0 B9R1.69 CC1=CC=C(N)C(S)=C1 203553 [1,0,0,0,0,0|1,1,0]=3 1 B9R1.69 CC1=CC=C(S)C(N)=C1 203537 [1,0,0,0,0,0|1,1,0]=3 2 B9R1.69 CC1=CC=C(S)C([NH3+])=C1 203538 [1,0,0,0,0,0|1,1,0]=3 3 B9R1.69 CC1=CC=C([NH3+])C(S)=C1 203554 [1,0,0,0,0,0|1,1,0]=3 4 B9R1.69 CC1=NC=C(Br)C(Br)=C1 202274 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.69 CC1=NC=C(Br)C(N)=C1 202272 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.69 CC1=NC=C(Cl)C(Cl)=C1 201150 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.69 CC1=NC=C(Cl)C(N)=C1 201147 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.69 NC1=CC(Br)=CC=C1S 203542 [1,0,0,0,0,0|2,1,0]=4 9 B9R1.69 NC1=CC(F)=CC=C1S 203544 [1,0,0,0,0,0|2,1,0]=4 10 B9R1.69 NC1=CC(N)=C(O)C=C1 RT-R05-066 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.69 NC1=CC=C(Br)C=C1S 203557 [1,0,0,0,0,0|2,1,0]=4 12 B9R1.69 NC1=CC=C(Cl)C=C1S 203555 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.69 NC1=CC=C(F)C=C1S 203559 [1,0,0,0,0,0|2,1,0]=4 14 B9R1.69 [NH3+]C1=CC(Br)=CC=C1S 203541 [1,0,0,0,0,0|2,1,0]=4 15 B9R1.69 [NH3+]C1=CC(Cl)=CC=C1S 203539 [1,0,0,0,0,0|2,1,0]=4 16 B9R1.69 [NH3+]C1=CC(F)=CC=C1S 203543 [1,0,0,0,0,0|2,1,0]=4 17 B9R1.69 [NH3+]C1=CC=C(Br)C=C1S 203558 [1,0,0,0,0,0|2,1,0]=4 18 B9R1.69 [NH3+]C1=CC=C(Cl)C=C1S 203556 [1,0,0,0,0,0|2,1,0]=4 19 B9R1.69 [NH3+]C1=CC=C(F)C=C1S 203560 [1,0,0,0,0,0|2,1,0]=4 20 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 202335 [0,1,0,0,0,0|2,0,0]=3 21 B11R2.36 CC1=CC=C2N=CSC2=C1 203501 [0,0,0,1,0,0|2,1,0]=4 22 B11R2.36 CC1=CC=C2SC=NC2=C1 203487 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.3 CC1=NC=C(Br)C=C1 201345 [2,0,0,0,0,0|2,0,0]=4 24 B8R1.3 CC1=NC=C(Cl)C=C1 201146 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.3 CC1=NC=C(N)C=C1 201145 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.4 CC1=NC=CC(N)=C1 201006 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.13 O=C(O)C1=CC=C(O)C=C1 RT-R05-056 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.119 CC1=C([NH3+])C(S)=C(C)C=C1 203706 [1,1,0,0,0,0|0,1,1]=4 29 B12R2.246 CC1=CC(C)=C2N=CSC2=C1 203741 [0,1,0,1,0,0|1,1,0]=4 30 B12R2.246 CC1=CC(C)=C2SC=NC2=C1 203808 [0,1,0,1,0,0|2,0,0]=4 31 B12R2.606 CC1=CC=C2N=C(Br)SC2=C1 201046 [0,1,0,1,0,0|1,1,0]=4 32 B12R2.606 CC1=CC=C2N=C(Cl)SC2=C1 201045 [0,1,0,1,0,0|1,1,0]=4 33 B12R2.606 CC1=CC=C2N=C(N)SC2=C1 201334 [0,1,0,1,0,0|1,1,0]=4 34 B12R2.606 CC1=CC=C2N=C(O)SC2=C1 201047 [0,1,0,1,0,0|0,1,1]=4 35 B12R2.606 CC1=CC=C2SC(Br)=NC2=C1 203150 [0,1,0,1,0,0|2,0,0]=4 36 B12R2.606 CC1=CC=C2SC(Cl)=NC2=C1 203149 [0,1,0,1,0,0|2,0,0]=4 37 B12R2.606 CC1=CC=C2SC(N)=NC2=C1 203148 [0,1,0,1,0,0|2,0,0]=4 38 B12R2.606 CC1=CC=C2SC(O)=NC2=C1 203151 [0,1,0,1,0,0|1,0,1]=4