0 B7R1.2 BrC1=CC(Br)=NN1 D61879 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 CC1=CC(=O)CC1 M22783 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.2 CC1=CC(=O)CO1 M41117 [0,0,0,0,0,0|0,0,0]=0 3 B7R1.2 CC1=CC(=O)NN1 M12010 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.2 CC1=CC(=O)NO1 M68379 [0,0,0,0,0,0|1,0,0]=1 5 B7R1.2 CC1=CC(Br)=CS1 B40867 [0,0,0,0,0,0|1,1,1]=3 6 B7R1.2 CC1=CC(Br)=NN1 B9765 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 CC1=CC(Br)=NO1 B2183 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.2 CC1=CC(C)=NO1 D39182 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.2 CC1=CC(Cl)=NN1 C7548 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 CC1=CC(I)=NN1 I26594 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 CC1=CC(N)=NN1 A11614 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 CC1=CC(N)=NO1 A12655 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.2 CC1=CC=C(Br)O1 B41015 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 CC1=CC=C(Br)S1 B40865 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.2 CC1=CC=C(C)S1 D43320 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.2 CC1=CC=C(I)S1 K40868 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.2 CC1=CN(C)N=C1 D69464 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.2 CC1=CN(C)N=N1 D40221 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.2 CC1=CN=C(Br)S1 B40104 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.2 CC1=CN=C(C)S1 D38993 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.2 CC1=CN=C(Cl)S1 C1978 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.2 CC1=CN=C(N)S1 A69715 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.2 CC1=CN=C(N)S1 M69725 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.2 CC1=CNC(Br)=N1 B40115 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.2 CC1=CNC(C)=N1 D41187 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.2 CC1=CNC(I)=N1 K40123 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.2 CC1=COC(N)=N1 A2053 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.2 CC1=CSC(Br)=N1 B2087 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.2 CC1=CSC(C)=N1 D41174 [0,0,0,0,0,0|2,1,1]=4 30 B7R1.2 CC1=CSC(N)=C1 A0597 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.2 CC1=NC(Br)=CN1 B2121 [0,0,0,0,0,0|3,0,1]=4 32 B7R1.2 CC1=NC(Br)=CS1 B2069 [0,0,0,0,0,0|2,1,1]=4 33 B7R1.2 CC1=NC(N)=NO1 M39856 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.2 CC1=NC=C(Br)S1 B5222 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.2 CC1=NC=C(I)N1 K40124 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.2 CC1=NC=C(N)S1 M40189 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.2 CC1=NN=C(Br)O1 B62443 [0,0,0,0,0,0|4,0,0]=4 38 B7R1.2 CC1=NN=C(Br)S1 B39816 [0,0,0,0,0,0|4,0,0]=4 39 B7R1.2 CC1=NN=C(C)N1 D0366 [0,0,0,0,0,0|4,0,0]=4 40 B7R1.2 CC1=NN=C(C)O1 D13454 [0,0,0,0,0,0|4,0,0]=4 41 B7R1.2 CC1=NN=C(N)O1 M5216 [0,0,0,0,0,0|4,0,0]=4 42 B7R1.2 CC1=NN=C(N)S1 A39857 [0,0,0,0,0,0|4,0,0]=4 43 B7R1.2 CC1=NNC(=O)C1 M68628 [0,0,0,0,0,0|2,0,1]=3 44 B7R1.2 CC1=NNC(=O)O1 M39837 [0,0,0,0,0,0|3,0,0]=3 45 B7R1.2 CC1=NNC(=S)O1 M62067 [0,0,0,0,0,0|3,1,0]=4 46 B7R1.2 CC1=NNC(=S)S1 M68580 [0,0,0,0,0,0|3,1,0]=4 47 B7R1.2 CC1=NNC(Br)=C1 B40114 [0,0,0,0,0,0|3,0,0]=3 48 B7R1.2 CC1=NNC(I)=C1 K40122 [0,0,0,0,0,0|3,0,0]=3 49 B7R1.2 CC1=NNC(N)=C1 M40220 [0,0,0,0,0,0|3,0,0]=3 50 B7R1.2 CC1=NNC(O)=C1 M0907 [0,0,0,0,0,0|2,0,1]=3 51 B7R1.2 CC1=NOC(N)=C1 A37936 [0,0,0,0,0,0|3,0,0]=3 52 B7R1.2 CC1=NSC(Br)=N1 B39817 [0,0,0,0,0,0|4,0,0]=4 53 B7R1.2 CC1=NSC(Cl)=N1 C39820 [0,0,0,0,0,0|4,0,0]=4 54 B7R1.2 CC1=NSC(I)=C1 I6114 [0,0,0,0,0,0|3,0,0]=3 55 B7R1.2 CC1=NSC(N)=C1 M65783 [0,0,0,0,0,0|3,0,0]=3 56 B7R1.2 CC1=NSC(N)=N1 A39858 [0,0,0,0,0,0|4,0,0]=4 57 B7R1.2 CN1C=C(Br)C=N1 B7572 [0,0,0,0,0,0|3,0,1]=4 58 B7R1.2 CN1C=C(Br)N=N1 B18663 [0,0,0,0,0,0|4,0,0]=4 59 B7R1.2 CN1C=C(Cl)C=N1 C40119 [0,0,0,0,0,0|3,0,1]=4 60 B7R1.2 CN1C=C(I)C=N1 I23483 [0,0,0,0,0,0|3,0,1]=4 61 B7R1.2 CN1C=C(N)C=N1 A10471 [0,0,0,0,0,0|3,0,1]=4 62 B7R1.2 CN1C=C(N)C=N1 M24961 [0,0,0,0,0,0|3,0,1]=4 63 B7R1.2 CN1C=C(N)C=N1 M40360 [0,0,0,0,0,0|3,0,1]=4 64 B7R1.2 CN1C=C(O)C=N1 M38839 [0,0,0,0,0,0|2,0,2]=4 65 B7R1.2 CN1C=CC(=O)N1 M40182 [0,0,0,0,0,0|3,0,1]=4 66 B7R1.2 CN1C=NC(Br)=C1 B5167 [0,0,0,0,0,0|4,0,0]=4 67 B7R1.2 CN1C=NC(I)=C1 I2146 [0,0,0,0,0,0|4,0,0]=4 68 B7R1.2 CN1C=NC(N)=C1 M38763 [0,0,0,0,0,0|4,0,0]=4 69 B7R1.2 CN1CCC(=O)C1 M5444 [0,0,0,0,0,0|2,0,1]=3 70 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,0,0,0,0,0|2,0,2]=4 71 