0 B7R1.1 BrCC1=CSC=C1 CDS022029 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.1 C#CC1=CC=CS1 CDS010938 [0,0,0,0,0,0|0,1,2]=3 2 B7R1.1 C#CC1=CC=NN1 CDS015894 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.1 CCC1=CNN=C1 CBR01738 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.1 CCC1C=CCC1 S416223 [0,0,0,0,0,0|1,0,2]=3 5 B7R1.1 COC1C=CCC1 S702501 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.1 CSC1=CC=CS1 R436550 [0,0,0,0,0,0|1,1,0]=2 7 B7R1.1 ClCC1=CN=CS1 CBR02473 [0,0,0,0,0,0|2,1,0]=3 8 B7R1.1 ClCC1=CNC=N1 CBR00821 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 ClCC1=CSC=N1 SYX00282 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.1 ClCC1=NC=CS1 CBR01833 [0,0,0,0,0,0|2,1,0]=3 11 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [0,0,0,0,0,0|2,1,0]=3 13 B7R1.1 Cl[Hg]C1=COC=C1 S814148 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.1 N#CC1=CN=CN1 CDS006565 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.1 NCC1=CN=CS1 CDS007657 [0,0,0,0,0,0|2,1,0]=3 16 B7R1.1 NCC1=COC=C1 CDS008929 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.1 NCC1=CSN=N1 CDS019170 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.1 NCC1=NC=CS1 CDS023086 [0,0,0,0,0,0|2,1,0]=3 19 B7R1.1 NCC1=NC=CS1 PHB00196 [0,0,0,0,0,0|2,1,0]=3 20 B7R1.1 NCC1=NOC=N1 CDS019857 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.1 O=CC1=CC=NN1 CDS003145 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.1 O=CC1=NNC=C1 CDS009918 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.1 O=CC1=NOC=C1 CDS009683 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.1 OCC1=CC=CN1 CDS009556 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.1 OCC1=CN=CS1 CDS004659 [0,0,0,0,0,0|2,1,0]=3 26 B7R1.1 OCC1=CNN=C1 CDS015812 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.1 OCC1=NOC=C1 PHB00207 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.1 SCC1=CC=CS1 CDS000069 [0,0,0,0,0,0|1,1,0]=2 29 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,0,0|1,0,0]=2 30 B6R1.2 BrC1=NOC=C1 CDS005417 [1,0,0,0,0,0|3,0,0]=4 31 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,0,0,0|2,0,0]=3 32 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,0,0|2,0,0]=3 33 B6R1.2 CC1=NC=CS1 CDS000301 [1,0,0,0,0,0|1,1,0]=3 34 B6R1.2 CC1=NNC=N1 CDS020176 [1,0,0,0,0,0|3,0,0]=4 35 B6R1.2 IC1=NNC=C1 BML00254 [1,0,0,0,0,0|3,0,0]=4 36 B6R1.2 N1C=CN=C1N CDS020502 [1,0,0,0,0,0|3,0,0]=4 37 B6R1.2 NC1=CN=CS1 CDS008189 [1,0,0,0,0,0|2,1,0]=4 38 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,0,0|3,0,0]=4 39 B6R1.2 NC1=NC=CS1 R646520 [1,0,0,0,0,0|2,1,0]=4 40 B6R1.2 NN1C=CC=C1 CDS000078 [1,0,0,0,0,0|3,0,0]=4 41 B6R1.2 O=C1CC=CC1 CDS003851 [1,0,0,0,0,0|2,0,1]=4 42 B6R1.2 O=C1NC=CN1 CBR02030 [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 OC1=NSC=C1 CDS008627 [1,0,0,0,0,0|3,0,0]=4 44 B6R1.2 S=C1NC=CS1 PH000321 [1,0,0,0,0,0|2,1,0]=4 45 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.1 CC1=CC(=NO1)CO L482684 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.1 CC1=CN=C(O1)CN CDS008557 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.1 CC1=CN=C(S1)CN CDS011809 [0,1,0,0,0,0|2,1,0]=4 49 B8R1.1 CC1=NC(=CO1)CO CBR02085 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.1 CC1=NC(=CS1)CN CBR00687 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.1 CC1=NN=C(O1)CCl CDS022277 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.1 CC1=NN=C(O1)CO CBR01937 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.1 CC1=NNC(=C1)CN CBR01017 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.1 