1 NCc1ccc(cc1)Br PI-20544 [0,1,0,0,0,1|2,0,0]=4 373 B9R1.1 NCc1ccc(cc1)Br PI-38542 [0,1,0,0,0,1|2,0,0]=4 374 B9R1.1 NCc1ccc(nc1)Cl PI-39010 [0,1,0,0,0,1|2,0,0]=4 375 B9R1.1 OCc1ccc(Cl)nc1 PI-16749 [0,1,0,0,0,1|1,0,0]=3 376 B9R1.1 OCc1ccc(S)cc1 PI-35674 [0,1,0,0,0,1|1,0,0]=3 377 B9R1.1 OCc1ccc(cc1)Cl PI-11977 [0,1,0,0,0,1|1,0,0]=3 378 B9R1.1 OCc1ccc(cc1)I PI-33685 [0,1,0,0,0,1|1,0,0]=3 379 B9R1.1 OCc1ccc(cc1)O PI-29788 [0,1,0,0,0,1|1,0,0]=3 380 B9R1.1 OCc1ccc(cn1)Br PI-10546 [0,1,0,0,0,1|1,0,0]=3 381 B9R1.1 OCc1cnc(cn1)Cl PI-39045 [0,1,0,0,0,1|1,0,0]=3 382 B9R1.1 OCc1cnc(nc1)C PI-32943 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.2 BrCc1cccc(I)c1 PI-29628 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.2 BrCc1cccc(c1)Br PI-13393 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.2 BrCc1cccc(c1)Cl PI-23167 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.2 C1=C(C=NC=C1Br)CO PI-47170 [0,1,0,0,0,1|1,0,0]=3 387 B9R1.2 C1=C(C=NC=C1Cl)CO PI-34717 [0,1,0,0,0,1|1,0,0]=3 388 B9R1.2 C1=CC(=CC(=C1)Br)CCl PI-35258 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.2 C1=CC(=CC(=C1)Br)CO PI-10954 [0,1,0,0,0,1|1,0,0]=3 390 B9R1.2 C1=CC(=CC(=C1)Cl)CCl PI-34222 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.2 C1=CC(=CC(=C1)F)CBr PI-13389 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.2 C1=CC(=CC(=C1)F)CCl PI-34129 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.2 C1=CC(=CC(=C1)F)CO PI-16873 [0,1,0,0,0,1|1,0,0]=3 394 B9R1.2 C1=CC(=CC(=C1)O)CBr PI-43991 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.2 C1=CC(=CC(=C1)O)CO PI-11929 [0,1,0,0,0,1|1,0,0]=3 396 B9R1.2 C1=CC(=NC(=C1)Br)CBr PI-34987 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.2 C1=CC(=NC(=C1)Br)CN PI-34988 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.2 C1=CC(=NC(=C1)Br)CO PI-11552 [0,1,0,0,0,1|1,0,0]=3 399 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35291 [0,1,0,0,0,1|1,0,0]=3 400 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35292 [0,1,0,0,0,1|1,0,0]=3 401 B9R1.2 C1=CN=C(C=C1CBr)Br PI-40971 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.2 C1=CN=C(C=C1CO)Br PI-27098 [0,1,0,0,0,1|1,0,0]=3 403 B9R1.2 C1=CN=C(C=C1CO)F PI-44971 [0,1,0,0,0,1|1,0,0]=3 404 B9R1.2 C1=CN=C(C=C1Cl)CO PI-34715 [0,1,0,0,0,1|1,0,0]=3 405 B9R1.2 CC1=CC(=CC=C1)CN PI-35861 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.2 CCC1=CC(=CC=C1)Br PI-21410 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.2 CCC1=CC(=NC=C1)Br PI-24478 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.2 CCC1=CC(=NC=N1)Cl PI-47323 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.2 CCc1cccc(N)n1 PI-30318 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.2 CCc1ccnc(c1)N PI-30483 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.2 NCc1cc(Br)ccn1 PI-39476 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.2 NCc1cccc(Cl)c1 PI-15673 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.2 NCc1cccc(c1)Br PI-21372 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.2 NCc1cccc(c1)Br PI-38545 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.2 NCc1cccc(c1)F PI-23480 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.2 