0 B11R1.40 COC(=O)CC1=CC=CC=C1 CS-W018528 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 NCC(O)CC1=CC=CC=C1 CS-D0131 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CS-D1142 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 BrCCOC1=CC=CC=C1 CS-W015572 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.17 CCOCC1=CC=CC=C1 CS-W018329 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.17 ClCCSC1=CC=CC=C1 CS-M0048 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.17 OCCCC1=NC=CC=C1 CS-0079867 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CS-W016087 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS-W023196 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CS-0011289 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 CS-W017890 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.34 [C@H](O)(C(=O)OC)C1=CC=CC=C1 CS-W017868 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W007567 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 CS-M1488 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 CS-W021545 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 CS-0039978 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 CS-W019829 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.118 CCN(CC)CC1=CC=CC=C1 CS-0015347 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS-W019150 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.371 COC(=O)CC1=CC=CC=C1C CS-0088539 [0,1,0,0,0,0|2,0,1]=4 22 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 CS-W010999 [0,0,0,1,0,0|2,0,1]=4 23 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 CS-0038976 [0,0,0,1,0,0|2,0,1]=4 24 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O CS-0034926 [0,0,0,1,0,0|3,0,0]=4 25 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O CS-W002530 [0,0,0,1,0,0|3,0,0]=4 26 B12R2.24 CC1CCC2=CC=CC=C2N1 CS-W019554 [0,0,0,1,0,0|2,0,0]=3 27 B12R2.24 NC1CCC2=CC=CC=C2C1 CS-W006188 [0,0,0,1,0,0|2,0,0]=3 28 B12R2.24 O=C1CC2=CC=CC=C2CO1 CS-W016337 [0,0,0,1,0,0|2,0,1]=4 29 B12R2.32 CNC1CC2=C(C=CC=C2)C1 CS-0062934 [0,0,0,1,0,0|0,0,0]=1 30 B12R2.32 OCC1CC2=C(C=CC=C2)C1 CS-B1058 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CS-W013344 [0,0,0,0,1,0|2,0,0]=3 32 B10R1.15 COS(=O)C1=CC=CC=C1 CS-M2210 [0,0,0,0,1,0|3,0,0]=4 33 B10R1.15 NC(CO)C1=CC=CC=C1 CS-W005163 [0,0,0,0,1,0|3,0,0]=4 34 B10R1.15 NNC(=O)C1=CC=CC=C1 CS-W017759 [0,0,0,0,1,0|2,0,1]=4 35 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CS-W016497 [0,0,0,0,1,0|3,0,0]=4 36 B12R1.27 NNC(=O)CCC1=CC=CC=C1 CS-0046856 [0,0,0,0,0,1|2,0,1]=4 37 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS-W016057 [0,0,0,0,0,1|2,0,1]=4 38 B9R1.8 CC#CC1=CC=CC=C1 CS-W013608 [2,0,0,0,0,0|0,0,2]=4 39 B9R1.8 NCCC1=CC=CC=N1 CS-W005000 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.8 NCCC1=CN=CC=C1 CS-W008641 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.8 NNCC1=CC=CC=C1 CS-W008735 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.8 NOCC1=CC=CC=C1 CS-W008676 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.8 OCCC1=CC=NC=C1 CS-W016575 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.8 ONCC1=CC=CC=C1 CS-W005571 [2,0,0,0,0,0|1,0,0]=3 45 B11R1.1 CCCCC1=CC=C(Br)C=C1 CS-W014978 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.1 NCCCC1=CC=C(Cl)C=C1 CS-W021762 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.1 OCCCC1=CC=C(Br)C=C1 CS-B0314 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 CS-W019696 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.24 CC1=CC=CC(CCCO)=C1 CS-M2099 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.24 