CC1=NOC(=C1)C#N CBR00067 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.1 CC1=NOC(=C1)C=O CDS014208 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.1 CC1=NOC(=C1)CN CBR00041 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.1 CC1=NOC(=N1)CCl CDS019758 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.1 CC1=NOC(=N1)CN CDS010118 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.1 CCC1=CSC(=N1)N CBR01525 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.1 CCC1=CSC(=S)N1 PH006951 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.1 CCC1=NN=C(N1)S CDS017489 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.1 CCC1=NNC(=C1)N CDS019625 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.1 CCC1=NNC(=N1)N CBR00022 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.1 CCC1=NOC(=N1)O CBR01637 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.1 CCN1C=C(C=N1)Br CDS003673 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.1 CCN1C=NC(=N1)N CBR02286 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.1 CN1C=NC(=C1)CN CDS017640 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.1 CN1C=NC(=C1)CO CDS017610 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.1 CNC1=NC=C(S1)Br CBR01741 [0,1,0,0,0,0|2,1,0]=4 70 B8R1.1 COC1=CN=C(S1)N CDS021689 [0,1,0,0,0,0|2,1,0]=4 71 B8R1.1 COC1=NC(=CS1)Br SYX00375 [0,1,0,0,0,0|2,1,0]=4 72 B8R1.1 COC1=NC=C(S1)Br SYX00323 [0,1,0,0,0,0|2,1,0]=4 73 B8R1.1 CSC1=NC(=CS1)Br SYX00338 [0,1,0,0,0,0|2,1,0]=4 74 B8R1.1 ClCC1=CSC(=N1)Cl SYX00330 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.1 Cl[Hg]C1=CC=C(O1)Cl S814490 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.1 N#CC1=CC(=CN1)Br CBR01780 [0,1,0,0,0,0|2,0,1]=4 77 B8R1.1 N#CC1=CC(=CS1)Br CDS003609 [0,1,0,0,0,0|1,1,1]=4 78 B8R1.1 NCC1=CC=C(S1)Br CDS007961 [0,1,0,0,0,0|1,1,0]=3 79 B8R1.1 NCC1=CC=C(S1)Cl CDS013426 [0,1,0,0,0,0|1,1,0]=3 80 B8R1.1 OCC1=CC(=CS1)Br CDS016046 [0,1,0,0,0,0|1,1,0]=3 81 B8R1.1 OCC1=CC=C(S1)F PHB00247 [0,1,0,0,0,0|1,1,0]=3 82 B8R1.1 OCC1=CN=C(S1)Br SYX00336 [0,1,0,0,0,0|2,1,0]=4 83 B8R1.1 OCC1=CN=C(S1)Cl CDS013997 [0,1,0,0,0,0|2,1,0]=4 84 B8R1.1 OCC1=CSC(=N1)Br SYX00394 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,1,0,0,0,0|2,0,1]=4 86 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [0,1,0,0,0,0|2,0,1]=4 87 B8R1.7 CC(C)C1=CNN=C1 CBR01677 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,1,0,0,0,0|0,1,0]=2 89 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,1,0,0,0,0|0,1,0]=2 90 B8R1.7 CC(N)C1=CCCO1 PH018924 [0,1,0,0,0,0|0,0,2]=3 91 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.7 CC(N)C1=NOC=C1 CDS017372 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [0,1,0,0,0,0|1,0,1]=3 94 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [0,1,0,0,0,0|2,0,1]=4 95 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [0,1,0,0,0,0|1,0,1]=3 97 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [0,1,0,0,0,0|1,1,1]=4 98 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,1,0,0,0,0|1,0,1]=3 99 B8R1.8 BrCCN1C=CC=N1 CDS002854 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.8 CCCC1=NCCO1 S396397 [0,1,0,0,0,0|1,0,2]=4 101 B8R1.8 CCCC1C=CCC1 R289795 [0,1,0,0,0,0|1,0,2]=4 102 B8R1.8 CCCN1C=CC=C1 PH010280 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.8 CCNC1=NN=CS1 PH014535 [0,1,0,0,0,0|2,1,0]=4 104 B8R1.8 CNCC1=CC=CS1 CDS004831 [0,1,0,0,0,0|0,1,0]=2 105 B8R1.8 CNCC1=CC=CS1 PH012021 [0,1,0,0,0,0|0,1,0]=2 106 B8R1.8 CNCC1=CSC=C1 PH015792 