OCC1=CC(C)=NC=C1 PI-36994 [0,1,0,0,0,1|1,0,0]=3 417 B9R1.2 OCC1=CC(N)=CN=C1 PI-35898 [0,1,0,0,0,1|1,0,0]=3 418 B9R1.2 OCc1cccc(c1)C PI-38620 [0,1,0,0,0,1|1,0,0]=3 419 B9R1.2 OCc1cccc(c1)Cl PI-11919 [0,1,0,0,0,1|1,0,0]=3 420 B9R1.2 SCc1cccc(F)c1 PI-23495 [0,1,0,0,0,1|1,1,0]=4 421 B9R1.6 B(C1=CN=CC=C1)(O)O PI-13311 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,1,0,0,0,1|1,0,1]=4 423 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [0,1,0,0,0,1|1,0,1]=4 424 B9R1.6 CC(C)c1ccncc1 PI-16693 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.6 CC(C1=NC=CN=C1)N PI-37121 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.6 CC(c1ccccn1)N PI-38576 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.6 CC(c1ccncc1)N PI-38572 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [0,1,0,0,0,1|1,0,0]=3 430 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [0,1,0,0,0,1|1,0,0]=3 431 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [0,1,0,0,0,1|1,0,0]=3 433 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [0,1,0,0,0,1|1,0,0]=3 435 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [0,1,0,0,0,1|1,0,0]=3 436 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [0,1,0,0,0,1|1,0,0]=3 438 B9R1.6 FC(c1ccccn1)F PI-35198 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [0,1,0,0,0,1|1,0,1]=4 440 B9R1.6 OB(C1=NC=NC=C1)O PI-39710 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.6 OB(O)c1ccccc1 PI-16480 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.6 OB(c1ccccn1)O PI-25302 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.6 OB(c1ccncc1)O PI-16484 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,1,0,0,0,1|1,0,1]=4 445 B9R1.6 OC(=O)c1ccncn1 PI-32629 [0,1,0,0,0,1|1,0,1]=4 446 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [0,1,0,0,0,1|1,0,0]=3 447 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [0,1,0,0,0,1|1,1,0]=4 448 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [0,1,0,0,0,1|1,0,0]=3 451 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.8 C1=CN=C(C=N1)CCS PI-48496 [0,1,0,0,0,1|1,1,0]=4 453 B9R1.8 C1=CN=C(N=C1)C=NO PI-32947 [0,1,0,0,0,1|1,0,1]=4 454 B9R1.8 C1=CN=CC=C1C=NO PI-41016 [0,1,0,0,0,1|1,0,1]=4 455 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.8 CCOC1=NC=CN=C1 PI-11039 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.8 COCC1=CC=CC=C1 PI-19695 [0,1,0,0,0,1|1,0,0]=3 463 B9R1.8 COCc1ccccn1 PI-38670 [0,1,0,0,0,1|1,0,0]=3 464 B9R1.8 N#CCc1ccccn1 PI-16690 [0,1,0,0,0,1|2,0,0]=4 465 B9R1.8 N#CCc1cccnc1 PI-32834 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.8 N#CCc1ccncc1 PI-10376 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.8 NCCc1cccnc1 PI-23439 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.8 NCCc1ccncc1 PI-15907 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.8 NOCc1ccccc1 PI-11329 [0,1,0,0,0,1|1,0,0]=3 470 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [0,1,0,0,0,1|1,0,0]=3 471 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [0,1,0,0,0,1|1,0,0]=3 472 B9R1.8 O\N=C\c1ccccn1 PI-38007 [0,1,0,0,0,1|1,0,1]=4 473 B9R1.15 BrCc1ccccc1Br PI-11809 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.15 