0 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.91 N=C(O)OCC1=CC=CC=C1 CS-W004984 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 O=C(O)CSC1=CC=NC=C1 CS-W016033 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-W018179 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 CCOCC1=CC=CC=C1 CS-W018329 [1,0,0,0,0,0|0,0,1]=2 6 B10R1.17 O=C\C=C\C1=CC=CC=C1 CS-0009609 [1,0,0,0,0,0|1,0,1]=3 7 B12R1.21 C(C(=O)O)=CC1=CC=C(C)C=C1 CS-W016115 [0,1,0,0,0,0|2,0,1]=4 8 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS-W007646 [0,1,0,0,0,0|2,0,0]=3 9 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 CS-0035436 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.27 NNC(=O)CCC1=CC=CC=C1 CS-0046856 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS-W016057 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS-W010391 [0,1,0,0,0,0|0,0,0]=1 13 B12R1.27 O=C(CO)OCC1=CC=CC=C1 CS-W007485 [0,1,0,0,0,0|0,0,0]=1 14 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O CS-W005088 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W007567 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O CS-0015951 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS-W014323 [0,1,0,0,0,0|1,0,1]=3 18 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 CS-0097724 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CS-W017905 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 CS-M0651 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 CS-M0652 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.125 O=C(O)CSC1=CC=CC=C1Cl CS-B1577 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 CS-M2097 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 CS-M2096 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 CS-0102086 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.891 NS(=O)(=O)NCC1=CC=CC=C1 CS-M2865 [0,1,0,0,0,0|3,0,0]=4 27 B12R2.24 CC1CCC2=CC=CC=C2N1 CS-W019554 [0,0,0,1,0,0|2,0,1]=4 28 B12R2.24 NC1CCC2=CC=CC=C2C1 CS-W006188 [0,0,0,1,0,0|2,0,1]=4 29 B12R2.24 O=C1C=NC2=CC=CC=C2N1 CS-W018235 [0,0,0,1,0,0|3,0,0]=4 30 B12R2.24 O=C1CC2=CC=CC=C2CO1 CS-W016337 [0,0,0,1,0,0|0,0,0]=1 31 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 CS-0046843 [0,0,0,1,0,0|3,0,0]=4 32 B12R2.24 O=C1COC2=CC=CC=C2O1 CS-0062232 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.18 CC(=O)NC1=CC=CN=C1 CS-0100272 [0,0,0,0,1,0|2,0,0]=3 34 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [0,0,0,0,1,0|1,0,0]=2 35 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [0,0,0,0,1,0|1,0,0]=2 36 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [0,0,0,0,1,0|2,0,0]=3 37 B10R1.18 S=C(Cl)OC1=CC=CC=C1 CS-W008892 [0,0,0,0,1,0|1,1,0]=3 38 B12R1.252 CC(C)OCCC1=NC=CC=C1 CS-0101421 [0,0,0,0,0,1|2,0,1]=4 39 B9R1.8 CC#CC1=CC=CC=C1 CS-W013608 [2,0,0,0,0,0|0,0,2]=4 40 B9R1.8 NNCC1=CC=CC=C1 CS-W008735 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.8 NOCC1=CC=CC=C1 CS-W008676 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.8 ONCC1=CC=CC=C1 CS-W005571 [2,0,0,0,0,0|1,0,1]=4 43 B11R1.1 CCCCC1=CC=C(Br)C=C1 CS-W014978 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 CS-W019538 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.16 C(C)=CC(=O)C1=CC=CC=C1 CS-W010991 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.24 CCNCC1=CC=CC(Cl)=C1 CS-0045368 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.28 BrCCOCC1=CC=CC=C1 CS-W007388 [1,1,0,0,0,0|0,0,1]=3 48 B11R1.28 CCOCCC1=CC=CC=N1 CS-W018112 