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.8 CNCC1=NC=CN1 CBR00689 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.8 ClCCC1=CNN=C1 CBR00809 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.8 ClCCN1C=CC=N1 CDS015079 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.8 N#CCC1=CC=CO1 JRD0290 [0,1,0,0,0,0|0,0,1]=2 111 B8R1.8 N#C[Hg]C1=CC=CO1 S815810 [0,1,0,0,0,0|1,0,1]=3 112 B8R1.8 NCCC1=CC=CO1 CBR02448 [0,1,0,0,0,0|0,0,0]=1 113 B8R1.8 NCCN1C=CC=N1 CDS008012 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.8 NNCC1=CC=CS1 CBR01534 [0,1,0,0,0,0|1,1,0]=3 115 B8R1.8 OCCN1C=CC=C1 CDS000018 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.8 OCCN1C=CC=N1 CDS004224 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.8 OCCN1C=CN=N1 CDS008475 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.8 ON=CC1=CC=CS1 S551848 [0,1,0,0,0,0|1,1,1]=4 119 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [0,1,0,0,0,0|2,0,1]=4 120 B8R1.11 CC1=C(C=CO1)CN CDS019848 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.11 CC1=C(NC=N1)CN CBR01683 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [0,1,0,0,0,0|1,0,1]=3 123 B8R1.11 CC1=C(SC=C1)CN CDS015230 [0,1,0,0,0,0|1,1,0]=3 124 B8R1.11 CCN1C=CN=C1Br CBR01693 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.11 CCN1N=CN=C1Br CBR01775 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.11 CCN1N=CN=C1N CBR00782 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.11 CN1C=CN=C1CN CDS002678 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.11 CN1C=CN=C1CO CDS014909 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.11 CN1N=CC=C1CBr CDS023901 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [0,1,0,0,0,0|1,0,1]=3 131 B8R1.52 CC1(C=CC=C1)CO T236756 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.1 C/C=C/[C@H](C)CC R289493 [0,0,1,0,0,0|1,0,2]=4 133 B6R0.1 C/C=C\C(C)CC R289485 [0,0,1,0,0,0|1,0,2]=4 134 B6R0.1 CC/C=C(\C)/CC R289574 [0,0,1,0,0,0|1,0,2]=4 135 B6R0.1 CC/C=C(\C)/CC R289582 [0,0,1,0,0,0|1,0,2]=4 136 B6R0.1 CCC(=O)OCS PH000959 [0,0,1,0,0,0|2,0,1]=4 137 B6R0.1 COC(=O)/C=C\I SYX00331 [0,0,1,0,0,0|2,0,1]=4 138 B6R0.6 C=CCSCCC S357391 [0,0,1,0,0,0|0,1,2]=4 139 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [0,0,0,0,0,1|3,0,0]=4 140 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [0,0,0,0,0,1|1,0,2]=4 141 B8R1.2 C1(C=CCC=C1)CO T175528 [0,0,0,0,0,1|2,0,1]=4 142 B8R1.2 C=CC1=CC=CC=C1 S460680 [0,0,0,0,0,1|1,0,2]=4 143 B8R1.2 C=CC1=CC=CC=C1 S461830 [0,0,0,0,0,1|1,0,2]=4 144 B8R1.2 C=CC1=CC=CC=C1 S462152 [0,0,0,0,0,1|1,0,2]=4 145 B8R1.2 CCC1=NOCCO1 PH016313 [0,0,0,0,0,1|1,0,2]=4 146 B8R1.2 COC1=NC=CC=N1 CDS005079 [0,0,0,0,0,1|2,0,0]=3 147 B8R1.2 CSC1=NC=CC=N1 SYX00290 [0,0,0,0,0,1|2,0,0]=3 148 B8R1.2 CSC1=NC=CN=N1 SYX00362 [0,0,0,0,0,1|3,0,0]=4 149 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [0,0,0,0,0,1|3,0,0]=4 150 B8R1.2 NCC1=CC=CC=C1 S696684 [0,0,0,0,0,1|2,0,0]=3 151 B8R1.2 NCC1=CN=CC=C1 S763780 [0,0,0,0,0,1|2,0,0]=3 152 B8R1.2 NCC1=CN=CC=N1 CDS009594 [0,0,0,0,0,1|2,0,0]=3 153 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [0,0,0,0,0,1|2,0,1]=4 154 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [0,0,0,0,0,1|3,0,0]=4 155 B8R1.2 OCC1=CC=CN=N1 CDS015970 [0,0,0,0,0,1|2,0,0]=3 156 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [0,0,0,0,0,1|3,0,0]=4 157 B5R0.1 C=COC(=O)C S458201 [1,0,1,0,0,0|1,0,0]=3 158 B5R0.1 CC(=O)/C=C\N S312274 [1,0,1,0,0,0|1,0,1]=4 159 B5R0.1 O=C(O)/C=C/Cl R426903 [1,0,1,0,0,0|2,0,0]=4 160 B5R0.1 O=C(O)/C=C\I PH010791 [1,0,1,0,0,0|2,0,0]=4 161 B5R0.2 