0 B12R1.125 CC1=C(OCC(=O)O)C=CN=C1 F8887-1007 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.125 CC1=C(OCC(=O)O)N=CC=C1 F8887-1006 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.125 NC(=O)CNC1=CC=CC=C1N F1911-3752 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.125 NC1=CC=CC=C1NCC(=O)O F1911-3689 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.125 O=C(O)COC1=C(Br)C=CC=N1 F8885-7130 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.125 O=C(O)COC1=C(Br)C=NC=C1 F2197-7757 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.125 O=C(O)COC1=C(Cl)C=CC=N1 F8885-6434 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.125 O=C(O)COC1=C(Cl)C=NC=C1 F2197-7690 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.125 O=C(O)COC1=CC=CN=C1Br F2124-0984 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.91 CC(O)\C=C\C1=CC=NC=C1 F0451-1160 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.91 NC(=O)NNC1=CC=CC=C1 F0001-0078 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.91 O=C(O)COC1=CC=NC=C1 F8885-6418 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.90 COC1=CC=CN=C1OCC(=O)O F2197-7753 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.201 CN(CC(=O)O)C1=CC=CC=C1N F1911-3745 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.202 CC(NC1=CC=CC=C1N)C(=O)O F1911-3658 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.202 CC1=C(CC(F)C(=O)O)C=CC=C1 F2147-5727 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.202 C[C@@H](NC1=CC=CC=C1N)C(=O)O F1911-3659 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.202 O=C(O)C(F)CC1=C(Br)C=CC=C1 F2147-5673 [0,1,0,0,0,0|1,0,2]=4 18 B13R1.202 O=C(O)C(F)CC1=C(F)C=CC=C1 F2147-5646 [0,1,0,0,0,0|1,0,2]=4 19 B13R1.528 COC(=O)C#CC1=C(N)C=CC=C1 F2167-6830 [0,1,0,0,0,0|1,0,2]=4 20 B13R1.528 COC(=O)CNC1=CC=CC=C1N F1911-3746 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.893 O=[N+]([O-])\C=C\C1=C(F)C=CC(F)=C1 F1913-7781 [0,1,0,0,0,0|2,0,1]=4 22 B13R2.33 O=C1COC2=CC=CC=C2OC1 F2197-0318 [0,0,0,1,0,0|2,0,1]=4 23 B13R2.216 O=C1CC(C2=C(O)C=CC=C2)C1 F1913-0484 [0,0,0,1,0,0|1,0,2]=4 24 B13R2.435 CC(=O)C1=CC2=C(N=CC=C2)N1 F1913-7027 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.435 O=C(O)C1=NN2C=CC=CC2=N1 F2197-4649 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.5179 CC1=NC2=NC=CC(O)=C2C=C1 F2124-0997 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.5179 O=C1NCC2=C(C=CC=C2O)O1 F2163-0214 [0,0,0,1,0,0|1,0,1]=3 28 B11R1.86 O=C(O)CC1=CC=CNC1=O F1905-8727 [0,0,0,0,1,0|1,0,2]=4 29 B13R1.158 NC1=CC=CC=C1NCCC(=O)O F1911-3657 [0,0,0,0,0,1|1,0,2]=4 30 B12R1.43 O=C(O)C(=O)NC1=CC=NC=C1 F2189-1030 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.43 O=C(O)C(F)CC1=CC=CC=C1 F2147-5620 [1,1,0,0,0,0|0,0,2]=4 32 B12R1.75 C#CC1=C(CC(=O)O)C=CC=C1 F2167-5100 [0,1,0,0,1,0|1,0,1]=4 33 B12R1.453 O=C(O)C1=CC(CO)=CC=C1Cl F1913-1511 [0,0,1,1,0,0|1,0,1]=4 34 B12R2.24 O=C1C=CC2=C(N=CC=C2)N1 F2147-3459 [1,0,0,1,0,0|2,0,0]=4 35 B12R2.32 C#CC1=CC2=C(C=CC=C2)O1 F2147-2871 [1,0,0,1,0,0|1,0,1]=4 36 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 F8889-5032 [0,0,0,1,1,0|2,0,0]=4 37 B14R2.781 O=C(O)C1=CC2=NC=CC=C2N=C1 F1957-0070 [0,0,0,1,0,1|2,0,0]=4 38 B14R2.8032 CC1=CC=CC2=C(C(=O)O)C=NN12 F2199-0093 [0,0,0,1,0,1|2,0,0]=4 39 B14R2.8032 CN1C=CC=C2C(C(=O)O)=CN=C21 F2197-0368 [0,0,0,1,0,1|2,0,0]=4 40 B14R2.8032 O=C(O)C1=NC=C2C(F)=CC=CN21 F2185-0624 [0,0,0,1,0,1|2,0,0]=4 41 B14R2.7969 O=C(O)C1=CC2=C(O)C=CC=C2N1 F2158-0635 [0,1,0,1,0,0|0,0,0]=2 42 B14R2.4529 O=C(O)C1CC2=C(C=CC(F)=C2)O1 F8881-7002 [0,1,0,1,0,0|0,0,2]=4 43 B14R2.8751 O=C1C=CC2=C(O)C=CC(O)=C2N1 F2147-8756 [0,1,0,1,0,0|1,0,0]=3 44 B10R1.61 O=C(O)C1=C(O)C=NC=N1 F2147-2677 [0,0,0,0,2,0|2,0,0]=4