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.28 NCCOCC1=CC=CC=C1 CS-W018620 [1,1,0,0,0,0|0,0,1]=3 50 B11R1.28 OCCCCC1=CC=CC=C1 CS-W018137 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.40 COC(=O)CC1=CC=CC=C1 CS-W018528 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 CS-M2732 [0,1,0,0,1,0|0,0,0]=2 53 B11R1.20 CC(C)OC1=CC=C(N)C=C1 CS-0051136 [0,1,0,0,1,0|1,0,1]=4 54 B11R1.20 CC(C)OC1=CC=C(O)C=C1 CS-0000201 [0,1,0,0,1,0|1,0,1]=4 55 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS-0042617 [0,1,0,0,1,0|2,0,0]=4 56 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS-W018535 [0,1,0,0,1,0|1,0,0]=3 57 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS-D0933 [0,1,0,0,1,0|1,0,0]=3 58 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CS-0040300 [0,1,0,0,1,0|1,0,1]=4 59 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CS-0040396 [0,1,0,0,1,0|1,0,1]=4 60 B11R1.86 CC(=O)CC1=CC=CC=C1Cl CS-0043797 [0,1,0,0,1,0|0,0,0]=2 61 B11R1.86 CC(C)OC1=CC=CC=C1Br CS-W014904 [0,1,0,0,1,0|1,0,1]=4 62 B11R1.86 O=C(O)CC1=CC=CC=C1Br CS-W007544 [0,1,0,0,1,0|1,0,0]=3 63 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS-B0132 [0,1,0,0,1,0|0,0,0]=2 64 B11R1.157 CC1=CC=CC(OC(C)C)=C1 CS-0046837 [0,1,0,0,1,0|1,0,1]=4 65 B11R1.157 O=C(O)CC1=CC(Br)=NC=C1 CS-0102175 [0,1,0,0,1,0|2,0,0]=4 66 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS-W010777 [0,1,0,0,1,0|1,0,0]=3 67 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 CS-W004799 [0,1,0,0,1,0|1,0,0]=3 68 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS-D1532 [0,1,0,0,1,0|2,0,0]=4 69 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 CS-W021989 [0,1,0,0,0,1|2,0,0]=4 70 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O CS-M0172 [0,1,0,0,0,1|1,0,0]=3 71 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 CS-W020701 [0,1,0,0,0,1|1,0,1]=4 72 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 CS-M0889 [0,1,0,0,0,1|2,0,0]=4 73 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 CS-0030811 [0,1,0,0,0,1|2,0,0]=4 74 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 CS-W017265 [0,1,0,0,0,1|2,0,0]=4 75 B13R1.718 [C@H](O)(CO)COCC1=CC=CC=C1 CS-W017108 [0,1,0,0,0,1|0,0,2]=4 76 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 CS-W008014 [0,2,0,0,0,0|2,0,0]=4 77 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 CS-W017209 [0,2,0,0,0,0|1,0,0]=3 78 B13R1.14 COC(=O)\C=C\C1=CC=C(F)C=C1 CS-0037956 [0,2,0,0,0,0|1,0,1]=4 79 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 CS-W017054 [0,2,0,0,0,0|2,0,0]=4 80 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 CS-W022741 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O CS-0030550 [0,2,0,0,0,0|2,0,0]=4 82 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O CS-W012188 [0,2,0,0,0,0|2,0,0]=4 83 B13R1.133 [C@@H](N)(CC1=CC=C(Cl)C=C1)C(=O)O CS-W013201 [0,2,0,0,0,0|2,0,0]=4 84 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CS-0031396 [0,2,0,0,0,0|1,0,0]=3 85 B13R1.15 CCC(=O)NCC1=CC=CC(Br)=C1 CS-0038953 [0,2,0,0,0,0|1,0,0]=3 86 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 CS-W009807 [0,2,0,0,0,0|0,0,0]=2 87 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CS-W020565 [0,2,0,0,0,0|1,0,0]=3 88 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CS-W019028 [0,2,0,0,0,0|1,0,0]=3 89 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O CS-0041703 [0,2,0,0,0,0|2,0,0]=4 90 B13R1.148 N[C@H](CC1=CC=CC(Cl)=C1)C(=O)O CS-W010498 [0,2,0,0,0,0|2,0,0]=4 