0 B12R1.27 NNC(=O)CCC1=CC=CC=C1 CS-0046856 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS-W016057 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS-W010391 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.27 O=C(CO)OCC1=CC=CC=C1 CS-W007485 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [1,0,0,0,0,0|0,0,0]=1 5 B11R1.91 N=C(O)OCC1=CC=CC=C1 CS-W004984 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.91 O=C(O)CSC1=CC=NC=C1 CS-W016033 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-W018179 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 CS-0033829 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.11 COC(=O)CC(=O)C1=CC=CN=C1 CS-0103379 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 CS-W023135 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CS-0031396 [0,1,0,0,0,0|0,0,2]=3 13 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 CS-W017209 [0,1,0,0,0,0|0,0,2]=3 14 B13R1.14 COC(=O)\C=C\C1=CC=C(F)C=C1 CS-0037956 [0,1,0,0,0,0|0,0,0]=1 15 B13R1.15 CCC(=O)NCC1=CC=CC(Br)=C1 CS-0038953 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 CS-W009807 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CS-W020565 [0,1,0,0,0,0|0,0,2]=3 18 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CS-W019028 [0,1,0,0,0,0|0,0,2]=3 19 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 CS-W020701 [0,1,0,0,0,0|2,0,1]=4 20 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 CS-W021972 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 CS-0031471 [0,0,0,1,0,0|1,0,1]=3 22 B13R2.32 CC1=C2C=CC=NC2=CC=C1Br CS-0042366 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 CS-W007565 [0,0,0,1,0,0|2,0,1]=4 24 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 CS-W005234 [0,0,0,1,0,0|2,0,1]=4 25 B13R2.57 COC1=CC2=C(C=C1)C=NC=C2 CS-0005444 [0,0,0,1,0,0|2,0,0]=3 26 B13R2.57 COC1=CC=C2N=CC=CC2=C1 CS-W017948 [0,0,0,1,0,0|2,0,0]=3 27 B13R2.57 COC1=NC2=CC=CC=C2C=C1 CS-W006119 [0,0,0,1,0,0|1,0,0]=2 28 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS-W023193 [0,0,0,1,0,0|3,0,0]=4 29 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 CS-0007614 [0,0,0,1,0,0|3,0,0]=4 30 B11R1.40 COC(=O)CC1=CC=CC=C1 CS-W018528 [0,0,0,0,1,0|0,0,1]=2 31 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CS-D0368 [0,0,0,0,1,0|3,0,0]=4 32 B10R1.17 O=C\C=C\C1=CC=CC=C1 CS-0009609 [2,0,0,0,0,0|0,0,0]=2 33 B12R1.21 C(C(=O)O)=CC1=CC=C(C)C=C1 CS-W016115 [1,1,0,0,0,0|0,0,0]=2 34 B12R1.21 C(C1=CC=C(Br)C=C1)=C[N+](=O)[O-] CS-W016767 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS-W007646 [1,1,0,0,0,0|0,0,2]=4 36 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 CS-0035436 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O CS-W005088 [1,1,0,0,0,0|0,0,1]=3 38 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS-W014323 [1,1,0,0,0,0|0,0,1]=3 39 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CS-W017905 [1,1,0,0,0,0|0,0,2]=4 40 B12R1.125 O=C(O)CSC1=CC=CC=C1Cl CS-B1577 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 CS-M2097 [1,1,0,0,0,0|0,0,2]=4 42 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 CS-M2096 [1,1,0,0,0,0|0,0,0]=2 43 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 CS-0102086 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(Cl)=C1 CS-0046821 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 CS-0044463 [0,1,0,0,1,0|1,0,1]=4 46 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CS-0030595 [0,1,0,0,1,0|0,0,0]=2 47 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CS-0011289 [0,1,0,0,1,0|0,0,1]=3 48 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 CS-W017890 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.34 [C@H](O)(C(=O)OC)C1=CC=CC=C1 CS-W017868 [0,1,0,0,1,0|0,0,1]=3 50 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 CS-M1488 [0,1,0,0,1,0|0,0,1]=3 51 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 CS-W019829 [0,1,0,0,1,0|0,0,1]=3 52 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 CS-0102202 [0,1,0,0,1,0|1,0,1]=4 53 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS-W019150 [0,1,0,0,1,0|0,0,1]=3 54 B12R1.371 COC(=O)CC1=CC=CC=C1C CS-0088539 [0,1,0,0,1,0|0,0,1]=3 55 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 CS-M3531 [0,1,0,0,1,0|2,0,0]=4 56 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 CS-W005992 [0,1,0,0,0,1|0,0,2]=4 57 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS-M0975 [0,1,0,0,0,1|0,0,2]=4 58 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS-W010686 [0,1,0,0,0,1|0,0,2]=4 59 B14R1.756 COC(=O)C(=O)CCC1=CC=CC=C1 CS-0067775 [0,1,0,0,0,1|0,0,1]=3 60 B14R1.756 COC(=O)[C@@H](C)OCC1=CC=CC=C1 CS-M3386 [0,1,0,0,0,1|0,0,2]=4 61 B14R1.10 COC(=O)CC(=O)C1=CC=C(Cl)C=C1 CS-0067987 [0,2,0,0,0,0|0,0,1]=3 62 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CS-W007617 [0,2,0,0,0,0|0,0,1]=3 63 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=N1 CS-W004737 [0,2,0,0,0,0|1,0,1]=4 64 B14R1.134 COC(=O)C(N)CC1=CC=C(F)C=C1 CS-0097854 [0,2,0,0,0,0|0,0,2]=4 65 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 CS-0097783 [0,2,0,0,0,0|0,0,2]=4 66 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 CS-W006456 [0,2,0,0,0,0|0,0,2]=4 67 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 CS-W012554 [0,2,0,0,0,0|0,0,2]=4 68 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 CS-M2499 [0,2,0,0,0,0|0,0,2]=4 69 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 CS-0037204 [0,2,0,0,0,0|1,0,1]=4 70 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 CS-M0586 [0,2,0,0,0,0|1,0,1]=4 71 B14R1.727 COC(=O)COC1=CC=C(O)C=C1C CS-B0471 [0,2,0,0,0,0|1,0,1]=4 72 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 CS-M2098 [0,2,0,0,0,0|0,0,2]=4 73 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W012971 [0,2,0,0,0,0|0,0,2]=4 74 B14R1.156 C(C(=O)OCC=C)=CC1=CC=CC=C1 CS-W016797 [0,2,0,0,0,0|0,0,0]=2 75 B12R1.77 COC(=O)C1=CC=CC=C1C=O CS-W004677 [0,0,1,1,0,0|1,0,0]=3 76 B12R1.354 COC(=O)C1=C(Br)C=CC(I)=C1 CS-0037222 [0,0,1,1,0,0|2,0,0]=4 77 B12R1.354 COC(=O)C1=C(Br)C=CC(N)=C1 CS-W005932 [0,0,1,1,0,0|2,0,0]=4 78 B12R1.354 COC(=O)C1=C(C)C=CC(I)=C1 CS-0037729 [0,0,1,1,0,0|1,0,1]=4 79 B12R1.354 COC(=O)C1=C(F)C=CC(O)=C1 CS-W006328 [0,0,1,1,0,0|2,0,0]=4 80 B12R1.354 COC(=O)C1=C(I)C=CC(F)=C1 CS-0032319 [0,0,1,1,0,0|2,0,0]=4 81 B12R1.354 COC(=O)C1=C(N)C=CC(F)=C1 CS-W007783 [0,0,1,1,0,0|2,0,0]=4 82 B12R1.354 COC(=O)C1=C(N)C=CC(O)=C1 CS-W006604 [0,0,1,1,0,0|2,0,0]=4 83 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 CS-W004768 [0,0,1,1,0,0|2,0,0]=4 84 B12R1.354 COC(=O)C1=C(O)C=CC(F)=C1 CS-W005914 [0,0,1,1,0,0|2,0,0]=4 85 B12R1.354 COC(=O)C1=CC(Br)=CC=C1Cl CS-0097740 [0,0,1,1,0,0|2,0,0]=4 86 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1O CS-W023093 [0,0,1,1,0,0|2,0,0]=4 87 B12R1.354 COC(=O)C1=CC(N)=CC=C1Cl CS-0042707 [0,0,1,1,0,0|2,0,0]=4 88 B12R1.435 C#CC1=CC(C(=O)OC)=CC=C1 CS-W005738 [0,0,1,1,0,0|0,0,2]=4 89 B12R1.435 COC(=O)C1=CC(C#N)=CC=C1 CS-W022828 [0,0,1,1,0,0|1,0,1]=4 90 B12R1.435 