BrCc1ccccc1I PI-29573 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.15 C1=CC(=C(N=C1)CBr)Br PI-47183 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.15 C1=CC(=C(N=C1)CN)F PI-49343 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.15 C1=CC(=C(N=C1)CO)Br PI-44198 [0,1,0,0,0,1|1,0,0]=3 478 B9R1.15 C1=CC(=C(N=C1)CO)O PI-16743 [0,1,0,0,0,1|1,0,0]=3 479 B9R1.15 C1=CC(=C(N=C1)Cl)CO PI-33153 [0,1,0,0,0,1|1,0,0]=3 480 B9R1.15 C1=CC=C(C(=C1)CBr)Cl PI-11821 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.15 C1=CC=C(C(=C1)CBr)F PI-28536 [0,1,0,0,0,1|2,0,0]=4 482 B9R1.15 C1=CC=C(C(=C1)CCl)F PI-34128 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.15 C1=CC=C(C(=C1)CN)Br PI-11810 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.15 C1=CC=C(C(=C1)CN)Cl PI-11822 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.15 C1=CC=C(C(=C1)CN)F PI-31326 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [0,1,0,0,0,1|1,0,0]=3 487 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [0,1,0,0,0,1|1,0,0]=3 488 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [0,1,0,0,0,1|1,0,0]=3 489 B9R1.15 C1=CC=C(C(=C1)CS)Br PI-20548 [0,1,0,0,0,1|1,1,0]=4 490 B9R1.15 C1=CC=C(C(=C1)CS)Cl PI-11007 [0,1,0,0,0,1|1,1,0]=4 491 B9R1.15 C1=CN=CC(=C1Cl)CO PI-34716 [0,1,0,0,0,1|1,0,0]=3 492 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.15 CCC1=CC=CC=C1I PI-19242 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.15 CCC1=NC=CN=C1C PI-11842 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.15 CCc1ccccc1C PI-36541 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.15 CCc1nccnc1C PI-11841 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.15 CCc1ncncc1F PI-15252 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.15 NCC1=NC=CN=C1Cl PI-42457 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.15 NCc1ccccc1Br PI-38543 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.15 NCc1ncccc1C PI-36263 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.15 OCc1ccccc1F PI-28537 [0,1,0,0,0,1|1,0,0]=3 503 B9R1.15 OCc1ccccc1O PI-36548 [0,1,0,0,0,1|1,0,0]=3 504 B9R1.15 OCc1cccnc1N PI-33953 [0,1,0,0,0,1|1,0,0]=3 505 B9R1.15 SCc1ccccc1F PI-23494 [0,1,0,0,0,1|1,1,0]=4 506 B9R1.7 C1=C(C=NN1CCO)Br PI-40536 [0,2,0,0,0,0|2,0,0]=4 507 B9R1.7 C1=C(SC(=C1)Br)C=NO PI-29348 [0,2,0,0,0,0|0,1,1]=4 508 B9R1.21 C1=C(OC(=C1)C=O)C=O PI-17242 [0,2,0,0,0,0|0,0,2]=4 509 B9R1.21 C1=C(OC(=C1)CO)CO PI-42477 [0,2,0,0,0,0|0,0,0]=2 510 B9R1.21 CCC1=CC=C(O1)C=O PI-17705 [0,2,0,0,0,0|1,0,0]=3 511 B9R1.22 CC1=C(OC(=O)O1)CCl PI-24629 [0,2,0,0,0,0|2,0,0]=4 512 B9R1.22 CC1=C(SC(=N1)C)CO PI-21996 [0,2,0,0,0,0|1,1,0]=4 513 B9R1.23 C1=C(OC(=C1Br)Br)C=O PI-10091 [0,2,0,0,0,0|0,0,2]=4 514 B9R1.35 B(C1=CC(=CS1)C)(O)O PI-25213 [0,2,0,0,0,0|1,1,0]=4 515 B9R1.35 B(C1=CC=C(O1)C)(O)O PI-18768 [0,2,0,0,0,0|1,0,0]=3 516 B9R1.35 B(C1=CC=C(S1)Br)(O)O PI-25214 [0,2,0,0,0,0|1,1,0]=4 517 B9R1.35 B(C1=CC=C(S1)C)(O)O PI-25216 [0,2,0,0,0,0|1,1,0]=4 518 B9R1.35 B(C1=CC=C(S1)Cl)(O)O PI-25215 [0,2,0,0,0,0|1,1,0]=4 519 B9R1.35 C1=C(OC(=C1)Br)C(=O)Cl PI-21496 [0,2,0,0,0,0|0,0,2]=4 520 B9R1.35 C1=C(OC(=C1)Br)C(=O)O PI-21497 [0,2,0,0,0,0|0,0,1]=3 521 