0 B5R0.5 C=C(C)C(=C)C 104405 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.5 C=C(C)C(=O)Cl 152770 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.5 C=C(C)C(=O)O 098014 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.5 C=C(C)C(=O)[O-] 461655 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.5 C=C(C)C(C)=O 155400 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.5 C=C(C)C(N)=O 098987 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.5 CC(=O)C(=O)O 168700 [0,0,0,0,0,0|0,0,2]=2 7 B5R0.5 CC(=O)C(=O)[O-] 169520 [0,0,0,0,0,0|0,0,3]=3 8 B5R0.5 CC(=O)C(C)=O 099488 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.5 CC(=O)C(C)C 098965 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.5 CC(=O)C(C)Cl 520345 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.5 CC(=O)C(C)O 449308 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.5 CC(=O)C(F)F 025165 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.5 CC(=O)N(C)C 044923 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.5 CC(=O)N(C)C 103880 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.5 CC(=O)N(C)C 105121 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.5 CC(Br)C(=O)Br BR1124 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.5 CC(Br)C(=O)O BR1120 [0,0,0,0,0,0|1,0,0]=1 18 B5R0.5 CC(Br)C(C)Br 001074 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.5 CC(Br)C(N)=O 222852 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.5 CC(C)=C(C)C 358426 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.5 CC(C)B(O)O 065614 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.5 CC(C)C(=N)N 017191 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.5 CC(C)C(=O)Cl 005019 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.5 CC(C)C(=O)O 099395 [0,0,0,0,0,0|1,0,0]=1 25 B5R0.5 CC(C)C(C)C 101556 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.5 CC(C)C(N)=O 091536 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.5 CC(C)N(C)C 103843 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.5 CC(C)S(=O)[O-] 035599 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.5 CC(C)[N+](=O)[O-] 098355 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.5 CC(Cl)C(=O)Cl 099576 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.5 CC(Cl)C(=O)O 240303 [0,0,0,0,0,0|1,0,0]=1 32 B5R0.5 CC(Cl)C(N)=O 369655 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.5 CC(F)C(=O)O 024847 [0,0,0,0,0,0|1,0,0]=1 34 B5R0.5 CC(N)C(=O)O 094978 [0,0,0,0,0,0|1,0,0]=1 35 B5R0.5 CC(O)C(=O)O 995229 [0,0,0,0,0,0|0,0,0]=0 36 B5R0.5 CC(O)C(=O)[O-] 492494 [0,0,0,0,0,0|0,0,1]=1 37 B5R0.5 CC(O)C(N)=O 341750 [0,0,0,0,0,0|1,0,0]=1 38 B5R0.5 CC(S)C(=O)O 520330 [0,0,0,0,0,0|0,1,0]=1 39 B5R0.5 CN(C)C(=N)N 094628 [0,0,0,0,0,0|4,0,0]=4 40 B5R0.5 CN(C)C(=O)Cl 051099 [0,0,0,0,0,0|3,0,0]=3 41 B5R0.5 CN(C)C(=S)Cl 101947 [0,0,0,0,0,0|3,1,0]=4 42 B5R0.5 CN(C)C(=S)[S-] 180453 [0,0,0,0,0,0|2,2,0]=4 43 B5R0.5 CN(C)C(N)=O 342088 [0,0,0,0,0,0|3,0,0]=3 44 B5R0.5 CN(C)C(N)=S 369470 [0,0,0,0,0,0|3,1,0]=4 45 B5R0.5 C[C@@H](Cl)C(=O)O 019482 [0,0,0,0,0,0|1,0,0]=1 46 B5R0.5 C[C@@H](N)C(=O)O M02932 [0,0,0,0,0,0|1,0,0]=1 47 B5R0.5 C[C@@H](N)C(N)=O 076723 [0,0,0,0,0,0|2,0,0]=2 48 B5R0.5 C[C@@H](O)C(=O)O 208594 [0,0,0,0,0,0|0,0,0]=0 49 B5R0.5 C[C@@H](O)C(=O)[O-] 103154 [0,0,0,0,0,0|0,0,1]=1 50 B5R0.5 C[C@@H](O)C(N)=O 094768 [0,0,0,0,0,0|1,0,0]=1 51 B5R0.5 C[C@@H](O)[C@@H](C)O 044769 [0,0,0,0,0,0|1,0,1]=2 52 B5R0.5 C[C@H](Br)C(=O)O 094052 [0,0,0,0,0,0|1,0,0]=1 53 B5R0.5 C[C@H](Br)[C@@H](C)Br 099264 [0,0,0,0,0,0|3,0,1]=4 54 B5R0.5 C[C@H](Cl)C(=O)O 216004 [0,0,0,0,0,0|1,0,0]=1 55 B5R0.5 C[C@H](N)C(=O)O 080323 [0,0,0,0,0,0|1,0,0]=1 56 B5R0.5 C[C@H](N)C(N)=O 092189 [0,0,0,0,0,0|2,0,0]=2 57 B5R0.5 C[C@H](O)C(=O)O 103316 [0,0,0,0,0,0|0,0,0]=0 58 B5R0.5 C[C@H](O)C(=O)[O-] 448793 [0,0,0,0,0,0|0,0,1]=1 59 B5R0.5 C[C@H](O)[C@@H](C)O 104082 [0,0,0,0,0,0|1,0,1]=2 60 B5R0.5 C[C@H](O)[C@H](C)O 044770 [0,0,0,0,0,0|1,0,1]=2 61 B5R0.5 N=C(N)S(=O)O 358143 [0,0,0,0,0,0|3,0,1]=4 62 B5R0.5 NC(=O)C(=O)O 240454 [0,0,0,0,0,0|1,0,2]=3 63 B5R0.5 NC(=O)C(F)Cl 038384 [0,0,0,0,0,0|3,0,0]=3 64 B5R0.5 NC(=O)C(F)F 033531 [0,0,0,0,0,0|3,0,0]=3 65 B5R0.5 NC(=O)C(N)=O 494123 [0,0,0,0,0,0|2,0,2]=4 66 B5R0.5 O=C(Br)C(=O)Br 099479 [0,0,0,0,0,0|2,0,2]=4 67 B5R0.5 O=C(Cl)C(=O)Cl 003771 [0,0,0,0,0,0|2,0,2]=4 68 B5R0.5 O=C(Cl)C(Cl)Cl 099125 [0,0,0,0,0,0|3,0,0]=3 69 B5R0.5 O=C(O)C(=O)O 094439 [0,0,0,0,0,0|1,0,1]=2 70 B5R0.5 O=C(O)C(=O)O 099499 [0,0,0,0,0,0|1,0,1]=2 71 B5R0.5 O=C(O)C(=O)O 099742 [0,0,0,0,0,0|1,0,1]=2 72 B5R0.5 O=C(O)C(=O)O 099890 [0,0,0,0,0,0|1,0,1]=2 73 B5R0.5 O=C(O)C(=O)O 242472 [0,0,0,0,0,0|1,0,1]=2 74 B5R0.5 O=C(O)C(=O)O 360255 [0,0,0,0,0,0|1,0,1]=2 75 B5R0.5 O=C(O)C(=O)O 492395 [0,0,0,0,0,0|1,0,1]=2 76 B5R0.5 O=C(O)C(Br)Br 103029 [0,0,0,0,0,0|2,0,0]=2 77 B5R0.5 O=C(O)C(Cl)Cl 095059 [0,0,0,0,0,0|2,0,0]=2 78 B5R0.5 O=C(O)C(F)F 001231 [0,0,0,0,0,0|2,0,0]=2 79 B5R0.5 O=C(O)C(F)F 019092 [0,0,0,0,0,0|2,0,0]=2 80 B5R0.5 O=C(O)C(O)O 143700 [0,0,0,0,0,0|1,0,0]=1 81 B5R0.5 O=C([O-])C(=O)[O-] 104091 [0,0,0,0,0,0|1,0,3]=4 82 B5R0.5 O=C([O-])C(=O)[O-] 492462 [0,0,0,0,0,0|1,0,3]=4 83 B5R0.5 O=C([O-])C(Cl)Cl 462644 [0,0,0,0,0,0|2,0,1]=3 84 B5R0.5 O=C([O-])C(F)F 010327 [0,0,0,0,0,0|2,0,1]=3 85 B5R0.5 OB(O)B(O)O 051159 [0,0,0,0,0,0|3,0,1]=4 86 B4R0.1 C#CC(=O)O 167900 [1,0,0,0,0,0|0,0,2]=3 87 B4R0.1 C#CC(C)=O 009078 [1,0,0,0,0,0|1,0,2]=4 88 B4R0.1 C#CC(C)C 155700 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.1 C#CC(C)O 117510 [1,0,0,0,0,0|1,0,1]=3 90 B4R0.1 C#C[C@@H](C)O 093946 [1,0,0,0,0,0|1,0,1]=3 91 B4R0.1 C#C[C@H](C)O 103262 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.1 C=C(C)C=O 533380 [1,0,0,0,0,0|1,0,1]=3 93 B4R0.1 C=C(C)CBr 067665 [1,0,0,0,0,0|3,0,0]=4 94 B4R0.1 C=C(C)CCl 094695 [1,0,0,0,0,0|3,0,0]=4 95 B4R0.1 C=C(C)CO 358232 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.1 C=C(C)CS 038481 [1,0,0,0,0,0|2,1,0]=4 97 B4R0.1 C=C(C)OC 032479 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.1 C=C(Cl)CCl 003399 [1,0,0,0,0,0|3,0,0]=4 99 B4R0.1 C=CC(=O)O 099597 [1,0,0,0,0,0|0,0,2]=3 100 B4R0.1 C=CC(C)=O 099068 [1,0,0,0,0,0|1,0,2]=4 101 B4R0.1 C=CC(C)Cl 099655 [1,0,0,0,0,0|2,0,0]=3 102 B4R0.1 C=CC(C)O 099331 [1,0,0,0,0,0|1,0,0]=2 103 B4R0.1 C=CC(N)=O 047867 [1,0,0,0,0,0|1,0,2]=4 104 B4R0.1 C=CC(N)=O 104581 [1,0,0,0,0,0|1,0,2]=4 105 B4R0.1 CC(=O)C=O 069255 [1,0,0,0,0,0|0,0,2]=3 106 B4R0.1 CC(=O)CCl 099980 [1,0,0,0,0,0|2,0,0]=3 107 B4R0.1 CC(=O)CN 078537 [1,0,0,0,0,0|2,0,0]=3 108 B4R0.1 CC(=O)CO 097598 [1,0,0,0,0,0|1,0,0]=2 109 B4R0.1 CC(=O)NN 049751 [1,0,0,0,0,0|3,0,0]=4 110 B4R0.1 CC(=O)NO 078547 [1,0,0,0,0,0|2,0,0]=3 111 B4R0.1 CC(=O)OO 102863 [1,0,0,0,0,0|2,0,0]=3 112 B4R0.1 CC(=O)O[TlH2] 044421 [1,0,0,0,0,0|3,0,0]=4 113 B4R0.1 CC(Br)C#N 242476 [1,0,0,0,0,0|2,0,1]=4 114 B4R0.1 CC(C)=NO 100400 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.1 CC(C)C#N 095064 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.1 CC(C)C=O 094969 [1,0,0,0,0,0|1,0,0]=2 117 B4R0.1 CC(C)C=O 102748 [1,0,0,0,0,0|1,0,0]=2 118 B4R0.1 CC(C)CBr 097876 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.1 CC(C)CI 005441 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.1 CC(C)CN 094648 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.1 CC(C)CO 098794 [1,0,0,0,0,0|1,0,1]=3 122 B4R0.1 CC(C)CS 097785 [1,0,0,0,0,0|1,1,1]=4 123 B4R0.1 CC(C)NN 023478 [1,0,0,0,0,0|3,0,0]=4 124 B4R0.1 CC(C)NO 049798 [1,0,0,0,0,0|2,0,0]=3 125 B4R0.1 CC(C)ON 049806 [1,0,0,0,0,0|3,0,0]=4 126 B4R0.1 CC(C)[Mg]Br 102695 [1,0,0,0,0,0|3,0,0]=4 127 B4R0.1 CC(C)[Mg]Cl 044829 [1,0,0,0,0,0|3,0,0]=4 128 B4R0.1 CC(C)[Mg]Cl 044854 [1,0,0,0,0,0|3,0,0]=4 129 B4R0.1 CC(Cl)C#N 076018 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.1 CC(Cl)CCl 094620 [1,0,0,0,0,0|2,0,1]=4 131 B4R0.1 CC(N)CN 094789 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.1 CC(N)CO 092185 [1,0,0,0,0,0|1,0,1]=3 133 B4R0.1 CC(O)CBr 001137 [1,0,0,0,0,0|1,0,1]=3 134 B4R0.1 CC(O)CN 099022 [1,0,0,0,0,0|1,0,1]=3 135 B4R0.1 CC(O)CO 492646 [1,0,0,0,0,0|0,0,1]=2 136 B4R0.1 CC=C(C)C 102641 [1,0,0,0,0,0|2,0,1]=4 137 B4R0.1 CCB(O)O 065613 [1,0,0,0,0,0|1,0,1]=3 138 B4R0.1 CCC(=O)Br BR1194 [1,0,0,0,0,0|1,0,0]=2 139 B4R0.1 CCC(=O)Cl 098881 [1,0,0,0,0,0|1,0,0]=2 140 B4R0.1 CCC(=O)O 098214 [1,0,0,0,0,0|0,0,0]=1 141 B4R0.1 CCC(=O)O 104856 [1,0,0,0,0,0|0,0,0]=1 142 B4R0.1 CCC(=O)[O-] 105990 [1,0,0,0,0,0|0,0,1]=2 143 B4R0.1 CCC(=O)[O-] 106505 [1,0,0,0,0,0|0,0,1]=2 144 B4R0.1 CCC(C)=O 046806 [1,0,0,0,0,0|1,0,0]=2 145 B4R0.1 CCC(C)=O 075238 [1,0,0,0,0,0|1,0,0]=2 146 B4R0.1 CCC(C)=O 101973 [1,0,0,0,0,0|1,0,0]=2 147 B4R0.1 CCC(C)=O 102570 [1,0,0,0,0,0|1,0,0]=2 148 B4R0.1 CCC(C)Br 110100 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.1 CCC(C)C 105976 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.1 CCC(C)I 099306 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.1 CCC(C)N 094534 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.1 CCC(C)O 080268 [1,0,0,0,0,0|1,0,1]=3 153 B4R0.1 CCC(C)S 098013 [1,0,0,0,0,0|1,1,1]=4 154 B4R0.1 CCC(N)=O 069325 [1,0,0,0,0,0|1,0,0]=2 155 B4R0.1 CCN(C)C 099918 [1,0,0,0,0,0|3,0,0]=4 156 B4R0.1 CCS(=O)[O-] 035597 [1,0,0,0,0,0|1,0,1]=3 157 B4R0.1 CC[C@H](C)O 036066 [1,0,0,0,0,0|1,0,1]=3 158 B4R0.1 CN(C)C=O 035911 [1,0,0,0,0,0|2,0,0]=3 159 B4R0.1 CN(C)C=O 046776 [1,0,0,0,0,0|2,0,0]=3 160 B4R0.1 CN(C)C=O 094267 [1,0,0,0,0,0|2,0,0]=3 161 B4R0.1 CN(C)C=O 099894 [1,0,0,0,0,0|2,0,0]=3 162 B4R0.1 CN(C)C=O 106424 [1,0,0,0,0,0|2,0,0]=3 163 B4R0.1 CN(C)C=S 078450 [1,0,0,0,0,0|2,1,0]=4 164 B4R0.1 CNC(=O)Cl 358405 [1,0,0,0,0,0|2,0,0]=3 165 B4R0.1 CNC(C)=O 154700 [1,0,0,0,0,0|2,0,0]=3 166 B4R0.1 CNC(C)C 094496 [1,0,0,0,0,0|3,0,0]=4 167 B4R0.1 CNC(N)=O 227727 [1,0,0,0,0,0|2,0,0]=3 168 B4R0.1 CNC(N)=S 018883 [1,0,0,0,0,0|2,1,0]=4 169 B4R0.1 COC(=N)N 242831 [1,0,0,0,0,0|3,0,0]=4 170 B4R0.1 COC(=N)N 449588 [1,0,0,0,0,0|3,0,0]=4 171 B4R0.1 COC(=O)Cl 099160 [1,0,0,0,0,0|2,0,0]=3 172 B4R0.1 COC(C)=O 098761 [1,0,0,0,0,0|2,0,0]=3 173 B4R0.1 COC(N)=O 080112 [1,0,0,0,0,0|2,0,0]=3 174 B4R0.1 COC(N)=[NH2+] 079024 [1,0,0,0,0,0|3,0,0]=4 175 B4R0.1 CSC(=N)N 221462 [1,0,0,0,0,0|3,0,0]=4 176 B4R0.1 C[C@@H](N)CO M03439 [1,0,0,0,0,0|1,0,1]=3 177 B4R0.1 C[C@@H](O)CN 234011 [1,0,0,0,0,0|1,0,1]=3 178 B4R0.1 C[C@@H](O)CO 166900 [1,0,0,0,0,0|0,0,1]=2 179 B4R0.1 C[C@H](N)CO M03438 [1,0,0,0,0,0|1,0,1]=3 180 B4R0.1 C[C@H](O)CN 079460 [1,0,0,0,0,0|1,0,1]=3 181 B4R0.1 C[C@H](O)CO 049743 [1,0,0,0,0,0|0,0,1]=2 182 B4R0.1 C[N+](C)=CBr 099927 [1,0,0,0,0,0|3,0,0]=4 183 B4R0.1 C[N+](C)=CCl 046921 [1,0,0,0,0,0|3,0,0]=4 184 B4R0.1 C\C(N)=N\O 075417 [1,0,0,0,0,0|2,0,1]=4 185 B4R0.1 N=C(N)CCl 018354 [1,0,0,0,0,0|3,0,0]=4 186 B4R0.1 NC(=O)CBr 091505 [1,0,0,0,0,0|2,0,0]=3 187 B4R0.1 NC(=O)CCl 079297 [1,0,0,0,0,0|2,0,0]=3 188 B4R0.1 NC(=O)CI 001085 [1,0,0,0,0,0|2,0,0]=3 189 B4R0.1 NC(=O)CS 069297 [1,0,0,0,0,0|1,1,0]=3 190 B4R0.1 NC(=O)NO 043351 [1,0,0,0,0,0|2,0,0]=3 191 B4R0.1 NCC(=O)O 105741 [1,0,0,0,0,0|1,0,0]=2 192 B4R0.1 NCC(=O)O 229198 [1,0,0,0,0,0|1,0,0]=2 193 B4R0.1 NCC(=O)O M03001 [1,0,0,0,0,0|1,0,0]=2 194 B4R0.1 NCC(=O)[O-] 240909 [1,0,0,0,0,0|1,0,1]=3 195 B4R0.1 NCC(N)=O 078516 [1,0,0,0,0,0|2,0,0]=3 196 B4R0.1 NNC(N)=O 242276 [1,0,0,0,0,0|3,0,0]=4 197 B4R0.1 O=C(Br)CBr 004136 [1,0,0,0,0,0|2,0,0]=3 198 B4R0.1 O=C(Cl)CBr 109400 [1,0,0,0,0,0|2,0,0]=3 199 B4R0.1 O=C(Cl)CCl 098899 [1,0,0,0,0,0|2,0,0]=3 200 B4R0.1 O=C(Cl)CCl 099381 [1,0,0,0,0,0|2,0,0]=3 201 B4R0.1 O=C(Cl)SCl 019067 [1,0,0,0,0,0|3,0,0]=4 202 B4R0.1 O=C(O)CBr 004135 [1,0,0,0,0,0|1,0,0]=2 203 B4R0.1 O=C(O)CCl 095375 [1,0,0,0,0,0|1,0,0]=2 204 B4R0.1 O=C(O)CI 520348 [1,0,0,0,0,0|1,0,0]=2 205 B4R0.1 O=C(O)CO 058235 [1,0,0,0,0,0|0,0,0]=1 206 B4R0.1 O=C(O)CO 103022 [1,0,0,0,0,0|0,0,0]=1 207 B4R0.1 O=C(O)CS 097732 [1,0,0,0,0,0|0,1,0]=2 208 B4R0.1 O=C([O-])CCl 099322 [1,0,0,0,0,0|1,0,1]=3 209 B4R0.1 O=C([O-])CO 195404 [1,0,0,0,0,0|0,0,1]=2 210 B4R0.1 O=C([O-])CS 106508 [1,0,0,0,0,0|0,1,1]=3 211 B4R0.1 O=CC(=O)O 095359 [1,0,0,0,0,0|0,0,2]=3 212 B4R0.1 O=S([O-])CO 450343 [1,0,0,0,0,0|1,0,1]=3 213 B4R0.1 O=[N+]([O-])CBr 002518 [1,0,0,0,0,0|2,0,1]=4 214 B4R0.1 OCC(F)F 001565 [1,0,0,0,0,0|2,0,1]=4 215 B4R0.1 ON=C(Br)Br 016179 [1,0,0,0,0,0|3,0,0]=4 216 B4R0.1 [15NH2][13CH2]C(=O)O 103447 [1,0,0,0,0,0|1,0,0]=2 217 B6R0.3 C#CC(O)C(C)C 104538 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.3 C(F)(F)C(=O)OC 006791 [0,1,0,0,0,0|2,0,0]=3 219 B6R0.3 C=C(C)C(=O)NC 241594 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.3 C=C(C)C(=O)OC 995248 [0,1,0,0,0,0|1,0,1]=3 221 B6R0.3 C=C(F)C(=O)OC 092134 [0,1,0,0,0,0|1,0,2]=4 222 B6R0.3 C=CC(=O)N(C)C 046781 [0,1,0,0,0,0|3,0,0]=4 223 B6R0.3 C=CN(C)C(C)=O 235676 [0,1,0,0,0,0|3,0,0]=4 224 B6R0.3 CC(=O)\C(C)=N\O 099089 [0,1,0,0,0,0|1,0,1]=3 225 B6R0.3 CC(C)C(=O)CBr 079016 [0,1,0,0,0,0|2,0,0]=3 226 B6R0.3 CC(C)C(=O)NN 019317 [0,1,0,0,0,0|2,0,0]=3 227 