0 B13R2.369 OC1=NC2=CC=CC=C2C=C1Br 4032198 [0,0,0,0,0,0|2,0,2]=4 1 B12R2.24 BrC1=CC2=C(C=C1)C=NC=N2 4108282 [1,0,0,0,0,0|3,0,0]=4 2 B12R2.24 BrC1=CN=C2N=CC=NC2=C1 4029583 [1,0,0,0,0,0|2,0,1]=4 3 B12R2.24 NC1=CC=C2C=CC=NC2=C1 4018528 [1,0,0,0,0,0|2,0,0]=3 4 B12R2.24 NC1=CC=C2N=CC=NC2=C1 4100080 [1,0,0,0,0,0|3,0,0]=4 5 B14R2.1128 O=CC1=CC2=CC=CC=C2NC1=O 4003194 [0,1,0,0,0,0|1,0,1]=3 6 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl 4030706 [0,1,0,0,0,0|2,0,1]=4 7 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C21 4033761 [0,1,0,0,0,0|2,0,1]=4 8 B14R2.8188 CN1C(=O)C(Br)=CC2=C1C=CC=C2 4031359 [0,1,0,0,0,0|2,0,0]=3 9 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4027804 [0,0,1,0,0,0|2,0,0]=3 10 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 4011261 [0,0,0,0,1,0|2,0,1]=4 11 B11R1.91 O=C(O)CNC1=CC=CN=C1 4110417 [1,0,1,0,0,0|1,0,1]=4 12 B11R1.86 CC(=O)NC1=CC=CN=C1Cl 9070591 [1,0,1,0,0,0|1,0,1]=4 13 B11R1.86 CC1=C(CC(=O)O)N=CC=C1 4081067 [1,0,1,0,0,0|1,0,1]=4 14 B13R1.133 CC1=CC=C(NC(=O)C(=O)O)C=C1 4031042 [0,1,1,0,0,0|2,0,0]=4 15 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 4027133 [0,1,1,0,0,0|2,0,0]=4 16 B13R1.148 O=C(O)C(=O)NC1=CC(Cl)=CC=C1 4030253 [0,1,1,0,0,0|2,0,0]=4 17 B13R1.148 O=C(O)C(=O)NC1=CC=CC(F)=C1 4026865 [0,1,1,0,0,0|2,0,0]=4 18 B13R1.152 CN(C(=O)C(=O)O)C1=CC=CC=C1 4028185 [0,1,1,0,0,0|2,0,0]=4 19 B13R1.202 CC1=CC=CC=C1NC(=O)C(=O)O 4027011 [0,1,1,0,0,0|2,0,0]=4 20 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1Cl 4030004 [0,1,1,0,0,0|2,0,0]=4 21 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1F 4027050 [0,1,1,0,0,0|2,0,0]=4 22 B13R2.32 CC1=C(O)C2=NC=CC=C2C=C1 5175128 [1,1,0,0,0,0|2,0,0]=4 23 B13R2.32 CC1=C(O)C=CC2=CC=CC=C21 4021629 [1,1,0,0,0,0|2,0,0]=4 24 B13R2.32 OC1=C2N=CC=CC2=CC=C1F 4102020 [1,1,0,0,0,0|2,0,0]=4 25 B13R2.57 NCC1=CC2=CC=CN=C2C=C1 4004342 [1,1,0,0,0,0|2,0,0]=4 26 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 4300501 [1,1,0,0,0,0|1,0,1]=4 27 B13R2.155 NC1=CC=C2C=CC(=O)NC2=C1 4038499 [1,1,0,0,0,0|1,0,0]=3 28 B13R2.155 NC1=NC2=C(C=CC(=O)N2)C=C1 4027370 [1,1,0,0,0,0|2,0,0]=4 29 B13R2.155 O=C1C=CC2=CC=C(Br)C=C2N1 4037918 [1,1,0,0,0,0|1,0,0]=3 30 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=C1 4037458 [1,1,0,0,0,0|1,0,0]=3 31 B13R2.162 CC1=CC=C2N=CC=C(O)C2=C1 4040203 [1,1,0,0,0,0|2,0,0]=4 32 B13R2.162 ClC1=CC=C2N=CC=C(Cl)C2=C1 4029008 [1,1,0,0,0,0|2,0,0]=4 33 B13R2.162 ClC1=CC=NC2=CC=C(Br)C=C12 4043700 [1,1,0,0,0,0|2,0,0]=4 34 B13R2.162 NC1=CC=NC2=C1C=C(Cl)C=C2 4014445 [1,1,0,0,0,0|2,0,0]=4 35 B13R2.162 NC1=CC=NC2=CC=C(F)C=C12 4029606 [1,1,0,0,0,0|2,0,0]=4 36 B13R2.328 ClC1=CC(Br)=C2N=CC=CC2=C1 4108967 [1,1,0,0,0,0|2,0,0]=4 37 B13R2.328 O=C1C=C(Cl)C2=CC=CC=C2N1 4001693 [1,1,0,0,0,0|1,0,0]=3 38 B13R2.328 OC1=CC2=CC=CC=C2C(Br)=C1 4038940 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.5179 O=C1C=CC2=C(Cl)C=CC=C2N1 4037741 [1,1,0,0,0,0|1,0,0]=3 40 B13R2.45 CC1=C(C=O)NC2=CC=CC=C21 4003347 [0,1,0,0,1,0|2,0,0]=4 41 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2N1 4003000 [0,1,0,0,1,0|2,0,0]=4 42 B15R2.1754 NCC1=CC2=CC=C(F)C=C2NC1=O 4011514 [0,2,0,0,0,0|2,0,0]=4 43 B15R2.21243 CN1C(=O)C(C#N)=CC2=CC=CC=C21 4043451 [0,2,0,0,0,0|2,0,0]=4 44 B15R2.21243 CN1C(=O)C(C=O)=CC2=CC=CC=C21 4035619 [0,2,0,0,0,0|1,0,1]=4 45 B15R2.21243 CN1C(=O)C(CCl)=CC2=CC=CC=C21 4036351 [0,2,0,0,0,0|2,0,0]=4 46 B15R2.21243 CN1C(=O)C(CO)=CC2=CC=CC=C21 4042749 [0,2,0,0,0,0|1,0,0]=3 47 B13R2.435 NC(=O)C1=CC2=CC=CC=C2S1 4045182 [0,0,1,1,0,0|1,1,0]=4 48 B13R2.1613 C(=O)C1=CC=CC2=C1C=CC=N2 4300479 [0,0,1,1,0,0|2,0,0]=4 49 B11R1.35 O=C(O)C(=O)NC1=NC=CS1 4028501 [0,0,1,0,1,0|2,0,0]=4 50 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4034823 [0,0,1,0,1,0|1,0,0]=3 51 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4087936 [0,0,1,0,1,0|1,0,0]=3 52 B11R2.36 OC1=CC=C2NC=NC2=C1 5939992 [1,0,0,0,1,0|2,0,0]=4 53 B13R1.348 CC(=O)CC(=O)NC1=CN=CC=C1 6082222 [0,0,1,0,0,1|0,0,2]=4 54 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 4027608 [0,0,1,0,0,1|2,0,0]=4