C=CCNCC PH014544 [1,0,1,0,0,0|1,0,1]=4 162 B5R0.2 C=CCSCC S620327 [1,0,1,0,0,0|0,1,1]=4 163 B5R0.2 CCC/C=N/O S429139 [1,0,1,0,0,0|1,0,1]=4 164 B5R0.2 OC/C=C/CO PH000110 [1,0,1,0,0,0|1,0,1]=4 165 B5R0.3 C=CC(O)CBr TMT00686 [1,0,1,0,0,0|1,0,1]=4 166 B7R0.3 C=CCCC(O)CC PH011335 [0,1,1,0,0,0|0,0,2]=4 167 B7R0.3 C=CCOC(=O)CBr PH008698 [0,1,1,0,0,0|2,0,0]=4 168 B7R0.7 C/C=C/C(O)CCC S417386 [0,1,1,0,0,0|0,0,2]=4 169 B7R0.7 C=CCC(O)CCC S350389 [0,1,1,0,0,0|0,0,2]=4 170 B7R0.11 C=CCC(C)(O)CC S411957 [0,1,1,0,0,0|0,0,2]=4 171 B7R0.4 C/C=C/C=C\C(C)O T211419 [0,1,1,0,0,0|1,0,0]=3 172 B7R0.4 CCC/C=C/C(=O)C CDS001219 [0,1,1,0,0,0|0,0,2]=4 173 B7R0.4 CCC/C=C/C(=O)N PH008310 [0,1,1,0,0,0|0,0,2]=4 174 B7R0.4 CCO/C=C/C(=O)O CDS016341 [0,1,1,0,0,0|1,0,0]=3 175 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [1,1,0,0,0,0|1,0,0]=3 176 B7R1.2 BrC1=COC(=C1)Br T266507 [1,1,0,0,0,0|1,0,0]=3 177 B7R1.2 CC1=CSC(=N1)Br CDS007616 [1,1,0,0,0,0|2,0,0]=4 178 B7R1.2 CC1=CSC(=N1)N S366536 [1,1,0,0,0,0|2,0,0]=4 179 B7R1.2 CC1=NC(=NO1)N CBR00048 [1,1,0,0,0,0|2,0,0]=4 180 B7R1.2 CC1=NC=C(N1)I ANV00066 [1,1,0,0,0,0|2,0,0]=4 181 B7R1.2 CC1=NN=C(O1)N PH010741 [1,1,0,0,0,0|2,0,0]=4 182 B7R1.2 CC1=NNC(=C1)N CDS004036 [1,1,0,0,0,0|2,0,0]=4 183 B7R1.2 CC1=NOC(=N1)C PH016136 [1,1,0,0,0,0|2,0,0]=4 184 B7R1.2 CN1C=C(C=N1)N CDS019978 [1,1,0,0,0,0|2,0,0]=4 185 B7R1.2 CN1C=CC(=N1)Br SYX00074 [1,1,0,0,0,0|2,0,0]=4 186 B7R1.2 CN1C=CC(=N1)N CDS013782 [1,1,0,0,0,0|2,0,0]=4 187 B7R1.2 NC1=CC(=NO1)N CBR01619 [1,1,0,0,0,0|2,0,0]=4 188 B7R1.2 O=C1C=C(CO1)Br SYX00384 [1,1,0,0,0,0|1,0,1]=4 189 B7R1.2 O=C1C=CC(=O)O1 S453374 [1,1,0,0,0,0|1,0,0]=3 190 B7R1.4 CC1=C(C=NN1)N CBR02396 [1,1,0,0,0,0|2,0,0]=4 191 B7R1.4 CC1=C(C=NO1)I CDS015521 [1,1,0,0,0,0|1,0,0]=3 192 B7R1.4 CC1=C(N=CN1)Br CDS022318 [1,1,0,0,0,0|2,0,0]=4 193 B7R1.4 CC1=NNC=C1I BML00217 [1,1,0,0,0,0|2,0,0]=4 194 B7R1.4 CN1N=CC=C1Br CBR02073 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.1 CC1=CC=C(C=C1)CS S369497 [0,1,0,0,0,1|2,0,0]=4 196 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [0,1,0,0,0,1|2,0,0]=4 197 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [0,1,0,0,0,1|1,0,0]=3 198 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [0,1,0,0,0,1|2,0,0]=4 199 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [0,1,0,0,0,1|2,0,0]=4 200 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [0,1,0,0,0,1|2,0,0]=4 201 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [0,1,0,0,0,1|2,0,0]=4 202 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [0,1,0,0,0,1|2,0,0]=4 203 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [0,1,0,0,0,1|2,0,0]=4 204 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [0,1,0,0,0,1|2,0,0]=4 205 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [0,1,0,0,0,1|2,0,0]=4 206 B9R1.1 CSC1=CC=C(C=C1)N S418595 [0,1,0,0,0,1|2,0,0]=4 207 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [0,1,0,0,0,1|2,0,0]=4 208 B9R1.1 CSC1=NC=C(C=N1)O S217581 [0,1,0,0,0,1|2,0,0]=4 209 B9R1.1 CSC1=NN=C(C=C1)Cl L163783 [0,1,0,0,0,1|2,0,0]=4 210 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [0,1,0,0,0,1|2,0,0]=4 211 B9R1.1 NCC1=CC=C(C=C1)F R750263 [0,1,0,0,0,1|2,0,0]=4 212 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [0,1,0,0,0,1|2,0,0]=4 213 B9R1.1 NCC1=NC=C(N=C1)Cl CDS021292 [0,1,0,0,0,1|2,0,0]=4 214 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [0,1,0,0,0,1|2,0,0]=4 215 B9R1.2 CC1=CC(=CC=N1)CO L499730 [0,1,0,0,0,1|2,0,0]=4 216 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [0,1,0,0,0,1|2,0,0]=4 217 