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,0,0,0,0,0|3,0,1]=4 72 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,0,0,0,0,0|2,0,1]=3 73 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,0,0,0,0,0|3,0,1]=4 74 B7R1.2 IC1=COC(I)=N1 D6541 [0,0,0,0,0,0|3,0,1]=4 75 B7R1.2 NC1=CC(=O)NN1 A0899 [0,0,0,0,0,0|3,0,0]=3 76 B7R1.2 NC1=CC(N)=NN1 P39867 [0,0,0,0,0,0|4,0,0]=4 77 B7R1.2 NC1=CSC(Cl)=C1 A14220 [0,0,0,0,0,0|2,1,1]=4 78 B7R1.2 NC1=CSC(Cl)=C1 A7362 [0,0,0,0,0,0|2,1,1]=4 79 B7R1.2 NC1=NC(=O)CO1 A39836 [0,0,0,0,0,0|2,0,0]=2 80 B7R1.2 NC1=NC(=O)CS1 A2444 [0,0,0,0,0,0|2,1,0]=3 81 B7R1.2 NC1=NC(=O)CS1 A67692 [0,0,0,0,0,0|2,1,0]=3 82 B7R1.2 NC1=NC(=O)NN1 A39769 [0,0,0,0,0,0|4,0,0]=4 83 B7R1.2 NC1=NCC(=O)S1 A64749 [0,0,0,0,0,0|3,0,0]=3 84 B7R1.2 NC1=NNC(=O)C1 A39854 [0,0,0,0,0,0|3,0,1]=4 85 B7R1.2 NC1=NNC(Br)=C1 B9821 [0,0,0,0,0,0|4,0,0]=4 86 B7R1.2 NC1=NNC(Cl)=C1 C10741 [0,0,0,0,0,0|4,0,0]=4 87 B7R1.2 NC1=NNC(F)=C1 F11040 [0,0,0,0,0,0|4,0,0]=4 88 B7R1.2 NC1=NNC(O)=C1 A11039 [0,0,0,0,0,0|3,0,1]=4 89 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,0,0,0,0,0|2,0,2]=4 90 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,0,0,0,0,0|2,0,2]=4 91 B7R1.2 O=C1C=C(Br)CO1 B3416 [0,0,0,0,0,0|2,0,0]=2 92 B7R1.2 O=C1CC(O)=CO1 H1405 [0,0,0,0,0,0|1,0,3]=4 93 B7R1.2 O=C1CCC(=O)C1 C13761 [0,0,0,0,0,0|2,0,1]=3 94 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,0,0,0,0,0|2,0,2]=4 95 B7R1.2 O=C1CNC(=O)N1 K68378 [0,0,0,0,0,0|3,0,0]=3 96 B7R1.2 O=C1CNC(=O)O1 X68377 [0,0,0,0,0,0|3,0,0]=3 97 B7R1.2 O=C1CSC(=O)N1 T69276 [0,0,0,0,0,0|2,1,0]=3 98 B7R1.2 O=C1CSC(=S)N1 T68348 [0,0,0,0,0,0|2,1,0]=3 99 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,0,0,0,0,0|3,0,1]=4 100 B7R1.2 OC1=NSC(Cl)=C1 C37755 [0,0,0,0,0,0|2,1,1]=4 101 B6R1.2 BrC1=CC=CS1 B69329 [1,0,0,0,0,0|1,1,1]=4 102 B6R1.2 BrC1=CC=NN1 B10788 [1,0,0,0,0,0|3,0,0]=4 103 B6R1.2 BrC1=CC=NN1 B37723 [1,0,0,0,0,0|3,0,0]=4 104 B6R1.2 BrC1=COC=C1 B40068 [1,0,0,0,0,0|1,0,1]=3 105 B6R1.2 BrC1=CON=C1 B39813 [1,0,0,0,0,0|2,0,1]=4 106 B6R1.2 BrC1=CSC=C1 B39148 [1,0,0,0,0,0|1,1,1]=4 107 B6R1.2 BrC1=NOC=C1 B37012 [1,0,0,0,0,0|2,0,0]=3 108 B6R1.2 BrC1=NSC=C1 B39811 [1,0,0,0,0,0|2,1,0]=4 109 B6R1.2 CC1=CC=CN1 M37933 [1,0,0,0,0,0|1,0,1]=3 110 B6R1.2 CC1=CC=CS1 M39179 [1,0,0,0,0,0|0,1,1]=3 111 B6R1.2 CC1=CC=NO1 M24354 [1,0,0,0,0,0|1,0,0]=2 112 B6R1.2 CC1=CN=CS1 M40166 [1,0,0,0,0,0|1,1,1]=4 113 B6R1.2 CC1=CNC=C1 M14657 [1,0,0,0,0,0|2,0,0]=3 114 B6R1.2 CC1=COC=N1 M13405 [1,0,0,0,0,0|2,0,1]=4 115 B6R1.2 CC1=CSC=N1 M24933 [1,0,0,0,0,0|2,0,1]=4 116 B6R1.2 CC1=NC=CS1 M40165 [1,0,0,0,0,0|1,1,1]=4 117 B6R1.2 CC1=NCCC1 M41239 [1,0,0,0,0,0|1,0,2]=4 118 B6R1.2 CC1=NN=CN1 M15832 [1,0,0,0,0,0|3,0,0]=4 119 B6R1.2 CC1=NN=CO1 M32022 [1,0,0,0,0,0|2,0,1]=4 120 B6R1.2 CC1=NNC=C1 M36663 [1,0,0,0,0,0|2,0,0]=3 121 B6R1.2 CC1=NOC=C1 M40157 [1,0,0,0,0,0|2,0,0]=3 122 B6R1.2 CC1=NON=C1 M62158 [1,0,0,0,0,0|3,0,0]=4 123 B6R1.2 CN1C=CC=N1 M12066 [1,0,0,0,0,0|2,0,1]=4 124 B6R1.2 CN1C=CN=C1 M68061 [1,0,0,0,0,0|3,0,0]=4 125 B6R1.2 CN1C=CN=N1 M38094 [1,0,0,0,0,0|3,0,0]=4 126 B6R1.2 ClC1=CC=NN1 C10789 [1,0,0,0,0,0|3,0,0]=4 127 B6R1.2 ClC1=CC=NN1 C39819 [1,0,0,0,0,0|3,0,0]=4 128 B6R1.2 ClC1=CSC=C1 C40018 [1,0,0,0,0,0|1,1,1]=4 129 B6R1.2 FC1=CC=NN1 F13459 [1,0,0,0,0,0|3,0,0]=4 130 B6R1.2 IC1=CC=CS1 K39149 [1,0,0,0,0,0|1,1,1]=4 131 B6R1.2 IC1=CC=NN1 K39821 [1,0,0,0,0,0|3,0,0]=4 132 B6R1.2 IC1=CON=C1 K25626 [1,0,0,0,0,0|2,0,1]=4 133 B6R1.2 IC1=CSC=C1 K40019 [1,0,0,0,0,0|1,1,1]=4 134 B6R1.2 IC1=NC=CO1 I11270 [1,0,0,0,0,0|2,0,1]=4 135 B6R1.2 IC1=NNC=C1 I9931 [1,0,0,0,0,0|3,0,0]=4 136 B6R1.2 NC1=CC=NN1 P61114 [1,0,0,0,0,0|3,0,0]=4 137 B6R1.2 NC1=CC=NO1 X67704 [1,0,0,0,0,0|2,0,0]=3 138 B6R1.2 NC1=CC=NS1 T39909 [1,0,0,0,0,0|2,1,0]=4 139 B6R1.2 NC1=COC=N1 X36633 [1,0,0,0,0,0|2,0,1]=4 140 B6R1.2 NC1=CON=C1 A37511 [1,0,0,0,0,0|2,0,1]=4 141 B6R1.2 NC1=CON=C1 K39833 [1,0,0,0,0,0|2,0,1]=4 142 B6R1.2 NC1=CSC=C1 A40167 [1,0,0,0,0,0|1,1,1]=4 143 B6R1.2 NC1=CSC=C1 T10330 [1,0,0,0,0,0|1,1,1]=4 144 B6R1.2 NC1=CSC=C1 T64858 [1,0,0,0,0,0|1,1,1]=4 145 B6R1.2 NC1=NC=CO1 O5740 [1,0,0,0,0,0|2,0,1]=4 146 B6R1.2 NC1=NNC=C1 A1108 [1,0,0,0,0,0|3,0,0]=4 147 B6R1.2 NC1=NOC=C1 I0613 [1,0,0,0,0,0|2,0,0]=3 148 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,0,0,0|1,0,0]=2 149 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,0,0,0|1,0,0]=2 150 B6R1.2 O=C1C=CNN1 P32282 [1,0,0,0,0,0|2,0,0]=3 151 B6R1.2 O=C1C=CSN1 T60536 [1,0,0,0,0,0|1,1,0]=3 152 B6R1.2 O=C1CC=CC1 C19712 [1,0,0,0,0,0|1,0,1]=3 153 B6R1.2 O=C1CC=NN1 P39834 [1,0,0,0,0,0|2,0,1]=4 154 B6R1.2 O=C1CCNC1 P0198 [1,0,0,0,0,0|1,0,2]=4 155 B6R1.2 O=C1CCNN1 P39917 [1,0,0,0,0,0|3,0,0]=4 156 B6R1.2 O=C1CCOC1 X0391 [1,0,0,0,0,0|0,0,2]=3 157 B6R1.2 O=C1CCSC1 D10906 [1,0,0,0,0,0|0,1,2]=4 158 B6R1.2 O=C1NC=CN1 K39835 [1,0,0,0,0,0|3,0,0]=4 159 B6R1.2 O=C1NC=CO1 X39828 [1,0,0,0,0,0|2,0,1]=4 160 B6R1.2 OC1=NNC=C1 P24482 [1,0,0,0,0,0|2,0,1]=4 161 B8R1.1 CC1=CC(C#N)=NN1 M9814 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.1 CC1=CC(C=O)=CS1 M29797 [0,1,0,0,0,0|0,1,1]=3 163 B8R1.1 CC1=CC(C=O)=NN1 M41030 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.1 CC1=CC(CN)=NO1 M15781 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.1 CC1=CC=C(C=O)N1 M43134 [0,1,0,0,0,0|2,0,1]=4 166 B8R1.1 CC1=CC=C(C=O)S1 M39272 [0,1,0,0,0,0|2,0,1]=4 167 B8R1.1 CC1=CN=C(C=O)S1 M19270 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.1 CC1=COC(C=O)=C1 M13538 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.1 CC1=COC(C=O)=N1 M12937 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.1 CC1=CSC(C=O)=C1 M42959 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.1 CC1=CSC(C=O)=N1 M14992 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.1 CC1=NC(C=O)=CO1 M3278 [0,1,0,0,0,0|1,0,1]=3 173 B8R1.1 CC1=NC(C=O)=CS1 F2075 [0,1,0,0,0,0|1,1,1]=4 174 B8R1.1 CC1=NC(C=O)=NO1 M32392 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.1 CC1=NC(CCl)=NO1 C40128 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.1 CC1=NC(CN)=CO1 M41196 [0,1,0,0,0,0|2,0,1]=4 177 B8R1.1 CC1=NC(CN)=CO1 M41310 [0,1,0,0,0,0|2,0,1]=4 178 B8R1.1 CC1=NC=C(C=O)S1 F2897 [0,1,0,0,0,0|2,0,1]=4 179 B8R1.1 CC1=NN=C(C=O)O1 M36607 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.1 CC1=NOC(C=O)=N1 M36862 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.1 CC1=NOC(CN)=C1 M41364 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.1 CCC1=CC(N)=NO1 E41190 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.1 CCC1=NNC(N)=C1 A9777 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.1 CCC1=NOC(N)=C1 E41189 [0,1,0,0,0,0|3,0,0]=4 185 B8R1.1 CN1C=C(C=O)C=N1 M6127 [0,1,0,0,0,0|2,0,1]=4 186 B8R1.1 CN1C=NC(C=O)=C1 M11287 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.1 COC1=CC(=O)CC1 M61379 [0,1,0,0,0,0|1,0,0]=2 188 B8R1.1 COC1=CC(=O)NC1 M41169 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.1 COC1=CC(N)=NN1 M0643 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.1 COC1=CC(N)=NN1 M13731 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.1 COC1=CC(N)=NO1 M40185 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.1 ClCC1=CC(Br)=NO1 B2105 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.1 NC1=NNC(CO)=C1 A14738 [0,1,0,0,0,0|3,0,0]=4 194 B8R1.1 NCC1=CC(Br)=CS1 B41112 [0,1,0,0,0,0|1,1,1]=4 195 B8R1.1 NCC1=CSC(Br)=C1 B16484 [0,1,0,0,0,0|3,0,0]=4 196 B8R1.1 NCC1=CSC(Cl)=C1 C7665 [0,1,0,0,0,0|3,0,0]=4 197 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,1,0,0,0,0|2,0,1]=4 198 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,1,0,0,0,0|2,0,1]=4 199 B8R1.1 O=C1C=C(CBr)CO1 B31582 [0,1,0,0,0,0|2,0,0]=3 200 B8R1.1 O=C1C=C(CI)CO1 I6261 [0,1,0,0,0,0|2,0,0]=3 201 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,1,0,0,0,0|1,0,1]=3 202 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,1,0,0,0,0|2,0,1]=4 203 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,1,0,0,0,0|2,0,1]=4 204 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,0,0,0|2,0,1]=4 205 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,1,0,0,0,0|2,0,1]=4 206 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,0,0,0|2,0,1]=4 207 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,1,0,0,0,0|2,0,1]=4 208 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,0,0,0|2,0,1]=4 209 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,0,0,0|2,0,1]=4 210 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,0,0,0|2,0,1]=4 211 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,0,0,0|2,0,1]=4 212 B8R1.1 O=C1NN=C(CCl)N1 C39844 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.1 O=CC1=CC(Br)=CN1 B38751 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.1 O=CC1=CC(Br)=CO1 B13537 [0,1,0,0,0,0|1,0,2]=4 215 B8R1.1 O=CC1=CC(Br)=CS1 B12758 [0,1,0,0,0,0|3,0,0]=4 216 B8R1.1 O=CC1=CC(Cl)=CN1 C14574 [0,1,0,0,0,0|3,0,0]=4 217 B8R1.1 O=CC1=CC(Cl)=CS1 C12489 [0,1,0,0,0,0|3,0,0]=4 218 B8R1.1 O=CC1=CC(I)=CN1 K40861 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.1 O=CC1=CC(I)=CS1 K40696 [0,1,0,0,0,0|3,0,0]=4 220 B8R1.1 O=CC1=CSC(Br)=C1 B12754 [0,1,0,0,0,0|1,1,1]=4 221 B8R1.1 O=CC1=CSC(Cl)=C1 C1739 [0,1,0,0,0,0|1,1,1]=4 222 B8R1.1 OCC1=CC(Br)=CS1 B12759 [0,1,0,0,0,0|1,1,1]=4 223 B8R1.1 