0 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.91 N=C(O)OCC1=CC=CC=C1 CS-W004984 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.91 O=C(O)CSC1=CC=NC=C1 CS-W016033 [0,0,0,0,0,0|1,1,0]=2 4 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-W018179 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 CS-0033829 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.17 BrCCOC1=CC=CC=C1 CS-W015572 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.17 ClCCSC1=CC=CC=C1 CS-M0048 [1,0,0,0,0,0|1,1,1]=4 8 B10R1.17 O=C\C=C\C1=CC=CC=C1 CS-0009609 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.17 OCCCC1=NC=CC=C1 CS-0079867 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.21 C(C(=O)O)=CC1=CC=C(C)C=C1 CS-W016115 [0,1,0,0,0,0|1,0,1]=3 11 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS-W007646 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.21 O=C(O)COC1=NC=C(Br)C=N1 CS-W021369 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 CS-0035436 [0,1,0,0,0,0|0,1,0]=2 14 B12R1.21 O=C(O)CSC1=NC=C(Br)C=N1 CS-0060280 [0,1,0,0,0,0|2,1,0]=4 15 B12R1.27 NNC(=O)CCC1=CC=CC=C1 CS-0046856 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS-W016057 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS-W010391 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.27 O=C(CO)OCC1=CC=CC=C1 CS-W007485 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O CS-W005088 [0,1,0,0,0,0|1,0,1]=3 20 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W007567 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O CS-0015951 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS-W014323 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CS-W017905 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 CS-M0651 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 CS-M0652 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.125 O=C(O)CSC1=CC=CC=C1Cl CS-B1577 [0,1,0,0,0,0|0,1,0]=2 27 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 CS-M2097 [0,1,0,0,0,0|1,0,0]=2 28 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 CS-M2096 [0,1,0,0,0,0|1,0,1]=3 29 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 CS-0102086 [0,1,0,0,0,0|0,0,0]=1 30 B12R2.24 O=C1C=NC2=CC=CC=C2N1 CS-W018235 [0,0,0,1,0,0|2,0,1]=4 31 B12R2.24 O=C1CC2=CC=CC=C2CO1 CS-W016337 [0,0,0,1,0,0|3,0,0]=4 32 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 CS-0046843 [0,0,0,1,0,0|2,0,0]=3 33 B12R2.24 O=C1COC2=CC=CC=C2O1 CS-0062232 [0,0,0,1,0,0|0,0,0]=1 34 B10R1.18 CC(=O)NC1=CC=CN=C1 CS-0100272 [0,0,0,0,1,0|3,0,0]=4 35 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [0,0,0,0,1,0|1,0,0]=2 36 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [0,0,0,0,1,0|1,0,0]=2 37 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [0,0,0,0,1,0|1,0,0]=2 38 B10R1.18 S=C(Cl)OC1=CC=CC=C1 CS-W008892 [0,0,0,0,1,0|1,1,0]=3 39 B10R1.66 O=C(O)\C=C\C1=CSC=C1 CS-0038106 [0,0,0,0,1,0|2,0,1]=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|2,0,0]=4 42 B9R1.8 OCCC1=CC=NC=C1 CS-W016575 [2,0,0,0,0,0|1,0,1]=4 43 B9R1.8 ONCC1=CC=CC=C1 CS-W005571 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.1 NCCOC1=CC=C(F)C=C1 CS-0073022 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 CS-W019538 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.1 OCCCC1=CC=C(Br)C=C1 CS-B0314 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 CS-W019696 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.24 CC1=CC=CC(CCCO)=C1 CS-M2099 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.28 BrCCCOC1=CC=CC=C1 CS-0030579 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.28 BrCCOCC1=CC=CC=C1 CS-W007388 