COC(=O)C1=CC(C=O)=NC=C1 CS-W006156 [0,0,1,1,0,0|2,0,0]=4 91 B12R1.435 COC(=O)C1=CC=CC(CO)=C1 CS-0096392 [0,0,1,1,0,0|1,0,1]=4 92 B12R2.1081 IC1=CC=CC2=CC=CC=C12 CS-W007608 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS-W007537 [1,0,0,1,0,0|1,0,1]=4 94 B12R2.24 CC1=NC2=C(C=CC=N2)C=C1 CS-W016386 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.24 CC1=NC2=CC=CN=C2C=C1 CS-0021495 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.24 IC1=CC2=CC=CC=C2C=C1 CS-W005581 [1,0,0,1,0,0|1,0,1]=4 97 B12R2.24 O=C1C=NC2=CC=CC=C2N1 CS-W018235 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.24 O=C1CC2=CC=CC=C2CO1 CS-W016337 [1,0,0,1,0,0|1,0,1]=4 99 B12R2.24 O=C1COC2=CC=CC=C2O1 CS-0062232 [1,0,0,1,0,0|1,0,1]=4 100 B12R2.24 OC1=CC=C2N=CC=CC2=N1 CS-0039082 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.2403 O=S1(=O)C=CC2=CC=CC=C21 CS-0078608 [1,0,0,1,0,0|1,0,1]=4 102 B12R2.44 COC1=CC2=C(C=CN2)C=C1 CS-D1149 [0,0,0,1,1,0|2,0,0]=4 103 B14R2.95 COC(=O)C1=CNC2=CC=CC=C21 CS-D1229 [0,0,0,1,0,1|0,0,0]=2 104 B14R2.95 COC(=O)C1=CNC2=CN=CC=C21 CS-0043710 [0,0,0,1,0,1|1,0,0]=3 105 B14R2.95 COC(=O)C1=CNC2=NC=CC=C12 CS-B0498 [0,0,0,1,0,1|1,0,0]=3 106 B14R2.95 COC(=O)C1=NNC2=C1C=CC=C2 CS-W020527 [0,0,0,1,0,1|1,0,0]=3 107 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 CS-D1768 [0,1,0,1,0,0|1,0,1]=4 108 B14R2.260 CN1N=C(C2=CC=CC=C2)C=C1N CS-0059237 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.260 CN1N=C(C2=CC=CC=C2)CC1=O CS-0094262 [0,1,0,1,0,0|1,0,1]=4 110 B14R2.1019 COC1=CC(Cl)=C2N=CC=CC2=C1 CS-0043096 [0,1,0,1,0,0|2,0,0]=4 111 B14R2.1019 COC1=CC(N)=C2N=CC=CC2=C1 CS-W022555 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.22 NC1=CC(C2=CC=CC(F)=C2)=NO1 CS-0044492 [0,1,0,1,0,0|2,0,0]=4 113 B14R2.142 COC1=CC2=C(C=C1)NC=CC2=O CS-0044213 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.142 COC1=NC2=C(Br)C=CN=C2C=C1 CS-W022558 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.2332 COC1=CC2=CC=C(Br)C=C2C=C1 CS-W008969 [0,1,0,1,0,0|1,0,0]=3 116 B14R2.203 COC1=C2C=CC=CC2=CC=C1Br CS-0041682 [0,1,0,1,0,0|1,0,0]=3 117 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 CS-M2632 [0,1,0,1,0,0|0,0,0]=2 118 B14R2.972 COC(=O)C1=CC2=CC=CC=C2S1 CS-0043114 [0,1,0,1,0,0|0,0,0]=2 119 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 CS-M1687 [0,1,0,1,0,0|0,0,2]=4 120 B14R2.8188 CN1C(=O)C(Br)=CC2=CC=CC=C21 CS-W020422 [0,1,0,1,0,0|1,0,0]=3 121 B14R2.781 C[C@@H](N)C1=CC=C2C=CC=CC2=C1 CS-0009131 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.92 COC1=CC=C2C=CC=CC2=C1Br CS-W004988 [0,1,0,1,0,0|1,0,0]=3 123 B14R2.1801 COC1=CC=C2C(=O)NC=CC2=C1 CS-W005589 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.1801 COC1=CC=C2C(O)=CC=CC2=C1 CS-W006292 [0,1,0,1,0,0|1,0,0]=3 125 B10R1.18 CC(=O)NC1=CC=CN=C1 CS-0100272 [1,0,0,0,1,0|2,0,0]=4 126 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [1,0,0,0,1,0|1,0,1]=4 127 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [1,0,0,0,1,0|2,0,0]=4 128 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [1,0,0,0,1,0|1,0,1]=4 129 B10R1.66 O=C(O)\C=C\C1=CSC=C1 CS-0038106 [1,0,0,0,1,0|1,0,0]=3 130 B10R1.27 COC(=O)CC1=CSC=C1 CS-0019239 [0,0,0,0,2,0|1,0,1]=4 131 B10R1.15 COC(=O)C1=CC=CC=N1 CS-W005458 [0,0,0,0,2,0|1,0,0]=3 132 B10R1.15 COC(=O)C1=CN=CN=C1 CS-D0147 [0,0,0,0,2,0|2,0,0]=4 133 B10R1.15 COC(=O)C1=NC=CN=C1 CS-0080007 [0,0,0,0,2,0|2,0,0]=4 134 B10R1.15 COS(=O)C1=CC=CC=C1 CS-M2210 [0,0,0,0,2,0|1,0,0]=3 135 B10R1.15 NNC(=O)C1=CC=CC=C1 CS-W017759 [0,0,0,0,2,0|2,0,0]=4