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [0,1,0,0,0,1|2,0,0]=4 218 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [0,1,0,0,0,1|2,0,0]=4 219 B9R1.2 CC1=CC=NC(=N1)CN CBR01839 [0,1,0,0,0,1|2,0,0]=4 220 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [0,1,0,0,0,1|2,0,0]=4 221 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [0,1,0,0,0,1|2,0,0]=4 222 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [0,1,0,0,0,1|1,0,0]=3 223 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [0,1,0,0,0,1|1,0,0]=3 224 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [0,1,0,0,0,1|1,0,0]=3 225 B9R1.2 CCC1=NC(=CC=C1)C S580031 [0,1,0,0,0,1|1,0,0]=3 226 B9R1.2 CNC1=CC(=CC=C1)N S604097 [0,1,0,0,0,1|2,0,0]=4 227 B9R1.2 COC1=CC(=NC=N1)I SYX00370 [0,1,0,0,0,1|2,0,0]=4 228 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [0,1,0,0,0,1|2,0,0]=4 229 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [0,1,0,0,0,1|2,0,0]=4 230 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [0,1,0,0,0,1|2,0,0]=4 231 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [0,1,0,0,0,1|2,0,0]=4 232 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [0,1,0,0,0,1|2,0,0]=4 233 B9R1.2 COC1=CN=CC(=N1)Cl SYX00288 [0,1,0,0,0,1|2,0,0]=4 234 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [0,1,0,0,0,1|2,0,0]=4 235 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [0,1,0,0,0,1|2,0,0]=4 236 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [0,1,0,0,0,1|2,0,0]=4 237 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [0,1,0,0,0,1|2,0,0]=4 238 B9R1.2 CSC1=NC(=CC=N1)I SYX00298 [0,1,0,0,0,1|2,0,0]=4 239 B9R1.2 CSC1=NC=CC(=N1)N ANV00048 [0,1,0,0,0,1|2,0,0]=4 240 B9R1.2 CSC1=NC=CC(=N1)O S217336 [0,1,0,0,0,1|2,0,0]=4 241 B9R1.2 CSC1=NC=CC(=N1)O S440043 [0,1,0,0,0,1|2,0,0]=4 242 B9R1.2 CSC1=NC=NC(=C1)Cl SYX00015 [0,1,0,0,0,1|2,0,0]=4 243 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [0,1,0,0,0,1|2,0,0]=4 244 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [0,1,0,0,0,1|2,0,0]=4 245 B9R1.2 NCC1=CC(=NC=N1)O CBR02401 [0,1,0,0,0,1|2,0,0]=4 246 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [0,1,0,0,0,1|2,0,0]=4 247 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [0,1,0,0,0,1|2,0,0]=4 248 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [0,1,0,0,0,1|2,0,0]=4 249 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [0,1,0,0,0,1|2,0,0]=4 250 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [0,1,0,0,0,1|2,0,0]=4 251 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [0,1,0,0,0,1|2,0,0]=4 252 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [0,1,0,0,0,1|2,0,0]=4 253 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [0,1,0,0,0,1|2,0,0]=4 254 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [0,1,0,0,0,1|2,0,0]=4 255 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [0,1,0,0,0,1|1,0,0]=3 256 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [0,1,0,0,0,1|1,0,0]=3 257 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,1,0,0,0,1|1,0,0]=3 258 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,1,0,0,0,1|1,0,0]=3 259 B9R1.6 CC(O)C1=CCCCO1 T242993 [0,1,0,0,0,1|0,0,2]=4 260 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,1,0,0,0,1|1,0,0]=3 261 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,1,0,0,0,1|2,0,0]=4 262 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,1,0,0,0,1|2,0,0]=4 263 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [0,1,0,0,0,1|1,0,0]=3 264 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [0,1,0,0,0,1|1,0,1]=4 