0 B9R1.3 CC1=C(N)C(S)=CC=C1 203524 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.3 CC1=NC=CC(Br)=C1Br 202826 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.3 CC1=NC=CC(Cl)=C1Br 202277 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.3 CC1=NC=CC(Cl)=C1Cl 201152 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.3 CC1=NC=CC(N)=C1Br 201153 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.3 CC1=NC=CC(N)=C1Cl 201142 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.3 NC1=C(Br)C=CC=C1S 203526 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.3 NC1=C(Cl)C=CC=C1S 203525 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.3 NC1=C(F)C=CC=C1S 203527 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.3 NC1=CC=CC(Cl)=C1S 203571 [0,0,0,0,0,0|2,1,0]=3 10 B9R1.3 [NH3+]C1=C(Cl)C=CC=C1S 203588 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.3 [NH3+]C1=C(F)C=CC=C1S 203687 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.3 [NH3+]C1=CC=CC(Cl)=C1S 203141 [0,0,0,0,0,0|2,1,0]=3 13 B8R1.4 CC1=NC=CC(N)=C1 201006 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.2 COC1=C(N)C(S)=CC=C1 203528 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.22 NC1=C(Cl)C=C(Cl)C=C1S 203814 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.22 NC1=CC(Cl)=CC(Cl)=C1S 203813 [0,1,0,0,0,0|2,1,0]=4 17 B10R1.119 CC1=C([NH3+])C(S)=C(C)C=C1 203706 [0,1,0,0,0,0|1,1,0]=3 18 B10R1.119 CC1=NC=C(Br)C(N)=C1Br 201143 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.119 CC1=NC=C(Cl)C(Br)=C1Cl 202825 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.119 CC1=NC=C(Cl)C(Cl)=C1Br 202829 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.119 CC1=NC=C(Cl)C(Cl)=C1Cl 201005 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.119 CC1=NC=C(Cl)C(N)=C1Br 202827 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.119 CC1=NC=C(Cl)C(N)=C1Cl 201151 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.119 NC1=C(Cl)C(Cl)=CC=C1S 203817 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.119 NC1=C(Cl)C=CC(Cl)=C1S 203818 [0,1,0,0,0,0|2,1,0]=4 26 B10R1.119 NC1=CC=C(Cl)C(Cl)=C1S 203815 [0,1,0,0,0,0|2,1,0]=4 27 B10R1.119 NC1=CC=C(F)C(F)=C1S 203694 [0,1,0,0,0,0|2,1,0]=4 28 B10R1.119 [NH3+]C1=C(Cl)C=CC(Cl)=C1S 203820 [0,1,0,0,0,0|2,1,0]=4 29 B9R1.2 CSC1=CC(N)=NC=C1 204435 [1,1,0,0,0,0|2,0,0]=4 30 B9R1.69 CC1=CC=C(N)C(S)=C1 203553 [1,1,0,0,0,0|1,0,0]=3 31 B9R1.69 CC1=CC=C(S)C(N)=C1 203537 [1,1,0,0,0,0|1,0,0]=3 32 B9R1.69 CC1=CC=C(S)C([NH3+])=C1 203538 [1,1,0,0,0,0|1,0,0]=3 33 B9R1.69 CC1=CC=C([NH3+])C(S)=C1 203554 [1,1,0,0,0,0|1,0,0]=3 34 B9R1.69 CC1=NC=C(Br)C(Br)=C1 202274 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.69 CC1=NC=C(Br)C(N)=C1 202272 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.69 CC1=NC=C(Cl)C(Cl)=C1 201150 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.69 CC1=NC=C(Cl)C(N)=C1 201147 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.69 NC1=CC(Br)=CC=C1S 203542 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.69 NC1=CC(F)=CC=C1S 203544 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.69 NC1=CC(N)=C(O)C=C1 RT-R05-066 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.69 NC1=CC=C(Br)C=C1S 203557 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.69 NC1=CC=C(Cl)C=C1S 203555 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.69 NC1=CC=C(F)C=C1S 203559 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.69 [NH3+]C1=CC(Br)=CC=C1S 203541 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.69 [NH3+]C1=CC(Cl)=CC=C1S 203539 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.69 [NH3+]C1=CC(F)=CC=C1S 203543 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.69 [NH3+]C1=CC=C(Br)C=C1S 203558 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.69 [NH3+]C1=CC=C(Cl)C=C1S 203556 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.69 [NH3+]C1=CC=C(F)C=C1S 203560 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.13 CCOC1=C(N)C(S)=CC=C1 203529 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.265 COC1=C(NCl)C(S)=CC=C1 203531 [0,2,0,0,0,0|2,0,0]=4 52 B11R2.106 CC1=C2N=CSC2=CC=C1 203477 [0,1,0,1,0,0|1,0,1]=4 53 B11R2.106 CC1=C2SC=NC2=CC=C1 203750 [0,1,0,1,0,0|0,1,1]=4