OCC1=CC(Br)=NO1 B2177 [0,1,0,0,0,0|2,0,0]=3 224 B8R1.1 OCC1=CC(Cl)=CS1 C7722 [0,1,0,0,0,0|1,1,1]=4 225 B8R1.1 OCC1=CSC(Cl)=C1 C7721 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.18 CC1=C(Br)SC(Br)=C1 D40697 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.18 CC1=C(Cl)SC(Cl)=C1 D40698 [0,1,0,0,0,0|3,0,0]=4 229 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,1,0,0,0,0|1,0,0]=2 230 B8R1.18 CC1=CC(=O)OC1=O C60582 [0,1,0,0,0,0|2,0,0]=3 231 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,1,0,0,0,0|2,0,0]=3 232 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,1,0,0,0,0|0,0,0]=1 233 B8R1.18 CC1=CC(Br)=NN1C B41126 [0,1,0,0,0,0|3,0,0]=4 234 B8R1.18 CC1=CC(C)=NN1C T41425 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.18 CC1=CC(Cl)=NN1C C41128 [0,1,0,0,0,0|3,0,0]=4 236 B8R1.18 CC1=CC(N)=NN1C D41245 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [0,1,0,0,0,0|2,0,1]=4 238 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [0,1,0,0,0,0|2,0,1]=4 239 B8R1.18 CC1=NN(C)C(Br)=C1 B27171 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.18 CC1=NN(C)C(Br)=C1 B2989 [0,1,0,0,0,0|3,0,0]=4 241 B8R1.18 CC1=NN(C)C(N)=C1 D1041 [0,1,0,0,0,0|3,0,0]=4 242 B8R1.18 CC1=NN(C)C(O)=C1 D9461 [0,1,0,0,0,0|2,0,1]=4 243 B8R1.18 CN1SC(Cl)=CC1=O C69553 [0,1,0,0,0,0|2,1,0]=4 244 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.18 NN1CC(=O)NC1=O A39913 [0,1,0,0,0,0|3,0,0]=4 247 B8R1.18 O=C1C=C(Br)C(=O)O1 B69515 [0,1,0,0,0,0|2,0,1]=4 248 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C40066 [0,1,0,0,0,0|2,0,0]=3 249 B8R1.50 CC1=C(Br)C(=O)NN1 B40127 [0,1,0,0,0,0|2,0,0]=3 250 B8R1.50 CC1=C(C)C(N)=NN1 D26412 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.50 CC1=C(C)C(N)=NO1 D1375 [0,1,0,0,0,0|2,0,0]=3 252 B8R1.50 CC1=C(I)C(I)=NN1 D40072 [0,1,0,0,0,0|3,0,0]=4 253 B8R1.50 CC1=NNC(=O)[C@H]1Br B40126 [0,1,0,0,0,0|2,0,1]=4 254 B8R1.50 CC1=NNC(C)=C1Br B39180 [0,1,0,0,0,0|3,0,0]=4 255 B8R1.50 CC1=NNC(C)=C1I D41133 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.50 CC1=NNC(Cl)=C1N C12419 [0,1,0,0,0,0|3,0,0]=4 257 B8R1.50 CC1=NOC(C)=C1Br B7571 [0,1,0,0,0,0|2,0,0]=3 258 B8R1.50 CC1=NOC(C)=C1I D39177 [0,1,0,0,0,0|2,0,0]=3 259 B8R1.50 CC1=NOC(N)=C1Br B67364 [0,1,0,0,0,0|3,0,0]=4 260 B8R1.50 CC1=NOC(N)=C1Cl C64997 [0,1,0,0,0,0|3,0,0]=4 261 B8R1.50 CC1C(=O)CCC1=O M25293 [0,1,0,0,0,0|2,0,1]=4 262 B8R1.50 CN1C(=O)CSC1=O M40160 [0,1,0,0,0,0|2,1,0]=4 263 B8R1.50 CN1C(=O)CSC1=S M29859 [0,1,0,0,0,0|2,1,0]=4 264 B8R1.50 O=C1CCC(=O)N1Br B37031 [0,1,0,0,0,0|3,0,0]=4 265 B8R1.50 O=C1CCC(=O)N1I I1787 [0,1,0,0,0,0|3,0,0]=4 266 B8R1.50 O=C1CCC(=O)N1O H68064 [0,1,0,0,0,0|3,0,0]=4 267 B8R1.50 O=C1OCC(Br)=C1Br D2821 [0,1,0,0,0,0|2,0,0]=3 268 B8R1.51 C=C1COC(C)(C)O1 D8451 [0,1,0,0,0,0|2,0,1]=4 269 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,1,0,0,0,0|2,0,1]=4 270 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,1,0,0,0,0|2,0,1]=4 271 B6R0.1 CC=CC(=O)CC H41457 [0,0,1,0,0,0|1,0,0]=2 272 B6R0.1 CCOC(=O)CN G69291 [0,0,1,0,0,0|2,0,1]=4 273 B6R0.1 CCOC(=O)CO E37817 [0,0,1,0,0,0|1,0,1]=3 274 B6R0.1 COC(=O)\C=C/Br B3417 [0,0,1,0,0,0|2,0,0]=3 275 B6R0.1 COC(=O)\C=C/I I2748 [0,0,1,0,0,0|2,0,0]=3 276 B6R0.1 COC(=O)\C=C\I M40173 [0,0,1,0,0,0|2,0,0]=3 277 B6R0.2 CC(=O)C=C(C)N A41256 [0,0,1,0,0,0|1,0,0]=2 278 B6R0.2 CC(=O)NC(C)C P40402 [0,0,1,0,0,0|2,0,1]=4 279 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,0,1,0,0,0|2,0,1]=4 280 B6R0.2 CC(C)=CB(O)O D3007 [0,0,1,0,0,0|3,0,0]=4 281 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,0,1,0,0,0|1,0,2]=4 282 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,0,1,0,0,0|1,0,2]=4 283 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,0,1,0,0,0|1,0,2]=4 284 B6R0.4 C=CCCC(=O)O P37823 [0,0,1,0,0,0|2,0,1]=4 285 B6R0.4 C=CCCC(N)=O P5022 [0,0,1,0,0,0|2,0,1]=4 286 B6R0.4 CC(=O)OCCBr B67892 [0,0,1,0,0,0|2,0,1]=4 287 B6R0.4 CCCCC(=O)[O-] S38573 [0,0,1,0,0,0|2,0,1]=4 288 B6R0.4 CNCCC(=O)O M40350 [0,0,1,0,0,0|3,0,0]=4 289 B6R0.4 COCCC(=O)O M40255 [0,0,1,0,0,0|3,0,0]=4 290 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,1,0,0|1,0,2]=4 291 B6R1.4 C[C@@H]1OCC1=O M61882 [0,0,0,0,1,0|0,0,1]=2 292 B6R1.4 C[C@H]1COC1=O M6342 [0,0,0,0,1,0|2,0,1]=4 293 B6R1.5 CC1CC(=O)C1 M17286 [0,0,0,0,1,0|0,0,2]=3 294 B6R1.5 NC1CC(=O)C1 A0660 [0,0,0,0,1,0|1,0,2]=4 295 B6R1.5 O=C1CC(Br)C1 B8012 [0,0,0,0,1,0|1,0,2]=4 296 B6R1.5 O=C1CC(F)C1 F13109 [0,0,0,0,1,0|1,0,2]=4 297 B6R1.5 O=C1CC(O)C1 H10121 [0,0,0,0,1,0|1,0,2]=4 298 B8R1.3 CC1=CC=C(C)N=N1 D43182 [0,0,0,0,0,1|3,0,0]=4 299 B8R1.3 CC1=CC=C(I)C=C1 K68149 [0,0,0,0,0,1|2,0,1]=4 300 B8R1.3 CC1=CC=C(N)N=N1 