0 B13R2.10 BrC1=NC(C2=CC=CC=C2)=CS1 219001 [0,0,0,0,0,0|1,1,2]=4 1 B13R2.10 CC1=CNC(C2=CC=CC=C2)=N1 463411 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.10 CC1=NC(C2=CC=CC=C2)=CS1 218288 [0,0,0,0,0,0|1,1,2]=4 3 B13R2.10 CC1=NC(C2=CC=CN=C2)=NO1 097978 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.10 CC1=NC(C2=CC=NC=C2)=NO1 097979 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.10 CC1=NC(C2=NC=CC=C2)=NO1 219565 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.10 ClC1=NC(C2=CC=CC=C2)=CS1 024114 [0,0,0,0,0,0|1,1,2]=4 7 B13R2.10 ClC1=NC(C2=CC=CC=C2)=NS1 047431 [0,0,0,0,0,0|2,1,1]=4 8 B13R2.10 NC1=CC(C2=CC=CC=C2)=NN1 019532 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 001737 [0,0,0,0,0,0|0,1,2]=3 10 B13R2.10 NC1=NC(C2=CC=CC=N2)=CS1 017418 [0,0,0,0,0,0|1,1,2]=4 11 B13R2.10 NC1=NC(C2=CC=CN=C2)=CS1 017428 [0,0,0,0,0,0|1,1,2]=4 12 B13R2.10 NC1=NC(C2=CC=NC=C2)=CS1 017429 [0,0,0,0,0,0|1,1,2]=4 13 B13R2.10 NC1=NN=C(C2=CC=CC=C2)O1 042379 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.10 NC1=NN=C(C2=CC=CC=C2)S1 012187 [0,0,0,0,0,0|3,0,1]=4 15 B13R2.10 NC1=NN=C(C2=CC=CC=C2)S1 094699 [0,0,0,0,0,0|3,0,1]=4 16 B13R2.10 NC1=NN=C(C2=CC=CC=C2)S1 101573 [0,0,0,0,0,0|3,0,1]=4 17 B13R2.10 O=C1CC(C2=CC=CC=C2)=NO1 358056 [0,0,0,0,0,0|3,0,1]=4 18 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 024793 [0,0,0,0,0,0|1,0,1]=2 19 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 076021 [0,0,0,0,0,0|1,0,1]=2 20 B13R2.10 OC1=CSC(C2=CC=CC=C2)=N1 103854 [0,0,0,0,0,0|3,0,1]=4 21 B13R2.10 OC1=NC(C2=CC=CC=C2)=CS1 024116 [0,0,0,0,0,0|1,1,2]=4 22 B12R2.2 C1=CC=C(C2=CNC=N2)C=C1 208941 [1,0,0,0,0,0|1,0,2]=4 23 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 208942 [1,0,0,0,0,0|2,0,1]=4 24 B12R2.2 C1=CC=C(C2=NOC=C2)C=C1 033649 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.2 C1=CC=C(C2CCCN2)C=C1 021298 [1,0,0,0,0,0|1,0,2]=4 26 B12R2.2 C1=CC=C(N2CC=CC2)C=C1 231375 [1,0,0,0,0,0|3,0,0]=4 27 B14R2.20 CC1=CC=C(C2=CSC(N)=N2)C=C1 015334 [0,1,0,0,0,0|0,1,2]=4 28 B14R2.20 CC1=CC=C(C2=NOC(C)=N2)C=C1 209642 [0,1,0,0,0,0|2,0,1]=4 29 B14R2.20 CC1=NC(C2=CC=C(Br)C=C2)=NO1 211683 [0,1,0,0,0,0|2,0,1]=4 30 B14R2.20 NC1=CC(C2=CC=C(Cl)C=C2)=NO1 306260 [0,1,0,0,0,0|2,0,1]=4 31 B14R2.20 NC1=NC(C2=CC=C(Br)C=C2)=CS1 011076 [0,1,0,0,0,0|0,1,2]=4 32 B14R2.20 NC1=NC(C2=CC=C(Cl)C=C2)=CS1 210746 [0,1,0,0,0,0|0,1,2]=4 33 B14R2.20 NC1=NC(C2=CC=C(F)C=C2)=CS1 010123 [0,1,0,0,0,0|0,1,2]=4 34 B14R2.20 NC1=NC(C2=CC=C(I)C=C2)=CS1 014102 [0,1,0,0,0,0|0,1,2]=4 35 B14R2.20 NC1=NC(C2=CC=C(O)C=C2)=CS1 015335 [0,1,0,0,0,0|0,1,2]=4 36 B14R2.22 CC1=CC=CC(C2=CSC(N)=N2)=C1 014085 [0,1,0,0,0,0|0,1,2]=4 37 B14R2.22 NC1=NC(C2=CC(Cl)=CC=C2)=CS1 014087 [0,1,0,0,0,0|0,1,2]=4 38 B14R2.22 NC1=NC(C2=CC(O)=CC=C2)=CS1 101874 [0,1,0,0,0,0|0,1,2]=4 39 B14R2.256 CC1=C(C2=CSC(N)=N2)C=CC=C1 