0 B16R2.685 N#C/C(=C/C1=CC=CS1)/C2=CC=CC=C2 S887226 [0,0,0,0,0,0|1,1,1]=3 1 B16R2.685 N#C/C(=C\C1=CC=CO1)/C2=CC=CC=C2 S814202 [0,0,0,0,0,0|1,0,1]=2 2 B15R2.1259 O=C(CN1C=CC=N1)C2=CC=CC=C2 S295264 [1,0,0,0,0,0|2,0,1]=4 3 B15R2.1259 O=C(NC1=NC=CS1)C2=CC=CC=C2 L319759 [1,0,0,0,0,0|2,1,0]=4 4 B15R2.1259 O=C(NC1=NOC=C1)C2=CC=CC=C2 T314994 [1,0,0,0,0,0|3,0,0]=4 5 B15R2.1259 [O-]/[N+](=C\C1=CC=CO1)/C2=CC=CC=C2 R254797 [1,0,0,0,0,0|1,0,1]=3 6 B17R2.164 N#C/C(=C/C1=CC=CO1)/C2=CC=C(C=C2)F T341150 [0,1,0,0,0,0|1,0,1]=3 7 B17R2.164 N#C/C(=C\C1=CC=CO1)/C2=CC=C(C=C2)Cl S887196 [0,1,0,0,0,0|1,0,1]=3 8 B17R2.164 N#C/C(=C\C1=CC=CS1)/C2=CC=C(C=C2)Cl S887218 [0,1,0,0,0,0|1,1,1]=4 9 B17R2.2293 N#CC(C(=O)C1=CC=CO1)C2=CC=CC=C2 PH010442 [0,1,0,0,0,0|1,0,2]=4 10 B17R2.6046 N#C/C(=C\C1=CC=CS1)/C2=CC=CC(=C2)Cl R128953 [0,1,0,0,0,0|1,1,1]=4 11 B17R2.21294 O=C(O)/C(=C/C1=CC=CS1)/C2=CC=CC=C2 KOB0054 [0,1,0,0,0,0|0,1,0]=2 12 B17R3.1941 C1=CC=C(C=C1)C2=CC3=C(C=C2)OC=N3 S128996 [0,0,0,1,0,0|3,0,0]=4 13 B17R3.1941 C1=CC=C(C=C1)C2=CC=C3NC=CC3=C2 PH009927 [0,0,0,1,0,0|3,0,0]=4 14 B17R3.85849 COC1=CC2=C(C=CC2)C3=C1C=CC=C3 R162256 [0,0,0,1,0,0|3,0,0]=4 15 B15R2.131 O/N=C(\C1=CC=CC=C1)/C2=CC=CO2 S826081 [0,0,0,0,1,0|1,0,1]=3 16 B14R2.101 C1=CC=C(C=C1)/C=C/C2=NC=CN2 PH000164 [2,0,0,0,0,0|2,0,0]=4 17 B14R2.101 C1=CC=C(C=C1)/N=C/C2=CC=CS2 PH000325 [2,0,0,0,0,0|1,1,0]=4 18 B14R2.101 C1=CC=C(N=C1)/C=C/C2=CC=CO2 PH008224 [2,0,0,0,0,0|1,0,0]=3 19 B14R2.101 C1=CC=C(N=C1)/C=C/C2=CC=CS2 PH008210 [2,0,0,0,0,0|1,1,0]=4 20 B16R2.2829 CC1=CC=C(S1)NC(=O)C2=CC=CC=C2 T321923 [1,1,0,0,0,0|1,1,0]=4 21 B16R2.6780 CN(C(=O)C1=CC=CO1)C2=CC=CC=C2 R578460 [1,1,0,0,0,0|1,0,1]=4 22 B16R2.6780 O=C(C1=CC=CO1)C(O)C2=CC=CC=C2 PH007596 [1,1,0,0,0,0|0,0,2]=4 23 B16R2.189 O/N=C(\C1=CC=C(C=C1)Cl)/C2=CC=CO2 TMT00457 [0,1,0,0,1,0|1,0,1]=4 24 B18R2.2315 O=C/C(=C(/Cl)\C1=CC=CC=C1)/C2=CC=CC=C2 JRD1592 [0,1,0,0,0,1|1,0,0]=3 25 B18R2.4111 CC(=O)/C(=C\C1=CC=CC=C1)/C2=CC=CC=C2 S149187 [0,1,0,0,0,1|1,0,0]=3 26 B18R2.4111 O=C(O)/C(=C/C1=CC=CC=C1)/C2=CC=CC=C2 S149055 [0,1,0,0,0,1|1,0,0]=3 27 B18R2.4111 O=[N+]([O-])/C(=C\C1=CC=CC=C1)/C2=CC=CC=C2 T329991 [0,1,0,0,0,1|2,0,0]=4 28 B18R2.2597 COC1=CC=C(C=C1)/C(=C\C2=CC=CO2)/C#N S887234 [0,2,0,0,0,0|1,0,1]=4 29 B16R2.24 CC1=C(C=CC=C1C=O)C2=CC=CC=C2 PH017771 [0,0,1,1,0,0|1,0,1]=4 30 B16R2.187 BrC=C(C1=CC=CC=C1)C2=CC=CC=C2 S442003 [0,0,1,1,0,0|2,0,0]=4 31 B18R3.112 O=C\1C2=C(C=CC=C2)N/C1=C/C3=CC=CO3 R127159 [0,0,0,1,0,1|0,0,0]=2 32 B18R3.6371 O=C\1NC2=C(/C1=C/C3=CC=CO3)C=CC=C2 R127108 [0,1,0,1,0,0|0,0,0]=2 33 B18R3.6371 O=C\1NC2=CC=CC=C2/C1=C/C3=CC=CS3 T119008 [0,1,0,1,0,0|0,1,0]=3 34 B14R2.114 NC(C1=CC=CC=C1)C2=CC=CO2 CBR00765 [1,0,0,0,1,0|1,0,1]=4 35 B14R2.114 O=C(C1=CC=CN=C1)C2=CC=CS2 CDS018295 [1,0,0,0,1,0|1,1,0]=4 36 B16R2.88 O=C(CC1=CC=NC=C1)C2=CC=CC=C2 T313602 [1,0,0,0,0,1|1,0,1]=4 37 B16R2.88 O=C(NC1=CC=NC=C1)C2=CC=CC=C2 S936596 [1,0,0,0,0,1|2,0,0]=4 38 B16R2.5767 O=C(/C=C/C1=CC=CN1)C2=CC=CC=C2 R246360 [1,0,0,0,0,1|1,0,0]=3 39 B16R2.5767 O=C(/C=C/C1=CC=CO1)C2=CC=NC=C2 S232041 [1,0,0,0,0,1|1,0,0]=3 40 B16R2.5767 O=C(C=CC1=CC=CO1)C2=CN=CC=C2 S232831 [1,0,0,0,0,1|1,0,0]=3 41 B16R2.5767 O=C(C=CC1=CC=CS1)C2=CC=CC=N2 S218464 [1,0,0,0,0,1|1,1,0]=4 42 B16R2.5767 O=C(C=CC1=CC=CS1)C2=CC=CN=C2 S218383 [1,0,0,0,0,1|1,1,0]=4 43 B16R2.5767 O=C(NCC1=CC=CO1)C2=CC=CC=C2 R179698 [1,0,0,0,0,1|0,0,1]=3 44 B16R2.5767 O=C(NCC1=CC=CS1)C2=CC=CC=C2 PH008395 [1,0,0,0,0,1|0,1,1]=4