A0340 [0,0,0,0,0,1|3,0,0]=4 301 B8R1.3 CC1=CC=C([Mg+])C=C1 M31731 [0,0,0,0,0,1|2,0,1]=4 302 B8R1.3 CC1=CN=C(Br)C=C1 B4672 [0,0,0,0,0,1|2,0,1]=4 303 B8R1.3 CC1=CN=C(Br)C=N1 B14614 [0,0,0,0,0,1|2,0,1]=4 304 B8R1.3 CC1=CN=C(Br)N=C1 B67690 [0,0,0,0,0,1|3,0,0]=4 305 B8R1.3 CC1=CN=C(Cl)C=C1 C21968 [0,0,0,0,0,1|2,0,1]=4 306 B8R1.3 CC1=CN=C(Cl)C=N1 C40876 [0,0,0,0,0,1|2,0,1]=4 307 B8R1.3 CC1=CN=C(Cl)N=C1 C4929 [0,0,0,0,0,1|3,0,0]=4 308 B8R1.3 CC1=CN=C(F)C=C1 F22553 [0,0,0,0,0,1|2,0,1]=4 309 B8R1.3 CC1=CN=C(N)C=C1 M20542 [0,0,0,0,0,1|2,0,1]=4 310 B8R1.3 CC1=CN=C(N)C=N1 M14592 [0,0,0,0,0,1|2,0,1]=4 311 B8R1.3 CC1=CN=C(N)N=C1 A0080 [0,0,0,0,0,1|3,0,0]=4 312 B8R1.3 CC1=CN=C(N)N=C1 M38708 [0,0,0,0,0,1|3,0,0]=4 313 B8R1.3 CC1=CN=C(O)C=C1 M63706 [0,0,0,0,0,1|1,0,2]=4 314 B8R1.3 CC1=CNC(=O)C=C1 M68372 [0,0,0,0,0,1|1,0,1]=3 315 B8R1.3 CC1=CNC(=O)C=N1 M68091 [0,0,0,0,0,1|1,0,1]=3 316 B8R1.3 CC1=NC=C(Br)C=C1 B5402 [0,0,0,0,0,1|2,0,1]=4 317 B8R1.3 CC1=NC=C(Br)C=N1 B0659 [0,0,0,0,0,1|2,0,1]=4 318 B8R1.3 CC1=NC=C(Cl)C=C1 C42845 [0,0,0,0,0,1|2,0,1]=4 319 B8R1.3 CC1=NC=C(Cl)C=N1 C40879 [0,0,0,0,0,1|2,0,1]=4 320 B8R1.3 CC1=NC=C(F)C=C1 F1117 [0,0,0,0,0,1|2,0,1]=4 321 B8R1.3 CC1=NC=C(F)C=N1 F40883 [0,0,0,0,0,1|2,0,1]=4 322 B8R1.3 CC1=NC=C(I)C=C1 I36966 [0,0,0,0,0,1|2,0,1]=4 323 B8R1.3 CC1=NC=C(N)C=C1 A1121 [0,0,0,0,0,1|2,0,1]=4 324 B8R1.3 CC1=NC=C(N)C=N1 A10293 [0,0,0,0,0,1|2,0,1]=4 325 B8R1.3 CC1=NC=C(O)C=C1 H4553 [0,0,0,0,0,1|1,0,2]=4 326 B8R1.3 CC1=NC=C(O)C=N1 M23235 [0,0,0,0,0,1|1,0,2]=4 327 B8R1.3 CC1=NN=C(Br)C=C1 B10633 [0,0,0,0,0,1|3,0,0]=4 328 B8R1.3 CC1=NN=C(Cl)C=C1 C3219 [0,0,0,0,0,1|3,0,0]=4 329 B8R1.3 CC1=NN=C(I)C=C1 I10435 [0,0,0,0,0,1|3,0,0]=4 330 B8R1.3 CC1=NNC(=O)C=C1 M0242 [0,0,0,0,0,1|2,0,0]=3 331 B8R1.3 CC1=NNC(=O)C=C1 M25029 [0,0,0,0,0,1|2,0,0]=3 332 B8R1.3 CC1=NNC(=O)C=C1 M41309 [0,0,0,0,0,1|2,0,0]=3 333 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,0,0,0,0,1|2,0,0]=3 334 B8R1.3 CC1CCC(=O)CC1 M39288 [0,0,0,0,0,1|1,0,2]=4 335 B8R1.3 CN1CCC(=O)CC1 M28326 [0,0,0,0,0,1|2,0,1]=4 336 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,0,0,0,0,1|1,0,2]=4 337 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,0,0,0,0,1|1,0,2]=4 338 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,0,0,0,0,1|1,0,2]=4 339 B8R1.3 NC1=NNC(=O)C=C1 A40132 [0,0,0,0,0,1|3,0,0]=4 340 B8R1.3 O=C1C=CC(Br)=NN1 B38928 [0,0,0,0,0,1|3,0,0]=4 341 B8R1.3 O=C1C=CC(Cl)=CN1 C68182 [0,0,0,0,0,1|2,0,1]=4 342 B8R1.3 O=C1C=CC(I)=CN1 K40860 [0,0,0,0,0,1|2,0,1]=4 343 B8R1.3 O=C1C=CC(O)=CN1 H67757 [0,0,0,0,0,1|2,0,1]=4 344 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,0,0,0,0,1|2,0,1]=4 345 B8R1.3 O=C1CNC(=O)CN1 P61806 [0,0,0,0,0,1|2,0,1]=4 346 B8R1.3 O=C1COC(=O)CO1 D40112 [0,0,0,0,0,1|1,0,1]=3 347 B8R1.3 O=C1N=CC(Cl)=CN1 C69555 [0,0,0,0,0,1|3,0,0]=4 348 B8R1.3 O=C1N=CC(F)=CN1 F68054 [0,0,0,0,0,1|3,0,0]=4 349 B8R1.3 O=C1N=CC(I)=CN1 K40045 [0,0,0,0,0,1|3,0,0]=4 350 B8R1.4 CC1=CC(=O)NC=N1 M41027 [0,0,0,0,0,1|1,0,1]=3 351 B8R1.4 CC1=CC(=O)NN=C1 M5789 [0,0,0,0,0,1|2,0,0]=3 352 B8R1.4 CC1=CC(=S)NC=N1 M41054 [0,0,0,0,0,1|1,1,1]=4 353 B8R1.4 CC1=CC(Br)=CN=C1 B10806 [0,0,0,0,0,1|2,0,1]=4 354 B8R1.4 CC1=CC(Br)=NC=C1 B5404 [0,0,0,0,0,1|2,0,1]=4 355 B8R1.4 CC1=CC(Br)=NC=N1 B40871 [0,0,0,0,0,1|2,0,1]=4 356 B8R1.4 CC1=CC(C)=NC=N1 D7855 [0,0,0,0,0,1|2,0,1]=4 357 B8R1.4 CC1=CC(Cl)=CN=C1 C22076 [0,0,0,0,0,1|2,0,1]=4 358 B8R1.4 CC1=CC(Cl)=NC=C1 C4515 [0,0,0,0,0,1|2,0,1]=4 359 B8R1.4 CC1=CC(Cl)=NC=N1 C11796 [0,0,0,0,0,1|2,0,1]=4 360 B8R1.4 CC1=CC(Cl)=NN=C1 C2948 [0,0,0,0,0,1|3,0,0]=4 361 B8R1.4 CC1=CC(F)=CN=C1 F42848 [0,0,0,0,0,1|2,0,1]=4 362 B8R1.4 CC1=CC(N)=NC=C1 M67573 [0,0,0,0,0,1|2,0,1]=4 363 B8R1.4 CC1=CC(N)=NC=N1 M8922 [0,0,0,0,0,1|2,0,1]=4 364 B8R1.4 CC1=CC(O)=CN=C1 H23648 [0,0,0,0,0,1|1,0,2]=4 365 B8R1.4 CC1=CC(O)=NC=C1 M18825 [0,0,0,0,0,1|1,0,2]=4 366 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,0,0,0,0,1|2,0,1]=4 367 B8R1.4 CC1=CC=CC(I)=C1 K68735 [0,0,0,0,0,1|2,0,1]=4 368 B8R1.4 CC1=CC=CC([Mg+])=C1 M31730 [0,0,0,0,0,1|2,0,1]=4 369 B8R1.4 CC1=CN=CC(N)=C1 A4718 [0,0,0,0,0,1|2,0,1]=4 370 B8R1.4 CC1=NC=CC(=O)N1 M41026 [0,0,0,0,0,1|2,0,1]=4 371 B8R1.4 CC1=NC=CC(Br)=C1 B1746 [0,0,0,0,0,1|2,0,1]=4 372 B8R1.4 CC1=NC=CC(Cl)=C1 C42842 [0,0,0,0,0,1|2,0,1]=4 373 B8R1.4 CC1=NC=CC(F)=C1 F67675 [0,0,0,0,0,1|2,0,1]=4 374 B8R1.4 CC1=NC=CC(I)=C1 K42851 [0,0,0,0,0,1|2,0,1]=4 375 B8R1.4 CC1=NC=CC(N)=C1 A12847 [0,0,0,0,0,1|2,0,1]=4 376 B8R1.4 CC1=NC=CC(O)=C1 H1019 [0,0,0,0,0,1|1,0,2]=4 377 B8R1.4 CN1CCCC(=O)C1 M13651 [0,0,0,0,0,1|2,0,1]=4 378 B8R1.4 CN1CCNC(=O)C1 M6975 [0,0,0,0,0,1|2,0,1]=4 379 B8R1.4 CN1CCOC(=O)C1 