0 B6R1.2 BrC1=CC=CS1 NO21414 [0,0,0,0,0,0|2,1,0]=3 1 B6R1.2 BrC1=CC=C[Se]1 DY114898 [0,0,0,0,0,0|2,1,0]=3 2 B6R1.2 BrC1=CC=NN1 NO17757 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 BrC1=CN=CS1 NO14114 [0,0,0,0,0,0|3,1,0]=4 4 B6R1.2 BrC1=CNC=N1 NO14270 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 BrC1=CNN=C1 NO13922 [0,0,0,0,0,0|4,0,0]=4 6 B6R1.2 BrC1=COC=C1 NO19877 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 BrC1=CSC=C1 NO21415 [0,0,0,0,0,0|2,1,0]=3 8 B6R1.2 BrC1=CSC=N1 DY20197 [0,0,0,0,0,0|3,1,0]=4 9 B6R1.2 BrC1=NC=CN1 NO19858 [0,0,0,0,0,0|4,0,0]=4 10 B6R1.2 BrC1=NC=CS1 NO14242 [0,0,0,0,0,0|3,1,0]=4 11 B6R1.2 BrC1=NC=NS1 NO14599 [0,0,0,0,0,0|3,1,0]=4 12 B6R1.2 BrC1=NN=CN1 NO18124 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 BrC1=NN=CS1 NO21329 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 BrC1=NNC=C1 NO19717 [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 BrC1=NNC=N1 NO22126 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 BrC1=NOC=C1 DY113742 [0,0,0,0,0,0|2,0,0]=2 17 B6R1.2 BrC1=NSC=C1 NO11529 [0,0,0,0,0,0|2,1,0]=3 18 B6R1.2 BrC1=NSC=N1 DY586016 [0,0,0,0,0,0|3,1,0]=4 19 B6R1.2 CC1=CC=CN1 NO21660 [0,0,0,0,0,0|3,0,0]=3 20 B6R1.2 CC1=CC=CS1 NO21701 [0,0,0,0,0,0|2,1,0]=3 21 B6R1.2 CC1=CC=NN1 DY21108 [0,0,0,0,0,0|3,0,0]=3 22 B6R1.2 CC1=CN=CS1 NO10460 [0,0,0,0,0,0|3,1,0]=4 23 B6R1.2 CC1=CNC=C1 DY20689 [0,0,0,0,0,0|3,0,0]=3 24 B6R1.2 CC1=CNC=N1 DY20397 [0,0,0,0,0,0|4,0,0]=4 25 B6R1.2 CC1=CNN=C1 NO22982 [0,0,0,0,0,0|4,0,0]=4 26 B6R1.2 CC1=CNN=N1 NO12910 [0,0,0,0,0,0|4,0,0]=4 27 B6R1.2 CC1=CON=C1 DY822175 [0,0,0,0,0,0|3,0,0]=3 28 B6R1.2 CC1=CSC=N1 NO15621 [0,0,0,0,0,0|3,1,0]=4 29 B6R1.2 CC1=NC=CN1 DY562149 [0,0,0,0,0,0|4,0,0]=4 30 B6R1.2 CC1=NC=CN1 DY567567 [0,0,0,0,0,0|4,0,0]=4 31 B6R1.2 CC1=NC=CS1 NO22598 [0,0,0,0,0,0|3,1,0]=4 32 B6R1.2 CC1=NN=CO1 NO12863 [0,0,0,0,0,0|4,0,0]=4 33 B6R1.2 CC1=NNC=C1 NO13720 [0,0,0,0,0,0|3,0,0]=3 34 B6R1.2 CC1=NNC=N1 NO22353 [0,0,0,0,0,0|4,0,0]=4 35 B6R1.2 CC1=NOC=C1 NO11533 [0,0,0,0,0,0|2,0,0]=2 36 B6R1.2 CN1C=CC=C1 NO20770 [0,0,0,0,0,0|4,0,0]=4 37 B6R1.2 CN1C=CC=N1 NO19419 [0,0,0,0,0,0|4,0,0]=4 38 B6R1.2 CN1C=CN=N1 NO20743 [0,0,0,0,0,0|4,0,0]=4 39 B6R1.2 ClC1=CN=CN1 NO10347 [0,0,0,0,0,0|4,0,0]=4 40 B6R1.2 ClC1=CN=CS1 DY460404 [0,0,0,0,0,0|3,1,0]=4 41 B6R1.2 ClC1=CNN=C1 NO18764 [0,0,0,0,0,0|4,0,0]=4 42 B6R1.2 ClC1=CSC=N1 NO14317 [0,0,0,0,0,0|3,1,0]=4 43 B6R1.2 ClC1=NC=NS1 NO13994 [0,0,0,0,0,0|3,1,0]=4 44 B6R1.2 ClC1=NN=CN1 NO18465 [0,0,0,0,0,0|4,0,0]=4 45 B6R1.2 ClC1=NN=CS1 DY558585 [0,0,0,0,0,0|4,0,0]=4 46 B6R1.2 ClC1=NNC=N1 NO13947 [0,0,0,0,0,0|4,0,0]=4 47 B6R1.2 FC1=CNN=C1 DY550557 [0,0,0,0,0,0|4,0,0]=4 48 B6R1.2 IC1=CC=CS1 NO21616 [0,0,0,0,0,0|2,1,0]=3 49 B6R1.2 IC1=CNC=N1 NO14306 [0,0,0,0,0,0|4,0,0]=4 50 B6R1.2 IC1=CNN=C1 NO14308 [0,0,0,0,0,0|4,0,0]=4 51 B6R1.2 IC1=CSC=C1 NO22332 [0,0,0,0,0,0|2,1,0]=3 52 B6R1.2 IC1=NC=CN1 NO21881 [0,0,0,0,0,0|4,0,0]=4 53 B6R1.2 IC1=NNC=C1 NO13669 [0,0,0,0,0,0|3,0,0]=3 54 B6R1.2 NC1=CC=NO1 DY459948 [0,0,0,0,0,0|2,0,0]=2 55 B6R1.2 NC1=CC=NS1 DY20989 [0,0,0,0,0,0|2,1,0]=3 56 B6R1.2 NC1=CN=NS1 NO13955 [0,0,0,0,0,0|3,1,0]=4 57 B6R1.2 NC1=CNC=N1 DY506688 [0,0,0,0,0,0|4,0,0]=4 58 B6R1.2 NC1=CNC=N1 NO16117 [0,0,0,0,0,0|4,0,0]=4 59 B6R1.2 