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.28 NCCOCC1=CC=CC=C1 CS-W018620 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.28 OCCCCC1=CC=CC=C1 CS-W018137 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CS-D1142 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 CS-M2732 [0,1,0,0,1,0|1,0,0]=3 55 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS-0042617 [0,1,0,0,1,0|1,0,0]=3 56 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS-W018535 [0,1,0,0,1,0|0,0,0]=2 57 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS-D0933 [0,1,0,0,1,0|0,0,0]=2 58 B11R1.86 CC(=O)CC1=CC=CC=C1Cl CS-0043797 [0,1,0,0,1,0|1,0,0]=3 59 B11R1.86 O=C(O)CC1=CC=CC=C1Br CS-W007544 [0,1,0,0,1,0|0,0,0]=2 60 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS-B0132 [0,1,0,0,1,0|1,0,0]=3 61 B11R1.157 O=C(O)CC1=CC(Br)=NC=C1 CS-0102175 [0,1,0,0,1,0|1,0,0]=3 62 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS-W010777 [0,1,0,0,1,0|0,0,0]=2 63 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 CS-W004799 [0,1,0,0,1,0|0,0,0]=2 64 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O CS-M2655 [0,1,0,0,1,0|2,0,0]=4 65 B11R1.35 [C@@H](N)(CC1=CC=CO1)C(=O)O CS-0043946 [0,1,0,0,1,0|2,0,0]=4 66 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 CS-W014999 [0,1,0,0,0,1|0,1,0]=3 67 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 CS-0040775 [0,1,0,0,0,1|1,0,1]=4 68 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 CS-W021989 [0,1,0,0,0,1|1,0,0]=3 69 B13R1.158 O=C(O)C\C=C\C1=CC=CC=C1F CS-M0695 [0,1,0,0,0,1|1,0,0]=3 70 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O CS-M0172 [0,1,0,0,0,1|0,0,0]=2 71 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 CS-M0889 [0,1,0,0,0,1|1,0,0]=3 72 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 CS-0030811 [0,1,0,0,0,1|1,0,0]=3 73 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 CS-W017265 [0,1,0,0,0,1|1,0,0]=3 74 B13R1.718 [C@H](O)(CO)COCC1=CC=CC=C1 CS-W017108 [0,1,0,0,0,1|0,0,2]=4 75 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 CS-W008014 [0,2,0,0,0,0|1,0,0]=3 76 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 CS-W017209 [0,2,0,0,0,0|1,0,0]=3 77 B13R1.14 COC(=O)\C=C\C1=CC=C(F)C=C1 CS-0037956 [0,2,0,0,0,0|1,0,1]=4 78 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 CS-W017054 [0,2,0,0,0,0|1,0,0]=3 79 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 CS-W022741 [0,2,0,0,0,0|1,0,0]=3 80 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O CS-0030550 [0,2,0,0,0,0|1,0,0]=3 81 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O CS-W012188 [0,2,0,0,0,0|1,0,0]=3 82 B13R1.133 [C@@H](N)(CC1=CC=C(Cl)C=C1)C(=O)O CS-W013201 [0,2,0,0,0,0|1,0,0]=3 83 B13R1.133 [C@H](C)(OC1=CC=C(O)C=C1)C(=O)O CS-WAA0110 [0,2,0,0,0,0|0,0,0]=2 84 B13R1.164 O=C(O)COC1=CC=C(Cl)C=C1Cl CS-0008188 [0,2,0,0,0,0|0,0,0]=2 85 B13R1.164 O=C(O)\C=C\C1=CC=C(Cl)C=C1Cl CS-0058404 [0,2,0,0,0,0|1,0,1]=4 86 B13R1.11 COC(=O)CC(=O)C1=CC=CN=C1 CS-0103379 [0,2,0,0,0,0|2,0,0]=4 87 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 CS-W023135 [0,2,0,0,0,0|2,0,0]=4 88 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CS-0031396 [0,2,0,0,0,0|1,0,0]=3 89 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CS-W020565 [0,2,0,0,0,0|1,0,0]=3 90 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CS-W019028 [0,2,0,0,0,0|1,0,0]=3 91 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O CS-0041703 [0,2,0,0,0,0|1,0,0]=3 92 B13R1.148 N[C@H](CC1=CC=CC(Cl)=C1)C(=O)O CS-W010498 [0,2,0,0,0,0|1,0,0]=3 93 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(=O)O CS-0011436 [0,2,0,0,0,0|1,0,0]=3 94 B13R1.202 N[C@@H](CC1=CC=CC=C1Br)C(=O)O CS-0059190 [0,2,0,0,0,0|1,0,0]=3 