0 B14R2.28472 CC1=C(N)C=C2C=CC=C(F)C2=N1 W11421 [0,0,0,0,0,0|2,0,1]=3 1 B14R2.28472 CC1=CC2=C(NC1=O)C(Cl)=NC=C2 D73553 [0,0,0,0,0,0|2,1,0]=3 2 B14R2.28472 CC1=CC2=CC=CC(Br)=C2NC1=O D73563 [0,0,0,0,0,0|1,1,0]=2 3 B14R2.28472 CC1=CC=CC2=C1NC(=O)C(=O)N2 F31282 [0,0,0,0,0,0|2,0,1]=3 4 B14R2.28472 OC1=CC2=CC=NC(Cl)=C2C=C1Br F51328 [0,0,0,0,0,0|3,1,0]=4 5 B13R2.162 FC1=C2N=C(Cl)C=CC2=CN=C1 AT24650 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.162 NC1=CC=C2C=CC=C(O)C2=C1 N14312 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.369 CC1=CC2=CC=CC=C2C=C1N D88160 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.369 NC1=CC2=C(C=CC=C2)NC1=O AC9491 [1,0,0,0,0,0|1,0,0]=2 9 B13R2.5179 CC1=C2C=CC(O)=CC2=CC=C1 N14584 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.5179 FC1=C2C=CC(Br)=NC2=CC=C1 D71269 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.5179 FC1=C2C=NC(Cl)=CC2=CC=C1 AT17179 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.5179 FC1=CC=C2C(Br)=CC=CC2=C1 AT23038 [1,0,0,0,0,0|2,1,0]=4 13 B13R2.5179 NC1=C2C=CC(F)=CC2=CC=C1 AT23037 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.5179 NC1=C2C=CC(F)=CC2=CC=C1 F53478 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.5179 NC1=CC=C2C(Br)=CC=CC2=C1 AT10620 [1,0,0,0,0,0|2,1,0]=4 16 B13R2.5179 NC1=CC=C2C(F)=CC=CC2=N1 D71271 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.5179 OC1=CC=C2C(F)=CC=CC2=N1 D71270 [1,0,0,0,0,0|2,0,0]=3 18 B15R2.2039 CCC1=CC2=C(NC1=O)C(Cl)=NC=C2 D73556 [0,1,0,0,0,0|2,1,0]=4 19 B15R2.13612 CC1=C(O)C2=CC=CC(Br)=C2NC1=O D73562 [0,1,0,0,0,0|1,1,0]=3 20 B13R1.202 CC1=C(CC(=O)C(=O)O)C=CC=C1 C92179 [0,0,1,0,0,0|3,0,0]=4 21 B13R1.202 O=C(O)C(=O)CC1=C(F)C=CC=C1 C91157 [0,0,1,0,0,0|2,0,0]=3 22 B13R2.4825 C[C@@H]1C(=O)NC2=C(Br)C=CC=C21 D72111 [0,0,0,0,1,0|1,1,1]=4 23 B12R1.1009 O=C(O)CC1=C(I)C=CC=C1F AT25198 [1,0,1,0,0,0|2,0,0]=4 24 B12R2.24 OC1=CC2=NC=CC=C2N=C1 F53687 [2,0,0,0,0,0|1,0,1]=4 25 B12R2.24 [2H]C1=CC2=CC=CC=C2N=C1 AC4553 [2,0,0,0,0,0|1,0,1]=4 26 B12R2.24 [2H]C1=NC2=CC=CC=C2C=C1 AC4552 [2,0,0,0,0,0|1,0,1]=4 27 B12R2.1081 [2H]C1=C2N=CC=CC2=CC=C1 AC4558 [2,0,0,0,0,0|1,0,1]=4 28 B14R1.6049 O=C(O)C(=O)CC1=C(F)C=C(F)C=C1 C91208 [0,1,1,0,0,0|2,0,0]=4 29 B14R2.4513 O=C1C=CC2=CC=C(F)C(Br)=C2N1 D73567 [1,1,0,0,0,0|0,1,0]=3 30 B14R2.8235 CC1=CC(Br)=C2NC(=O)C=CC2=C1 D73423 [1,1,0,0,0,0|0,1,0]=3 31 B14R2.8751 CC1=C2C=CC(Cl)=NC2=C(F)C=C1 AT13785 [1,1,0,0,0,0|1,0,1]=4 32 B14R2.8751 O=C1CCC2=C(O)C=CC(F)=C2N1 P19409 [1,1,0,0,0,0|0,0,2]=4 33 B14R2.1128 N#CC1=NC2=C(C=CC=C2)NC1=O E70195 [1,1,0,0,0,0|2,0,0]=4 34 B14R2.1801 COC1=CC=C2C(Br)=CC=CC2=C1 AT25629 [1,1,0,0,0,0|1,1,0]=4 35 B14R2.1801 COC1=CN=C2C(Br)=CC=CC2=C1 K10295 [1,1,0,0,0,0|0,1,1]=4 36 B14R2.1801 NCC1=CN=C2C(F)=CC=CC2=C1 74982 [1,1,0,0,0,0|1,0,1]=4 37 B14R2.29369 OC1=CN=C2C(=C1)C=CC(F)=C2F 73639 [1,1,0,0,0,0|0,0,1]=3 38 B14R2.4220 CC1=C(C=O)C2=CC=CC(F)=C2N1 AT15905 [0,1,0,0,1,0|1,0,1]=4 39 B14R2.19007 CC1=C(C=O)C2=C(F)C=CC=C2N1 AT15870 [0,1,0,0,1,0|2,0,0]=4 40 B16R2.126889 C[C@H](O)C1=CC2=CC=CC(F)=C2N=C1Cl CS2322 [0,2,0,0,0,0|1,0,1]=4 41 B14R2.4529 CC(=O)C1=CC2=C(C=CC(N)=C2)O1 D73255 [0,0,1,1,0,0|2,0,0]=4 42 B14R2.7969 CC(=O)C1=CC2=CC=CC(F)=C2O1 D73264 [0,0,1,1,0,0|1,0,0]=3 43 B12R2.202 CC1=CC2=CC=CC(F)=C2N1 AT16035 [1,0,0,0,1,0|1,0,0]=3 44 B12R2.202 O=C1CC2=C(N1)C(F)=NC=C2 D72981 [1,0,0,0,1,0|1,0,1]=4 45 B12R2.18 O=C1NC2=C(N=CC=C2)C1=O C14907 [1,0,0,0,1,0|1,0,1]=4 46 B12R2.196 FC1=CN=CC2=C1NC=C2Br 89151 [1,0,0,0,1,0|2,0,0]=4