0 B13R2.369 ClC1=C(Br)C=C2C=NC=CC2=C1 CS-0038424 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 CS-W021848 [1,0,0,0,0,0|2,0,1]=4 2 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 CS-W007403 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 CS-W007480 [1,0,0,0,0,0|1,0,1]=3 4 B12R2.24 ClC1=CC=C2C=CN=CC2=C1 CS-W007219 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.24 FC1=CC=C2C=NC=CC2=C1 CS-W019741 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 FC1=NC2=CC=CC=C2C=C1 CS-D1247 [1,0,0,0,0,0|1,0,1]=3 7 B12R2.24 IC1=CC2=NC=CC=C2N=C1 CS-0044904 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.24 IC1=NC2=C(C=CC=C2)C=C1 CS-0037774 [1,0,0,0,0,0|1,0,1]=3 9 B12R2.24 NC1=CC2=CC=NC=C2N=C1 CS-B1555 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.24 NC1=CC=C2C=CN=CC2=C1 CS-W018610 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CS-W019654 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CS-W005598 [1,0,0,0,0,0|0,0,0]=1 13 B12R2.24 O=C1COC2=NC=CC=C2N1 CS-0030376 [1,0,0,0,0,0|2,0,1]=4 14 B12R2.24 OC1=CC2=C(C=C1)N=CC=N2 CS-W006283 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 CS-W007889 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.24 OC1=CC=C2N=CC=CC2=C1 CS-W007818 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.24 OC1CNC2=C(C=CC=C2)C1 CS-B0459 [1,0,0,0,0,0|0,0,3]=4 18 B14R2.8188 CC1=NC2=CC=CC=C2C(O)=C1Br CS-M3198 [0,1,0,0,0,0|2,0,1]=4 19 B14R2.8188 CC1=NC2=CC=CC=C2C(O)=C1I CS-M3204 [0,1,0,0,0,0|2,0,1]=4 20 B14R2.8239 CC1=CC2=CC=C(F)C=C2OC1=O CS-0065150 [0,1,0,0,0,0|2,0,0]=3 21 B14R2.8239 CC1OC2=CC=C(Br)C=C2NC1=O CS-0101389 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.28472 CC1=NC2=C(C=CC=C2F)C=C1N CS-0037392 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1F CS-0068200 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.43 C\C(=C/C1=CC=CC=N1)C(=O)O CS-0090464 [0,0,1,0,0,0|3,0,0]=4 25 B12R2.18 BrC1=C(Br)C2=CC=CC=C2S1 CS-W005898 [0,0,0,0,1,0|3,0,0]=4 26 B12R2.18 CC1=C(Br)C2=CC=CN=C2N1 CS-B0573 [0,0,0,0,1,0|3,0,0]=4 27 B12R2.18 CN1C(=O)NC2=C1C=NC=C2 CS-0086207 [0,0,0,0,1,0|3,0,0]=4 28 B12R2.18 CN1C(=O)NC2=NC=CC=C21 CS-0086354 [0,0,0,0,1,0|3,0,0]=4 29 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CS-W018811 [0,0,0,0,1,0|2,0,1]=4 30 B14R2.741 CN1N=CC2=CC=CC=C2CC1=O CS-M2516 [0,0,0,0,0,1|3,0,0]=4 31 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 CS-W021781 [1,0,1,0,0,0|2,0,0]=4 32 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 CS-W021780 [1,0,1,0,0,0|2,0,0]=4 33 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)C(=O)O CS-0112389 [0,1,1,0,0,0|2,0,0]=4 34 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 CS-W023164 [1,1,0,0,0,0|0,0,0]=2 35 B13R2.32 ClC1=C(Br)C=NC2=CC=CC=C21 CS-0096780 [1,1,0,0,0,0|1,0,1]=4 36 B13R2.32 NC1=C(N)C2=CC=CC=C2N=C1 CS-M2025 [1,1,0,0,0,0|1,0,1]=4 37 B13R2.32 NC1=C2C=CC=CC2=CC=C1Br CS-0102191 [1,1,0,0,0,0|2,0,0]=4 38 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 CS-W005491 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 CS-W014727 [1,1,0,0,0,0|1,0,1]=4 40 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 CS-0040289 [1,1,0,0,0,0|1,0,1]=4 41 B13R2.57 NCC1=CC=C2C=CC=CC2=C1 CS-W018759 [1,1,0,0,0,0|2,0,0]=4 42 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CS-0006090 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 CS-W008168 [1,1,0,0,0,0|0,0,1]=3 44 B13R2.57 OCC1=CC2=C(C=C1)C=NC=C2 CS-0021456 [1,1,0,0,0,0|2,0,0]=4 45 B13R2.57 OCC1=NC2=CC=CC=C2C=C1 CS-0044957 [1,1,0,0,0,0|0,0,2]=4 46 B13R2.155 CC1=CC2=CC(Br)=CC=C2N=C1 CS-0102798 [1,1,0,0,0,0|1,0,1]=4 47 B13R2.155 NC1=CC2=C(C=CC(Cl)=C2)N=C1 CS-0028338 [1,1,0,0,0,0|1,0,1]=4 48 B13R2.155 NC1=CC=C2N=CC(Br)=CC2=C1 CS-W021891 [1,1,0,0,0,0|1,0,1]=4 49 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 CS-W008865 [1,1,0,0,0,0|1,0,0]=3 50 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=C1 CS-B1093 [1,1,0,0,0,0|1,0,1]=4 51 B13R2.162 CC1=CC2=C(Br)C=CC=C2N=C1 CS-W007179 [1,1,0,0,0,0|1,0,1]=4 52 B13R2.162 ClC1=C2C=C(Br)C=NC2=CC=C1 CS-0067982 [1,1,0,0,0,0|1,0,1]=4 53 B13R2.162 N=C1C=CC2=C(N1)C(O)=CC=C2 CS-W016164 [1,1,0,0,0,0|1,0,0]=3 54 B13R2.162 NC1=C2C=C(Br)C=CC2=CC=C1 CS-0060605 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.162 OC1=C2C=C(Cl)C=CC2=CC=C1 CS-W023115 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.328 NC1=NC(=O)C2=C(C=CC=C2)N1 CS-0036049 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.328 NC1=NC2=CC=CC=C2C(O)=C1 CS-W016163 [1,1,0,0,0,0|1,0,1]=4 58 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)N1 CS-0097773 [1,1,0,0,0,0|0,0,0]=2 59 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 CS-W020079 [1,1,0,0,0,0|0,0,0]=2 60 B13R2.328 OC1=CC(O)=C2C=CC=CC2=C1 CS-0010073 [1,1,0,0,0,0|1,0,0]=3 61 B13R2.3683 CC1=NC2=CC=C(I)C=C2C=C1 CS-0036387 [1,1,0,0,0,0|1,0,1]=4 62 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 CS-B1127 [1,1,0,0,0,0|0,0,2]=4 63 B13R2.3683 NC1=CC=C2C=C(Br)C=NC2=C1 CS-0046178 [1,1,0,0,0,0|1,0,1]=4 64 