0 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl BBL009921 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.369 ClC1=NC2=C(C=CC=C2)N=C1Cl BBL004257 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.369 NC1CC2=CC=CC=C2NC1=O BBL008284 [0,0,0,0,0,0|2,0,2]=4 3 B13R2.369 SC1=C(S)N=C2C=CC=CC2=N1 BBL023005 [0,0,0,0,0,0|2,2,0]=4 4 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 BBL011738 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BBL027621 [1,0,0,0,0,0|0,0,2]=3 6 B12R2.24 SC1=CC=C2C=CC=CC2=C1 BBL013183 [1,0,0,0,0,0|1,1,0]=3 7 B14R2.1128 C(=O)C1=CC2=CC=CC=C2OC1C BBL010399 [0,1,0,0,0,0|1,0,2]=4 8 B14R2.1128 NNC1=NC2=CC=CC=C2N=C1O BBL012163 [0,1,0,0,0,0|3,0,0]=4 9 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1I BBL032944 [0,1,0,0,0,0|2,0,1]=4 10 B14R2.1128 O=CC1=CC2=CC=CC=C2NC1=O BBL028761 [0,1,0,0,0,0|1,0,1]=3 11 B14R2.8188 CC1=NC2=CC=CC=C2C(=O)N1O BBL012017 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.8188 NN1C(=O)NC2=CC=CC=C2C1=O BBL012016 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.8239 NC1=CC2=C(C=C1)NC(=O)C(=O)N2 BBL030834 [0,1,0,0,0,0|2,0,1]=4 14 B14R2.8239 O=C1C=CC2=CC(O)=C(O)C=C2O1 BBL037229 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BBL002385 [0,0,1,0,0,0|2,0,1]=4 16 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BBL005466 [0,0,1,0,0,0|1,0,1]=3 17 B12R2.18 NC1C(=O)NC2=CC=CC=C21 BBL010068 [0,0,0,0,1,0|2,0,1]=4 18 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BBL012658 [1,0,1,0,0,0|1,0,0]=3 19 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 BBL011393 [1,0,1,0,0,0|1,0,0]=3 20 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBL011572 [1,0,1,0,0,0|0,0,2]=4 21 B11R1.91 O=C(O)CNC1=CC=CC=C1 BBL012003 [1,0,1,0,0,0|1,0,1]=4 22 B11R1.91 O=C(O)COC1=CC=CC=C1 BBL015276 [1,0,1,0,0,0|1,0,1]=4 23 B11R1.91 O=C(O)CSC1=CC=CC=C1 BBL000591 [1,0,1,0,0,0|1,0,1]=4 24 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBL036895 [1,0,1,0,0,0|0,0,0]=2 25 B11R1.86 NC(=O)CC1=CC=CC=C1O BBL003575 [1,0,1,0,0,0|1,0,1]=4 26 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 BBL011390 [2,0,0,0,0,0|1,0,0]=3 27 B11R2.20 C1=CC2=CC=NC=C2C=C1 BBL011362 [2,0,0,0,0,0|2,0,0]=4 28 B11R2.20 C1=CC=C2N=CC=NC2=C1 BBL012266 [2,0,0,0,0,0|2,0,0]=4 29 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 BBL000519 [0,1,1,0,0,0|1,0,1]=4 30 B13R1.148 O=C(O)C(=O)NC1=CC=CC(Cl)=C1 BBL000510 [0,1,1,0,0,0|1,0,1]=4 31 B13R1.485 C=CCOC1=C(\C=N\O)C=CC=C1 BBL010336 [0,1,1,0,0,0|2,0,0]=4 32 B13R1.2872 C\C(C=O)=C/C1=CC(Br)=CC=C1O BBL026145 [0,1,1,0,0,0|1,0,0]=3 33 B13R1.2872 C\C(C=O)=C/C1=CC(Cl)=CC=C1O BBL029705 [0,1,1,0,0,0|1,0,0]=3 34 B13R2.32 NC1=C2C=CC=CC2=CC=C1O BBL012066 [1,1,0,0,0,0|1,0,0]=3 35 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O BBL027354 [1,1,0,0,0,0|1,0,0]=3 36 B13R2.32 OC1=C(Cl)C2=CC=CC=C2C=C1 BBL034800 [1,1,0,0,0,0|1,0,0]=3 37 B13R2.57 COC1=CC2=CC=CN=C2C=C1 BBL027610 [1,1,0,0,0,0|2,0,0]=4 