CCNCC1=CC=CC(Cl)=C1 CS-0045368 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.28 BrCCCOC1=CC=CC=C1 CS-0030579 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.28 BrCCOCC1=CC=CC=C1 CS-W007388 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.28 CCOCCC1=CC=CC=N1 CS-W018112 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.28 NCCOCC1=CC=CC=C1 CS-W018620 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.28 OCCCCC1=CC=CC=C1 CS-W018137 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.20 CC(C)OC1=CC=C(N)C=C1 CS-0051136 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.20 CC(C)OC1=CC=C(O)C=C1 CS-0000201 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CS-0040300 [1,1,0,0,0,0|0,0,0]=2 59 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CS-0040396 [1,1,0,0,0,0|0,0,0]=2 60 B11R1.86 CC(=O)CC1=CC=CC=C1Cl CS-0043797 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.86 CC(C)OC1=CC=CC=C1Br CS-W014904 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.86 CC(C)SC1=CC=CC=C1N CS-0010898 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS-B0132 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.157 CC1=CC=CC(OC(C)C)=C1 CS-0046837 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS-D1532 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 CS-0067905 [0,1,0,0,1,0|2,0,0]=4 67 B11R1.7 CC(C)(CN)C1=CC=CC=C1 CS-D0358 [0,1,0,0,1,0|2,0,0]=4 68 B11R1.12 OCC(CO)C1=CC=CC=C1 CS-W004830 [0,1,0,0,1,0|2,0,0]=4 69 B11R1.222 CNC(=O)C1=CC=CC=C1O CS-B1147 [0,1,0,0,1,0|1,0,1]=4 70 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O CS-M0172 [0,1,0,0,0,1|2,0,0]=4 71 B13R1.152 CN(C)C(=O)[C@@H](N)C1=CC=CC=C1 CS-B0866 [0,2,0,0,0,0|1,0,1]=4 72 B13R1.249 CNS(=O)(=O)CC1=CC=C(N)C=C1 CS-W022080 [0,2,0,0,0,0|2,0,0]=4 73 B11R2.1 CN1C=CC2=C1C=CC=C2 CS-W008981 [1,0,0,1,0,0|0,0,2]=4 74 B11R2.1 NC1CCC2=C1C=CC=C2 CS-D1386 [1,0,0,1,0,0|2,0,0]=4 75 B11R2.1 OC1CCC2=C1C=CC=C2 CS-0017842 [1,0,0,1,0,0|2,0,0]=4 76 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 CS-W013378 [1,0,0,1,0,0|2,0,0]=4 77 B11R2.1 [C@@H]1(N)CCC2=CC=CC=C21 CS-W005779 [1,0,0,1,0,0|2,0,0]=4 78 B11R2.20 C1=CC2=C(CCNC2)N=C1 CS-W005893 [1,0,0,1,0,0|1,0,0]=3 79 B11R2.20 C1=CC2=C(CNCC2)N=C1 CS-D0063 [1,0,0,1,0,0|1,0,0]=3 80 B11R2.10 CC1=NC2=CC=CC=C2N1 CS-W013410 [1,0,0,1,0,0|1,0,1]=4 81 B11R2.10 OC1CC2=CC=CC=C2C1 CS-W004877 [1,0,0,1,0,0|1,0,0]=3 82 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 CS-0030582 [0,0,0,1,0,1|2,0,0]=4 83 B13R2.57 [C@@H]1(CO)CC2=CC=CC=C2CN1 CS-W014288 [0,0,0,1,0,1|2,0,0]=4 84 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 CS-0031418 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.8137 O=C(C1=CC=CC=C1)C2CCC2 CS-0063896 [0,1,0,1,0,0|1,0,1]=4 86 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 CS-W021743 [0,1,0,1,0,0|2,0,0]=4 87 B13R2.3028 CC1=NC2=CC=C(Br)C=C2N1C CS-0096083 [0,1,0,1,0,0|1,0,1]=4 88 B13R2.4825 CC1=NC2=C(Br)C=CC=C2N1C CS-0097508 [0,1,0,1,0,0|1,0,1]=4 89 B9R1.6 CC(C)C1=CC=CC=N1 CS-W019396 [1,0,0,0,1,0|1,0,0]=3 90 B9R1.6 CC(N)C1=CC=CC=C1 CS-W013564 [1,0,0,0,1,0|0,0,0]=2 91 B9R1.6 CC(N)C1=NC=CC=C1 CS-M2153 [1,0,0,0,1,0|1,0,0]=3 92 B9R1.6 CC(N)C1=NC=CC=C1 CS-W023139 [1,0,0,0,1,0|1,0,0]=3 93 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CS-W008645 [1,0,0,0,1,0|0,0,0]=2 94 B9R1.6 C[C@@H](N)C1=CC=NC=C1 CS-0098148 [1,0,0,0,1,0|1,0,0]=3 95 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CS-M2101 [1,0,0,0,1,0|1,0,0]=3 96 B9R1.6 C[C@@H](O)C1=NC=CC=C1 CS-0040476 [1,0,0,0,1,0|2,0,0]=4 97 B9R1.6 C[C@H](N)C1=CC=CN=C1 CS-0044516 [1,0,0,0,1,0|1,0,0]=3