029805 [0,1,0,0,0,0|0,1,2]=4 40 B14R2.256 NC1=NC(C2=CC=CC=C2Cl)=CS1 015331 [0,1,0,0,0,0|0,1,2]=4 41 B14R2.598 CC1=C(C2=CC=CC=C2)N=C(N)S1 014136 [0,1,0,0,0,0|0,1,2]=4 42 B14R2.598 NC1=NN(C2=CC=CC=C2)C(=O)C1 064913 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.27 CNC(=O)CCC1=CC=CC=C1 105160 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.27 CNC(=S)NCC1=CC=CC=C1 018213 [0,0,1,0,0,0|2,0,1]=4 45 B12R1.27 COC(=O)CCC1=CC=CC=C1 078491 [0,0,1,0,0,0|2,0,0]=3 46 B12R1.27 COC(=O)COC1=CC=CC=C1 001024 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.27 COC(=O)CSC1=CC=CC=C1 003766 [0,0,1,0,0,0|3,0,0]=4 48 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 209319 [0,0,1,0,0,0|2,0,1]=4 49 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 320170 [0,0,1,0,0,0|2,0,1]=4 50 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 358190 [0,0,1,0,0,0|2,0,0]=3 51 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 034469 [0,0,1,0,0,0|3,0,0]=4 52 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 040244 [0,0,1,0,0,0|3,0,0]=4 53 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 103042 [0,0,1,0,0,0|3,0,0]=4 54 B12R1.252 CC(=O)NCCC1=CC=CC=C1 240701 [0,0,1,0,0,0|3,0,0]=4 55 B12R1.252 NC(=O)CCCC1=CC=CC=C1 342267 [0,0,1,0,0,0|2,0,0]=3 56 B12R1.252 NC(=O)NCCC1=CC=CC=C1 180296 [0,0,1,0,0,0|2,0,0]=3 57 B12R1.252 NC(=S)NCCC1=CC=CC=C1 010668 [0,0,1,0,0,0|2,0,0]=3 58 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 432089 [0,0,1,0,0,0|3,0,0]=4 59 B12R1.252 O=C(O)CCCC1=CC=CC=C1 214820 [0,0,1,0,0,0|3,0,0]=4 60 B14R2.19 NC1=NC(NC2=CC=CC=C2)=NN1 374489 [0,0,0,0,0,1|2,0,1]=4 61 B14R2.19 NC1=NSC(NC2=CC=CC=C2)=N1 009732 [0,0,0,0,0,1|2,0,1]=4 62 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 034309 [0,0,0,0,0,1|1,0,1]=3 63 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 040327 [0,0,0,0,0,1|1,0,1]=3 64 B14R2.21 NC1=NC(C2=CC=CC=C2)=CC=N1 033278 [0,0,0,0,0,1|1,0,2]=4 65 B14R2.68 NC1=NC=C(C2=CC=CC=C2)C=C1 013115 [0,0,0,0,0,1|1,0,2]=4 66 B14R2.68 NC1=NN=C(C2=CC=CC=C2)C=C1 324558 [0,0,0,0,0,1|1,0,2]=4 67 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 242612 [0,0,0,0,0,1|3,0,0]=4 68 B11R1.16 CC(CC=O)C1=CC=CC=C1 520893 [1,0,1,0,0,0|1,0,1]=4 69 B11R1.16 CC(N=C=S)C1=CC=CC=C1 009523 [1,0,1,0,0,0|0,1,1]=4 70 B11R1.16 C[C@@H](N=C=O)C1=CC=CC=C1 013633 [1,0,1,0,0,0|0,0,2]=4 71 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 009522 [1,0,1,0,0,0|0,1,1]=4 72 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 013634 [1,0,1,0,0,0|0,0,2]=4 73 B11R1.16 C[C@H](N=C=S)C1=CC=CC=C1 009524 [1,0,1,0,0,0|0,1,1]=4 74 B11R1.91 CC(=N)SCC1=CC=CC=C1 471468 [1,0,1,0,0,0|1,0,1]=4 75 B11R1.91 CC(=O)CCC1=CC=CC=C1 454566 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.91 N=C(N)SCC1=CC=CC=C1 099378 [1,0,1,0,0,0|2,0,0]=4 77 B11R1.91 