95 B13R1.202 N[C@H](CC1=CC=CC=C1F)C(=O)O CS-W010744 [0,2,0,0,0,0|1,0,0]=3 96 B13R1.643 COC1=CC(OCC(=O)O)=CC=C1 CS-0073453 [0,2,0,0,0,0|0,0,0]=2 97 B13R1.3420 O=C(O)CCC1=CC(Cl)=CC(Cl)=C1 CS-0063162 [0,2,0,0,0,0|1,0,0]=3 98 B11R2.1 ClC1=NOC2=C1C=CC=C2 CS-W019471 [1,0,0,1,0,0|2,0,0]=4 99 B11R2.1 OC1=NCC2=CC=CC=C21 CS-W004767 [1,0,0,1,0,0|2,0,0]=4 100 B11R2.1 OC1=NSC2=CC=CC=C21 CS-W018117 [1,0,0,1,0,0|1,1,0]=4 101 B11R2.1 OC1CCC2=C1C=CC=C2 CS-0017842 [1,0,0,1,0,0|1,0,1]=4 102 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 CS-W013378 [1,0,0,1,0,0|1,0,1]=4 103 B11R2.20 C1=CC=C2OCCNC2=C1 CS-W004783 [1,0,0,1,0,0|1,0,1]=4 104 B11R2.10 N=C1NC2=CC=CC=C2O1 CS-W007637 [0,0,0,1,1,0|2,0,0]=4 105 B11R2.10 O=C1CC2=CC=CC=C2O1 CS-M0764 [0,0,0,1,1,0|0,0,0]=2 106 B11R2.10 O=C1CC2=CC=CN=C2N1 CS-W019704 [0,0,0,1,1,0|2,0,0]=4 107 B11R2.10 O=C1CN2C=CC=CC2=N1 CS-0005554 [0,0,0,1,1,0|2,0,0]=4 108 B11R2.10 O=C1NC2=C(C=CC=C2)S1 CS-W019496 [0,0,0,1,1,0|1,1,0]=4 109 B11R2.10 O=C1NC2=NC=CC=C2O1 CS-0012220 [0,0,0,1,1,0|2,0,0]=4 110 B11R2.10 OC1=NC2=C(C1)N=CC=C2 CS-0044058 [0,0,0,1,1,0|2,0,0]=4 111 B11R2.10 OC1CC2=CC=CC=C2C1 CS-W004877 [0,0,0,1,1,0|1,0,1]=4 112 B11R2.10 SC1=NC2=CC=CC=C2O1 CS-W018116 [0,0,0,1,1,0|1,1,0]=4 113 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 CS-0031471 [0,0,0,1,0,1|2,0,0]=4 114 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 CS-W018638 [0,0,0,1,0,1|1,0,0]=3 115 B13R2.163 O=C1CCCC2=CC=CC=C2N1 CS-D0727 [0,0,0,1,0,1|2,0,0]=4 116 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 CS-W021743 [0,0,0,1,0,1|1,0,0]=3 117 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 CS-B1359 [0,0,0,1,0,1|1,0,1]=4 118 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)N1 CS-D0892 [0,1,0,1,0,0|2,0,0]=4 119 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 CS-0032411 [0,1,0,1,0,0|1,0,1]=4 120 B13R2.155 O=C1COC2=C(C=C(Br)C=N2)N1 CS-W019103 [0,1,0,1,0,0|2,0,0]=4 121 B13R2.155 OC1=NC2=C(C=CC(F)=C2)CC1 CS-0043835 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O CS-0035849 [0,1,0,1,0,0|1,0,0]=3 123 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 CS-0059232 [0,1,0,1,0,0|1,0,1]=4 124 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 CS-W004876 [0,1,0,1,0,0|0,1,1]=4 125 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 CS-M2631 [0,1,0,1,0,0|1,0,0]=3 126 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 CS-0101677 [0,1,0,1,0,0|1,0,1]=4 127 B13R2.5179 O=C1CCC2=C(C=CC=C2Br)C1 CS-B0105 [0,1,0,1,0,0|2,0,0]=4 128 B13R2.5179 O=C1CCC2=C(C=CC=C2Br)N1 CS-W019900 [0,1,0,1,0,0|2,0,0]=4 129 B13R2.5179 O=C1CCC2=C(C=CC=C2O)N1 CS-0059153 [0,1,0,1,0,0|2,0,0]=4 130 B13R2.162 O=C1C=CC2=CC=CC(O)=C2O1 CS-B1326 [0,1,0,1,0,0|1,0,1]=4 131 B13R2.162 O=C1CCC2=C(N1)C(Cl)=CC=C2 CS-0101668 [0,1,0,1,0,0|2,0,0]=4 132 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2C1 CS-M0859 [0,1,0,1,0,0|2,0,0]=4 133 B13R2.162 O=C1COC2=CC=CC(F)=C2N1 CS-0085234 [0,1,0,1,0,0|1,0,0]=3 134 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)C1 CS-B0116 [0,1,0,1,0,0|2,0,0]=4 135 B13R2.3683 O=C1CCC2=C(C=CC(O)=C2)N1 CS-W002905 [0,1,0,1,0,0|2,0,0]=4 136 B13R2.3683 O=C1COC2=CC(Br)=CC=C2N1 CS-W005367 [0,1,0,1,0,0|1,0,0]=3 137 B9R1.6 CC(=O)C1=CC=CN=C1 CS-W008604 [0,0,0,0,2,0|2,0,0]=4 138 B9R1.6 CC(=O)C1=CC=NC=C1 CS-W008727 [0,0,0,0,2,0|2,0,0]=4 139 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CS-M2101 [0,0,0,0,2,0|1,0,1]=4 140 B9R1.6 O=C(O)C1=NC=CC=C1 CS-0063155 [0,0,0,0,2,0|1,0,0]=3 141 B9R1.6 O=C(O)C1=NC=CN=C1 CS-M0892 [0,0,0,0,2,0|2,0,0]=4 142 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0035271 [0,0,0,0,2,0|0,0,1]=3 143 B9R1.13 O=C(O)CN1C=CN=C1 CS-W011164 [0,0,0,0,2,0|2,0,0]=4