NC1=CNN=C1 NO18307 [0,0,0,0,0,0|4,0,0]=4 60 B6R1.2 NC1=COC=N1 DY121309 [0,0,0,0,0,0|3,0,0]=3 61 B6R1.2 NC1=CON=C1 NO15739 [0,0,0,0,0,0|3,0,0]=3 62 B6R1.2 NC1=CSC=C1 NO12280 [0,0,0,0,0,0|2,1,0]=3 63 B6R1.2 NC1=NC=CN1 NO13716 [0,0,0,0,0,0|4,0,0]=4 64 B6R1.2 NC1=NC=CO1 NO19070 [0,0,0,0,0,0|3,0,0]=3 65 B6R1.2 NC1=NC=CS1 NO16381 [0,0,0,0,0,0|3,1,0]=4 66 B6R1.2 NC1=NC=NN1 NO15608 [0,0,0,0,0,0|4,0,0]=4 67 B6R1.2 NC1=NC=NS1 NO13953 [0,0,0,0,0,0|3,1,0]=4 68 B6R1.2 NC1=NC=NS1 NO15183 [0,0,0,0,0,0|3,1,0]=4 69 B6R1.2 NC1=NN=CS1 NO22505 [0,0,0,0,0,0|4,0,0]=4 70 B6R1.2 NC1=NNC=C1 DY645486 [0,0,0,0,0,0|3,0,0]=3 71 B6R1.2 NC1=NNC=C1 NO22527 [0,0,0,0,0,0|3,0,0]=3 72 B6R1.2 NC1=NNC=N1 NO22032 [0,0,0,0,0,0|4,0,0]=4 73 B6R1.2 NC1=NOC=C1 NO14368 [0,0,0,0,0,0|2,0,0]=2 74 B6R1.2 NN1C=CC=C1 DY10332 [0,0,0,0,0,0|4,0,0]=4 75 B6R1.2 NN1C=CN=C1 DY725995 [0,0,0,0,0,0|4,0,0]=4 76 B6R1.2 O=C1CC=NN1 NO20496 [0,0,0,0,0,0|2,0,1]=3 77 B6R1.2 O=C1CCCC1 DY21085 [0,0,0,0,0,0|2,0,2]=4 78 B6R1.2 O=C1CCNC1 NO22412 [0,0,0,0,0,0|2,0,2]=4 79 B6R1.2 O=C1CCOC1 NO18178 [0,0,0,0,0,0|1,0,2]=3 80 B6R1.2 O=C1CCSC1 DY20305 [0,0,0,0,0,0|1,1,2]=4 81 B6R1.2 O=C1N=CCO1 DY565077 [0,0,0,0,0,0|2,0,0]=2 82 B6R1.2 O=C1NCCN1 NO21607 [0,0,0,0,0,0|3,0,1]=4 83 B6R1.2 OC1=NC=CS1 NO12100 [0,0,0,0,0,0|2,1,1]=4 84 B6R1.2 OC1=NN=CS1 DY607647 [0,0,0,0,0,0|3,0,1]=4 85 B6R1.2 ON1C=CC=N1 NO12818 [0,0,0,0,0,0|3,0,1]=4 86 B6R1.2 S=C1N=CNN1 DY548295 [0,0,0,0,0,0|3,1,0]=4 87 B6R1.2 S=C1NCCO1 DY561801 [0,0,0,0,0,0|2,1,1]=4 88 B6R1.2 SC1=NC=CS1 DY573237 [0,0,0,0,0,0|2,2,0]=4 89 B6R1.2 SC1=NN=CS1 DY20533 [0,0,0,0,0,0|3,1,0]=4 90 B5R1.1 C1=CCNC1 DY10278 [1,0,0,0,0,0|2,0,1]=4 91 B5R1.1 C1=CCNC1 DY798015 [1,0,0,0,0,0|2,0,1]=4 92 B5R1.1 C1=CNC=C1 DY20798 [1,0,0,0,0,0|2,0,0]=3 93 B5R1.1 C1=CNC=N1 DY725677 [1,0,0,0,0,0|3,0,0]=4 94 B5R1.1 C1=CNC=N1 NO19767 [1,0,0,0,0,0|3,0,0]=4 95 B5R1.1 C1=CNN=C1 NO18933 [1,0,0,0,0,0|2,0,0]=3 96 B5R1.1 C1=CNN=N1 DY793779 [1,0,0,0,0,0|3,0,0]=4 97 B5R1.1 C1=COC=N1 DY546507 [1,0,0,0,0,0|2,0,0]=3 98 B5R1.1 C1=CON=C1 DY20462 [1,0,0,0,0,0|1,0,0]=2 99 B5R1.1 C1=CSN=C1 DY20995 [1,0,0,0,0,0|1,1,0]=3 100 B5R1.1 C1=C[CH-]C=C1 DY21078 [1,0,0,0,0,0|2,0,0]=3 101 B5R1.1 C1=NC=NN1 NO19896 [1,0,0,0,0,0|3,0,0]=4 102 B5R1.1 C1=NCCO1 DY793809 [1,0,0,0,0,0|2,0,1]=4 103 B7R1.1 CNC1=CC=CS1 DY786838 [0,1,0,0,0,0|2,1,0]=4 104 B7R1.1 CNC1=NNC=C1 DY555147 [0,1,0,0,0,0|3,0,0]=4 105 B7R1.1 COC1=CC=CO1 DY759896 [0,1,0,0,0,0|1,0,1]=3 106 B7R1.1 COC1=CSC=C1 NO22351 [0,1,0,0,0,0|1,1,1]=4 107 B7R1.1 CSC1=NC=CO1 NO17723 [0,1,0,0,0,0|2,1,0]=4 108 B7R1.1 ClCC1=CC=CO1 NO13429 [0,1,0,0,0,0|2,0,0]=3 109 B7R1.1 ClCC1=CN=CO1 DY114644 [0,1,0,0,0,0|3,0,0]=4 110 B7R1.1 N#CC1=CC=CS1 NO22701 [0,1,0,0,0,0|2,1,0]=4 111 B7R1.1 N#CC1=CC=NO1 NO17495 [0,1,0,0,0,0|2,0,0]=3 112 B7R1.1 N#CC1=CNC=C1 DY568533 [0,1,0,0,0,0|3,0,0]=4 113 B7R1.1 N#CC1=COC=N1 NO18363 [0,1,0,0,0,0|3,0,0]=4 114 B7R1.1 N#CC1=CSC=C1 NO17418 [0,1,0,0,0,0|2,1,0]=4 115 B7R1.1 N#CC1=NNC=C1 NO20722 [0,1,0,0,0,0|3,0,0]=4 116 B7R1.1 NCC1=CC=CN1 NO14874 [0,1,0,0,0,0|3,0,0]=4 117 B7R1.1 NCC1=CC=CS1 NO22783 [0,1,0,0,0,0|2,1,0]=4 118 B7R1.1 NCC1=CN=CO1 NO17502 [0,1,0,0,0,0|3,0,0]=4 119 B7R1.1 NCC1=CN=CO1 NO18508 [0,1,0,0,0,0|3,0,0]=4 120 B7R1.1 NCC1=CON=C1 DY531627 [0,1,0,0,0,0|3,0,0]=4 121 