91 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(=O)O CS-0011436 [0,2,0,0,0,0|2,0,0]=4 92 B13R1.202 N[C@@H](CC1=CC=CC=C1Br)C(=O)O CS-0059190 [0,2,0,0,0,0|2,0,0]=4 93 B13R1.202 N[C@H](CC1=CC=CC=C1F)C(=O)O CS-W010744 [0,2,0,0,0,0|2,0,0]=4 94 B13R1.3420 O=C(O)CCC1=CC(Cl)=CC(Cl)=C1 CS-0063162 [0,2,0,0,0,0|2,0,0]=4 95 B11R2.1 CC1=NNC2=C1C=CC=C2 CS-W019873 [1,0,0,1,0,0|2,0,0]=4 96 B11R2.1 O=C1OCC2=NC=CC=C12 CS-0030457 [1,0,0,1,0,0|1,0,0]=3 97 B11R2.1 OB1OCC2=CC=CC=C12 CS-0078606 [1,0,0,1,0,0|1,0,1]=4 98 B11R2.1 OC1=NCC2=CC=CC=C21 CS-W004767 [1,0,0,1,0,0|1,0,1]=4 99 B11R2.10 CC1=CC2=C(C=CC=C2)S1 CS-W021725 [0,0,0,1,1,0|0,1,1]=4 100 B11R2.10 CC1=NC2=CC=CC=C2N1 CS-W013410 [0,0,0,1,1,0|2,0,0]=4 101 B11R2.10 CC1=NC2=NC=CC=C2O1 CS-W023072 [0,0,0,1,1,0|2,0,0]=4 102 B11R2.10 N=C1NC2=CC=CC=C2O1 CS-W007637 [0,0,0,1,1,0|2,0,0]=4 103 B11R2.10 O=C1CC2=CC=CC=C2O1 CS-M0764 [0,0,0,1,1,0|0,0,0]=2 104 B11R2.10 O=C1CC2=CC=CN=C2N1 CS-W019704 [0,0,0,1,1,0|2,0,0]=4 105 B11R2.10 O=C1CN2C=CC=CC2=N1 CS-0005554 [0,0,0,1,1,0|2,0,0]=4 106 B11R2.10 O=C1NC2=C(C=CC=C2)S1 CS-W019496 [0,0,0,1,1,0|1,1,0]=4 107 B11R2.10 O=C1NC2=NC=CC=C2O1 CS-0012220 [0,0,0,1,1,0|2,0,0]=4 108 B11R2.10 OC1CC2=CC=CC=C2C1 CS-W004877 [0,0,0,1,1,0|0,0,2]=4 109 B11R2.10 SC1=NC2=CC=CC=C2O1 CS-W018116 [0,0,0,1,1,0|1,1,0]=4 110 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 CS-0031471 [0,0,0,1,0,1|1,0,0]=3 111 B13R2.72 CC(=O)C1=NNC2=CC=CC=C21 CS-W006825 [0,0,0,1,0,1|2,0,0]=4 112 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 CS-W018638 [0,0,0,1,0,1|2,0,0]=4 113 B13R2.163 O=C1CCCC2=CC=CC=C2N1 CS-D0727 [0,0,0,1,0,1|2,0,0]=4 114 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 CS-W021743 [0,0,0,1,0,1|2,0,0]=4 115 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 CS-B1359 [0,0,0,1,0,1|0,0,2]=4 116 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)N1 CS-D0892 [0,1,0,1,0,0|1,0,0]=3 117 B13R2.155 O=C1NCC2=C(C=C(Br)C=C2)N1 CS-0041907 [0,1,0,1,0,0|2,0,0]=4 118 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 CS-0059232 [0,1,0,1,0,0|1,0,1]=4 119 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 CS-D0712 [0,1,0,1,0,0|1,0,1]=4 120 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 CS-M2631 [0,1,0,1,0,0|2,0,0]=4 121 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CS-W010863 [0,1,0,1,0,0|0,0,1]=3 122 B13R2.5179 O=C1CCC2=C(C=CC=C2Br)C1 CS-B0105 [0,1,0,1,0,0|1,0,0]=3 123 B13R2.5179 O=C1CCC2=C(C=CC=C2Br)N1 CS-W019900 [0,1,0,1,0,0|2,0,0]=4 124 B13R2.5179 O=C1CCC2=C(C=CC=C2O)N1 CS-0059153 [0,1,0,1,0,0|2,0,0]=4 125 B13R2.162 O=C1CCC2=C(N1)C(Cl)=CC=C2 CS-0101668 [0,1,0,1,0,0|2,0,0]=4 126 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2C1 CS-M0859 [0,1,0,1,0,0|1,0,0]=3 127 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)C1 CS-B0116 [0,1,0,1,0,0|1,0,0]=3 128 B13R2.3683 O=C1CCC2=C(C=CC(O)=C2)N1 CS-W002905 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.6 CC(=O)C1=CC=CN=C1 CS-W008604 [0,0,0,0,2,0|1,0,0]=3 130 B9R1.6 CC(=O)C1=CC=NC=C1 CS-W008727 [0,0,0,0,2,0|1,0,0]=3 131 B9R1.6 CC(=O)C1=NC=CC=N1 CS-W003508 [0,0,0,0,2,0|2,0,0]=4 132 B9R1.6 CC(N)C1=CC=CC=C1 CS-W013564 [0,0,0,0,2,0|1,0,1]=4 133 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CS-W008645 [0,0,0,0,2,0|1,0,1]=4 134 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CS-M2101 [0,0,0,0,2,0|0,0,2]=4 135 B9R1.6 O=C(O)C1=NC=CC=C1 CS-0063155 [0,0,0,0,2,0|2,0,0]=4 136 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0035271 [0,0,0,0,2,0|1,0,0]=3