265 B9R1.8 CCCC1=CC=NC=C1 S573086 [0,1,0,0,0,1|1,0,0]=3 266 B9R1.8 CCOC1=CC=CC=N1 S442267 [0,1,0,0,0,1|1,0,0]=3 267 B9R1.8 CNCC1=NC=NC=C1 PH017743 [0,1,0,0,0,1|1,0,0]=3 268 B9R1.8 CNCC1=NC=NC=C1 PH019105 [0,1,0,0,0,1|1,0,0]=3 269 B9R1.8 CNNC1=CC=CC=C1 PH012261 [0,1,0,0,0,1|2,0,0]=4 270 B9R1.8 COCC1=CC=CC=N1 S363146 [0,1,0,0,0,1|1,0,0]=3 271 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [0,1,0,0,0,1|2,0,0]=4 272 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [0,1,0,0,0,1|2,0,0]=4 273 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [0,1,0,0,0,1|1,0,0]=3 274 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [0,1,0,0,0,1|1,0,0]=3 275 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [0,1,0,0,0,1|2,0,0]=4 276 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [0,1,0,0,0,1|1,0,0]=3 277 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [0,1,0,0,0,1|2,0,0]=4 278 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [0,1,0,0,0,1|1,0,0]=3 279 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [0,1,0,0,0,1|1,0,0]=3 280 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [0,1,0,0,0,1|1,0,0]=3 281 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [0,1,0,0,0,1|1,0,1]=4 282 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [0,1,0,0,0,1|1,0,1]=4 283 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [0,1,0,0,0,1|2,0,0]=4 284 B9R1.15 CC1=CC=CN=C1CN CDS004048 [0,1,0,0,0,1|2,0,0]=4 285 B9R1.15 CC1=CC=NC=C1CN CDS013951 [0,1,0,0,0,1|2,0,0]=4 286 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [0,1,0,0,0,1|2,0,0]=4 287 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [0,1,0,0,0,1|2,0,0]=4 288 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [0,1,0,0,0,1|1,0,0]=3 289 B9R1.15 CCN1C=CC=CC1=O S683159 [0,1,0,0,0,1|2,0,0]=4 290 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [0,1,0,0,0,1|2,0,0]=4 291 B9R1.15 CC[N+]1=C(N=CC=C1)N S140686 [0,1,0,0,0,1|2,0,0]=4 292 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [0,1,0,0,0,1|2,0,0]=4 293 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [0,1,0,0,0,1|2,0,0]=4 294 B9R1.15 CNC1=NC=CC=C1Cl T169315 [0,1,0,0,0,1|2,0,0]=4 295 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [0,1,0,0,0,1|2,0,0]=4 296 B9R1.15 COC1=C(CC=CC1)C S864811 [0,1,0,0,0,1|2,0,0]=4 297 B9R1.15 COC1=CC=CC=C1N CDS000192 [0,1,0,0,0,1|2,0,0]=4 298 B9R1.15 COC1=CC=NC=C1Br CDS007984 [0,1,0,0,0,1|2,0,0]=4 299 B9R1.15 COC1=NC=CC=C1N CDS002836 [0,1,0,0,0,1|2,0,0]=4 300 B9R1.15 COC1=NC=CN=C1I SYX00132 [0,1,0,0,0,1|2,0,0]=4 301 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [0,1,0,0,0,1|2,0,0]=4 302 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [0,1,0,0,0,1|2,0,0]=4 303 B9R1.15 NC1=CC=NC=C1CO ADE000311 [0,1,0,0,0,1|2,0,0]=4 304 B9R1.15 NC1=NC=CC=C1CO ADE000265 [0,1,0,0,0,1|2,0,0]=4 305 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [0,1,0,0,0,1|2,0,0]=4 306 B9R1.15 NCC1=CC=CC=C1Br T151114 [0,1,0,0,0,1|2,0,0]=4 307 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [0,1,0,0,0,1|2,0,0]=4 308 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [0,1,0,0,0,1|2,0,0]=4 309 B9R1.15 OCC1=CC=CC=N1O S459240 [0,1,0,0,0,1|2,0,0]=4 310 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [0,1,0,0,0,1|2,0,0]=4 311 B9R1.15 OCC1=NC=CC=C1O R578177 [0,1,0,0,0,1|2,0,0]=4 312 B9R1.7 CC1=CNC(=N1)CCN PH019292 [0,2,0,0,0,0|2,0,0]=4 313 B9R1.7 CC1=CSC(=N1)CCN OTV000992 [0,2,0,0,0,0|1,1,0]=4 314 B9R1.7 CC1=NC(=CS1)CCCl CBR02382 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.7 CC1=NN(C=C1)CCCl CBR00194 