B7R1.1 NCC1=CSC=C1 NO22417 [0,1,0,0,0,0|2,1,0]=4 122 B7R1.1 NCC1=NC=CO1 DY773829 [0,1,0,0,0,0|3,0,0]=4 123 B7R1.1 NCC1=NNC=C1 NO15493 [0,1,0,0,0,0|3,0,0]=4 124 B7R1.1 O=CC1=CC=CN1 NO17764 [0,1,0,0,0,0|2,0,0]=3 125 B7R1.1 O=CC1=CC=CS1 NO16400 [0,1,0,0,0,0|1,1,0]=3 126 B7R1.1 O=CC1=CCCC1 NO12865 [0,1,0,0,0,0|2,0,1]=4 127 B7R1.1 O=CC1=CN=CS1 NO15582 [0,1,0,0,0,0|2,1,0]=4 128 B7R1.1 O=CC1=CNC=C1 NO20728 [0,1,0,0,0,0|2,0,0]=3 129 B7R1.1 O=CC1=CNC=N1 NO14113 [0,1,0,0,0,0|3,0,0]=4 130 B7R1.1 O=CC1=CNN=C1 NO17644 [0,1,0,0,0,0|3,0,0]=4 131 B7R1.1 O=CC1=CNN=C1 NO18258 [0,1,0,0,0,0|3,0,0]=4 132 B7R1.1 O=CC1=CSC=C1 NO14553 [0,1,0,0,0,0|1,1,0]=3 133 B7R1.1 O=CC1=NC=CN1 NO15723 [0,1,0,0,0,0|3,0,0]=4 134 B7R1.1 O=CC1=NC=CO1 DY565689 [0,1,0,0,0,0|2,0,0]=3 135 B7R1.1 O=CC1=NNC=C1 NO18284 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.1 OCC1=CC=NO1 NO15343 [0,1,0,0,0,0|1,0,1]=3 137 B7R1.1 OCC1=COC=C1 NO22303 [0,1,0,0,0,0|1,0,1]=3 138 B7R1.1 OCC1=CSC=C1 NO18039 [0,1,0,0,0,0|1,1,1]=4 139 B7R1.2 BrC1=CC=C(Br)S1 NO22553 [0,1,0,0,0,0|2,1,0]=4 140 B7R1.2 CC1=CC(=O)CC1 NO22356 [0,1,0,0,0,0|2,0,0]=3 141 B7R1.2 CC1=CC(=O)NN1 NO22601 [0,1,0,0,0,0|2,0,0]=3 142 B7R1.2 CC1=CC(Br)=CS1 NO22736 [0,1,0,0,0,0|2,1,0]=4 143 B7R1.2 CC1=CC(Br)=NN1 NO12832 [0,1,0,0,0,0|3,0,0]=4 144 B7R1.2 CC1=CC(Br)=NO1 DY113406 [0,1,0,0,0,0|2,0,0]=3 145 B7R1.2 CC1=CC(C)=NN1 NO19982 [0,1,0,0,0,0|3,0,0]=4 146 B7R1.2 CC1=CC(C)=NO1 NO14107 [0,1,0,0,0,0|2,0,0]=3 147 B7R1.2 CC1=CC(I)=NN1 NO16887 [0,1,0,0,0,0|3,0,0]=4 148 B7R1.2 CC1=CC(N)=CS1 DY786994 [0,1,0,0,0,0|2,1,0]=4 149 B7R1.2 CC1=CC=C(Br)O1 DY513585 [0,1,0,0,0,0|2,0,0]=3 150 B7R1.2 CC1=CC=C(Br)S1 NO22735 [0,1,0,0,0,0|2,1,0]=4 151 B7R1.2 CC1=CC=C(C)N1 NO21153 [0,1,0,0,0,0|3,0,0]=4 152 B7R1.2 CC1=CC=C(Cl)S1 DY451354 [0,1,0,0,0,0|2,1,0]=4 153 B7R1.2 CC1=CC=C(I)S1 DY530097 [0,1,0,0,0,0|2,1,0]=4 154 B7R1.2 CC1=CC=C(N)S1 DY787300 [0,1,0,0,0,0|2,1,0]=4 155 B7R1.2 CC1=CC=C(N)S1 DY787384 [0,1,0,0,0,0|2,1,0]=4 156 B7R1.2 CC1=CCC(=O)O1 DY562161 [0,1,0,0,0,0|1,0,1]=3 157 B7R1.2 CC1=COC(C)=N1 DY568869 [0,1,0,0,0,0|3,0,0]=4 158 B7R1.2 CC1=NC(N)=CO1 DY773883 [0,1,0,0,0,0|3,0,0]=4 159 B7R1.2 CC1=NCC(=O)O1 DY774159 [0,1,0,0,0,0|2,0,1]=4 160 B7R1.2 CC1=NNC(=O)C1 NO16242 [0,1,0,0,0,0|2,0,1]=4 161 B7R1.2 CC1=NNC(=O)O1 NO10427 [0,1,0,0,0,0|3,0,0]=4 162 B7R1.2 CC1=NOC(Br)=C1 DY773601 [0,1,0,0,0,0|2,0,0]=3 163 B7R1.2 CC1=NOC(Br)=N1 DY582975 [0,1,0,0,0,0|3,0,0]=4 164 B7R1.2 CC1=NOC(N)=C1 NO16239 [0,1,0,0,0,0|2,0,0]=3 165 B7R1.2 CC1=NSC(N)=C1 DY459756 [0,1,0,0,0,0|2,1,0]=4 166 B7R1.2 CC1=NSC(N)=C1 NO16387 [0,1,0,0,0,0|2,1,0]=4 167 B7R1.2 CN1C=CC(Br)=N1 NO20720 [0,1,0,0,0,0|3,0,0]=4 168 B7R1.2 CN1C=CC(N)=C1 NO17699 [0,1,0,0,0,0|3,0,0]=4 169 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [0,1,0,0,0,0|2,0,1]=4 170 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [0,1,0,0,0,0|2,0,1]=4 171 B7R1.2 C[N+]1=CC(=O)O[N-]1 DY567615 [0,1,0,0,0,0|2,0,0]=3 172 B7R1.2 ClC1=CC=C(Cl)S1 DY548247 [0,1,0,0,0,0|2,1,0]=4 173 B7R1.2 IC1=COC(I)=N1 DY503553 [0,1,0,0,0,0|3,0,0]=4 174 B7R1.2 NC1=CC(=O)CS1 DY786970 [0,1,0,0,0,0|1,1,0]=3 175 B7R1.2 NC1=CC(=O)NN1 NO13152 [0,1,0,0,0,0|2,0,0]=3 176 B7R1.2 NC1=CC(Br)=CN1 DY717897 [0,1,0,0,0,0|3,0,0]=4 177 B7R1.2 NC1=CC(N)=NN1 DY645492 [0,1,0,0,0,0|3,0,0]=4 178 B7R1.2 NC1=CSC(Cl)=C1 DY104600 [0,1,0,0,0,0|2,1,0]=4 179 B7R1.2 NC1=NC=C(Br)O1 DY522675 [0,1,0,0,0,0|3,0,0]=4 180 B7R1.2 NC1=NNC(=O)C1 NO14532 [0,1,0,0,0,0|2,0,1]=4 181 B7R1.2 NC1=NNC(Br)=C1 NO15854 [0,1,0,0,0,0|3,0,0]=4 182 B7R1.2 N[C@@H]1COC(=O)C1 NO14340 [0,1,0,0,0,0|1,0,2]=4 183 B7R1.2 N[C@H]1COC(=O)C1 NO14674 [0,1,0,0,0,0|1,0,2]=4 184 B7R1.2 O=C1C=CC(=O)O1 DY743137 [0,1,0,0,0,0|1,0,0]=2 185 B7R1.2 O=C1C=C[C@H](O)C1 DY562569 [0,1,0,0,0,0|2,0,0]=3 186 B7R1.2 O=C1CCC(=O)C1 DY552447 [0,1,0,0,0,0|2,0,1]=4 187 B7R1.2 O=C1CCC(=O)N1 DY822949 [0,1,0,0,0,0|3,0,0]=4 188 B7R1.2 O=C1CSC(=O)N1 NO22526 [0,1,0,0,0,0|2,1,0]=4 189 B7R1.2 O=C1CSC(=S)N1 DY522063 [0,1,0,0,0,0|2,1,0]=4 190 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [0,1,0,0,0,0|1,0,2]=4 191 B7R1.4 BrC1=C(Br)SC=C1 NO22551 [0,1,0,0,0,0|2,1,0]=4 192 B7R1.4 BrC1=CSC=C1Br NO22554 [0,1,0,0,0,0|2,1,0]=4 193 B7R1.4 CC1=C(Br)C=NN1 NO16927 [0,1,0,0,0,0|3,0,0]=4 194 B7R1.4 CC1=C(Br)SC=C1 NO13700 [0,1,0,0,0,0|2,1,0]=4 195 B7R1.4 CC1=C(N)C=NN1 DY605875 [0,1,0,0,0,0|3,0,0]=4 196 B7R1.4 CC1=C(N)C=NN1 DY609385 [0,1,0,0,0,0|3,0,0]=4 197 B7R1.4 CC1=CC=NN1C NO19266 [0,1,0,0,0,0|3,0,0]=4 198 B7R1.4 CC1=CNN=C1C NO13346 [0,1,0,0,0,0|3,0,0]=4 199 B7R1.4 CC1=NNC=C1Br NO15947 [0,1,0,0,0,0|3,0,0]=4 200 B7R1.4 CC1=NNC=C1I NO22358 [0,1,0,0,0,0|3,0,0]=4 201 B7R1.4 CC1=NOC=C1N NO17073 [0,1,0,0,0,0|2,0,0]=3 202 B7R1.4 CC1CCOC1=O DY759320 [0,1,0,0,0,0|1,0,2]=4 203 B7R1.4 CC1OCCC1=O NO14135 [0,1,0,0,0,0|1,0,2]=4 204 B7R1.4 CN1CC=CC1=O DY717447 [0,1,0,0,0,0|2,0,0]=3 205 B7R1.4 CN1N=CC=C1Br NO12124 [0,1,0,0,0,0|3,0,0]=4 206 B7R1.4 CN1N=CC=C1N NO22609 [0,1,0,0,0,0|3,0,0]=4 207 B7R1.4 CN1N=CC=C1O NO10399 [0,1,0,0,0,0|2,0,1]=4 208 B7R1.4 CN1N=CCC1=O NO15601 [0,1,0,0,0,0|2,0,1]=4 209 B7R1.4 ClC1=C(Br)C=CS1 NO22555 [0,1,0,0,0,0|2,1,0]=4 210 B7R1.4 NC1=C(Br)C=NN1 NO14320 [0,1,0,0,0,0|3,0,0]=4 211 B7R1.4 NC1=CC=NN1Br DY645088 [0,1,0,0,0,0|3,0,0]=4 212 B7R1.4 NC1=CNN=C1N DY529047 [0,1,0,0,0,0|3,0,0]=4 213 B7R1.4 NC1=NNC=C1Cl DY648163 [0,1,0,0,0,0|3,0,0]=4 214 B7R1.4 NC1=NON=C1N NO21924 [0,1,0,0,0,0|3,0,0]=4 215 B7R1.4 NC1CONC1=O NO19264 [0,1,0,0,0,0|1,0,2]=4 216 B7R1.4 NN1CCOC1=O DY774063 [0,1,0,0,0,0|2,0,1]=4 217 B7R1.4 N[C@@H]1CCOC1=O NO18578 [0,1,0,0,0,0|1,0,2]=4 218 B7R1.4 N[C@@H]1CONC1=O NO22528 [0,1,0,0,0,0|1,0,2]=4 219 B7R1.4 N[C@H]1CCOC1=O DY541269 [0,1,0,0,0,0|1,0,2]=4 220 B7R1.4 O=C1CCC=C1Br DY504081 [0,1,0,0,0,0|2,0,0]=3 221 B7R1.4 O=C1CCC=C1O NO14654 [0,1,0,0,0,0|2,0,0]=3 222 B7R1.4 O=C1O[Cu]OC1=O DY560313 [0,1,0,0,0,0|2,0,0]=3 223 B7R1.14 O=S1(=O)C=CCO1 NO13255 [0,1,0,0,0,0|2,0,0]=3 224 B5R0.1 CC#CC(=O)O DY20776 [0,0,1,0,0,0|1,0,2]=4 225 B5R0.1 CC(=O)O[Ru]Cl DY577947 [0,0,1,0,0,0|2,0,1]=4 226 B5R0.1 CC(=O)\C=N\O NO11520 [0,0,1,0,0,0|2,0,0]=3 227 B5R0.1 CC(=O)\C=N\O NO18968 [0,0,1,0,0,0|2,0,0]=3 228 B5R0.1 CNCC(=O)O NO18595 [0,0,1,0,0,0|2,0,1]=4 229 B5R0.1 COCC(=O)O NO11579 [0,0,1,0,0,0|2,0,1]=4 230 B5R0.1 CSCC(=O)O DY543879 [0,0,1,0,0,0|2,0,1]=4 231 B5R0.1 C\C=C\C(=O)O DY41882 [0,0,1,0,0,0|1,0,0]=2 232 B5R0.1 C\C=C\[C@H](C)O DY791877 [0,0,1,0,0,0|2,0,1]=4 233 B5R0.1 NCCC(=O)O NO13499 [0,0,1,0,0,0|1,0,2]=4 234 B5R0.1 N\C=C\C(N)=O DY741355 [0,0,1,0,0,0|2,0,0]=3 235 B5R0.1 O=C(O)OCCl DY523719 [0,0,1,0,0,0|2,0,1]=4 236 B5R0.2 CC\C=C\CO DY527871 [0,0,1,0,0,0|2,0,1]=4 237 B5R0.2 C\C=C\CCO DY799773 [0,0,1,0,0,0|2,0,1]=4 238 B5R0.2 NOC\C=C\Cl DY583173 [0,0,1,0,0,0|2,0,1]=4 239 B5R0.2 O=CNNC=O NO20491 [0,0,1,0,0,0|3,0,0]=4 240 B5R0.2 OC\C=C\CCl DY10262 [0,0,1,0,0,0|2,0,1]=4 241 B5R0.3 C=CC(N)CO DY579231 [0,0,1,0,0,0|2,0,1]=4 242 B5R0.3 C=C[C@H](O)CO DY625759 [0,0,1,0,0,0|1,0,2]=4 243 B5R0.3 CCC(=O)OC DY460566 [0,0,1,0,0,0|1,0,2]=4 244 B5R0.3 COC(=O)CF DY822286 [0,0,1,0,0,0|2,0,1]=4 245 B5R0.3 COC(=O)CN NO15045 [0,0,1,0,0,0|2,0,1]=4 246 B5R0.3 COC(=O)CO NO19433 [0,0,1,0,0,0|2,0,1]=4 247 B5R0.3 COC(=O)CS DY20578 [0,0,1,0,0,0|2,0,1]=4 248 B5R0.3 COC(=O)NN DY20825 [0,0,1,0,0,0|3,0,0]=4 249 B5R0.3 O=C(CO)CO NO11245 [0,0,1,0,0,0|2,0,1]=4 250 B5R1.2 C=C1COC1 DY584212 [0,0,0,0,1,0|2,0,1]=4 251 B5R1.2 O=C1CCC1 DY10479 [0,0,0,0,1,0|1,0,2]=4 252 B5R1.2 O=C1CCO1 DY561045 [0,0,0,0,1,0|0,0,2]=3 253 B5R1.2 O=C1COC1 NO22391 [0,0,0,0,1,0|1,0,1]=3 254 B5R1.2 O=C1CSC1 NO13345 [0,0,0,0,1,0|1,1,1]=4 255 B5R1.2 O=C1O[Mg]O1 DY566343 [0,0,0,0,1,0|2,0,0]=3 256 B7R1.3 BrC1=CC=CN=C1 NO19218 [0,0,0,0,0,1|3,0,0]=4 257 B7R1.3 BrC1=CC=NC=C1 NO13376 [0,0,0,0,0,1|3,0,0]=4 258 B7R1.3 BrC1=CCOCC1 DY543735 [0,0,0,0,0,1|2,0,1]=4 259 B7R1.3 BrC1=CN=CN=C1 NO22560 [0,0,0,0,0,1|3,0,0]=4 260 B7R1.3 BrC1=NC=CC=C1 NO17815 [0,0,0,0,0,1|3,0,0]=4 261 B7R1.3 BrC1=NC=CC=N1 NO13369 [0,0,0,0,0,1|3,0,0]=4 262 B7R1.3 BrC1=NC=CN=C1 NO15000 [0,0,0,0,0,1|3,0,0]=4 263 B7R1.3 CC1=CC=CN=N1 NO22374 [0,0,0,0,0,1|3,0,0]=4 264 B7R1.3 CC1=CN=CN=C1 NO18851 [0,0,0,0,0,1|3,0,0]=4 265 B7R1.3 CC1=CN=NC=C1 NO22983 [0,0,0,0,0,1|3,0,0]=4 266 B7R1.3 CC1=NC=NC=C1 NO19795 [0,0,0,0,0,1|3,0,0]=4 267 B7R1.3 CC1C=CCCO1 DY560079 [0,0,0,0,0,1|2,0,1]=4 268 B7R1.3 ClC1=CC=NC=C1 DY715154 [0,0,0,0,0,1|3,0,0]=4 269 B7R1.3 ClC1=CC=NC=C1 NO13378 [0,0,0,0,0,1|3,0,0]=4 270 B7R1.3 ClC1=CN=CN=C1 NO15471 [0,0,0,0,0,1|3,0,0]=4 271 B7R1.3 ClC1=CN=NC=C1 DY427202 [0,0,0,0,0,1|3,0,0]=4 272 B7R1.3 ClC1=NC=CC=C1 DY20672 [0,0,0,0,0,1|3,0,0]=4 273 B7R1.3 ClC1=NC=CC=N1 DY10446 [0,0,0,0,0,1|3,0,0]=4 274 B7R1.3 ClC1=NC=CC=N1 DY693436 [0,0,0,0,0,1|3,0,0]=4 275 B7R1.3 ClC1=NC=CN=C1 NO15454 [0,0,0,0,0,1|3,0,0]=4 276 B7R1.3 FC1=CC=CC=C1 DY41489 [0,0,0,0,0,1|3,0,0]=4 277 B7R1.3 FC1=CC=CN=C1 DY20006 [0,0,0,0,0,1|3,0,0]=4 278 B7R1.3 FC1=CC=CN=N1 DY736850 [0,0,0,0,0,1|3,0,0]=4 279 B7R1.3 FC1=NC=CC=C1 DY20005 [0,0,0,0,0,1|3,0,0]=4 280 B7R1.3 FC1=NC=CC=N1 DY429402 [0,0,0,0,0,1|3,0,0]=4 281 B7R1.3 IC1=CC=CC=C1 NO19958 [0,0,0,0,0,1|3,0,0]=4 282 B7R1.3 IC1=CN=CN=C1 NO12325 [0,0,0,0,0,1|3,0,0]=4 283 B7R1.3 IC1=NC=CC=C1 NO14565 [0,0,0,0,0,1|3,0,0]=4 284 B7R1.3 IC1=NC=CC=N1 NO14968 [0,0,0,0,0,1|3,0,0]=4 285 B7R1.3 IC1=NC=CN=C1 DY425096 [0,0,0,0,0,1|3,0,0]=4 286 B7R1.3 NC1=CC=CN=C1 NO19073 [0,0,0,0,0,1|3,0,0]=4 287 B7R1.3 NC1=CC=CN=N1 NO18539 [0,0,0,0,0,1|3,0,0]=4 288 B7R1.3 NC1=CC=CN=N1 NO19775 [0,0,0,0,0,1|3,0,0]=4 289 B7R1.3 NC1=CC=NC=C1 DY20017 [0,0,0,0,0,1|3,0,0]=4 290 B7R1.3 NC1=CN=CN=C1 NO18383 [0,0,0,0,0,1|3,0,0]=4 291 B7R1.3 NC1=CN=NC=C1 NO18154 [0,0,0,0,0,1|3,0,0]=4 292 B7R1.3 NC1=NC=CC=N1 NO13370 [0,0,0,0,0,1|3,0,0]=4 293 B7R1.3 NC1=NC=CN=C1 NO16102 [0,0,0,0,0,1|3,0,0]=4 294 B7R1.3 NC1=NC=CN=N1 DY459438 [0,0,0,0,0,1|3,0,0]=4 295 B7R1.3 NC1=NC=NC=C1 DY696160 [0,0,0,0,0,1|3,0,0]=4 296 B7R1.3 NC1=NC=NC=C1 NO19707 [0,0,0,0,0,1|3,0,0]=4 297 B7R1.3 O=C1C=CC=CN1 NO18724 [0,0,0,0,0,1|2,0,0]=3 298 B7R1.3 O=C1C=CC=NN1 NO19793 [0,0,0,0,0,1|2,0,0]=3 299 B7R1.3 O=C1C=CCCN1 NO15771 [0,0,0,0,0,1|2,0,0]=3 300 B7R1.3 O=C1C=CCOC1 NO17023 [0,0,0,0,0,1|1,0,0]=2 301 B7R1.3 O=C1C=CN=CN1 NO19105 [0,0,0,0,0,1|2,0,0]=3 302 B7R1.3 O=C1CCCCO1 NO11208 [0,0,0,0,0,1|1,0,2]=4 303 B7R1.3 O=C1CCOCC1 NO13380 [0,0,0,0,0,1|1,0,2]=4 304 B7R1.3 O=C1COCCN1 NO11697 [0,0,0,0,0,1|1,0,2]=4 305 B7R1.3 O=C1COCCO1 DY20725 [0,0,0,0,0,1|1,0,2]=4 306 B7R1.3 O=c1ccocc1 DY460890 [0,0,0,0,0,1|1,0,0]=2 307 B7R1.3 OC1=CC=CN=C1 NO17813 [0,0,0,0,0,1|2,0,1]=4 308 B7R1.3 OC1=CC=NC=C1 NO19216 [0,0,0,0,0,1|2,0,1]=4 309 B7R1.3 OC1=CN=CN=C1 NO10407 [0,0,0,0,0,1|2,0,1]=4 310 B7R1.3 OC1=CN=NC=C1 DY538881 [0,0,0,0,0,1|2,0,1]=4 311 B7R1.3 OC1=CN=NC=C1 NO17666 [0,0,0,0,0,1|2,0,1]=4 312 B7R1.3 OC1=NC=CC=C1 NO21602 [0,0,0,0,0,1|2,0,1]=4 313 B7R1.3 OC1=NC=CC=N1 NO14246 [0,0,0,0,0,1|2,0,1]=4 314 B7R1.3 OC1=NC=CC=N1 NO16090 [0,0,0,0,0,1|2,0,1]=4 315 B7R1.3 OC1=NC=CN=C1 NO21601 [0,0,0,0,0,1|2,0,1]=4 316 B7R1.3 OC1=NC=NC=C1 DY737960 [0,0,0,0,0,1|2,0,1]=4 317 B7R1.3 OC1=NC=NC=C1 NO15728 [0,0,0,0,0,1|2,0,1]=4 318 B7R1.3 SC1=CC=CN=N1 DY546327 [0,0,0,0,0,1|2,1,0]=4 319 B7R1.3 [15NH2]C1=CC=CC=C1 DY454761 [0,0,0,0,0,1|3,0,0]=4 320 B7R1.3 [Hg+]C1=CC=CC=C1 DY822438 [0,0,0,0,0,1|3,0,0]=4 321 B4R0.1 C=CC(N)=O DY822472 [1,0,1,0,0,0|1,0,0]=3 322 B4R0.1 CC(=O)CO NO11467 [1,0,1,0,0,0|1,0,1]=4 323 B4R0.1 CC(=O)NO NO14961 [1,0,1,0,0,0|1,0,1]=4 324 B4R0.1 COC(N)=O NO11667 [1,0,1,0,0,0|1,0,1]=4 325 B4R0.1 NCC(=O)O NO19951 [1,0,1,0,0,0|1,0,1]=4 326 B4R0.1 O=C(O)CO NO19334 [1,0,1,0,0,0|0,0,1]=3 327 B4R0.2 COCC=O DY740317 [1,0,1,0,0,0|1,0,1]=4 328 B6R0.1 COC(=O)CC=O DY740485 [0,1,1,0,0,0|0,0,2]=4 329 B6R0.2 CC(C)=CC(=O)O NO14947 [0,1,1,0,0,0|1,0,0]=3 330 B6R0.2 CC(C)=CC(N)=O DY795567 [0,1,1,0,0,0|2,0,0]=4 331 B6R0.2 C[C@H](O)CC(=O)O DY426021 [0,1,1,0,0,0|0,0,2]=4 332 B6R0.3 C=C(C#N)C(=O)O DY741055 [0,1,1,0,0,0|1,0,1]=4 333 B6R0.3 C=CC(C)C(=O)O DY559155 [0,1,1,0,0,0|1,0,1]=4 334 B6R0.3 C=CC(O)C(=O)O DY586439 [0,1,1,0,0,0|1,0,1]=4 335 B6R0.3 C=C[C@H](N)C(=O)O DY21080 [0,1,1,0,0,0|1,0,1]=4 336 B6R0.3 CCC(=O)C(=O)O NO21626 [0,1,1,0,0,0|1,0,1]=4 337 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [0,1,1,0,0,0|0,0,2]=4 338 B6R0.3 NC(=O)\C(N)=N\O DY607877 [0,1,1,0,0,0|2,0,0]=4 339 B6R0.3 NC(CO)C(=O)O NO18949 [0,1,1,0,0,0|0,0,2]=4 340 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [0,1,1,0,0,0|0,0,2]=4 341 B6R0.3 N[C@H](CO)C(=O)O NO14731 [0,1,1,0,0,0|0,0,2]=4 342 B6R0.4 C=CCCC(=O)O NO15216 [0,1,1,0,0,0|1,0,1]=4 343 B6R0.4 C=C\C=C\C(=O)O NO12033 [0,1,1,0,0,0|1,0,0]=3 344 B6R0.4 CC\C=C\C(C)=O DY822743 [0,1,1,0,0,0|2,0,0]=4 345 B6R0.4 NC\C=C\C(=O)O DY552195 [0,1,1,0,0,0|1,0,0]=3 346 B6R1.5 C=C1CC(=O)O1 DY732691 [0,1,0,0,1,0|0,0,1]=3 347 B8R1.2 O=CC1=CC=NC=C1 DY458075 [0,1,0,0,0,1|2,0,0]=4 348 B8R1.2 O=CC1=CCCOC1 NO10171 [0,1,0,0,0,1|1,0,1]=4 349 B8R1.2 O=CC1=CN=CC=C1 NO19090 [0,1,0,0,0,1|2,0,0]=4 350 B8R1.2 O=CC1=CN=CN=C1 NO19643 [0,1,0,0,0,1|2,0,0]=4 351 B8R1.2 O=CC1=NC=CC=C1 NO18610 [0,1,0,0,0,1|2,0,0]=4 352 B8R1.2 O=CC1=NC=CN=C1 NO18375 [0,1,0,0,0,1|2,0,0]=4 353 B8R1.3 CC1=CNC(=O)C=C1 NO21591 [0,1,0,0,0,1|2,0,0]=4 354 B8R1.3 CC1=NNC(=O)C=C1 DY736970 [0,1,0,0,0,1|2,0,0]=4 355 B8R1.3 CC1=NNC(=O)C=C1 NO19836 [0,1,0,0,0,1|2,0,0]=4 356 B8R1.3 NC1=CNC(=O)C=C1 NO15177 [0,1,0,0,0,1|2,0,0]=4 357 B8R1.3 O=C1C=CC(Br)=NN1 NO18174 [0,1,0,0,0,1|2,0,0]=4 358 B8R1.3 O=C1C=CC(Cl)=NN1 NO19694 [0,1,0,0,0,1|2,0,0]=4 359 B8R1.3 O=C1C=CC(O)=CN1 NO15928 [0,1,0,0,0,1|2,0,0]=4 360 B8R1.3 O=C1C=NC(F)=CN1 DY822212 [0,1,0,0,0,1|2,0,0]=4 361 B8R1.3 O=C1COC(=O)CN1 DY549675 [0,1,0,0,0,1|1,0,1]=4 362 B8R1.3 O=C1COC(=O)CO1 DY758720 [0,1,0,0,0,1|1,0,1]=4 363 B8R1.3 O=C1N=CC(Br)=CN1 NO10266 [0,1,0,0,0,1|2,0,0]=4 364 B8R1.3 O=C1N=CC(I)=CN1 NO10410 [0,1,0,0,0,1|2,0,0]=4 365 B8R1.4 CC1=CC(=O)NN=C1 NO10446 [0,1,0,0,0,1|2,0,0]=4 366 B8R1.4 CC1=NC=CC(=O)N1 NO22425 [0,1,0,0,0,1|2,0,0]=4 367 B8R1.4 NC1=CC(=O)COC1 DY777652 [0,1,0,0,0,1|1,0,0]=3 368 B8R1.4 NC1=CC=CC(=O)N1 NO22760 [0,1,0,0,0,1|2,0,0]=4 369 B8R1.4 NC1=NC(=O)NC=C1 NO22211 [0,1,0,0,0,1|2,0,0]=4 370 B8R1.4 O=C1C=C(Br)CCC1 DY560859 [0,1,0,0,0,1|2,0,0]=4 371 B8R1.4 O=C1C=C(Cl)C=NN1 NO12688 [0,1,0,0,0,1|2,0,0]=4 372 B8R1.4 O=C1C=C(I)C=CN1 NO22900 [0,1,0,0,0,1|2,0,0]=4 373 B8R1.4 O=C1C=C(I)C=NN1 NO12955 [0,1,0,0,0,1|2,0,0]=4 374 B8R1.4 O=C1C=C(O)C=CN1 NO19356 [0,1,0,0,0,1|2,0,0]=4 375 B8R1.4 O=C1C=CC=C(Cl)N1 NO10672 [0,1,0,0,0,1|2,0,0]=4 376 B8R1.4 O=C1C=NNC(=O)N1 NO22086 [0,1,0,0,0,1|2,0,0]=4 377 B8R1.5 CC1=CNC=CC1=O DY502725 [0,1,0,0,0,1|2,0,0]=4 378 B8R1.5 CN1N=CC=CC1=O DY736910 [0,1,0,0,0,1|2,0,0]=4 379 B8R1.5 NC1=CC=CNC1=O NO15503 [0,1,0,0,0,1|2,0,0]=4 380 B8R1.5 NC1=CC=NNC1=O NO15772 [0,1,0,0,0,1|2,0,0]=4 381 B8R1.5 O=C1C=COC=C1O NO16007 [0,1,0,0,0,1|1,0,0]=3 382 B8R1.5 O=C1N=CNC=C1Br NO10567 [0,1,0,0,0,1|2,0,0]=4 383 B8R1.5 O=C1N=CNC=C1Br NO12515 [0,1,0,0,0,1|2,0,0]=4 384 B8R1.5 O=C1NC=CC=C1F NO13754 [0,1,0,0,0,1|2,0,0]=4 385 B8R1.5 O=C1NC=CC=C1I NO16075 [0,1,0,0,0,1|2,0,0]=4 386 B8R1.5 O=C1NC=CC=C1O NO22752 [0,1,0,0,0,1|2,0,0]=4 387 B8R1.5 O=C1NC=NC=C1O NO15721 [0,1,0,0,0,1|2,0,0]=4 388 B8R1.5 O=C1NN=CC=C1Cl NO15942 [0,1,0,0,0,1|2,0,0]=4 389 B8R1.1 CC1=CC(C#N)=NO1 NO10448 [0,2,0,0,0,0|2,0,0]=4 390 B8R1.1 CC1=CC(C=O)=CS1 DY443650 [0,2,0,0,0,0|1,1,0]=4 391 B8R1.1 CC1=CC(CBr)=NO1 DY516921 [0,2,0,0,0,0|2,0,0]=4 392 B8R1.1 CC1=CC(CN)=NO1 DY504243 [0,2,0,0,0,0|2,0,0]=4 393 B8R1.1 CC1=CC=C(C=O)N1 NO10436 [0,2,0,0,0,0|2,0,0]=4 394 B8R1.1 CC1=CC=C(C=O)S1 DY20284 [0,2,0,0,0,0|1,1,0]=4 395 B8R1.1 CC1=NC(C=O)=NO1 DY505473 [0,2,0,0,0,0|2,0,0]=4 396 B8R1.1 CC1=NC=C(C=O)O1 DY773127 [0,2,0,0,0,0|2,0,0]=4 397 B8R1.1 CC1=NSC(C=O)=C1 DY116147 [0,2,0,0,0,0|1,1,0]=4 398 B8R1.1 CCC1=NOC(N)=C1 DY773151 [0,2,0,0,0,0|2,0,0]=4 399 B8R1.1 CN1C=CC(C=O)=N1 NO18204 [0,2,0,0,0,0|2,0,0]=4 400 B8R1.1 COC1=CC(N)=NO1 NO18977 [0,2,0,0,0,0|1,0,1]=4 401 B8R1.1 NCC1=CC=C(Br)O1 DY432586 [0,2,0,0,0,0|2,0,0]=4 402 B8R1.1 NCC1=CC=C(Br)O1 DY759704 [0,2,0,0,0,0|2,0,0]=4 403 B8R1.1 O=C1C=C[C@@H](CO)O1 DY20390 [0,2,0,0,0,0|1,0,0]=3 404 B8R1.1 O=CC1=CC(=O)NO1 DY774147 [0,2,0,0,0,0|1,0,0]=3 405 B8R1.1 O=CC1=CC(Br)=CN1 NO14432 [0,2,0,0,0,0|2,0,0]=4 406 B8R1.1 O=CC1=CC(Br)=CO1 NO22678 [0,2,0,0,0,0|1,0,0]=3 407 B8R1.1 O=CC1=CC(Br)=CS1 NO22689 [0,2,0,0,0,0|1,1,0]=4 408 B8R1.1 O=CC1=CC(I)=CN1 DY549363 [0,2,0,0,0,0|2,0,0]=4 409 B8R1.1 O=CC1=CC(I)=CS1 NO16582 [0,2,0,0,0,0|1,1,0]=4 410 B8R1.1 O=CC1=CC=C(Br)S1 NO18323 [0,2,0,0,0,0|1,1,0]=4 411 B8R1.1 O=CC1=CC=C(Cl)N1 DY718245 [0,2,0,0,0,0|2,0,0]=4 412 B8R1.1 O=CC1=NNC(Br)=C1 DY558033 [0,2,0,0,0,0|2,0,0]=4 413 B8R1.1 OCC1=CC=C(Br)O1 NO15423 [0,2,0,0,0,0|1,0,1]=4 414 B8R1.7 CC(=O)C1=CC=CO1 NO18634 [0,2,0,0,0,0|1,0,0]=3 415 B8R1.7 CC(=O)C1=CC=CS1 NO19387 [0,2,0,0,0,0|1,1,0]=4 416 B8R1.7 CC(=O)C1=CC=NO1 NO15344 [0,2,0,0,0,0|1,0,0]=3 417 B8R1.7 CC(=O)C1=NC=CO1 NO20443 [0,2,0,0,0,0|2,0,0]=4 418 B8R1.7 CC(=O)C1=NNC=C1 NO13441 [0,2,0,0,0,0|2,0,0]=4 419 B8R1.7 CC(=O)C1=NOC=C1 DY116141 [0,2,0,0,0,0|1,0,0]=3 420 B8R1.7 C[C@@H](O)C1=CC=CO1 DY621645 [0,2,0,0,0,0|1,0,1]=4 421 B8R1.7 N=C(N)C1=CC=CO1 DY609169 [0,2,0,0,0,0|2,0,0]=4 422 B8R1.7 NC(=O)C1=CC=NO1 DY773817 [0,2,0,0,0,0|1,0,0]=3 423 B8R1.7 NC(=O)C1=NNC=C1 NO12173 [0,2,0,0,0,0|2,0,0]=4 424 B8R1.7 O=C(Cl)C1=CSC=C1 DY786748 [0,2,0,0,0,0|1,1,0]=4 425 B8R1.7 O=C(O)C1=CC=CN1 NO17766 [0,2,0,0,0,0|2,0,0]=4 426 B8R1.7 O=C(O)C1=CC=CO1 NO16202 [0,2,0,0,0,0|1,0,0]=3 427 B8R1.7 O=C(O)C1=CC=NO1 NO15566 [0,2,0,0,0,0|1,0,0]=3 428 B8R1.7 O=C(O)C1=CNC=C1 NO16294 [0,2,0,0,0,0|2,0,0]=4 429 B8R1.7 O=C(O)C1=COC=C1 NO14540 [0,2,0,0,0,0|1,0,0]=3 430 B8R1.7 O=C(O)C1=CSC=C1 NO22727 [0,2,0,0,0,0|1,1,0]=4 431 B8R1.7 O=C(O)C1=NNC=C1 NO18779 [0,2,0,0,0,0|2,0,0]=4 432 B8R1.7 O=C(O)C1=NOC=C1 NO18235 [0,2,0,0,0,0|1,0,0]=3 433 B8R1.7 O=C(O)C1=NON=C1 NO20479 [0,2,0,0,0,0|2,0,0]=4 434 B8R1.7 O=C(O)C1=NSC=C1 DY113170 [0,2,0,0,0,0|1,1,0]=4 435 B8R1.7 O=C(O)C1C=CCO1 DY788385 [0,2,0,0,0,0|1,0,1]=4 436 B8R1.7 O=[N+]([O-])C1=CC=CN1 NO13256 [0,2,0,0,0,0|2,0,0]=4 437 B8R1.7 O=[N+]([O-])C1=CC=NN1 NO19890 [0,2,0,0,0,0|2,0,0]=4 438 B8R1.7 O=[N+]([O-])C1=CNC=C1 NO22386 [0,2,0,0,0,0|2,0,0]=4 439 B8R1.7 OB(O)C1=CC=CO1 NO22587 [0,2,0,0,0,0|1,0,1]=4 440 B8R1.7 OB(O)C1=NOC=C1 DY520197 [0,2,0,0,0,0|1,0,1]=4 441 B8R1.8 CSCC1=CC=CO1 DY523785 [0,2,0,0,0,0|1,1,0]=4 442 B8R1.8 O=CCC1=CC=CS1 NO17423 [0,2,0,0,0,0|1,1,0]=4 443 B8R1.11 CC1=C(C=O)C=CO1 DY759980 [0,2,0,0,0,0|1,0,0]=3 444 B8R1.11 CC1=CSC=C1C=O DY570849 [0,2,0,0,0,0|1,1,0]=4 445 B8R1.11 CC1=NOC=C1CN DY773325 [0,2,0,0,0,0|2,0,0]=4 446 B8R1.11 CC1=NOC=C1CO DY773595 [0,2,0,0,0,0|2,0,0]=4 447 B8R1.11 CN1N=CC=C1C=O NO18205 [0,2,0,0,0,0|2,0,0]=4 448 B8R1.11 NC1=C(C=O)SC=C1 NO14842 [0,2,0,0,0,0|1,1,0]=4 449 B8R1.11 O=C1OCC=C1CO DY759542 [0,2,0,0,0,0|1,0,0]=3 450 B8R1.11 O=CC1=C(Br)C=CS1 NO17288 [0,2,0,0,0,0|1,1,0]=4 451 B8R1.11 O=CC1=C(F)C=CS1 DY429390 [0,2,0,0,0,0|1,1,0]=4 452 B8R1.11 O=CC1=CSC=C1Br DY441264 [0,2,0,0,0,0|1,1,0]=4 453 B8R1.11 O=CC1=NNC=C1Br DY546495 [0,2,0,0,0,0|2,0,0]=4 454 B8R1.18 CC1=C(C)OC(=O)O1 NO18029 [0,2,0,0,0,0|2,0,0]=4 455 B8R1.18 CC1=CC(=O)N(C)N1 NO18184 [0,2,0,0,0,0|2,0,0]=4 456 B8R1.18 CC1=CC(=O)OC1O NO22773 [0,2,0,0,0,0|1,0,0]=3 457 B8R1.18 CC1=CC(Br)OC1=O DY557997 [0,2,0,0,0,0|1,0,0]=3 458 B8R1.18 CC1=C[C@@H](O)NC1=O DY557289 [0,2,0,0,0,0|2,0,0]=4 459 B8R1.50 CC1=C(C)C(=O)N=N1 DY566079 [0,2,0,0,0,0|2,0,0]=4 460 B8R1.50 CC1=C(C)C(N)=NO1 NO13675 [0,2,0,0,0,0|2,0,0]=4 461 B8R1.50 CC1=C(O)C(=O)CC1 NO16508 [0,2,0,0,0,0|2,0,0]=4 462 B8R1.50 CC1=NOC(C)=C1I NO17867 [0,2,0,0,0,0|2,0,0]=4 463 B8R1.50 O=C1OCC(Br)=C1Br DY525615 [0,2,0,0,0,0|1,0,0]=3 464 B8R1.50 O=C1SSC(Cl)=C1Cl DY510278 [0,2,0,0,0,0|0,2,0]=4