38 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 BBL040738 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 BBL011757 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 BBL018005 [1,1,0,0,0,0|1,0,0]=3 41 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 BBL027620 [1,1,0,0,0,0|0,0,0]=2 42 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 BBL010332 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.328 CC1=NC2=CC=CC=C2C(S)=C1 BBL029187 [1,1,0,0,0,0|2,0,0]=4 44 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 BBL027616 [1,1,0,0,0,0|0,0,0]=2 45 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 BBL009904 [1,1,0,0,0,0|2,0,0]=4 46 B13R2.3683 CC1=CC2=C(C=C1)N=C(C)C=C2 BBL034645 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.3683 CC1=NC2=C(C=C1)C=C(N)C=C2 BBL012761 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.3683 OC1=CC=C2C=C(O)C=CC2=C1 BBL025841 [1,1,0,0,0,0|1,0,0]=3 49 B13R2.5179 CC1=CC=C2C(C)=CC=CC2=C1 BBL019900 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 BBL104348 [0,1,0,0,1,0|1,1,0]=4 51 B13R2.135 N\N=C1/C(=O)NC2=CC=CC=C21 BBL023180 [0,1,0,0,1,0|2,0,0]=4 52 B13R2.3028 O=C1NC2=C(C=C(Cl)C=C2)C1=O BBL027809 [0,1,0,0,1,0|1,0,1]=4 53 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O BBL011747 [0,1,0,0,1,0|1,0,1]=4 54 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 BBL007926 [0,1,0,0,1,0|1,0,1]=4 55 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)N1O BBL009697 [0,1,0,0,1,0|1,0,0]=3 56 B13R2.4825 O=C1NC2=C(C=CC=C2Cl)C1=O BBL012538 [0,1,0,0,1,0|1,0,1]=4 57 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O BBL017011 [0,1,0,0,1,0|1,0,1]=4 58 B13R2.4856 O=C1NC2=C(C1=O)C(Br)=CC=C2 BBL016802 [0,1,0,0,1,0|1,0,1]=4 59 B15R2.984 CC(=O)C1=CC2=CC=CC=C2OC1=O BBL008903 [0,2,0,0,0,0|0,0,1]=3 60 B15R2.984 O=C(O)C1=C(O)C=C2C=CC=CC2=C1 BBL011509 [0,2,0,0,0,0|1,0,0]=3 61 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)OC1=O BBL005487 [0,2,0,0,0,0|0,0,0]=2 62 B15R2.1824 CC1=CC=C2N=C(O)C(C=O)=CC2=C1 BBL029816 [0,2,0,0,0,0|2,0,0]=4 63 B15R2.2039 CC1=C2N=C(O)C(C=O)=CC2=CC=C1 BBL029813 [0,2,0,0,0,0|2,0,0]=4 64 B15R2.21243 CN1C(=O)C(CCl)=CC2=CC=CC=C21 BBL030619 [0,2,0,0,0,0|2,0,0]=4 65 B15R2.21243 CN1C(=O)C(CO)=CC2=CC=CC=C21 BBL030621 [0,2,0,0,0,0|1,0,0]=3 66 B15R2.63893 CN1C(=O)C(O)=NC2=CC(N)=CC=C21 BBL022831 [0,2,0,0,0,0|2,0,0]=4 67 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 BBL018112 [0,0,1,1,0,0|0,0,0]=2 68 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 BBL040922 [0,0,1,1,0,0|2,0,0]=4 69 B13R2.435 O=C(O)C1OC2=CC=CC=C2O1 BBL030174 [0,0,1,1,0,0|1,0,1]=4 70 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 BBL016492 [0,0,1,0,1,0|1,0,1]=4 71 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BBL028097 [0,0,1,0,1,0|0,0,1]=3 72 B11R2.10 O=C1NC2=C(C=CC=C2)O1 BBL027537 [1,0,0,0,1,0|1,0,0]=3 73 B11R2.36 OC1=CC2=C(C=C1)NC=C2 BBL036782 [1,0,0,0,1,0|2,0,0]=4