B13R2.3683 O=C1COC2=CC(Cl)=CC=C2N1 CS-0043081 [1,1,0,0,0,0|1,0,1]=4 65 B13R2.3683 OC1=CC=C2C=C(F)C=CC2=C1 CS-0102645 [1,1,0,0,0,0|1,0,0]=3 66 B13R2.3683 OC1=CC=C2N=C(Cl)C=CC2=C1 CS-W005318 [1,1,0,0,0,0|1,0,1]=4 67 B13R2.5179 CC1=CC2=CC=CC(N)=C2N=C1 CS-0040593 [1,1,0,0,0,0|1,0,1]=4 68 B13R2.5179 CC1=CC=CC2=C1CCC(=O)N2 CS-0059164 [1,1,0,0,0,0|0,0,2]=4 69 B13R2.5179 CC1=NC2=CC=CC(Br)=C2C=C1 CS-0103513 [1,1,0,0,0,0|1,0,1]=4 70 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 CS-W006095 [1,1,0,0,0,0|1,0,1]=4 71 B13R2.5179 O=C1C=CNC2=C1C=CC(O)=C2 CS-0060659 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.5179 OC1=CC2=C(C=C1)C(Cl)=NC=C2 CS-0042596 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.5179 OC1=CC=CC2=CC(Br)=CC=C12 CS-0060671 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.45 CC1=C(C=O)NC2=C1C=CC=C2 CS-0041558 [0,1,0,0,1,0|1,0,0]=3 75 B13R2.45 OCC1=C(Cl)C2=C(C=CC=C2)S1 CS-0037832 [0,1,0,0,1,0|2,0,0]=4 76 B13R2.3028 CC1C(=O)NC2=CC=C(Br)C=C21 CS-0036961 [0,1,0,0,1,0|1,0,1]=4 77 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 CS-0045288 [0,1,0,0,1,0|0,0,1]=3 78 B13R2.4825 CC1C(=O)NC2=C1C=CC=C2Br CS-0055872 [0,1,0,0,1,0|1,0,1]=4 79 B13R2.4856 O=C1NC2=C(C1=O)C(Cl)=CC=C2 CS-W002403 [0,1,0,0,1,0|0,0,1]=3 80 B13R2.5190 CC1C(=O)NC2=CC(Br)=CC=C21 CS-0037724 [0,1,0,0,1,0|1,0,1]=4 81 B13R2.5190 O=C1NC2=C(C=CC(I)=C2)C1=O CS-0037862 [0,1,0,0,1,0|0,0,1]=3 82 B15R2.984 CC(=O)C1=CC2=CC=CC=C2NC1=O CS-0047054 [0,2,0,0,0,0|0,0,1]=3 83 B15R2.1754 CC1=CC2=C(C=C1)C=C(C=O)C(=O)N2 CS-0038794 [0,2,0,0,0,0|0,0,1]=3 84 B15R2.1754 O=CC1=CC2=CC=C(O)C=C2OC1=O CS-0065177 [0,2,0,0,0,0|1,0,1]=4 85 B15R2.9032 CC1=[N+]([O-])C2=C(C=CC=C2)N(O)C1=O CS-W018384 [0,2,0,0,0,0|2,0,0]=4 86 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 CS-W021190 [0,0,1,1,0,0|2,0,0]=4 87 B13R2.54 O=CC1=CC2=C(Br)C=CC=C2S1 CS-0097499 [0,0,1,1,0,0|1,1,0]=4 88 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CS-W021161 [0,0,1,0,1,0|1,0,1]=4 89 B11R2.1 BrC1=CNC2=CC=NC=C12 CS-W006499 [1,0,0,0,1,0|2,0,0]=4 90 B11R2.1 BrC1=NNC2=CC=CC=C21 CS-W007434 [1,0,0,0,1,0|2,0,0]=4 91 B11R2.1 IC1=CNC2=CC=CN=C12 CS-W021942 [1,0,0,0,1,0|2,0,0]=4 92 B11R2.10 BrC1=CC2=C(C=NC=C2)N1 CS-WAA0095 [1,0,0,0,1,0|2,0,0]=4 93 B11R2.10 BrC1=CC2=CC=CN=C2N1 CS-B0559 [1,0,0,0,1,0|2,0,0]=4 94 B11R2.10 O=C1NC2=C(C=NC=C2)N1 CS-W021327 [1,0,0,0,1,0|2,0,0]=4 95 B11R2.10 OC1=NC2=CC=CC=C2N1 CS-W008003 [1,0,0,0,1,0|1,0,0]=3 96 B11R2.36 N=C1C=CC2=C(C=CN2)N1 CS-0043784 [1,0,0,0,1,0|2,0,0]=4