B9R1.35 C1=C(OC(=C1)Br)[N+](=O)[O-] PI-17302 [0,2,0,0,0,0|1,0,1]=4 522 B9R1.35 C1=C(OC(=C1)N)C(=O)O PI-19351 [0,2,0,0,0,0|0,0,1]=3 523 B9R1.35 C1=C(SC(=C1)Br)C(=O)O PI-16448 [0,2,0,0,0,0|0,1,1]=4 524 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O PI-30361 [0,2,0,0,0,0|0,1,1]=4 525 B9R1.35 C1=C(SC=C1Br)C(F)F PI-21642 [0,2,0,0,0,0|1,1,0]=4 526 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [0,2,0,0,0,0|0,0,2]=4 527 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [0,2,0,0,0,0|0,0,1]=3 528 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [0,2,0,0,0,0|0,1,1]=4 529 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [0,2,0,0,0,0|0,1,1]=4 530 B9R1.35 OC(=O)C1=CC(Br)=CN1 PI-39658 [0,2,0,0,0,0|1,0,1]=4 531 B9R1.35 OC(=O)c1cc(Br)cs1 PI-29188 [0,2,0,0,0,0|0,1,1]=4 532 B9R1.35 OC(=O)c1cc(no1)Br PI-39414 [0,2,0,0,0,0|1,0,1]=4 533 B9R1.132 Cn1c(CO)cnc1N PI-39177 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.11 C1=COC(=C1)C(=NO)N PI-19376 [0,2,0,0,0,0|0,0,1]=3 535 B9R1.11 C1=CSC(=C1)C(=NO)N PI-29669 [0,2,0,0,0,0|0,1,1]=4 536 B9R1.11 C1=CSC(=C1)C(=O)CCl PI-29443 [0,2,0,0,0,0|1,1,0]=4 537 B9R1.11 CC(C1=CC=CO1)NO PI-19088 [0,2,0,0,0,0|0,0,0]=2 538 B9R1.11 CCC(=O)C1=CC=CS1 PI-32561 [0,2,0,0,0,0|1,1,0]=4 539 B9R1.11 CCC(=O)c1ccco1 PI-17052 [0,2,0,0,0,0|1,0,0]=3 540 B9R1.11 COC(=O)C1=CC=CO1 PI-13054 [0,2,0,0,0,0|0,0,1]=3 541 B9R1.11 COC(=O)c1cccs1 PI-30692 [0,2,0,0,0,0|0,1,1]=4 542 B9R1.11 NCC(c1ccco1)O PI-15941 [0,2,0,0,0,0|0,0,0]=2 543 B9R1.11 NNC(=O)c1ccco1 PI-28398 [0,2,0,0,0,0|0,0,2]=4 544 B9R1.11 O=C(C1=CC=CN1)OC PI-42625 [0,2,0,0,0,0|1,0,1]=4 545 B9R1.19 CC(C1=CC=CC1)(C)C PI-38470 [0,2,0,0,0,0|2,0,0]=4 546 B9R1.41 B(C1=C(C=CS1)Br)(O)O PI-29174 [0,2,0,0,0,0|1,1,0]=4 547 B9R1.41 B(C1=C(C=CS1)C)(O)O PI-25259 [0,2,0,0,0,0|1,1,0]=4 548 B9R1.41 C1=CSC(=C1Br)C(=O)O PI-22617 [0,2,0,0,0,0|0,1,1]=4 549 B9R1.41 C1=CSC(=C1Cl)C(=O)O PI-10801 [0,2,0,0,0,0|0,1,1]=4 550 B9R1.41 CC1=C(OC=C1)C(=O)O PI-17475 [0,2,0,0,0,0|0,0,1]=3 551 B9R1.41 CC1=C(SC=C1)C(=O)O PI-11161 [0,2,0,0,0,0|0,1,1]=4 552 B9R1.41 OC(=O)c1occc1Br PI-39205 [0,2,0,0,0,0|0,0,1]=3 553 B9R1.41 OC(=O)c1sccc1O PI-36902 [0,2,0,0,0,0|0,1,1]=4 554 B9R1.12 CCCCC1=CC=CS1 PI-44597 [0,2,0,0,0,0|1,1,0]=4 555 B9R1.13 C1=CN(N=C1)CC(=O)O PI-35655 [0,2,0,0,0,0|2,0,0]=4 556 B9R1.13 C1=COC=C1CC(=O)O PI-36295 [0,2,0,0,0,0|2,0,0]=4 557 B9R1.13 C1=CSC(=C1)CC(=O)Cl PI-11881 [0,2,0,0,0,0|0,1,1]=4 558 B9R1.13 CC(N)CC1=CC=CS1 PI-40008 [0,2,0,0,0,0|1,1,0]=4 559 B9R1.13 CC(N)Cc1ccco1 PI-36445 [0,2,0,0,0,0|1,0,0]=3 560 B9R1.13 OC(=O)CC1=CC=C[CH-]1 PI-40764 [0,2,0,0,0,0|1,0,0]=3 561 B9R1.13 OC(=O)Cc1c[nH]cn1 PI-21909 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.13 OC(=O)Cc1cccs1 PI-11148 [0,2,0,0,0,0|0,1,0]=3 563 B9R1.13 OC(=O)Cc1cscc1 PI-15240 [0,2,0,0,0,0|2,0,0]=4 564 B9R1.33 C1=C(N(N=C1)CCO)N PI-12190 [0,2,0,0,0,0|2,0,0]=4 565 B9R1.33 CCOc1ocnc1C PI-13057 [0,2,0,0,0,0|2,0,0]=4 566 B9R1.33 Cc1ncsc1CCO PI-15832 [0,2,0,0,0,0|1,1,0]=4 567 B7R1.3 C1=CC(=CN=C1)O PI-44714 [0,0,1,1,0,0|1,0,1]=4 568 B9R2.50 C1CC2=CC=CC=C21 PI-40928 [0,0,0,1,0,1|2,0,0]=4 569 B5R1.3 C1C(O1)CO PI-10360 [0,0,0,0,2,0|0,0,2]=4 570 B5R1.3 OC[C@H]1CO1 PI-10359 [0,0,0,0,2,0|0,0,2]=4