B6R0.3 CC(C)C(N)CO 323960 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.3 CC(C)[C@@H](N)CO 045548 [0,1,0,0,0,0|2,0,1]=4 229 B6R0.3 CC(C)[C@H](N)CO M03447 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.3 CC(C)\C(N)=N\O 061505 [0,1,0,0,0,0|2,0,0]=3 231 B6R0.3 CC(CN)C(=O)O 226386 [0,1,0,0,0,0|1,0,0]=2 232 B6R0.3 CCC(=O)C(C)=O 464570 [0,1,0,0,0,0|1,0,2]=4 233 B6R0.3 CCC(=O)C(C)C 386812 [0,1,0,0,0,0|2,0,0]=3 234 B6R0.3 CCC(=O)N(C)C 235586 [0,1,0,0,0,0|3,0,0]=4 235 B6R0.3 CCC(Br)C(=O)Br 241269 [0,1,0,0,0,0|2,0,0]=3 236 B6R0.3 CCC(Br)C(=O)O 242857 [0,1,0,0,0,0|1,0,0]=2 237 B6R0.3 CCC(C)B(O)O 208610 [0,1,0,0,0,0|2,0,1]=4 238 B6R0.3 CCC(C)C(=O)Cl 102938 [0,1,0,0,0,0|2,0,0]=3 239 B6R0.3 CCC(C)C(=O)O 155900 [0,1,0,0,0,0|1,0,0]=2 240 B6R0.3 CCC(C)C(C)O 103328 [0,1,0,0,0,0|2,0,1]=4 241 B6R0.3 CCC(C)C(N)=O 102996 [0,1,0,0,0,0|2,0,0]=3 242 B6R0.3 CCC(N)C(=O)O M01290 [0,1,0,0,0,0|1,0,0]=2 243 B6R0.3 CCC(O)C(C)C 240664 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.3 CC[C@@H](N)C(=O)O 044880 [0,1,0,0,0,0|1,0,0]=2 245 B6R0.3 CC[C@H](N)C(=O)O 024718 [0,1,0,0,0,0|1,0,0]=2 246 B6R0.3 CN(C)C(=O)CBr 043801 [0,1,0,0,0,0|3,0,0]=4 247 B6R0.3 CN(C)C(=O)CCl 067830 [0,1,0,0,0,0|3,0,0]=4 248 B6R0.3 CN(C)C(=O)CN 463150 [0,1,0,0,0,0|3,0,0]=4 249 B6R0.3 CN(N=O)C(N)=O 098373 [0,1,0,0,0,0|2,0,1]=4 250 B6R0.3 CNC(=O)C(=O)O 023479 [0,1,0,0,0,0|0,0,2]=3 251 B6R0.3 CNC(=O)C(C)Br 369255 [0,1,0,0,0,0|2,0,0]=3 252 B6R0.3 CNC(=O)C(C)C 541993 [0,1,0,0,0,0|2,0,0]=3 253 B6R0.3 CNC(=O)C(C)Cl 310451 [0,1,0,0,0,0|2,0,0]=3 254 B6R0.3 CNC(=O)C(F)Br 034756 [0,1,0,0,0,0|3,0,0]=4 255 B6R0.3 CNC(C)C(=O)O 075290 [0,1,0,0,0,0|1,0,0]=2 256 B6R0.3 CN[C@@H](C)C(=O)O 075289 [0,1,0,0,0,0|1,0,0]=2 257 B6R0.3 CN[C@H](C)C(=O)O 075291 [0,1,0,0,0,0|1,0,0]=2 258 B6R0.3 COC(=O)C(=O)Cl 386747 [0,1,0,0,0,0|1,0,2]=4 259 B6R0.3 COC(=O)C(C)=O 094169 [0,1,0,0,0,0|0,0,2]=3 260 B6R0.3 COC(=O)C(C)Br 006778 [0,1,0,0,0,0|1,0,0]=2 261 B6R0.3 COC(=O)C(C)C 097703 [0,1,0,0,0,0|1,0,0]=2 262 B6R0.3 COC(=O)C(C)Cl 239017 [0,1,0,0,0,0|1,0,0]=2 263 B6R0.3 COC(=O)C(C)N 003683 [0,1,0,0,0,0|1,0,0]=2 264 B6R0.3 COC(=O)C(C)N 003684 [0,1,0,0,0,0|1,0,0]=2 265 B6R0.3 COC(=O)C(C)O 103470 [0,1,0,0,0,0|0,0,0]=1 266 B6R0.3 COC(=O)C(Cl)Cl 340479 [0,1,0,0,0,0|2,0,0]=3 267 B6R0.3 COC(=O)[C@@H](C)Cl 046767 [0,1,0,0,0,0|1,0,0]=2 268 B6R0.3 COC(=O)[C@@H](C)N 005452 [0,1,0,0,0,0|1,0,0]=2 269 B6R0.3 COC(=O)[C@@H](C)O 219745 [0,1,0,0,0,0|0,0,0]=1 270 B6R0.3 COC(=O)[C@H](C)Cl 328935 [0,1,0,0,0,0|1,0,0]=2 271 B6R0.3 COC(=O)[C@H](C)O 099823 [0,1,0,0,0,0|0,0,0]=1 272 B6R0.3 CON(C)C(C)=O 153700 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.3 C[C@@H](CN)C(=O)O 215235 [0,1,0,0,0,0|1,0,0]=2 274 B6R0.3 C\C=C(/C)C(=O)O 099810 [0,1,0,0,0,0|1,0,1]=3 275 B6R0.3 NC(=O)[C@@H](N)CO 217138 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.3 NC(CO)C(=O)O 093750 [0,1,0,0,0,0|1,0,0]=2 277 B6R0.3 NC(CS)C(=O)O 241173 [0,1,0,0,0,0|1,0,0]=2 278 B6R0.3 NC[C@H](O)C(=O)O 222535 [0,1,0,0,0,0|0,0,0]=1 279 B6R0.3 N[C@@H](CO)C(=O)O 043859 [0,1,0,0,0,0|1,0,0]=2 280 B6R0.3 N[C@@H](CS)C(=O)O 093727 [0,1,0,0,0,0|1,0,0]=2 281 B6R0.3 N[C@@H](CS)C(=O)O 102087 [0,1,0,0,0,0|1,0,0]=2 282 B6R0.3 N[C@@H](CS)C(=O)O 318726 [0,1,0,0,0,0|1,0,0]=2 283 B6R0.3 N[C@@H](CS)C(=O)O M03086 [0,1,0,0,0,0|1,0,0]=2 284 B6R0.3 N[C@H](CO)C(=O)O 011887 [0,1,0,0,0,0|1,0,0]=2 285 B6R0.3 N[C@H](CS)C(=O)O 036386 [0,1,0,0,0,0|1,0,0]=2 286 B6R0.3 N[C@H](CS)C(=O)O 049424 [0,1,0,0,0,0|1,0,0]=2 287 B6R0.3 O=C(O)C(Br)CBr 077984 [0,1,0,0,0,0|1,0,0]=2 288 B6R0.3 O=C(O)C(O)CO 143500 [0,1,0,0,0,0|0,0,0]=1 289 B6R0.7 CC(=O)C(C)(C)C 003453 [0,1,0,0,0,0|2,0,0]=3 290 B6R0.7 CC(=O)C(C)(C)O 092081 [0,1,0,0,0,0|1,0,0]=2 291 B6R0.7 CC(=O)C(F)(F)F 007468 [0,1,0,0,0,0|3,0,0]=4 292 B6R0.7 CC(C)(Br)C(=O)Br 098961 [0,1,0,0,0,0|2,0,0]=3 293 B6R0.7 CC(C)(Br)C(=O)O 075177 [0,1,0,0,0,0|1,0,0]=2 294 B6R0.7 CC(C)(Br)C(N)=O 323860 [0,1,0,0,0,0|2,0,0]=3 295 B6R0.7 CC(C)(C)C(=N)N 069303 [0,1,0,0,0,0|3,0,0]=4 296 B6R0.7 CC(C)(C)C(=O)Cl 080298 [0,1,0,0,0,0|2,0,0]=3 297 B6R0.7 CC(C)(C)C(=O)O 218406 [0,1,0,0,0,0|1,0,0]=2 298 B6R0.7 CC(C)(C)C(=O)[O-] 053854 [0,1,0,0,0,0|1,0,1]=3 299 B6R0.7 CC(C)(C)C(N)=O 093938 [0,1,0,0,0,0|2,0,0]=3 300 B6R0.7 CC(C)(C)C(N)=S 044516 [0,1,0,0,0,0|2,1,0]=4 301 B6R0.7 CC(C)(C)S(N)=O 034514 [0,1,0,0,0,0|3,0,0]=4 302 B6R0.7 CC(C)(C)[N+](=O)[O-] 342016 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.7 CC(C)(C)[S@@](N)=O 034299 [0,1,0,0,0,0|3,0,0]=4 304 B6R0.7 CC(C)(C)[S@@](N)=O 102733 [0,1,0,0,0,0|3,0,0]=4 305 B6R0.7 CC(C)(C)[S@](N)=O 040040 [0,1,0,0,0,0|3,0,0]=4 306 B6R0.7 CC(C)(Cl)[N+](=O)[O-] 099762 [0,1,0,0,0,0|2,0,1]=4 307 B6R0.7 CC(C)(F)C(=O)O 013150 [0,1,0,0,0,0|1,0,0]=2 308 B6R0.7 CC(C)(F)C(N)=O 062794 [0,1,0,0,0,0|2,0,0]=3 309 B6R0.7 CC(C)(N)C(=O)O 078899 [0,1,0,0,0,0|1,0,0]=2 310 B6R0.7 CC(C)(O)C(=O)O 214584 [0,1,0,0,0,0|0,0,0]=1 311 B6R0.7 CC(C)S(=O)(=O)Cl 001772 [0,1,0,0,0,0|2,0,1]=4 312 B6R0.7 CC(C)S(N)(=O)=O 230484 [0,1,0,0,0,0|2,0,1]=4 313 B6R0.7 CC(F)(F)C(=O)O 010408 [0,1,0,0,0,0|1,0,0]=2 314 B6R0.7 CC(F)(F)C(N)=O 037202 [0,1,0,0,0,0|2,0,0]=3 315 B6R0.7 CC(O)C(C)(C)C 103394 [0,1,0,0,0,0|2,0,1]=4 316 B6R0.7 CC(O)C(F)(F)F 001252 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.7 NC(=O)C(Cl)(Cl)Cl 242842 [0,1,0,0,0,0|3,0,0]=4 318 B6R0.7 NC(=O)C(F)(F)Br 033292 [0,1,0,0,0,0|3,0,0]=4 319 B6R0.7 NC(=O)C(F)(F)Cl 004391 [0,1,0,0,0,0|3,0,0]=4 320 B6R0.7 NC(=O)C(F)(F)F 001220 [0,1,0,0,0,0|3,0,0]=4 321 B6R0.7 O=C(Cl)C(Cl)(Cl)Cl 173100 [0,1,0,0,0,0|3,0,0]=4 322 B6R0.7 O=C(Cl)C(F)(F)Br 010428 [0,1,0,0,0,0|3,0,0]=4 323 B6R0.7 O=C(Cl)C(F)(F)F 007473 [0,1,0,0,0,0|3,0,0]=4 324 B6R0.7 O=C(O)C(Br)(Br)Br 235698 [0,1,0,0,0,0|2,0,0]=3 325 B6R0.7 O=C(O)C(Cl)(Cl)Cl 005004 [0,1,0,0,0,0|2,0,0]=3 326 B6R0.7 O=C(O)C(F)(Br)Br 034752 [0,1,0,0,0,0|2,0,0]=3 327 B6R0.7 O=C(O)C(F)(F)Br 024408 [0,1,0,0,0,0|2,0,0]=3 328 B6R0.7 O=C(O)C(F)(F)Cl 003151 [0,1,0,0,0,0|2,0,0]=3 329 B6R0.7 O=C(O)C(F)(F)F 001271 [0,1,0,0,0,0|2,0,0]=3 330 B6R0.7 O=C(O)C(F)(F)F 001271 [0,1,0,0,0,0|2,0,0]=3 331 B6R0.7 O=C(O)C(F)(F)F 001271 [0,1,0,0,0,0|2,0,0]=3 332 B6R0.7 O=C(O)C(F)(F)F 008708 [0,1,0,0,0,0|2,0,0]=3 333 B6R0.7 O=C(O)C(F)(F)F 019093 [0,1,0,0,0,0|2,0,0]=3 334 B6R0.7 O=C(O)C(F)(F)F 101562 [0,1,0,0,0,0|2,0,0]=3 335 B6R0.7 O=C(O)C(F)(F)F 102164 [0,1,0,0,0,0|2,0,0]=3 336 B6R0.7 O=C(O)C(F)(F)F 102438 [0,1,0,0,0,0|2,0,0]=3 337 B6R0.7 O=C(O)C(F)(F)F 105899 [0,1,0,0,0,0|2,0,0]=3 338 B6R0.7 O=C([O-])C(Cl)(Cl)Cl 102851 [0,1,0,0,0,0|2,0,1]=4 339 B6R0.7 O=C([O-])C(F)(F)Cl 001061 [0,1,0,0,0,0|2,0,1]=4 340 B6R0.7 O=C([O-])C(F)(F)F 001216 [0,1,0,0,0,0|2,0,1]=4 341 B6R0.7 O=C([O-])C(F)(F)F 003595 [0,1,0,0,0,0|2,0,1]=4 342 B6R0.7 O=C([O-])C(F)(F)F 004043 [0,1,0,0,0,0|2,0,1]=4 343 B6R0.7 O=C([O-])C(F)(F)F 006935 [0,1,0,0,0,0|2,0,1]=4 344 B6R0.7 O=C([O-])C(F)(F)F 007271 [0,1,0,0,0,0|2,0,1]=4 345 B6R0.7 O=C([O-])C(F)(F)F 102469 [0,1,0,0,0,0|2,0,1]=4 346 B6R0.7 O=C([O-])C(F)(F)F 245949 [0,1,0,0,0,0|2,0,1]=4 347 B6R1.11 CC(=O)C1CC1 005112 [0,0,0,1,0,0|2,0,0]=3 348 B6R1.11 CC(O)C1CC1 354573 [0,0,0,1,0,0|2,0,1]=4 349 B6R1.11 N=C(N)C1CC1 017190 [0,0,0,1,0,0|3,0,0]=4 350 B6R1.11 NC(=O)C1CC1 079247 [0,0,0,1,0,0|2,0,0]=3 351 B6R1.11 O=C(Cl)C1CC1 066721 [0,0,0,1,0,0|2,0,0]=3 352 B6R1.11 O=C(O)C1CC1 009113 [0,0,0,1,0,0|1,0,0]=2 353 B6R1.11 O=S([O-])C1CC1 024941 [0,0,0,1,0,0|2,0,1]=4 354 B6R1.11 OB(O)C1CC1 023296 [0,0,0,1,0,0|2,0,1]=4 355 B6R0.2 C=C(C)OC(C)=O 101993 [0,0,0,0,0,1|2,0,1]=4 356 B6R0.2 CC(=O)C=C(C)C 098815 [0,0,0,0,0,1|2,0,1]=4 357 B6R0.2 CC(=O)CC(C)=O 100600 [0,0,0,0,0,1|1,0,2]=4 358 B6R0.2 CC(=O)CC(C)C 044985 [0,0,0,0,0,1|2,0,0]=3 359 B6R0.2 CC(=O)CC(C)C 102383 [0,0,0,0,0,1|2,0,0]=3 360 B6R0.2 CC(=O)CC(N)=O 444419 [0,0,0,0,0,1|1,0,2]=4 361 B6R0.2 CC(=O)NC(C)C 208609 [0,0,0,0,0,1|2,0,0]=3 362 B6R0.2 CC(=O)NC(N)=O 349305 [0,0,0,0,0,1|1,0,2]=4 363 B6R0.2 CC(=O)OC(C)=O 035908 [0,0,0,0,0,1|1,0,2]=4 364 B6R0.2 CC(=O)OC(C)=O 099749 [0,0,0,0,0,1|1,0,2]=4 365 B6R0.2 CC(=O)OC(C)C 099370 [0,0,0,0,0,1|2,0,0]=3 366 B6R0.2 CC(=O)[CH-]C(C)=O 450501 [0,0,0,0,0,1|1,0,2]=4 367 B6R0.2 CC(=O)\C=C(\C)[O-] 095827 [0,0,0,0,0,1|1,0,2]=4 368 B6R0.2 CC(=O)\C=C(\C)[O-] 102213 [0,0,0,0,0,1|1,0,2]=4 369 B6R0.2 CC(=O)\C=C(\C)[O-] 103716 [0,0,0,0,0,1|1,0,2]=4 370 B6R0.2 CC(=O)\C=C(\C)[O-] 103741 [0,0,0,0,0,1|1,0,2]=4 371 B6R0.2 CC(=O)\C=C(\C)[O-] 415350 [0,0,0,0,0,1|1,0,2]=4 372 B6R0.2 CC(=O)\C=C(\C)[O-] 494110 [0,0,0,0,0,1|1,0,2]=4 373 B6R0.2 CC(=[OH+])C=C(C)O 245745 [0,0,0,0,0,1|1,0,2]=4 374 B6R0.2 CC(C)=CC(=O)Cl 438394 [0,0,0,0,0,1|2,0,1]=4 375 B6R0.2 CC(C)=CC(=O)O 208603 [0,0,0,0,0,1|1,0,1]=3 376 B6R0.2 CC(C)=NC(C)C 022053 [0,0,0,0,0,1|3,0,0]=4 377 B6R0.2 CC(C)CB(O)O 045297 [0,0,0,0,0,1|2,0,1]=4 378 B6R0.2 CC(C)CC(=O)Cl 520885 [0,0,0,0,0,1|2,0,0]=3 379 B6R0.2 CC(C)CC(=O)O 242835 [0,0,0,0,0,1|1,0,0]=2 380 B6R0.2 CC(C)CC(C)O 242810 [0,0,0,0,0,1|2,0,1]=4 381 B6R0.2 CC(C)CC(N)=O 342138 [0,0,0,0,0,1|2,0,0]=3 382 B6R0.2 CC(C)CS(=O)[O-] 070723 [0,0,0,0,0,1|2,0,1]=4 383 B6R0.2 CC(C)NC(N)=O 101565 [0,0,0,0,0,1|2,0,0]=3 384 B6R0.2 CC(C)NC(N)=S 018760 [0,0,0,0,0,1|2,1,0]=4 385 B6R0.2 CC(Cl)OC(=O)Cl 019459 [0,0,0,0,0,1|2,0,0]=3 386 B6R0.2 CC(N)CC(=O)O 208617 [0,0,0,0,0,1|1,0,0]=2 387 B6R0.2 CC(O)CN(C)C 092070 [0,0,0,0,0,1|3,0,0]=4 388 B6R0.2 CN(C)CC(=O)O 044353 [0,0,0,0,0,1|2,0,0]=3 389 B6R0.2 CN(C)CC(=O)O 216339 [0,0,0,0,0,1|2,0,0]=3 390 B6R0.2 C[C@@H](N)CC(=O)O 034436 [0,0,0,0,0,1|1,0,0]=2 391 B6R0.2 C[C@@H](N)CC(=O)O 078594 [0,0,0,0,0,1|1,0,0]=2 392 B6R0.2 O=C(O)C=C(Cl)Cl 075588 [0,0,0,0,0,1|2,0,1]=4 393 B6R0.2 O=C(O)CC(=O)O 020000 [0,0,0,0,0,1|1,0,1]=3 394 B3R0.1 C#CCO 167200 [2,0,0,0,0,0|1,0,1]=4 395 B3R0.1 C=CCBr BR1119 [2,0,0,0,0,0|2,0,0]=4 396 B3R0.1 C=CCC 098927 [2,0,0,0,0,0|1,0,0]=3 397 B3R0.1 C=CCCl 094723 [2,0,0,0,0,0|2,0,0]=4 398 B3R0.1 C=CCI 001263 [2,0,0,0,0,0|2,0,0]=4 399 B3R0.1 C=CCN 099131 [2,0,0,0,0,0|2,0,0]=4 400 B3R0.1 C=CCO 099676 [2,0,0,0,0,0|1,0,0]=3 401 B3R0.1 C=CCS 099583 [2,0,0,0,0,0|1,1,0]=4 402 B3R0.1 CCC#N 094907 [2,0,0,0,0,0|1,0,1]=4 403 B3R0.1 CCC=O 094974 [2,0,0,0,0,0|0,0,0]=2 404 B3R0.1 CCCBr BR1117 [2,0,0,0,0,0|1,0,1]=4 405 B3R0.1 CCCI 005438 [2,0,0,0,0,0|1,0,1]=4 406 B3R0.1 CCCN 101445 [2,0,0,0,0,0|1,0,1]=4 407 B3R0.1 CCCO 098913 [2,0,0,0,0,0|0,0,1]=3 408 B3R0.1 CCCO 102042 [2,0,0,0,0,0|0,0,1]=3 409 B3R0.1 CCCS 098010 [2,0,0,0,0,0|0,1,1]=4 410 B3R0.1 CCC[S-] 104640 [2,0,0,0,0,0|0,1,1]=4 411 B3R0.1 CCNC 044624 [2,0,0,0,0,0|2,0,0]=4 412 B3R0.1 CCON 092211 [2,0,0,0,0,0|2,0,0]=4 413 B3R0.1 CNC=O 098971 [2,0,0,0,0,0|1,0,0]=3 414 B3R0.1 COC=O 101914 [2,0,0,0,0,0|1,0,0]=3 415 B3R0.1 C\C=C/C 105248 [2,0,0,0,0,0|1,0,1]=4 416 B3R0.1 C\C=C\C 102601 [2,0,0,0,0,0|1,0,1]=4 417 B3R0.1 C\C=N\O 102319 [2,0,0,0,0,0|1,0,1]=4 418 B3R0.1 C\C=N\O 358241 [2,0,0,0,0,0|1,0,1]=4 419 B3R0.1 NCCO 043400 [2,0,0,0,0,0|1,0,1]=4 420 B3R0.1 NCCO 103645 [2,0,0,0,0,0|1,0,1]=4 421 B3R0.1 NCCO 492434 [2,0,0,0,0,0|1,0,1]=4 422 B3R0.1 NNC=O 099623 [2,0,0,0,0,0|2,0,0]=4 423 B3R0.1 O=BOO 094453 [2,0,0,0,0,0|2,0,0]=4 424 B3R0.1 O=CC=O 094007 [2,0,0,0,0,0|0,0,2]=4 425 B3R0.1 O=CCCl 098847 [2,0,0,0,0,0|1,0,0]=3 426 B3R0.1 OCCBr 111300 [2,0,0,0,0,0|1,0,1]=4 427 B3R0.1 OCCCl 094877 [2,0,0,0,0,0|1,0,1]=4 428 B3R0.1 OCCI 001387 [2,0,0,0,0,0|1,0,1]=4 429 B3R0.1 OCCI 102984 [2,0,0,0,0,0|1,0,1]=4 430 B3R0.1 OCCO 044710 [2,0,0,0,0,0|0,0,1]=3 431 B3R0.1 OCCS 003836 [2,0,0,0,0,0|0,1,1]=4 432 B3R0.1 [2H]OCC 101892 [2,0,0,0,0,0|2,0,0]=4 433 B3R0.2 C(C)(F)F 004814 [2,0,0,0,0,0|2,0,0]=4 434 B3R0.2 C=C(C)Br 098357 [2,0,0,0,0,0|1,0,1]=4 435 B3R0.2 C=C(C)C 102139 [2,0,0,0,0,0|1,0,1]=4 436 B3R0.2 C=[N+](C)C 051246 [2,0,0,0,0,0|2,0,0]=4 437 B3R0.2 CB(O)O 214665 [2,0,0,0,0,0|1,0,0]=3 438 B3R0.2 CC(=N)N 021800 [2,0,0,0,0,0|2,0,0]=4 439 B3R0.2 CC(=O)Br 003920 [2,0,0,0,0,0|1,0,0]=3 440 B3R0.2 CC(=O)Cl 094104 [2,0,0,0,0,0|1,0,0]=3 441 B3R0.2 CC(=O)O 035907 [2,0,0,0,0,0|0,0,0]=2 442 B3R0.2 CC(=O)O 043868 [2,0,0,0,0,0|0,0,0]=2 443 B3R0.2 CC(=O)O 044721 [2,0,0,0,0,0|0,0,0]=2 444 B3R0.2 CC(=O)O 101598 [2,0,0,0,0,0|0,0,0]=2 445 B3R0.2 CC(=O)O 104750 [2,0,0,0,0,0|0,0,0]=2 446 B3R0.2 CC(=O)O 106044 [2,0,0,0,0,0|0,0,0]=2 447 B3R0.2 CC(=O)O 106057 [2,0,0,0,0,0|0,0,0]=2 448 B3R0.2 CC(=O)O 106058 [2,0,0,0,0,0|0,0,0]=2 449 B3R0.2 CC(=O)O 106164 [2,0,0,0,0,0|0,0,0]=2 450 B3R0.2 CC(=O)S 094692 [2,0,0,0,0,0|0,1,0]=3 451 B3R0.2 CC(=O)[O-] 044838 [2,0,0,0,0,0|0,0,1]=3 452 B3R0.2 CC(=O)[O-] 050331 [2,0,0,0,0,0|0,0,1]=3 453 B3R0.2 CC(=O)[O-] 095373 [2,0,0,0,0,0|0,0,1]=3 454 B3R0.2 CC(=O)[O-] 095810 [2,0,0,0,0,0|0,0,1]=3 455 B3R0.2 CC(=O)[O-] 095811 [2,0,0,0,0,0|0,0,1]=3 456 B3R0.2 CC(=O)[O-] 095813 [2,0,0,0,0,0|0,0,1]=3 457 B3R0.2 CC(=O)[O-] 098592 [2,0,0,0,0,0|0,0,1]=3 458 B3R0.2 CC(=O)[O-] 098906 [2,0,0,0,0,0|0,0,1]=3 459 B3R0.2 CC(=O)[O-] 098951 [2,0,0,0,0,0|0,0,1]=3 460 B3R0.2 CC(=O)[O-] 099265 [2,0,0,0,0,0|0,0,1]=3 461 B3R0.2 CC(=O)[O-] 099279 [2,0,0,0,0,0|0,0,1]=3 462 B3R0.2 CC(=O)[O-] 099299 [2,0,0,0,0,0|0,0,1]=3 463 B3R0.2 CC(=O)[O-] 