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.7 CC1=NN(C=C1)CCO CBR00079 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.7 CCCC1=CC=C(O1)C L159743 [0,2,0,0,0,0|0,0,0]=2 318 B9R1.7 CCCC1=NC=C(N1)Br CBR01481 [0,2,0,0,0,0|2,0,0]=4 319 B9R1.7 CCCC1=NN=C(O1)N CBR01390 [0,2,0,0,0,0|2,0,0]=4 320 B9R1.7 CCCN1C=C(C=N1)Br CDS023255 [0,2,0,0,0,0|2,0,0]=4 321 B9R1.7 CCCN1C=C(C=N1)N CBR01342 [0,2,0,0,0,0|2,0,0]=4 322 B9R1.7 CCOC1=CC(=NN1)C CBR00897 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.7 CNCC1=CC=C(O1)C CDS003835 [0,2,0,0,0,0|0,0,0]=2 324 B9R1.7 CNCC1=NC(=CN1)C CBR00691 [0,2,0,0,0,0|2,0,0]=4 325 B9R1.7 CNCC1=NC(=CN1)C PH019204 [0,2,0,0,0,0|2,0,0]=4 326 B9R1.7 CNCC1=NC(=CS1)C CBR00972 [0,2,0,0,0,0|1,1,0]=4 327 B9R1.7 CNCC1=NC(=NO1)C CBR01478 [0,2,0,0,0,0|2,0,0]=4 328 B9R1.7 CNCC1=NC=C(S1)C CDS011823 [0,2,0,0,0,0|1,1,0]=4 329 B9R1.7 CNCC1=NOC(=C1)C CDS006620 [0,2,0,0,0,0|2,0,0]=4 330 B9R1.7 ClC1=CN(N=C1)CCBr CBR01296 [0,2,0,0,0,0|2,0,0]=4 331 B9R1.7 N#CCC1=CC(=CS1)Br CDS003130 [0,2,0,0,0,0|0,1,1]=4 332 B9R1.7 NCCN1C=C(C=N1)Cl CBR00104 [0,2,0,0,0,0|2,0,0]=4 333 B9R1.7 OCCC1=CC(=NO1)Br SYX00381 [0,2,0,0,0,0|1,0,0]=3 334 B9R1.7 OCCN1C=C(C=N1)Br TMT00437 [0,2,0,0,0,0|2,0,0]=4 335 B9R1.21 CCC1=CSC(=N1)CN CBR00967 [0,2,0,0,0,0|2,0,0]=4 336 B9R1.21 CCC1=CSC(=N1)CN PH019331 [0,2,0,0,0,0|2,0,0]=4 337 B9R1.21 CCC1=NC(=CN1)C=O PH017761 [0,2,0,0,0,0|2,0,0]=4 338 B9R1.21 CCC1=NC(=CS1)CN CBR00988 [0,2,0,0,0,0|1,1,0]=4 339 B9R1.21 CCC1=NC(=NO1)CBr CDS024563 [0,2,0,0,0,0|2,0,0]=4 340 B9R1.21 CCC1=NC(=NO1)CN CBR01557 [0,2,0,0,0,0|2,0,0]=4 341 B9R1.21 CCC1=NOC(=C1)CO CBR01658 [0,2,0,0,0,0|2,0,0]=4 342 B9R1.21 CCN1C=C(C=N1)C#N CBR01588 [0,2,0,0,0,0|2,0,0]=4 343 B9R1.21 CCN1C=C(C=N1)CCl CBR01698 [0,2,0,0,0,0|2,0,0]=4 344 B9R1.21 CCN1C=CC(=N1)CCl CBR02427 [0,2,0,0,0,0|2,0,0]=4 345 B9R1.21 CSC1=CC=C(S1)C=O CDS013663 [0,2,0,0,0,0|1,1,0]=4 346 B9R1.21 Cl[Hg]C1=CC=C(O1)[Hg]Cl S813184 [0,2,0,0,0,0|2,0,0]=4 347 B9R1.21 N#CC1=CC=C(S1)CN CDS018039 [0,2,0,0,0,0|1,1,0]=4 348 B9R1.21 N#CC1=CC=C(S1)CN CDS021014 [0,2,0,0,0,0|1,1,0]=4 349 B9R1.21 N1C(=CC=C1CC)C=O CBR01642 [0,2,0,0,0,0|1,0,0]=3 350 B9R1.21 OCC1=CC=C(N1)CO L165034 [0,2,0,0,0,0|2,0,0]=4 351 B9R1.22 CC1=NC(=C(O1)CO)C CBR01508 [0,2,0,0,0,0|2,0,0]=4 352 B9R1.22 CCC1=C(N=C(N1)N)C PH017331 [0,2,0,0,0,0|2,0,0]=4 353 B9R1.22 CCC1=C(SC(=N1)N)C CBR01270 [0,2,0,0,0,0|2,0,0]=4 354 B9R1.22 CCC1=NN(C=C1Br)C CBR02192 [0,2,0,0,0,0|2,0,0]=4 355 B9R1.22 CCN1N=C(C=C1C)N CBR00033 [0,2,0,0,0,0|2,0,0]=4 356 B9R1.23 CC1=C(OC(=N1)CN)C CDS019139 [0,2,0,0,0,0|2,0,0]=4 357 B9R1.23 CCC1=NC(=C(O1)C)C CDS000714 [0,2,0,0,0,0|1,0,0]=3 358 B9R1.23 CCN1C=C(C(=N1)C)N CBR01279 [0,2,0,0,0,0|2,0,0]=4 359 B9R1.23 Cl[Hg]C1=CC(=C(O1)Br)Br S820008 [0,2,0,0,0,0|2,0,0]=4 360 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,2,0,0,0,0|0,1,1]=4 361 B9R1.35 CC(=O)C1=CN=C(O1)N CBR01750 [0,2,0,0,0,0|1,0,1]=4 362 B9R1.35 CC(C)C1=CSC(=N1)N T322725 [0,2,0,0,0,0|2,0,0]=4 363 B9R1.35 CC(C)C1=NN=C(O1)N CBR01453 [0,2,0,0,0,0|2,0,0]=4 364 B9R1.35 CC(C)N1C=C(C=N1)I BML00244 [0,2,0,0,0,0|2,0,0]=4 365 B9R1.35 CC(N)C1=CC=C(S1)Cl PH013644 [0,2,0,0,0,0|0,1,0]=3 366 B9R1.35 CC(O)C1=CSC(=C1)Cl PHB00211 [0,2,0,0,0,0|2,0,0]=4 367 B9R1.35 CC1=CC=C(O1)B(O)O CDS019945 [0,2,0,0,0,0|2,0,0]=4 368 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,2,0,0,0,0|1,0,1]=4 369 B9R1.35 CC1=CC=C(O1)[N+](=O)[O-] R397482 [0,2,0,0,0,0|2,0,0]=4 370 B9R1.35 CC1=CC=C(S1)C(C)N CDS012543 [0,2,0,0,0,0|0,1,0]=3 371 B9R1.35 CC1=CNC(=N1)C(C)N CBR02459 [0,2,0,0,0,0|2,0,0]=4 372 B9R1.35 CC1=CSC(=N1)C(C)N