M41260 [0,0,0,0,0,1|2,0,1]=4 380 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,0,0,0,0,1|1,0,2]=4 381 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,0,0,0,0,1|0,0,2]=3 382 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,0,0,0,0,1|2,0,1]=4 383 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,0,0,0,0,1|1,0,1]=3 384 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,0,0,0,0,1|1,0,2]=4 385 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,0,0,0,0,1|1,0,2]=4 386 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,0,0,0,0,1|1,0,2]=4 387 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,0,0,0,0,1|0,0,2]=3 388 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,0,0,0,0,1|0,0,2]=3 389 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,0,0,0,0,1|2,0,1]=4 390 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,0,0,0,0,1|1,0,2]=4 391 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,0,0,0,0,1|2,0,1]=4 392 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,0,0,0,0,1|2,0,0]=3 393 B8R1.4 NC1=CC(=O)NC=C1 A0052 [0,0,0,0,0,1|2,0,1]=4 394 B8R1.4 NC1=CC(=O)NN=C1 A12960 [0,0,0,0,0,1|3,0,0]=4 395 B8R1.4 O=C1C=C(Br)C=CN1 B11835 [0,0,0,0,0,1|2,0,1]=4 396 B8R1.4 O=C1C=C(Cl)C=NN1 C24776 [0,0,0,0,0,1|3,0,0]=4 397 B8R1.4 O=C1C=C(Cl)N=CN1 C23826 [0,0,0,0,0,1|2,0,1]=4 398 B8R1.4 O=C1C=C(F)C=CN1 F32104 [0,0,0,0,0,1|2,0,1]=4 399 B8R1.4 O=C1C=C(I)C=CN1 K40859 [0,0,0,0,0,1|2,0,1]=4 400 B8R1.4 O=C1C=C(I)C=NN1 I1957 [0,0,0,0,0,1|3,0,0]=4 401 B8R1.4 O=C1C=C(O)C=CN1 H69391 [0,0,0,0,0,1|2,0,1]=4 402 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,0,0,0,0,1|2,0,1]=4 403 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,0,0,0,0,1|3,0,0]=4 404 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,0,0,0,0,1|2,0,1]=4 405 B8R1.4 O=C1CNCC(=O)N1 P10757 [0,0,0,0,0,1|3,0,0]=4 406 B8R1.4 O=C1COCC(=O)C1 P7984 [0,0,0,0,0,1|1,0,1]=3 407 B8R1.4 O=C1CSCC(=O)C1 T15232 [0,0,0,0,0,1|1,1,1]=4 408 B8R1.4 O=C1[CH-]C(=O)COC1 S41303 [0,0,0,0,0,1|1,0,1]=3 409 B5R0.1 C=C(C)CON M40345 [1,0,1,0,0,0|2,0,0]=4 410 B5R0.1 C=C(C)OCC E5573 [1,0,1,0,0,0|0,0,1]=3 411 B5R0.1 CC#CC(=O)O B67945 [1,0,1,0,0,0|0,0,2]=4 412 B5R0.1 CCOC(C)=N E68065 [1,0,1,0,0,0|1,0,1]=4 413 B5R0.1 CN(C)CC=O D39943 [1,0,1,0,0,0|1,0,1]=4 414 B5R0.1 CN(C)NC=O D66358 [1,0,1,0,0,0|2,0,0]=4 415 B5R0.1 CNCC(=O)O M68590 [1,0,1,0,0,0|1,0,1]=4 416 B5R0.1 CNCC(N)=O M68358 [1,0,1,0,0,0|2,0,0]=4 417 B5R0.1 COCC(=N)N M39928 [1,0,1,0,0,0|2,0,0]=4 418 B5R0.1 COCC(=O)O M69331 [1,0,1,0,0,0|1,0,0]=3 419 B5R0.1 NOCC(=O)O C40302 [1,0,1,0,0,0|2,0,0]=4 420 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,1,0,0,0|1,0,0]=3 421 B5R0.2 OC\C=C\CO B64254 [1,0,1,0,0,0|1,0,1]=4 422 B5R0.3 C=CC(=O)NC M37664 [1,0,1,0,0,0|2,0,0]=4 423 B5R0.3 C=C[C@H](C)ON B40346 [1,0,1,0,0,0|1,0,1]=4 424 B5R0.3 C=C[C@H](N)CO A40343 [1,0,1,0,0,0|1,0,1]=4 425 B5R0.3 CCC(=O)CN A32390 [1,0,1,0,0,0|1,0,1]=4 426 B5R0.3 CCC(=O)CO H36713 [1,0,1,0,0,0|0,0,1]=3 427 B5R0.3 CNC(=O)CBr B60913 [1,0,1,0,0,0|2,0,0]=4 428 B5R0.3 CNC(=O)CCl C67921 [1,0,1,0,0,0|2,0,0]=4 429 B5R0.3 COC(=O)CN M69126 [1,0,1,0,0,0|2,0,0]=4 430 B5R0.3 COC(=O)CO M67586 [1,0,1,0,0,0|1,0,0]=3 431 B5R0.3 NNC(=O)CO H32091 [1,0,1,0,0,0|2,0,0]=4 432 B5R1.1 C1=CCNC1 D40328 [2,0,0,0,0,0|1,0,1]=4 433 B5R1.1 C1=COC=N1 X1773 [2,0,0,0,0,0|1,0,1]=4 434 B5R1.1 C1=CSN=C1 T39830 [2,0,0,0,0,0|1,1,0]=4 435 B7R0.2 CC(C)OC(=O)CO I38145 [0,1,1,0,0,0|1,0,1]=4 436 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,1,0,0,0|1,0,1]=4 437 B7R0.2 CCC(=O)OC(C)=O A41227 [0,1,1,0,0,0|2,0,0]=4 438 B7R0.2 COC(=O)C=C(C)C M41461 [0,1,1,0,0,0|2,0,0]=4 439 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,1,1,0,0,0|1,0,1]=4 440 B7R0.2 COC(=O)CC(=O)O M37882 [0,1,1,0,0,0|1,0,1]=4 441 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,1,1,0,0,0|1,0,1]=4 442 B7R0.2 COC(=O)\C=C(\C)N M68908 [0,1,1,0,0,0|2,0,0]=4 443 B7R0.3 COC(=O)C=CCBr M37461 [0,1,1,0,0,0|2,0,0]=4 444 B7R0.3 COC(=O)CNC=O M40228 [0,1,1,0,0,0|1,0,1]=4 445 B7R0.3 COC(=O)\C=C\CBr M41176 [0,1,1,0,0,0|2,0,0]=4 446 B7R0.3 COC=CC(=O)OC M39186 [0,1,1,0,0,0|1,0,1]=4 447 B7R0.3 CO\C=C\C(=O)OC M41228 [0,1,1,0,0,0|1,0,1]=4 448 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,1,1,0,0,0|1,0,1]=4 449 B7R0.7 CCOC(=O)CCO E36682 [0,1,1,0,0,0|1,0,1]=4 450 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,1,1,0,0,0|1,0,1]=4 451 B7R0.7 CCOC(=O)\C=C\I E41181 [0,1,1,0,0,0|2,0,0]=4 452 B7R0.7 COCC(=O)COC D40391 [0,1,1,0,0,0|1,0,1]=4 453 B7R0.10 C=C(CO)C(=O)OC M7022 [0,1,1,0,0,0|2,0,0]=4 454 B7R0.10 CCC(=O)C(=O)CC H41459 [0,1,1,0,0,0|1,0,1]=4 455 B7R0.10 