0 B10R1.15 C=C(CO)C1=CC=CC=N1 180101 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 CCC(C)C1=NC=CC=C1 102205 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 C\C(=N\O)C1=CC=CC=C1 184803 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 OC(CF)c1ccccc1 195755 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 CC(C)[N+]1=CC=CC=C1 184885 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.8 CCC[N+]1=CC=CC=C1 243010 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 CCOC1=CC=CN=C1 180053 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.8 N#CC[N+]1=CC=CC=C1 181003 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.7 OCC(F)(F)C1=CC=CC=C1 246466 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.12 O\N=C(\CCl)C1=CC=CC=C1 180348 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.16 CC(CCO)C1=CC=NC=C1 032552 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.16 CCCC(C)C1=NC=CC=C1 102203 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.16 C\C(=C/CO)C1=NC=CC=C1 099298 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 180337 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.36 CC(C(=O)Cl)C1=CC=CC=C1 014722 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.36 CC(C)C(C)C1=NC=CC=C1 180184 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 209966 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 209970 [0,1,0,0,0,0|2,0,0]=3 19 B11R2.1 BrC1=NNC2=C1C=CC=C2 079923 [0,0,0,1,0,0|2,0,1]=4 20 B11R2.1 [O-][N+]1=CNC2=CC=CC=C21 180092 [0,0,0,1,0,0|2,0,1]=4 21 B11R2.4 CC1CC1C2=CC=NC=C2 032688 [0,0,0,1,0,0|2,0,0]=3 22 B11R2.40 CC1(C2=CC=NC=C2)CC1 032665 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.11 CC(CO)N1C=CC=N1 038543 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.11 CCC(O)C1=CC=CO1 105062 [0,0,0,0,1,0|3,0,0]=4 25 B11R1.40 CCC(C)SC1=CC=CC=C1 094611 [0,0,0,0,0,1|1,0,0]=2 26 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 048350 [0,0,0,0,0,1|2,0,0]=3 27 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 032678 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.13 CN(C)C1=NC=C(Br)C=C1 093291 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.28 CC(F)(F)C1=CC=NC=C1 038381 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.28 CC(F)(F)C1=CN=CC=C1 038382 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.28 CC(F)(F)C1=NC=CC=C1 038380 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.1 CC1=CN=C(CCO)C=C1 032578 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.4 CNCC1=CC=CC=C1Cl 060304 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.4 [O-][N+]1=CC=CC=C1CCO 180119 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.10 C=CCC1=CC(Br)=CC=C1 200068 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.10 CC1=CC=CC(CCBr)=C1 020899 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.10 CCCC1=CC(N)=NC=C1 024686 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.10 CCSC1=CC(C)=CC=C1 094840 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.10 CCSC1=CC(Cl)=CC=C1 095029 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.10 CNCC1=CC=CC(Cl)=C1 222557 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.10 [C-]#[N+]CC1=CC=CC(Cl)=C1 021061 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.17 CCCCC1=CC=CC=N1 180367 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.17 N#CCCC1=CC=NC=C1 024695 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.17 NCCOC1=CN=CC=C1 044845 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.17 O\N=C\CC1=CC=CC=C1 180100 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.50 CCC(C)OC1=CC=CC(Br)=C1 097851 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.9 FC(F)(CBr)C1=CC=C(Br)C=C1 036197 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.9 FC1=CC=C(C(F)(F)CBr)C=C1 094682 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.9 FC1=CC=C(C(F)(F)CCl)C=C1 101653 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.3 CCC(CCO)C1=CC=NC=C1 180312 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.243 CC1=CC=CN=C1C(CO)CO 099067 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.243 CCC(CC)C1=C(C)C=NC=C1 032689 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.30 C\C=C\CC(C)C1=NC=CC=C1 102233 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.564 CC(C1=CC=CC=C1)P(=O)(O)O 180517 [0,2,0,0,0,0|2,0,0]=4 55 B10R2.6 C1=CC(C2CC2)=CC=N1 024707 [1,0,0,1,0,0|1,0,0]=3 56 B12R2.24 CC1COC2=CC=CC=C2N1 068859 [0,0,0,1,0,1|1,0,0]=3 57 B12R2.1081 CC1CCNC2=C1C=CC=C2 320047 [0,1,0,1,0,0|0,0,0]=2 58 B12R2.2028 CN1C=[N+](C)C2=C1C=CC=C2 182043 [0,1,0,1,0,0|1,0,1]=4 59 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 064446 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.7 CC([NH3+])C1=CC=CS1 031057 [1,0,0,0,1,0|1,0,1]=4 61 B12R1.27 CCC(C)SCC1=CC=CC=C1 094712 [0,0,0,0,0,2|1,0,0]=3