CBR00036 [0,2,0,0,0,0|1,1,0]=4 373 B9R1.35 CC1=NC(=CS1)C(C)N CBR00686 [0,2,0,0,0,0|2,0,0]=4 374 B9R1.35 CC1=NOC(=N1)C(C)N CBR02329 [0,2,0,0,0,0|2,0,0]=4 375 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,2,0,0,0,0|1,0,1]=4 376 B9R1.132 CCC1=NNC(=C1C)N CBR00790 [0,2,0,0,0,0|2,0,0]=4 377 B9R1.132 CCC1=NOC(=C1C)N CBR00451 [0,2,0,0,0,0|2,0,0]=4 378 B9R1.132 CCN1N=CC(=C1C)N CBR02391 [0,2,0,0,0,0|2,0,0]=4 379 B9R1.132 CCN1N=CC(=C1N)C CBR01381 [0,2,0,0,0,0|2,0,0]=4 380 B9R1.11 C/C(=N/O)/C1=CC=CO1 S602906 [0,2,0,0,0,0|0,0,1]=3 381 B9R1.11 C/C(=N\N)/C1=CC=CS1 L164542 [0,2,0,0,0,0|0,1,1]=4 382 B9R1.11 C/C(=N\O)/C1=CC=CN1 L166960 [0,2,0,0,0,0|1,0,1]=4 383 B9R1.11 CC(NO)C1=CC=CO1 CVT00078 [0,2,0,0,0,0|0,0,0]=2 384 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [0,2,0,0,0,0|1,0,0]=3 385 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,2,0,0,0,0|0,0,0]=2 386 B9R1.11 CCC(N)C1=CC=CS1 T326984 [0,2,0,0,0,0|0,1,0]=3 387 B9R1.11 CCC(N)C1=NC=CS1 CBR00629 [0,2,0,0,0,0|1,1,0]=4 388 B9R1.11 CNC(C)C1=CC=CS1 CBR01263 [0,2,0,0,0,0|0,1,0]=3 389 B9R1.11 OC[C@H](O)C1=COC=C1 T279072 [0,2,0,0,0,0|2,0,0]=4 390 B9R1.19 CC(C)(C)C1=CC=NN1 S940496 [0,2,0,0,0,0|2,0,0]=4 391 B9R1.19 CC(C)(C)C1=CC=NO1 S952605 [0,2,0,0,0,0|1,0,0]=3 392 B9R1.19 CC(C)(C)C1=CNC=N1 CBR01595 [0,2,0,0,0,0|2,0,0]=4 393 B9R1.19 CC(C)(C)C1=NNC=C1 SYX00373 [0,2,0,0,0,0|2,0,0]=4 394 B9R1.41 CC(C)C1=C(C=NN1)Br CBR02090 [0,2,0,0,0,0|2,0,0]=4 395 B9R1.41 CC(C)N1N=CC=C1Br CBR01598 [0,2,0,0,0,0|2,0,0]=4 396 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,2,0,0,0,0|1,0,1]=4 397 B9R1.12 CCCCC1=CC=CO1 CDS001204 [0,2,0,0,0,0|0,0,0]=2 398 B9R1.12 CCCCC1=CC=CS1 CDS001487 [0,2,0,0,0,0|0,1,0]=3 399 B9R1.12 CCNCC1=NC=CS1 CDS012234 [0,2,0,0,0,0|1,1,0]=4 400 B9R1.12 ClCCCN1C=CC=N1 CBR00878 [0,2,0,0,0,0|2,0,0]=4 401 B9R1.12 N#CCCC1=CC=CO1 T208493 [0,2,0,0,0,0|0,0,0]=2 402 B9R1.12 N#CCCC1=CC=CS1 PH001287 [0,2,0,0,0,0|0,1,0]=3 403 B9R1.12 NCCCC1=CC=CO1 CBR00236 [0,2,0,0,0,0|0,0,0]=2 404 B9R1.12 NCCCN1C=CC=C1 CDS020841 [0,2,0,0,0,0|2,0,0]=4 405 B9R1.12 S=C=NCC1=CC=CO1 CDS003797 [0,2,0,0,0,0|0,0,1]=3 406 B9R1.13 BrC(=CC1=CC=CO1)Br CFSS0001 [0,2,0,0,0,0|0,0,2]=4 407 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [0,2,0,0,0,0|0,0,0]=2 408 B9R1.13 CC(=O)CN1C=CC=N1 CBR00875 [0,2,0,0,0,0|2,0,0]=4 409 B9R1.13 CC(N)CC1=NC=CS1 CDS011820 [0,2,0,0,0,0|1,1,0]=4 410 B9R1.13 CC(O)CC1=CC=CS1 S365017 [0,2,0,0,0,0|0,1,0]=3 411 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [0,2,0,0,0,0|0,1,1]=4 412 B9R1.33 CC1=C(NC=N1)CCN CDS023154 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.33 CC1=C(SC=C1)CCN CBR01050 [0,2,0,0,0,0|0,1,0]=3 414 B9R1.33 CC1=C(SC=N1)CCN CBR00609 [0,2,0,0,0,0|1,1,0]=4 415 B9R1.33 CC1=CC=NN1CCCl CBR00210 [0,2,0,0,0,0|2,0,0]=4 416 B9R1.33 CC1=CC=NN1CCN CDS009661 [0,2,0,0,0,0|2,0,0]=4 417 B9R1.33 CN1C=CC=C1CC#N CBR02122 [0,2,0,0,0,0|1,0,1]=4 418 B9R1.33 CN1C=CC=C1CCN CBR01483 [0,2,0,0,0,0|1,0,0]=3 419 B9R1.33 CN1C=CN=C1CCCl CBR01829 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.33 CN1C=CN=C1CCN CBR02384 [0,2,0,0,0,0|2,0,0]=4 421 B9R1.33 CN1C=CN=C1CCO CDS023208 [0,2,0,0,0,0|2,0,0]=4 422 B9R1.33 CNCC1=CC=NN1C CDS014702 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.33 N(C)CC1=CC=CN1C T316350 [0,2,0,0,0,0|1,0,0]=3 424 B7R1.24 C1=CCCC=CC1 T178241 [0,0,1,1,0,0|1,0,1]=4 425 B9R2.20 O=C1C=CC2C1CC2 T178160 [0,1,0,1,0,0|1,0,1]=4 426 B9R2.2 C1=CC(=NN1)C2CC2 CDS009184 [0,1,0,1,0,0|2,0,0]=4 427 B9R2.3 C1=C2CNCC2=NN1 MNO000144 [0,1,0,1,0,0|2,0,0]=4 428 B9R2.3 C1=NNC2=C1CCC2 CBR01038 [0,1,0,1,0,0|2,0,0]=4