COC(=O)C(=O)CBr M2726 [0,1,1,0,0,0|2,0,0]=4 456 B7R0.4 CCCOCC(=O)O P40387 [0,1,1,0,0,0|1,0,1]=4 457 B7R0.4 NC(=O)COCCCl C40247 [0,1,1,0,0,0|1,0,1]=4 458 B7R0.4 O=C(O)COCCCl C40236 [0,1,1,0,0,0|1,0,1]=4 459 B7R0.6 C=C(Cl)CSC(C)=O C6230 [0,1,1,0,0,0|1,1,0]=4 460 B7R0.6 CC(=O)CCC(C)=O H64912 [0,1,1,0,0,0|1,0,1]=4 461 B7R0.6 CC(=O)CNC(C)=O X41261 [0,1,1,0,0,0|1,0,1]=4 462 B7R1.1 BrCC1=CCCC1 B7551 [1,1,0,0,0,0|1,0,1]=4 463 B7R1.1 BrCC1=CSC=C1 B60823 [1,1,0,0,0,0|2,0,0]=4 464 B7R1.1 COC1=CC=CS1 M41123 [1,1,0,0,0,0|0,1,1]=4 465 B7R1.1 COC1=CSC=C1 M41124 [1,1,0,0,0,0|2,0,0]=4 466 B7R1.1 CSC1=NC=CO1 M40164 [1,1,0,0,0,0|1,0,1]=4 467 B7R1.1 ClCC1=NC=CO1 C40107 [1,1,0,0,0,0|1,0,1]=4 468 B7R1.1 N#CC1=CC=CO1 F40652 [1,1,0,0,0,0|0,0,2]=4 469 B7R1.1 N#CC1=CC=NO1 X67351 [1,1,0,0,0,0|1,0,1]=4 470 B7R1.1 N#CC1=NOC=C1 C14745 [1,1,0,0,0,0|2,0,0]=4 471 B7R1.1 NCC1=CC=CN1 P41359 [1,1,0,0,0,0|1,0,1]=4 472 B7R1.1 NCC1=CC=CS1 A12813 [1,1,0,0,0,0|0,1,1]=4 473 B7R1.1 NCC1=CC=NO1 K40323 [1,1,0,0,0,0|1,0,0]=3 474 B7R1.1 NCC1=CN=CO1 X11178 [1,1,0,0,0,0|1,0,1]=4 475 B7R1.1 NCC1=CN=CO1 X17340 [1,1,0,0,0,0|1,0,1]=4 476 B7R1.1 NCC1=CNC=C1 P26218 [1,1,0,0,0,0|2,0,0]=4 477 B7R1.1 NCC1=CSC=C1 T41357 [1,1,0,0,0,0|2,0,0]=4 478 B7R1.1 NCC1=NNC=C1 P9792 [1,1,0,0,0,0|2,0,0]=4 479 B7R1.1 NCC1=NOC=C1 I29536 [1,1,0,0,0,0|2,0,0]=4 480 B7R1.1 NCC1=NOC=C1 I7943 [1,1,0,0,0,0|2,0,0]=4 481 B7R1.1 NCC1=NSC=C1 I15218 [1,1,0,0,0,0|2,0,0]=4 482 B7R1.1 O=CC1=CC=CN1 P64891 [1,1,0,0,0,0|2,0,0]=4 483 B7R1.1 O=CC1=CC=CS1 T68614 [1,1,0,0,0,0|2,0,0]=4 484 B7R1.1 O=CC1=CC=NO1 K40060 [1,1,0,0,0,0|1,0,1]=4 485 B7R1.1 O=CC1=CCCC1 C69466 [1,1,0,0,0,0|1,0,1]=4 486 B7R1.1 O=CC1=CNC=C1 P25022 [1,1,0,0,0,0|1,0,1]=4 487 B7R1.1 O=CC1=COC=C1 F65465 [1,1,0,0,0,0|0,0,1]=3 488 B7R1.1 O=CC1=CSC=C1 T12697 [1,1,0,0,0,0|0,1,1]=4 489 B7R1.1 O=CC1=NNC=C1 P23454 [1,1,0,0,0,0|2,0,0]=4 490 B7R1.1 O=CC1=NOC=C1 I0114 [1,1,0,0,0,0|1,0,0]=3 491 B7R1.1 OCC1=CC=CS1 T12815 [1,1,0,0,0,0|0,1,1]=4 492 B7R1.1 OCC1=CC=NO1 K40159 [1,1,0,0,0,0|1,0,0]=3 493 B7R1.1 OCC1=CN=CO1 X14033 [1,1,0,0,0,0|1,0,1]=4 494 B7R1.1 OCC1=COC=C1 F41115 [1,1,0,0,0,0|0,0,2]=4 495 B7R1.1 OCC1=CSC=C1 T12827 [1,1,0,0,0,0|2,0,0]=4 496 B7R1.1 OCC1=NC=CO1 X14019 [1,1,0,0,0,0|1,0,1]=4 497 B7R1.1 OCC1=NNC=C1 H7696 [1,1,0,0,0,0|2,0,0]=4 498 B7R1.1 OCC1=NOC=C1 I11321 [1,1,0,0,0,0|1,0,1]=4 499 B7R1.4 CC1=C(Br)C=NN1 B12011 [1,1,0,0,0,0|2,0,0]=4 500 B7R1.4 CC1=C(Br)C=NO1 B40106 [1,1,0,0,0,0|1,0,0]=3 501 B7R1.4 CC1=C(Br)SC=C1 B12699 [1,1,0,0,0,0|2,0,0]=4 502 B7R1.4 CC1=C(Cl)SC=C1 C39173 [1,1,0,0,0,0|2,0,0]=4 503 B7R1.4 CC1=C(N)ON=C1 M40180 [1,1,0,0,0,0|2,0,0]=4 504 B7R1.4 CC1=CC=NN1C D3267 [1,1,0,0,0,0|2,0,0]=4 505 B7R1.4 CC1=CNC=C1C D12050 [1,1,0,0,0,0|2,0,0]=4 506 B7R1.4 CC1=CNN=C1C D22811 [1,1,0,0,0,0|2,0,0]=4 507 B7R1.4 CC1=CNN=C1C D60965 [1,1,0,0,0,0|2,0,0]=4 508 B7R1.4 CC1=CSC=C1Br B40866 [1,1,0,0,0,0|2,0,0]=4 509 B7R1.4 CC1=NNC=C1I K40121 [1,1,0,0,0,0|2,0,0]=4 510 B7R1.4 CC1=NOC=C1N M38991 [1,1,0,0,0,0|2,0,0]=4 511 B7R1.4 CN1NC=CC1=O M40184 [1,1,0,0,0,0|2,0,0]=4 512 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,1,0,0,0,0|0,0,2]=4 513 B7R1.4 O=C1CCC=C1Br B3409 [1,1,0,0,0,0|1,0,0]=3 514 B7R1.4 O=C1CCC=C1O H41119 [1,1,0,0,0,0|1,0,0]=3 515 B7R1.14 O=S1(=O)C=CCC1 D1486 [1,1,0,0,0,0|2,0,0]=4 516 B7R1.14 O=S1(=O)C=CCO1 P39851 [1,1,0,0,0,0|2,0,0]=4 517 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,1,0,0,1,0|1,0,1]=4 518 B7R1.17 CC1(C)CCC1=O D60316 [0,1,0,0,1,0|1,0,1]=4 519 B7R1.10 NCC1CC(=O)C1 SB7355 [0,1,0,0,1,0|0,0,2]=4 520 B7R1.10 O=C1CC(CBr)C1 B11904 [0,1,0,0,1,0|0,0,2]=4 521 B7R1.10 O=C1CC(CO)C1 H0725 [0,1,0,0,1,0|0,0,2]=4 522 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [0,1,0,0,0,1|1,0,1]=4 523 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [0,1,0,0,0,1|1,0,1]=4 524 B9R1.1 CC1=CN=C(C=O)C=N1 M14618 [0,1,0,0,0,1|1,0,1]=4 525 B9R1.1 CC1=CN=C(C=O)N=C1 M11474 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [0,1,0,0,0,1|1,0,1]=4 527 B9R1.1 CC1=NC=C(C=O)C=N1 M12382 [0,1,0,0,0,1|1,0,1]=4 528 B9R1.1 NCC1=CNC(=O)C=C1 A1719 [0,1,0,0,0,1|1,0,1]=4 529 B9R1.1 O=C1C=CC(CO)=CN1 H37111 [0,1,0,0,0,1|1,0,1]=4 530 B9R1.1 O=C1CO[C@@H](CO)CN1 H26506 [0,1,0,0,0,1|0,0,2]=4 531 B9R1.1 O=C1CO[C@@H](CO)CN1 H41263 [0,1,0,0,0,1|0,0,2]=4 532 B9R1.1 O=C1CO[C@H](CO)CN1 H25634 [0,1,0,0,0,1|0,0,2]=4 533 B9R1.10 CC1(C)C=CC(=O)CC1 D47014 [0,1,0,0,0,1|1,0,1]=4 534 B9R1.10 CC1(C)OCC(=O)CO1 D25156 [0,1,0,0,0,1|0,0,2]=4 535 B9R1.69 CC1=C(C)NC(=O)C=N1 D43209 [0,1,0,0,0,1|1,0,1]=4 536 B9R1.69 CC1=CC(=O)NN=C1C D15899 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.69 CC1=CC(C)=NNC1=O D15210 