099359 [2,0,0,0,0,0|0,0,1]=3 464 B3R0.2 CC(=O)[O-] 099374 [2,0,0,0,0,0|0,0,1]=3 465 B3R0.2 CC(=O)[O-] 099561 [2,0,0,0,0,0|0,0,1]=3 466 B3R0.2 CC(=O)[O-] 099735 [2,0,0,0,0,0|0,0,1]=3 467 B3R0.2 CC(=O)[O-] 101990 [2,0,0,0,0,0|0,0,1]=3 468 B3R0.2 CC(=O)[O-] 102370 [2,0,0,0,0,0|0,0,1]=3 469 B3R0.2 CC(=O)[O-] 102576 [2,0,0,0,0,0|0,0,1]=3 470 B3R0.2 CC(=O)[O-] 102577 [2,0,0,0,0,0|0,0,1]=3 471 B3R0.2 CC(=O)[O-] 102751 [2,0,0,0,0,0|0,0,1]=3 472 B3R0.2 CC(=O)[O-] 102954 [2,0,0,0,0,0|0,0,1]=3 473 B3R0.2 CC(=O)[O-] 103004 [2,0,0,0,0,0|0,0,1]=3 474 B3R0.2 CC(=O)[O-] 103454 [2,0,0,0,0,0|0,0,1]=3 475 B3R0.2 CC(=O)[O-] 103547 [2,0,0,0,0,0|0,0,1]=3 476 B3R0.2 CC(=O)[O-] 103666 [2,0,0,0,0,0|0,0,1]=3 477 B3R0.2 CC(=O)[O-] 104120 [2,0,0,0,0,0|0,0,1]=3 478 B3R0.2 CC(=O)[O-] 104124 [2,0,0,0,0,0|0,0,1]=3 479 B3R0.2 CC(=O)[O-] 104255 [2,0,0,0,0,0|0,0,1]=3 480 B3R0.2 CC(=O)[O-] 104267 [2,0,0,0,0,0|0,0,1]=3 481 B3R0.2 CC(=O)[O-] 104268 [2,0,0,0,0,0|0,0,1]=3 482 B3R0.2 CC(=O)[O-] 104731 [2,0,0,0,0,0|0,0,1]=3 483 B3R0.2 CC(=O)[O-] 104732 [2,0,0,0,0,0|0,0,1]=3 484 B3R0.2 CC(=O)[O-] 104830 [2,0,0,0,0,0|0,0,1]=3 485 B3R0.2 CC(=O)[O-] 104834 [2,0,0,0,0,0|0,0,1]=3 486 B3R0.2 CC(=O)[O-] 106015 [2,0,0,0,0,0|0,0,1]=3 487 B3R0.2 CC(=O)[O-] 106936 [2,0,0,0,0,0|0,0,1]=3 488 B3R0.2 CC(=O)[O-] 449646 [2,0,0,0,0,0|0,0,1]=3 489 B3R0.2 CC(=O)[O-] 492414 [2,0,0,0,0,0|0,0,1]=3 490 B3R0.2 CC(=O)[O-] 492458 [2,0,0,0,0,0|0,0,1]=3 491 B3R0.2 CC(=O)[O-] 492460 [2,0,0,0,0,0|0,0,1]=3 492 B3R0.2 CC(=O)[O-] 493837 [2,0,0,0,0,0|0,0,1]=3 493 B3R0.2 CC(=O)[O-] 493847 [2,0,0,0,0,0|0,0,1]=3 494 B3R0.2 CC(=O)[O-] 494093 [2,0,0,0,0,0|0,0,1]=3 495 B3R0.2 CC(=O)[O-] 494137 [2,0,0,0,0,0|0,0,1]=3 496 B3R0.2 CC(=O)[O-] 494138 [2,0,0,0,0,0|0,0,1]=3 497 B3R0.2 CC(=O)[O-] 494390 [2,0,0,0,0,0|0,0,1]=3 498 B3R0.2 CC(=O)[S-] 050515 [2,0,0,0,0,0|0,1,0]=3 499 B3R0.2 CC(C)=O 035905 [2,0,0,0,0,0|1,0,0]=3 500 B3R0.2 CC(C)=O 050332 [2,0,0,0,0,0|1,0,0]=3 501 B3R0.2 CC(C)=O 099892 [2,0,0,0,0,0|1,0,0]=3 502 B3R0.2 CC(C)=O 102148 [2,0,0,0,0,0|1,0,0]=3 503 B3R0.2 CC(C)=O 102613 [2,0,0,0,0,0|1,0,0]=3 504 B3R0.2 CC(C)=O 103138 [2,0,0,0,0,0|1,0,0]=3 505 B3R0.2 CC(C)Br BR1118 [2,0,0,0,0,0|1,0,1]=4 506 B3R0.2 CC(C)Cl 438389 [2,0,0,0,0,0|1,0,1]=4 507 B3R0.2 CC(C)I 094561 [2,0,0,0,0,0|1,0,1]=4 508 B3R0.2 CC(C)N 046833 [2,0,0,0,0,0|1,0,1]=4 509 B3R0.2 CC(C)N 094589 [2,0,0,0,0,0|1,0,1]=4 510 B3R0.2 CC(C)N 102424 [2,0,0,0,0,0|1,0,1]=4 511 B3R0.2 CC(C)O 035913 [2,0,0,0,0,0|0,0,1]=3 512 B3R0.2 CC(C)O 098379 [2,0,0,0,0,0|0,0,1]=3 513 B3R0.2 CC(C)O 102166 [2,0,0,0,0,0|0,0,1]=3 514 B3R0.2 CC(C)O 102226 [2,0,0,0,0,0|0,0,1]=3 515 B3R0.2 CC(C)O 105811 [2,0,0,0,0,0|0,0,1]=3 516 B3R0.2 CC(C)S 098993 [2,0,0,0,0,0|0,1,1]=4 517 B3R0.2 CC(C)[O-] 098874 [2,0,0,0,0,0|0,0,2]=4 518 B3R0.2 CC(C)[O-] 099441 [2,0,0,0,0,0|0,0,2]=4 519 B3R0.2 CC(C)[S-] 103566 [2,0,0,0,0,0|0,1,1]=4 520 B3R0.2 CC(Cl)Cl 047063 [2,0,0,0,0,0|2,0,0]=4 521 B3R0.2 CC(N)=O 044859 [2,0,0,0,0,0|1,0,0]=3 522 B3R0.2 CC(N)=S 012744 [2,0,0,0,0,0|1,1,0]=4 523 B3R0.2 CC(N)=S 099460 [2,0,0,0,0,0|1,1,0]=4 524 B3R0.2 CN(C)O 104141 [2,0,0,0,0,0|1,0,1]=4 525 B3R0.2 CS(=O)[O-] 001284 [2,0,0,0,0,0|1,0,1]=4 526 B3R0.2 CS(C)=O 046777 [2,0,0,0,0,0|2,0,0]=4 527 B3R0.2 CS(C)=O 099368 [2,0,0,0,0,0|2,0,0]=4 528 B3R0.2 CS(C)=O 102741 [2,0,0,0,0,0|2,0,0]=4 529 B3R0.2 C[N+](=O)[O-] 099354 [2,0,0,0,0,0|1,0,1]=4 530 B3R0.2 C[N+](=O)[O-] 104857 [2,0,0,0,0,0|1,0,1]=4 531 B3R0.2 C[N+](=O)[O-] BR1297 [2,0,0,0,0,0|1,0,1]=4 532 B3R0.2 NC(=O)[O-] 240898 [2,0,0,0,0,0|1,0,1]=4 533 B3R0.2 NC(N)=O 044699 [2,0,0,0,0,0|2,0,0]=4 534 B3R0.2 NC(N)=O 094887 [2,0,0,0,0,0|2,0,0]=4 535 B3R0.2 NC(N)=O 245966 [2,0,0,0,0,0|2,0,0]=4 536 B3R0.2 NC(N)=O M02656 [2,0,0,0,0,0|2,0,0]=4 537 B3R0.2 O=C(Cl)Cl 098039 [2,0,0,0,0,0|2,0,0]=4 538 B3R0.2 O=C(O)O 094746 [2,0,0,0,0,0|0,0,0]=2 539 B3R0.2 O=C(O)O 105338 [2,0,0,0,0,0|0,0,0]=2 540 B3R0.2 O=C(O)O 105407 [2,0,0,0,0,0|0,0,0]=2 541 B3R0.2 O=C([O-])O 044705 [2,0,0,0,0,0|0,0,1]=3 542 B3R0.2 O=C([O-])O 044759 [2,0,0,0,0,0|0,0,1]=3 543 B3R0.2 O=C([O-])O 095377 [2,0,0,0,0,0|0,0,1]=3 544 B3R0.2 O=C([O-])O 099274 [2,0,0,0,0,0|0,0,1]=3 545 B3R0.2 O=C([O-])O 099353 [2,0,0,0,0,0|0,0,1]=3 546 B3R0.2 O=C([O-])O 099941 [2,0,0,0,0,0|0,0,1]=3 547 B3R0.2 O=C([O-])O 101989 [2,0,0,0,0,0|0,0,1]=3 548 B3R0.2 O=C([O-])O 102030 [2,0,0,0,0,0|0,0,1]=3 549 B3R0.2 O=C([O-])O 102774 [2,0,0,0,0,0|0,0,1]=3 550 B3R0.2 O=C([O-])O 102942 [2,0,0,0,0,0|0,0,1]=3 551 B3R0.2 O=C([O-])O 104315 [2,0,0,0,0,0|0,0,1]=3 552 B3R0.2 O=C([O-])[O-] 024862 [2,0,0,0,0,0|0,0,2]=4 553 B3R0.2 O=C([O-])[O-] 044706 [2,0,0,0,0,0|0,0,2]=4 554 B3R0.2 O=C([O-])[O-] 044708 [2,0,0,0,0,0|0,0,2]=4 555 B3R0.2 O=C([O-])[O-] 050215 [2,0,0,0,0,0|0,0,2]=4 556 B3R0.2 O=C([O-])[O-] 094638 [2,0,0,0,0,0|0,0,2]=4 557 B3R0.2 O=C([O-])[O-] 095386 [2,0,0,0,0,0|0,0,2]=4 558 B3R0.2 O=C([O-])[O-] 097603 [2,0,0,0,0,0|0,0,2]=4 559 B3R0.2 O=C([O-])[O-] 097701 [2,0,0,0,0,0|0,0,2]=4 560 B3R0.2 O=C([O-])[O-] 098684 [2,0,0,0,0,0|0,0,2]=4 561 B3R0.2 O=C([O-])[O-] 099296 [2,0,0,0,0,0|0,0,2]=4 562 B3R0.2 O=C([O-])[O-] 099356 [2,0,0,0,0,0|0,0,2]=4 563 B3R0.2 O=C([O-])[O-] 099751 [2,0,0,0,0,0|0,0,2]=4 564 B3R0.2 O=C([O-])[O-] 099971 [2,0,0,0,0,0|0,0,2]=4 565 B3R0.2 O=C([O-])[O-] 101890 [2,0,0,0,0,0|0,0,2]=4 566 B3R0.2 O=C([O-])[O-] 101937 [2,0,0,0,0,0|0,0,2]=4 567 B3R0.2 O=C([O-])[O-] 102038 [2,0,0,0,0,0|0,0,2]=4 568 B3R0.2 O=C([O-])[O-] 102078 [2,0,0,0,0,0|0,0,2]=4 569 B3R0.2 O=C([O-])[O-] 102093 [2,0,0,0,0,0|0,0,2]=4 570 B3R0.2 O=C([O-])[O-] 102094 [2,0,0,0,0,0|0,0,2]=4 571 B3R0.2 O=C([O-])[O-] 102095 [2,0,0,0,0,0|0,0,2]=4 572 B3R0.2 O=C([O-])[O-] 102476 [2,0,0,0,0,0|0,0,2]=4 573 B3R0.2 O=C([O-])[O-] 102675 [2,0,0,0,0,0|0,0,2]=4 574 B3R0.2 O=C([O-])[O-] 102731 [2,0,0,0,0,0|0,0,2]=4 575 B3R0.2 O=C([O-])[O-] 102831 [2,0,0,0,0,0|0,0,2]=4 576 B3R0.2 O=C([O-])[O-] 102941 [2,0,0,0,0,0|0,0,2]=4 577 B3R0.2 O=C([O-])[O-] 103440 [2,0,0,0,0,0|0,0,2]=4 578 B3R0.2 O=C([O-])[O-] 103688 [2,0,0,0,0,0|0,0,2]=4 579 B3R0.2 O=C([O-])[O-] 103830 [2,0,0,0,0,0|0,0,2]=4 580 B3R0.2 O=C([O-])[O-] 104678 [2,0,0,0,0,0|0,0,2]=4 581 B3R0.2 O=C([O-])[O-] 245855 [2,0,0,0,0,0|0,0,2]=4 582 B3R0.2 O=C([O-])[O-] 245931 [2,0,0,0,0,0|0,0,2]=4 583 B3R0.2 O=I(=O)O 106429 [2,0,0,0,0,0|1,0,1]=4 584 B3R0.2 O=S([O-])O 075234 [2,0,0,0,0,0|1,0,1]=4 585 B3R0.2 O=S([O-])O 099416 [2,0,0,0,0,0|1,0,1]=4 586 B3R0.2 O=S([O-])O 106048 [2,0,0,0,0,0|1,0,1]=4 587 B3R0.2 O=[N+]([O-])O 099784 [2,0,0,0,0,0|1,0,1]=4 588 B3R0.2 