NC(=O)CCC1=CC=CC=C1 353451 [1,0,1,0,0,0|1,0,1]=4 78 B11R1.91 NC(=O)NCC1=CC=CC=C1 243198 [1,0,1,0,0,0|0,0,2]=4 79 B11R1.91 NC(=O)OCC1=CC=CC=C1 209067 [1,0,1,0,0,0|1,0,1]=4 80 B11R1.91 NC(=S)NCC1=CC=CC=C1 018234 [1,0,1,0,0,0|0,1,1]=4 81 B11R1.91 NC(N)=NCC1=CC=CC=C1 047437 [1,0,1,0,0,0|1,0,0]=3 82 B11R1.91 O=C(O)CCC1=CC=CC=C1 216287 [1,0,1,0,0,0|2,0,0]=4 83 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 078412 [0,1,1,0,0,0|2,0,0]=4 84 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 321399 [0,1,1,0,0,0|2,0,0]=4 85 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 209835 [0,1,1,0,0,0|2,0,0]=4 86 B13R1.15 COC(=O)CCC1=CC(Cl)=CC=C1 390136 [0,1,1,0,0,0|2,0,0]=4 87 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 223207 [0,1,1,0,0,0|2,0,0]=4 88 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 003826 [0,1,1,0,0,0|2,0,0]=4 89 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 047694 [0,1,1,0,0,0|2,0,0]=4 90 B13R1.528 COC(=O)CCC1=C(Cl)C=CC=C1 049753 [0,1,1,0,0,0|2,0,0]=4 91 B13R1.528 COC(=O)CCC1=CC=CC=C1Br 225494 [0,1,1,0,0,0|2,0,0]=4 92 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O 431420 [0,1,1,0,0,0|2,0,0]=4 93 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 018941 [0,1,1,0,0,0|2,0,0]=4 94 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 029150 [0,0,1,1,0,0|2,0,0]=4 95 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 519151 [0,0,1,1,0,0|2,0,0]=4 96 B11R1.40 CNC(=O)CC1=CC=CC=C1 449006 [0,0,1,0,1,0|2,0,0]=4 97 B11R1.40 COC(=O)CC1=NC=CC=C1 092468 [0,0,1,0,1,0|2,0,0]=4 98 B11R1.40 N\C(CC1=CC=CC=C1)=N/O 033305 [0,0,1,0,1,0|2,0,0]=4 99 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 093725 [0,0,1,0,1,0|1,0,0]=3 100 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 034471 [0,0,1,0,1,0|1,0,0]=3 101 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 018765 [0,0,1,0,1,0|1,0,1]=4 102 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 068259 [0,0,1,0,1,0|1,0,1]=4 103 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 093739 [0,0,1,0,1,0|2,0,0]=4 104 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 M03223 [0,0,1,0,1,0|2,0,0]=4 105 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 M03226 [0,0,1,0,1,0|2,0,0]=4 106 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 036983 [0,0,1,0,1,0|2,0,0]=4 107 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 093723 [0,0,1,0,1,0|2,0,0]=4 108 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 046847 [0,0,1,0,1,0|2,0,0]=4 109 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 093732 [0,0,1,0,1,0|2,0,0]=4 110 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 390375 [0,0,0,0,2,0|0,0,1]=3 111 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 180442 [0,0,1,0,0,1|2,0,0]=4 112 B13R1.337 NC(=S)NCCCC1=CC=CC=C1 018969 [0,0,1,0,0,1|2,0,0]=4