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.69 CC1=CNC(=O)C(C)=N1 D69506 [0,1,0,0,0,1|1,0,1]=4 539 B9R1.69 CC1=CNC(=O)C(Cl)=N1 C40933 [0,1,0,0,0,1|1,0,1]=4 540 B9R1.69 CC1=CNC(=O)C(N)=C1 A43211 [0,1,0,0,0,1|1,0,1]=4 541 B9R1.69 CC1=CNC(=O)NC1=O M24763 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.69 CC1=NNC(=O)C(Br)=C1 B38674 [0,1,0,0,0,1|2,0,0]=4 543 B9R1.69 CC1=NNC(=O)C(N)=C1 A19341 [0,1,0,0,0,1|2,0,0]=4 544 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,1,0,0,0,1|1,0,1]=4 545 B9R1.2 CC1=CC(C=O)=CN=C1 M12908 [0,1,0,0,0,1|1,0,1]=4 546 B9R1.2 CC1=CC(C=O)=NC=C1 M3027 [0,1,0,0,0,1|1,0,1]=4 547 B9R1.2 CC1=NC=CC(C=O)=C1 M36797 [0,1,0,0,0,1|1,0,1]=4 548 B9R1.2 CCC1=CC(=O)NC=N1 E43198 [0,1,0,0,0,1|1,0,1]=4 549 B9R1.2 CCC1=CC(=O)NN=C1 E43197 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.2 COC1=CC(=O)NC=C1 M43139 [0,1,0,0,0,1|1,0,1]=4 551 B9R1.2 COC1=CC(=O)NC=N1 M41034 [0,1,0,0,0,1|1,0,1]=4 552 B9R1.2 COC1=CC(=O)NN=C1 M17895 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.2 NCC1=CC(=O)N=CN1 A0948 [0,1,0,0,0,1|1,0,1]=4 554 B9R1.2 NCC1=CC(=O)NC=C1 A1717 [0,1,0,0,0,1|1,0,1]=4 555 B9R1.2 O=C1C=C(CO)C=CN1 H0460 [0,1,0,0,0,1|1,0,1]=4 556 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [0,1,0,0,0,1|1,0,1]=4 557 B9R1.3 CC1=C(Cl)C(=O)NC=N1 C40936 [0,1,0,0,0,1|1,0,1]=4 558 B9R1.3 CC1=C(I)C(=O)N=CN1 K40947 [0,1,0,0,0,1|1,0,1]=4 559 B9R1.3 O=C1CCCC(O)=C1I H60380 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.34 CC1=CC(=O)C=C(C)N1 D4504 [0,1,0,0,0,1|1,0,1]=4 561 B9R1.34 CC1=CC(=O)NC(=O)N1 M60790 [0,1,0,0,0,1|1,0,1]=4 562 B9R1.34 CC1=CC(=O)NC(N)=N1 A61030 [0,1,0,0,0,1|1,0,1]=4 563 B9R1.34 CC1=CC(=O)NC(O)=C1 H0016 [0,1,0,0,0,1|1,0,1]=4 564 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,1,0,0,0,1|0,0,2]=4 565 B9R1.34 O=C1CC(=O)OC(=O)C1 P40864 [0,1,0,0,0,1|1,0,1]=4 566 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,1,0,0,0,1|0,0,2]=4 567 B9R1.7 OCCC1=CC(Br)=NO1 B2471 [0,2,0,0,0,0|2,0,0]=4 568 B9R1.22 CC1=NN(C)C(C=O)=C1 D3606 [0,2,0,0,0,0|2,0,0]=4 569 B9R1.23 CC1=C(Br)SC(C=O)=C1 B14087 [0,2,0,0,0,0|2,0,0]=4 570 B9R1.35 CC(=O)C1=CNC(C)=C1 M46389 [0,2,0,0,0,0|1,0,1]=4 571 B9R1.35 CC(=O)C1=NNC(C)=C1 M62065 [0,2,0,0,0,0|2,0,0]=4 572 B9R1.35 CC(=O)C1=NOC(C)=C1 M43142 [0,2,0,0,0,0|1,0,0]=3 573 B9R1.35 CC1=CC(C(=O)O)=CN1 M43147 [0,2,0,0,0,0|1,0,1]=4 574 B9R1.35 CC1=CC(C(=O)O)=CS1 M5852 [0,2,0,0,0,0|0,1,1]=4 575 B9R1.35 CC1=CC(C(=O)O)=NN1 M7890 [0,2,0,0,0,0|2,0,0]=4 576 B9R1.35 CC1=CC(C(=O)O)=NO1 M27266 [0,2,0,0,0,0|1,0,0]=3 577 B9R1.35 CC1=CC(C(N)=O)=NO1 M67790 [0,2,0,0,0,0|1,0,0]=3 578 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 M40136 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.35 CC1=NC(C(=O)O)=CO1 M62066 [0,2,0,0,0,0|1,0,1]=4 580 B9R1.35 CC1=NC(C(=O)O)=CO1 M7132 [0,2,0,0,0,0|1,0,1]=4 581 B9R1.35 CC1=NNC([N+](=O)[O-])=C1 M23164 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.35 CC1=NOC(C(=O)O)=C1 M38698 [0,2,0,0,0,0|2,0,0]=4 583 B9R1.35 O=C(O)C1=COC(Br)=C1 B69658 [0,2,0,0,0,0|1,0,1]=4 584 B9R1.132 CC1=CNC(C=O)=C1C D12049 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.132 COC1=C(Br)C(=O)CC1 B61380 [0,2,0,0,0,0|1,0,0]=3 586 B9R1.37 CC1=C(C)C(=O)OC1=O D68903 [0,2,0,0,0,0|2,0,0]=4 587 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [0,2,0,0,0,0|1,0,1]=4 588 B9R1.38 CC1(C)OC(=O)NC1=O D60733 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.27 CC1=NOC(C)=C1C=O D24190 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.27 CC1=NOC(C)=C1CCl C43298 [0,2,0,0,0,0|2,0,0]=4 591 B9R1.27 CC1=NOC(C)=C1CN D41432 [0,2,0,0,0,0|2,0,0]=4 592 B7R1.3 O=C1C=CCCN1 D67780 [0,0,1,1,0,0|2,0,0]=4 593 B7R1.3 O=C1C=CCOC1 P26982 [0,0,1,1,0,0|0,0,0]=2 594 B7R1.3 O=C1CCCOC1 T7026 [0,0,1,1,0,0|0,0,2]=4 595 B7R1.3 O=C1COCCN1 M7700 [0,0,1,1,0,0|1,0,1]=4 596 B7R1.3 O=C1COCCO1 D38663 [0,0,1,1,0,0|1,0,1]=4 597 B7R1.6 COC=C1COC1 M6231 [0,0,1,1,0,0|2,0,0]=4 598 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,0,1,1,0,0|1,0,1]=4 599 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,0,1,1,0,0|1,0,1]=4 600 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,0,1,1,0,0|1,0,1]=4 601 B5R0.5 CC(=O)C(=O)[O-] C43424 [0,0,1,0,1,0|1,0,1]=4 602 B5R0.5 CC(O)C(=O)[O-] C60888 [0,0,1,0,1,0|1,0,1]=4 603 B5R0.5 C[C@@H](O)C(N)=O H68918 [0,0,1,0,1,0|1,0,1]=4 604 B5R0.5 O=C(O)C(=O)O A69569 [0,0,1,0,1,0|2,0,0]=4 605 B5R0.5 O=C(O)C(=O)O E39942 [0,0,1,0,1,0|2,0,0]=4 606 B5R1.2 O=C1CCC1 C8674 [1,0,0,0,1,0|0,0,2]=4 607 B5R1.2 O=C1CNC1 A1318 [1,0,0,0,1,0|1,0,1]=4 608 B5R1.2 O=C1COC1 O4015 [1,0,0,0,1,0|0,0,1]=3 609 B5R1.2 O=C1CSC1 T6026 [1,0,0,0,1,0|0,1,1]=4