O=[N+]([O-])O 102498 [2,0,0,0,0,0|1,0,1]=4 589 B3R0.2 O=[Si](O)O 101481 [2,0,0,0,0,0|0,1,0]=3 590 B3R0.2 OB(O)O 094443 [2,0,0,0,0,0|1,0,1]=4 591 B3R0.2 OB(O)O 099748 [2,0,0,0,0,0|1,0,1]=4 592 B3R0.2 OB(O)O 103993 [2,0,0,0,0,0|1,0,1]=4 593 B3R0.2 OB(O)O 104270 [2,0,0,0,0,0|1,0,1]=4 594 B3R0.2 OB(O)O 104328 [2,0,0,0,0,0|1,0,1]=4 595 B5R0.1 C#CCC(C)O 532537 [1,1,0,0,0,0|1,0,1]=4 596 B5R0.1 C=C(C)CCBr 223736 [1,1,0,0,0,0|2,0,0]=4 597 B5R0.1 C=C(C)CCO 358461 [1,1,0,0,0,0|2,0,0]=4 598 B5R0.1 C=C(C)OCC 471668 [1,1,0,0,0,0|2,0,0]=4 599 B5R0.1 C=CCC(C)C 106337 [1,1,0,0,0,0|2,0,0]=4 600 B5R0.1 CC#CC(=O)O 009075 [1,1,0,0,0,0|0,0,1]=3 601 B5R0.1 CC(=O)CCCl 069833 [1,1,0,0,0,0|1,0,0]=3 602 B5R0.1 CC(=O)CCO 358442 [1,1,0,0,0,0|1,0,0]=3 603 B5R0.1 CC(=O)NCO 430081 [1,1,0,0,0,0|1,0,0]=3 604 B5R0.1 CC(C)=CC=O 386384 [1,1,0,0,0,0|1,0,1]=4 605 B5R0.1 CC(C)=CCO 358414 [1,1,0,0,0,0|1,0,1]=4 606 B5R0.1 CC(C)CC=O 094970 [1,1,0,0,0,0|1,0,0]=3 607 B5R0.1 CC(C)CCO 097704 [1,1,0,0,0,0|1,0,1]=4 608 B5R0.1 CC(C)CCO 103352 [1,1,0,0,0,0|1,0,1]=4 609 B5R0.1 CC(C)NC=O 103706 [1,1,0,0,0,0|1,0,0]=3 610 B5R0.1 CC(O)CCO 099380 [1,1,0,0,0,0|0,0,1]=3 611 B5R0.1 CCCB(O)O 092177 [1,1,0,0,0,0|1,0,1]=4 612 B5R0.1 CCCC(=O)Cl 098879 [1,1,0,0,0,0|1,0,0]=3 613 B5R0.1 CCCC(=O)O 102473 [1,1,0,0,0,0|0,0,0]=2 614 B5R0.1 CCCC(C)O 099024 [1,1,0,0,0,0|1,0,1]=4 615 B5R0.1 CCCC(N)=O 356018 [1,1,0,0,0,0|1,0,0]=3 616 B5R0.1 CCC[C@H](C)O 036089 [1,1,0,0,0,0|1,0,1]=4 617 B5R0.1 CCC[N+](=O)[O-] 520877 [1,1,0,0,0,0|1,0,1]=4 618 B5R0.1 CCNC(N)=S 099168 [1,1,0,0,0,0|1,1,0]=4 619 B5R0.1 CCOC(=N)N 069301 [1,1,0,0,0,0|2,0,0]=4 620 B5R0.1 CCOC(=O)Cl 099901 [1,1,0,0,0,0|1,0,0]=3 621 B5R0.1 CCOC(C)=N 239394 [1,1,0,0,0,0|2,0,0]=4 622 B5R0.1 CCOC(C)=O 035909 [1,1,0,0,0,0|1,0,0]=3 623 B5R0.1 CCOC(C)=O 099553 [1,1,0,0,0,0|1,0,0]=3 624 B5R0.1 CCOC(C)=O 099895 [1,1,0,0,0,0|1,0,0]=3 625 B5R0.1 CCOC(N)=O 099367 [1,1,0,0,0,0|1,0,0]=3 626 B5R0.1 CCSC(=N)N 358408 [1,1,0,0,0,0|2,0,0]=4 627 B5R0.1 CNCC(=O)O 095119 [1,1,0,0,0,0|0,0,0]=2 628 B5R0.1 COCC(=O)Cl 053542 [1,1,0,0,0,0|1,0,0]=3 629 B5R0.1 COCC(=O)O 237785 [1,1,0,0,0,0|0,0,0]=2 630 B5R0.1 COCC(C)=O 002450 [1,1,0,0,0,0|1,0,0]=3 631 B5R0.1 COCC(C)N 402335 [1,1,0,0,0,0|1,0,1]=4 632 B5R0.1 COCC(C)O 093985 [1,1,0,0,0,0|0,0,1]=3 633 B5R0.1 COC[C@@H](C)N 079780 [1,1,0,0,0,0|1,0,1]=4 634 B5R0.1 COC[C@@H](C)O 036090 [1,1,0,0,0,0|0,0,1]=3 635 B5R0.1 CSCC(=O)O 010416 [1,1,0,0,0,0|0,0,0]=2 636 B5R0.1 CSCC(N)=O 092321 [1,1,0,0,0,0|1,0,0]=3 637 B5R0.1 CSCS(C)=O 303199 [1,1,0,0,0,0|2,0,0]=4 638 B5R0.1 C[C@@H](N)CCO 092790 [1,1,0,0,0,0|1,0,1]=4 639 B5R0.1 C[C@@H](O)CCO 041923 [1,1,0,0,0,0|0,0,1]=3 640 B5R0.1 C[C@H](N)CCO 092789 [1,1,0,0,0,0|1,0,1]=4 641 B5R0.1 C[C@H](O)CCO 041922 [1,1,0,0,0,0|0,0,1]=3 642 B5R0.1 C\C=C\C(=O)Cl 358246 [1,1,0,0,0,0|1,0,1]=4 643 B5R0.1 C\C=C\C(=O)O 092792 [1,1,0,0,0,0|0,0,1]=3 644 B5R0.1 N#CCC(=O)O 098058 [1,1,0,0,0,0|0,0,1]=3 645 B5R0.1 N#CCC(N)=O 094603 [1,1,0,0,0,0|1,0,1]=4 646 B5R0.1 NC(=O)CCBr 456436 [1,1,0,0,0,0|1,0,0]=3 647 B5R0.1 NC(=O)CCCl 180018 [1,1,0,0,0,0|1,0,0]=3 648 B5R0.1 NCCC(=O)O 044720 [1,1,0,0,0,0|0,0,0]=2 649 B5R0.1 NCCC(N)=O 221578 [1,1,0,0,0,0|1,0,0]=3 650 B5R0.1 NOCC(=O)O 222804 [1,1,0,0,0,0|0,0,0]=2 651 B5R0.1 O=C(Cl)CCBr 104627 [1,1,0,0,0,0|1,0,0]=3 652 B5R0.1 O=C(Cl)CCCl 095162 [1,1,0,0,0,0|1,0,0]=3 653 B5R0.1 O=C(Cl)OCCl 320123 [1,1,0,0,0,0|2,0,0]=4 654 B5R0.1 O=C(O)CCBr 003025 [1,1,0,0,0,0|0,0,0]=2 655 B5R0.1 O=C(O)CCCl 242740 [1,1,0,0,0,0|0,0,0]=2 656 B5R0.1 O=C(O)CCI 003069 [1,1,0,0,0,0|0,0,0]=2 657 B5R0.1 O=C(O)CCO 147100 [1,1,0,0,0,0|0,0,0]=2 658 B5R0.1 O=C(O)CCS 094485 [1,1,0,0,0,0|0,0,0]=2 659 B5R0.1 O=[N+]([O-])CCO 358303 [1,1,0,0,0,0|1,0,1]=4 660 B5R0.3 C#CC(=O)OC 067148 [1,1,0,0,0,0|0,0,2]=4 661 B5R0.3 C#CC(O)CC 164300 [1,1,0,0,0,0|1,0,1]=4 662 B5R0.3 C=C(CO)CO 079496 [1,1,0,0,0,0|1,0,0]=3 663 B5R0.3 C=CC(=O)OC 520477 [1,1,0,0,0,0|0,0,2]=4 664 B5R0.3 C=CC(C)C#N 106335 [1,1,0,0,0,0|2,0,0]=4 665 B5R0.3 C=CC(O)CC 464567 [1,1,0,0,0,0|1,0,0]=3 666 B5R0.3 C=CC(O)CO 099464 [1,1,0,0,0,0|1,0,0]=3 667 B5R0.3 CC(CO)CO 242900 [1,1,0,0,0,0|0,0,1]=3 668 B5R0.3 CCC(=O)CBr 002514 [1,1,0,0,0,0|1,0,0]=3 669 B5R0.3 CCC(=O)CC 094591 [1,1,0,0,0,0|1,0,0]=3 670 B5R0.3 CCC(=O)NC 103047 [1,1,0,0,0,0|1,0,0]=3 671 B5R0.3 CCC(=O)NN 026652 [1,1,0,0,0,0|1,0,0]=3 672 B5R0.3 CCC(C)C=O 103622 [1,1,0,0,0,0|1,0,0]=3 673 B5R0.3 CCC(C)CO 358145 [1,1,0,0,0,0|1,0,1]=4 674 B5R0.3 CCC(N)CO 091481 [1,1,0,0,0,0|1,0,1]=4 675 B5R0.3 CCC(O)C#N 103338 [1,1,0,0,0,0|1,0,1]=4 676 B5R0.3 CCC(O)CC 358049 [1,1,0,0,0,0|1,0,1]=4 677 B5R0.3 CCC(O)CN 002496 [1,1,0,0,0,0|1,0,1]=4 678 B5R0.3 CCN(O)CC 105777 [1,1,0,0,0,0|2,0,0]=4 679 B5R0.3 CCN(O)CC 129600 [1,1,0,0,0,0|2,0,0]=4 680 B5R0.3 CCS(=O)CC 094782 [1,1,0,0,0,0|2,0,0]=4 681 B5R0.3 CC[C@@H](N)CO 012703 [1,1,0,0,0,0|1,0,1]=4 682 B5R0.3 CC[C@H](C)CO 473128 [1,1,0,0,0,0|1,0,1]=4 683 B5R0.3 CC[C@H](N)CO 012704 [1,1,0,0,0,0|1,0,1]=4 684 B5R0.3 CC\C(C)=N\O 099127 [1,1,0,0,0,0|1,0,0]=3 685 B5R0.3 CNC(=O)CBr 043828 [1,1,0,0,0,0|2,0,0]=4 686 B5R0.3 CNC(=O)CCl 094091 [1,1,0,0,0,0|2,0,0]=4 687 B5R0.3 CNC(=O)CN 075035 [1,1,0,0,0,0|2,0,0]=4 688 B5R0.3 CNC(=O)NC 358273 [1,1,0,0,0,0|2,0,0]=4 689 B5R0.3 COC(=O)C#N 102552 [1,1,0,0,0,0|1,0,1]=4 690 B5R0.3 COC(=O)CBr 006774 [1,1,0,0,0,0|1,0,0]=3 691 B5R0.3 COC(=O)CCl 095344 [1,1,0,0,0,0|1,0,0]=3 692 B5R0.3 COC(=O)CI 103193 [1,1,0,0,0,0|1,0,0]=3 693 B5R0.3 COC(=O)CN M03021 [1,1,0,0,0,0|1,0,0]=3 694 B5R0.3 COC(=O)CO 227696 [1,1,0,0,0,0|0,0,0]=2 695 B5R0.3 COC(=O)CS 011917 [1,1,0,0,0,0|0,1,0]=3 696 B5R0.3 COC(=O)NN 094656 [1,1,0,0,0,0|2,0,0]=4 697 B5R0.3 COC(=O)OC 094559 [1,1,0,0,0,0|1,0,0]=3 698 B5R0.3 COC(=O)SCl 002587 [1,1,0,0,0,0|1,1,0]=4 699 B5R0.3 COC(C)OC 104486 [1,1,0,0,0,0|2,0,0]=4 700 B5R0.3 COS(=O)OC 094292 [1,1,0,0,0,0|2,0,0]=4 701 B5R0.3 CO[PH](=O)OC 098972 [1,1,0,0,0,0|2,0,0]=4 702 B5R0.3 C\C=C(/C)C=O 245796 [1,1,0,0,0,0|1,0,1]=4 703 B5R0.3 NC(CO)CO 043594 [1,1,0,0,0,0|1,0,1]=4 704 B5R0.3 NCC(=O)CN 245676 [1,1,0,0,0,0|2,0,0]=4 705 B5R0.3 NCC(O)CN 013503 [1,1,0,0,0,0|1,0,1]=4 706 B5R0.3 NCC(O)CO 093744 [1,1,0,0,0,0|0,0,1]=3 707 B5R0.3 NC[C@@H](O)CO 036807 [1,1,0,0,0,0|0,0,1]=3 708 B5R0.3 NC[C@H](O)CCl 320853 [1,1,0,0,0,0|1,0,1]=4 709 B5R0.3 NNC(=O)CO 069267 [1,1,0,0,0,0|1,0,0]=3 710 B5R0.3 O=C(CCl)CCl 469912 [1,1,0,0,0,0|2,0,0]=4 711 B5R0.3 O=C(CO)CO 093516 [1,1,0,0,0,0|0,0,0]=2 712 B5R0.3 O=C(O[Ag])O[Ag] 051244 [1,1,0,0,0,0|2,0,0]=4 713 B5R0.3 O=CC(Br)C=O 078260 [1,1,0,0,0,0|1,0,1]=4 714 B5R0.3 OC(CBr)CBr 242654 [1,1,0,0,0,0|1,0,1]=4 715 B5R0.3 OC(CCl)CCl 214775 [1,1,0,0,0,0|1,0,1]=4 716 B5R0.3 OCC(O)CCl 242924 [1,1,0,0,0,0|0,0,1]=3 717 B5R0.3 OCC(O)CO 094580 [1,1,0,0,0,0|0,0,1]=3 718 B5R0.3 OCC(O)CO 102072 [1,1,0,0,0,0|0,0,1]=3 719 B5R0.3 OCC(O)CO 104202 [1,1,0,0,0,0|0,0,1]=3 720 B5R0.3 OCC(O)CS 104512 [1,1,0,0,0,0|0,0,1]=3 721 B5R0.3 OC[C@@H](O)CCl 079187 [1,1,0,0,0,0|0,0,1]=3 722 B5R0.4 C#CC(C)(C)O 077701 [1,1,0,0,0,0|1,0,1]=4 723 B5R0.4 C=CC(C)(C)C 098818 [1,1,0,0,0,0|2,0,0]=4 724 B5R0.4 C=CC(C)(C)O 051281 [1,1,0,0,0,0|1,0,0]=3 725 B5R0.4 CC(C)(C)C=O 095838 [1,1,0,0,0,0|1,0,0]=3 726 B5R0.4 CC(C)(C)CO 094979 [1,1,0,0,0,0|1,0,1]=4 727 B5R0.4 CC(C)(C)NO 069319 [1,1,0,0,0,0|2,0,0]=4 728 B5R0.4 CC(C)(N)CO 094438 [1,1,0,0,0,0|1,0,1]=4 729 B5R0.4 CC(C)(O)C#N 102614 [1,1,0,0,0,0|1,0,1]=4 730 B5R0.4 CC(C)(O)CCl 120400 [1,1,0,0,0,0|1,0,1]=4 731 B5R0.4 CC(C)(O)CN 041912 [1,1,0,0,0,0|1,0,1]=4 732 B5R0.4 CC(C)(O)CO 080226 [1,1,0,0,0,0|0,0,1]=3 733 B5R0.4 CC(F)(F)CO 034700 [1,1,0,0,0,0|1,0,1]=4 734 B5R0.4 CCC(C)(C)O 094937 [1,1,0,0,0,0|1,0,1]=4 735 B5R0.4 CCC(C)(C)O 094938 [1,1,0,0,0,0|1,0,1]=4 736 B5R0.4 CCC(C)(C)O 098852 [1,1,0,0,0,0|1,0,1]=4 737 B5R0.4 CCS(=O)(=O)Cl 044992 [1,1,0,0,0,0|1,0,1]=4 738 B5R0.4 CCS(N)(=O)=O 022080 [1,1,0,0,0,0|1,0,1]=4 739 B5R0.4 NCP(=O)(O)O 386319 [1,1,0,0,0,0|2,0,0]=4 740 B5R0.4 O=S(=O)([O-])CO 098680 [1,1,0,0,0,0|1,0,1]=4 741 B7R0.2 C=CC(=O)NC(C)C 046835 [0,1,0,0,0,1|2,0,0]=4 742 B7R0.2 CC(C)NC(=O)CCl 307988 [0,1,0,0,0,1|2,0,0]=4 743 B7R0.2 CCC(C)CC(=O)O 002768 [0,1,0,0,0,1|1,0,0]=3 744 B7R0.2 CCC(C)NC(C)=O 103813 [0,1,0,0,0,1|2,0,0]=4 745 B7R0.2 COC(=O)C=C(C)C 358413 [0,1,0,0,0,1|1,0,1]=4 746 B7R0.2 COC(=O)CC(=O)O 227679 [0,1,0,0,0,1|0,0,2]=4 747 B7R0.2 COC(=O)CC(C)=O 094497 [0,1,0,0,0,1|0,0,2]=4 748 B7R0.2 COC(=O)CC(C)C 046834 [0,1,0,0,0,1|1,0,0]=3 749 B7R0.2 COC(=O)CN(C)C 099922 [0,1,0,0,0,1|2,0,0]=4 750 B7R0.2 COC(=O)C[C@@H](C)O 079225 [0,1,0,0,0,1|0,0,0]=2 751 B7R0.2 COC(=O)C[C@H](C)O 208678 [0,1,0,0,0,1|0,0,0]=2 752 B7R0.2 COC(=O)\C=C(\C)N 078507 [0,1,0,0,0,1|1,0,1]=4 753 B7R0.2 NCC(O)CC(=O)O 093269 [0,1,0,0,0,1|0,0,0]=2 754 B7R0.9 CC(=O)NC(C)(C)C 342025 [0,1,0,0,0,1|2,0,0]=4 755 B7R0.9 CC(=O)OC(C)(C)C 094033 [0,1,0,0,0,1|2,0,0]=4 756 B7R0.9 CC(C)(C)CC(=O)Cl 049750 [0,1,0,0,0,1|2,0,0]=4 757 B7R0.9 CC(C)(C)CC(=O)O 078718 [0,1,0,0,0,1|1,0,0]=3 758 B7R0.9 CC(C)(C)CC(N)=O 102508 [0,1,0,0,0,1|2,0,0]=4 759 B7R0.9 CC(C)(C)NC(N)=O 342232 [0,1,0,0,0,1|2,0,0]=4 760 B7R0.9 CC(C)(C)OC(N)=O 043378 [0,1,0,0,0,1|2,0,0]=4 761 B7R0.9 CC(C)(N)CC(=O)O 023437 [0,1,0,0,0,1|1,0,0]=3 762 B7R0.9 CS(=O)(=O)CC(=O)O 003739 [0,1,0,0,0,1|1,0,1]=4 763 B7R0.9 O=C(O)CC(F)(F)F 001558 [0,1,0,0,0,1|2,0,0]=4 764 B7R0.16 CC(C(=O)O)C(=O)O 080319 [0,1,0,0,0,1|1,0,1]=4 765 B7R0.16 CC(C)C(Br)C(=O)O 003401 [0,1,0,0,0,1|1,0,0]=3 766 B7R0.16 CC(C)C(N)C(=O)O 097622 [0,1,0,0,0,1|1,0,0]=3 767 B7R0.16 CC(C)C(O)C(=O)O 336693 [0,1,0,0,0,1|1,0,0]=3 768 B7R0.16 CC(C)[C@@H](N)C(=O)O 011910 [0,1,0,0,0,1|1,0,0]=3 769 B7R0.16 CC(C)[C@H](Br)C(=O)O 094133 [0,1,0,0,0,1|1,0,0]=3 770 B7R0.16 CC(C)[C@H](N)C(=O)O M02950 [0,1,0,0,0,1|1,0,0]=3 771 B7R0.16 CC(C)[C@H](N)C(N)=O M03135 [0,1,0,0,0,1|2,0,0]=4 772 B7R0.16 CN(C)C(=O)C(=O)O 023520 [0,1,0,0,0,1|2,0,0]=4 773 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 093733 [0,1,0,0,0,1|0,0,0]=2 774 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 104129 [0,1,0,0,0,1|0,0,0]=2 775 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O M02962 [0,1,0,0,0,1|0,0,0]=2 776 B7R0.5 C(F)(Br)C(=O)OCC 003215 [0,2,0,0,0,0|2,0,0]=4 777 B7R0.5 C(F)(Cl)C(=O)OCC 003216 [0,2,0,0,0,0|2,0,0]=4 778 B7R0.5 C(F)(F)C(=O)OCC 003219 [0,2,0,0,0,0|2,0,0]=4 779 B7R0.5 C=C(C)C(=O)OCC 098938 [0,2,0,0,0,0|1,0,1]=4 780 B7R0.5 C=CCC(C)C(=O)O 239804 [0,2,0,0,0,0|1,0,0]=3 781 B7R0.5 C=CC[C@@H](N)C(=O)O 218874 [0,2,0,0,0,0|1,0,0]=3 782 B7R0.5 C=CC[C@H](N)C(=O)O 062238 [0,2,0,0,0,0|1,0,0]=3 783 B7R0.5 C=COC(=O)C(=C)C 106340 [0,2,0,0,0,0|1,0,1]=4 784 B7R0.5 CC(C)C(=O)OCCl 424728 [0,2,0,0,0,0|1,0,0]=3 785 B7R0.5 CC(NC=O)C(=O)O 329655 [0,2,0,0,0,0|0,0,1]=3 786 B7R0.5 CCCC(Br)C(=O)O 114500 [0,2,0,0,0,0|1,0,0]=3 787 B7R0.5 CCCC(C)C(=O)Cl 014675 [0,2,0,0,0,0|2,0,0]=4 788 B7R0.5 CCCC(C)C(=O)O 239960 [0,2,0,0,0,0|1,0,0]=3 789 B7R0.5 CCCC(C)C(N)=O 103248 [0,2,0,0,0,0|2,0,0]=4 790 B7R0.5 CCCC(N)C(=O)O 044733 [0,2,0,0,0,0|1,0,0]=3 791 B7R0.5 CCC[C@@H](N)C(=O)O 044736 [0,2,0,0,0,0|1,0,0]=3 792 B7R0.5 CCC[C@H](N)C(=O)O 036432 [0,2,0,0,0,0|1,0,0]=3 793 B7R0.5 CCOC(=O)C(C)=O 033125 [0,2,0,0,0,0|0,0,2]=4 794 B7R0.5 CCOC(=O)C(C)Br 006095 [0,2,0,0,0,0|1,0,0]=3 795 B7R0.5 CCOC(=O)C(C)C 094936 [0,2,0,0,0,0|1,0,0]=3 796 B7R0.5 CCOC(=O)C(C)Cl 098895 [0,2,0,0,0,0|1,0,0]=3 797 B7R0.5 CCOC(=O)C(C)F 038173 [0,2,0,0,0,0|1,0,0]=3 798 B7R0.5 CCOC(=O)C(C)N 003681 [0,2,0,0,0,0|1,0,0]=3 799 B7R0.5 CCOC(=O)C(C)S 101529 [0,2,0,0,0,0|0,1,0]=3 800 B7R0.5 CCOC(=O)C(F)I 009177 [0,2,0,0,0,0|2,0,0]=4 801 B7R0.5 CCOC(=O)[C@H](C)N 003682 [0,2,0,0,0,0|1,0,0]=3 802 B7R0.5 CCOC(=O)[C@H](C)O 095008 [0,2,0,0,0,0|0,0,0]=2 803 B7R0.5 CC\C=C(/C)C(=O)O 002778 [0,2,0,0,0,0|1,0,1]=4 804 B7R0.5 CC\C=C(/C)C(=O)O 102663 [0,2,0,0,0,0|1,0,1]=4 805 B7R0.5 COC[C@@H](N)C(=O)O 079034 [0,2,0,0,0,0|1,0,0]=3 806 B7R0.5 COC[C@H](N)C(=O)O 093724 [0,2,0,0,0,0|1,0,0]=3 807 B7R0.5 CSC[C@H](N)C(=O)O 045340 [0,2,0,0,0,0|1,0,0]=3 808 B7R0.5 NCC[C@H](N)C(=O)O 493318 [0,2,0,0,0,0|1,0,0]=3 809 B7R0.5 NCC[C@H](O)C(=O)O 011347 [0,2,0,0,0,0|0,0,0]=2 810 B7R0.5 N[C@@H](CCO)C(=O)O 040037 [0,2,0,0,0,0|1,0,0]=3 811 B7R0.10 C=C(CBr)C(=O)OC 092639 [0,2,0,0,0,0|1,0,1]=4 812 B7R0.10 C=C(CO)C(=O)OC 092849 [0,2,0,0,0,0|0,0,2]=4 813 B7R0.10 CC(=N/O)\C(C)=N\O 241243 [0,2,0,0,0,0|1,0,1]=4 814 B7R0.10 CCC(=O)N(C)OC 306492 [0,2,0,0,0,0|2,0,0]=4 815 B7R0.10 CCC(Br)C(=O)OC 006777 [0,2,0,0,0,0|1,0,0]=3 816 B7R0.10 CCC(C)C(=O)NC 102997 [0,2,0,0,0,0|2,0,0]=4 817 B7R0.10 CCC(C)C(=O)OC 035885 [0,2,0,0,0,0|1,0,0]=3 818 B7R0.10 CCC(N)C(=O)OC 241817 [0,2,0,0,0,0|1,0,0]=3 819 B7R0.10 COC(=O)C(=O)CBr 214615 [0,2,0,0,0,0|0,0,2]=4 820 B7R0.10 COC(=O)C(=O)OC 094727 [0,2,0,0,0,0|0,0,2]=4 821 B7R0.10 COC(=O)[C@@H](C)CBr 053967 [0,2,0,0,0,0|1,0,0]=3 822 B7R0.10 COC(=O)[C@@H](N)CCl 390254 [0,2,0,0,0,0|1,0,0]=3 823 B7R0.10 COC(=O)[C@@H](N)CO M03012 [0,2,0,0,0,0|1,0,0]=3 824 B7R0.10 COC(=O)[C@@H](N)CS 045338 [0,2,0,0,0,0|1,0,0]=3 825 B7R0.10 COC(=O)[C@@H](O)CO 078180 [0,2,0,0,0,0|0,0,0]=2 826 B7R0.10 COC(=O)[C@H](C)CBr 104234 [0,2,0,0,0,0|1,0,0]=3 827 B7R0.10 COC(=O)[C@H](N)CO 045371 [0,2,0,0,0,0|1,0,0]=3 828 B7R0.10 CON(C)C(=O)CCl 230712 [0,2,0,0,0,0|2,0,0]=4 829 B7R0.10 C\C=C(/C)C(=O)OC 099352 [0,2,0,0,0,0|1,0,1]=4 830 B7R0.10 OC[C@H](O)[C@H](O)CO 003436 [0,2,0,0,0,0|0,0,2]=4 831 B7R0.10 O[C@H](CS)[C@H](O)CS M02712 [0,2,0,0,0,0|0,1,1]=4 832 B7R0.10 O[C@H](CS)[C@H](O)CS M02716 [0,2,0,0,0,0|0,1,1]=4 833 B7R0.13 CC(C)(CBr)C(=O)F 102113 [0,2,0,0,0,0|2,0,0]=4 834 B7R0.13 CC(C)(CBr)C(=O)O 094021 [0,2,0,0,0,0|1,0,0]=3 835 B7R0.13 CC(C)(CBr)C(N)=O 102689 [0,2,0,0,0,0|2,0,0]=4 836 B7R0.13 CC(C)(CCl)C(=O)Cl 099578 [0,2,0,0,0,0|2,0,0]=4 837 B7R0.13 CC(C)(CCl)C(=O)O 105948 [0,2,0,0,0,0|1,0,0]=3 838 B7R0.13 CC(C)(CO)C(=O)O 147000 [0,2,0,0,0,0|0,0,0]=2 839 B7R0.13 CCC(C)(C)C(=O)O 035602 [0,2,0,0,0,0|1,0,0]=3 840 B7R0.13 CCC(C)(C)C(C)=O 005871 [0,2,0,0,0,0|2,0,0]=4 841 B7R0.13 CCC(F)(F)C(=O)O 024845 [0,2,0,0,0,0|1,0,0]=3 842 B7R0.13 CC[C@](C)(N)C(=O)O 208668 [0,2,0,0,0,0|1,0,0]=3 843 B7R0.14 CC(C)(C)C(=O)CBr 538511 [0,2,0,0,0,0|2,0,0]=4 844 B7R0.14 CC(C)(C)C(=O)CCl 049259 [0,2,0,0,0,0|2,0,0]=4 845 B7R0.14 CC(C)(C)C(=O)CN 011349 [0,2,0,0,0,0|2,0,0]=4 846 B7R0.14 CC(C)(C)C(=O)NN 019316 [0,2,0,0,0,0|2,0,0]=4 847 B7R0.14 CC(C)(O)C(=O)NN 061445 [0,2,0,0,0,0|1,0,0]=3 848 B7R0.14 CNC(=O)C(C)(C)Br 216731 [0,2,0,0,0,0|2,0,0]=4 849 B7R0.14 COC(=O)C(C)(C)Br 235671 [0,2,0,0,0,0|1,0,0]=3 850 B7R0.14 COC(=O)C(C)(C)C 002957 [0,2,0,0,0,0|1,0,0]=3 851 B7R0.14 COC(=O)C(C)(C)F 208685 [0,2,0,0,0,0|1,0,0]=3 852 B7R0.14 COC(=O)C(C)(C)N 078725 [0,2,0,0,0,0|1,0,0]=3 853 B7R0.14 COC(=O)C(C)(C)O 240986 [0,2,0,0,0,0|0,0,0]=2 854 B7R0.14 COC(=O)C(C)(F)F 094170 [0,2,0,0,0,0|1,0,0]=3 855 B7R0.14 COC(=O)C(F)(F)Cl 001776 [0,2,0,0,0,0|2,0,0]=4 856 B7R0.14 COC(=O)C(F)(F)F 001026 [0,2,0,0,0,0|2,0,0]=4 857 B7R0.14 [2H]OC(=O)C(F)(F)F 099939 [0,2,0,0,0,0|2,0,0]=4 858 B7R0.14 [2H]OC(=O)C([2H])([2H])[2H] 099936 [0,2,0,0,0,0|2,0,0]=4 859 B7R0.14 [2H]OC(=O)C([2H])([2H])[2H] 099938 [0,2,0,0,0,0|2,0,0]=4 860 B7R0.15 CCC(CC)C(=O)Cl 099324 [0,2,0,0,0,0|2,0,0]=4 861 B7R0.15 CCC(CC)C(=O)O 237870 [0,2,0,0,0,0|1,0,0]=3 862 B7R0.15 CCC(CC)C(C)=O 046100 [0,2,0,0,0,0|2,0,0]=4 863 B7R0.15 CCC(CC)C(N)=O 103936 [0,2,0,0,0,0|2,0,0]=4 864 B7R0.15 COC(OC)C(C)=O 095023 [0,2,0,0,0,0|1,0,0]=3 865 B7R0.15 O=C(O)C(CBr)CBr 094009 [0,2,0,0,0,0|1,0,0]=3 866 B7R0.17 CC(C)(O)C(C)(C)O 166700 [0,2,0,0,0,0|1,0,1]=4 867 B5R1.2 BrC1COC1 107040 [1,0,0,1,0,0|1,0,1]=4 868 B5R1.2 BrC1COC1 223475 [1,0,0,1,0,0|1,0,1]=4 869 B5R1.2 IC1COC1 242158 [1,0,0,1,0,0|1,0,1]=4 870 B5R1.2 NC1COC1 320095 [1,0,0,1,0,0|1,0,1]=4 871 B5R1.2 O=C1CCC1 033237 [1,0,0,1,0,0|1,0,0]=3 872 B5R1.2 O=C1CCO1 167800 [1,0,0,1,0,0|0,0,0]=2 873 B5R1.2 O=C1COC1 044814 [1,0,0,1,0,0|1,0,0]=3 874 B5R1.2 OC1CCC1 003407 [1,0,0,1,0,0|1,0,1]=4 875 B5R1.2 OC1CNC1 013898 [1,0,0,1,0,0|1,0,1]=4 876 B5R1.2 OC1COC1 069085 [1,0,0,1,0,0|0,0,1]=3 877 B5R1.3 BrCC1CO1 BR1167 [1,0,0,1,0,0|1,0,1]=4 878 B5R1.3 CCC1CO1 046729 [1,0,0,1,0,0|1,0,1]=4 879 B5R1.3 ClCC1CO1 095340 [1,0,0,1,0,0|1,0,1]=4 880 B5R1.3 ClC[C@@H]1CO1 023907 [1,0,0,1,0,0|1,0,1]=4 881 B5R1.3 ClC[C@H]1CO1 023906 [1,0,0,1,0,0|1,0,1]=4 882 B5R1.3 O=CC1CC1 065337 [1,0,0,1,0,0|1,0,0]=3 883 B5R1.3 OCC1CC1 003372 [1,0,0,1,0,0|1,0,1]=4 884 B5R1.3 OCC1CO1 349304 [1,0,0,1,0,0|0,0,1]=3 885 B5R1.3 OC[C@@H]1CO1 208588 [1,0,0,1,0,0|0,0,1]=3 886 B5R1.3 OC[C@H]1CO1 091841 [1,0,0,1,0,0|0,0,1]=3 887 B5R1.5 CC1(C)CO1 150500 [1,0,0,1,0,0|1,0,1]=4 888 B7R1.2 CC1CCC(=O)N1 232918 [0,0,0,1,0,1|2,0,0]=4 889 B7R1.2 CC1CCC(=O)O1 243089 [0,0,0,1,0,1|2,0,0]=4 890 B7R1.2 CC1COC(=O)O1 044922 [0,0,0,1,0,1|1,0,0]=3 891 B7R1.2 C[C@@H]1COC(=O)O1 237778 [0,0,0,1,0,1|1,0,0]=3 892 B7R1.2 O=C1C[C@@H](O)CN1 047704 [0,0,0,1,0,1|1,0,0]=3 893 B7R1.2 O=C1C[C@H](O)CN1 093766 [0,0,0,1,0,1|1,0,0]=3 894 B7R1.2 O=C1OCC(F)O1 098380 [0,0,0,1,0,1|1,0,0]=3 895 B7R1.2 OC1CCC(O)C1 501728 [0,0,0,1,0,1|1,0,1]=4 896 B7R1.20 CC(=O)NC1CC1 103802 [0,0,0,1,0,1|2,0,0]=4 897 B7R1.20 O=C(O)CC1CC1 003710 [0,0,0,1,0,1|1,0,0]=3 898 B7R1.4 CC1CCCC1=O 217631 [0,1,0,1,0,0|2,0,0]=4 899 B7R1.4 CC1CCOC1=O 092467 [0,1,0,1,0,0|1,0,0]=3 900 B7R1.4 NC1CCNC1=O 047644 [0,1,0,1,0,0|2,0,0]=4 901 B7R1.4 NC1CCOC1=O 432676 [0,1,0,1,0,0|1,0,0]=3 902 B7R1.4 N[C@H]1CCOC1=O 078519 [0,1,0,1,0,0|1,0,0]=3 903 B7R1.4 O=C1NCCC1O 093757 [0,1,0,1,0,0|1,0,0]=3 904 B7R1.4 O[C@H]1CCC[C@H]1O 342198 [0,1,0,1,0,0|1,0,1]=4 905 B7R1.4 O[C@H]1CNC[C@@H]1O 224938 [0,1,0,1,0,0|1,0,1]=4 906 B7R1.4 O[C@H]1COC[C@H]1O 319812 [0,1,0,1,0,0|0,0,2]=4 907 B7R1.18 CC(=O)C1CCC1 513334 [0,1,0,1,0,0|2,0,0]=4 908 B7R1.18 NC(=O)C1CCC1 243268 [0,1,0,1,0,0|2,0,0]=4 909 B7R1.18 O=C(Cl)C1CCC1 009110 [0,1,0,1,0,0|2,0,0]=4 910 B7R1.18 O=C(O)C1CCC1 003366 [0,1,0,1,0,0|1,0,0]=3 911 B7R1.18 O=C(O)C1CCN1 047646 [0,1,0,1,0,0|1,0,0]=3 912 B7R1.18 O=C(O)C1CNC1 035210 [0,1,0,1,0,0|1,0,0]=3 913 B7R1.18 O=C(O)C1CNC1 040102 [0,1,0,1,0,0|1,0,0]=3 914 B7R1.19 NC(=O)C1(Br)CC1 244431 [0,1,0,1,0,0|2,0,0]=4 915 B7R1.19 NC1(C(=O)O)CC1 043411 [0,1,0,1,0,0|1,0,0]=3 916 B7R1.19 O=C(O)C1(Br)CC1 043233 [0,1,0,1,0,0|1,0,0]=3 917 B7R1.22 CNC(=O)C1CC1 527999 [0,1,0,1,0,0|2,0,0]=4 918 B7R1.22 COC(=O)C1CC1 022090 [0,1,0,1,0,0|1,0,0]=3 919 B7R1.22 COC(=O)[C@H]1CO1 225417 [0,1,0,1,0,0|0,0,0]=2 920 B7R1.22 C\C(=N/O)C1CC1 075938 [0,1,0,1,0,0|2,0,0]=4 921 B7R1.22 NNC(=O)C1CC1 026730 [0,1,0,1,0,0|2,0,0]=4 922 B7R1.22 N\C(=N/O)C1CC1 092428 [0,1,0,1,0,0|2,0,0]=4 923 B7R1.22 O=C(CBr)C1CC1 064670 [0,1,0,1,0,0|2,0,0]=4 924 B7R1.22 [C@@H]1(C(=O)OC)CO1 493582 [0,1,0,1,0,0|0,0,0]=2 925 B7R0.6 CC(=O)CCC(=O)O 079484 [0,0,0,0,0,2|0,0,2]=4 926 B7R0.6 CC(=O)CCC(C)C 106440 [0,0,0,0,0,2|2,0,0]=4 927 B7R0.6 CC(=O)NCC(=O)O 097974 [0,0,0,0,0,2|0,0,2]=4 928 B7R0.6 CC(=O)NCC(C)C 103683 [0,0,0,0,0,2|2,0,0]=4 929 B7R0.6 CC(=O)OCC(=O)O 228175 [0,0,0,0,0,2|0,0,2]=4 930 B7R0.6 CC(=O)OCC(C)C 095004 [0,0,0,0,0,2|2,0,0]=4 931 B7R0.6 CC(C)COC(=O)Cl 046752 [0,0,0,0,0,2|2,0,0]=4 932 B7R0.6 CC(C)SCC(=O)O 311009 [0,0,0,0,0,2|1,0,0]=3 933 B7R0.6 CC(C)\C=C\C(=O)O 011183 [0,0,0,0,0,2|1,0,0]=3 934 B7R0.6 CC(O)C#CC(C)O 242593 [0,0,0,0,0,2|1,0,1]=4 935 B7R0.6 CC(O)CCC(C)O 241359 [0,0,0,0,0,2|1,0,1]=4 936 B7R0.6 CN(C)CCC(=O)O 046799 [0,0,0,0,0,2|2,0,0]=4 937 B7R0.6 N=C(O)CCC(=O)O 103305 [0,0,0,0,0,2|1,0,1]=4 938 B7R0.6 O=C(O)CCC(=O)O 104604 [0,0,0,0,0,2|1,0,1]=4 939 B7R0.6 O=C(O)CCC(=O)O 239121 [0,0,0,0,0,2|1,0,1]=4 940 B7R0.6 O=C(O)\C=C/C(=O)O 152300 [0,0,0,0,0,2|1,0,1]=4 941 B7R0.6 O=C(O)\C=C\C(=O)O 094517 [0,0,0,0,0,2|1,0,1]=4