0 B12R1.30 CC(NCCN)C1=CC=CC=C1 DY583707 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.30 CCCCC(N)C1=CC=CN=C1 DY604358 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.30 CCCOC(=O)C1=CC=CC=C1 NO11887 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.30 CN(CCCN)C1=CC=CC=C1 DY558993 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.30 N#CCNC(=O)C1=NC=CC=C1 DY456454 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.30 NC(CCCO)C1=CC=CC=C1 DY554247 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.30 NCCNC(=O)C1=CN=CC=C1 DY569109 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.30 O=C(CCCO)C1=CC=CN=C1 DY713917 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.30 O=C(NCCBr)C1=NC=CC=C1 DY663074 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.30 O=C(NCCO)C1=CN=CC=C1 NO11709 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.16 CCCC(=O)C1=NC=CN=C1 DY710605 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.16 CCOC(=N)C1=CC=CC=C1 DY744223 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.16 CCOC(=N)C1=CN=CC=C1 DY714620 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.16 CCOC(=O)C1=CN=CC=C1 NO19194 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.16 CCOC(=O)C1=CN=NC=C1 DY736430 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.16 CCOC(=O)C1=NC=CC=C1 NO14035 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.16 CN(CCN)C1=CC=CC=C1 NO11704 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.16 CNCC(=O)C1=CC=CC=C1 DY794643 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.16 CNCC(O)C1=CC=CC=C1 DY446674 [1,0,0,0,0,0|1,0,2]=4 19 B11R1.16 ClCCC(Cl)C1=CC=CC=C1 DY522237 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.16 N#CCC(=O)C1=CC=CC=C1 NO10995 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 NO21217 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.16 O=[P+](OCO)C1=CC=CC=C1 DY796893 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.16 OC(CCCl)C1=CC=CC=C1 NO22197 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 NO10897 [1,0,0,0,0,0|1,0,2]=4 25 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 DY20313 [1,0,0,0,0,0|1,0,2]=4 26 B11R1.28 BrCCCCC1=CC=CC=C1 DY519843 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.28 BrCCCOC1=CC=CC=C1 NO15031 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.28 BrCCOCC1=CC=CC=C1 NO10998 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.28 CCCCCC1=CC=CC=C1 DY745567 [1,0,0,0,0,0|1,0,1]=3 30 B11R1.28 CCO\C=N\C1=CC=CC=C1 DY566853 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.28 CNCCOC1=CC=CC=C1 DY551817 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.28 NCCOCC1=CC=CC=C1 NO20892 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.28 NOCOCC1=CC=CC=C1 DY798807 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.28 OCCCCC1=CC=CC=C1 NO11170 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.28 OCCOCC1=CC=CC=C1 DY20071 [1,0,0,0,0,0|1,0,1]=3 36 B13R1.17 CCCCC(=O)C1=CC=C(Br)C=C1 DY569241 [0,1,0,0,0,0|1,0,0]=2 37 B13R1.17 CCCCC(=O)C1=CC=C(Cl)C=C1 NO22799 [0,1,0,0,0,0|1,0,0]=2 38 B13R1.17 CCCCC(=O)C1=CC=C(F)C=C1 DY585166 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 DY746995 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 DY21005 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.24 C=CCCOC(=O)C1=CC=CC=C1 DY746035 [0,1,0,0,0,0|0,0,1]=2 42 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 DY822137 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.24 CCCCCC(=O)C1=CC=CN=C1 DY652749 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.24 CCCCC[C@@H](N)C1=CC=CC=C1 DY585434 [0,1,0,0,0,0|2,0,1]=4 45 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 DY21065 [0,1,0,0,0,0|0,0,0]=1 46 B13R1.45 CC(O)CCC(=O)C1=CC=CC=C1 NO14046 [0,1,0,0,0,0|1,0,0]=2 47 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 NO22116 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.47 CCCC(Br)C(=O)C1=CC=CC=C1 DY746791 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 DY528423 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.47 CCOC(=O)C(=O)C1=NC=CC=C1 DY560019 [0,1,0,0,0,0|3,0,0]=4 51 B13R1.674 CCCCC(=O)C1=NC=CC=C1C DY652310 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.674 CCCNC(=O)C1=C(Br)C=CC=C1 DY612329 [0,1,0,0,0,0|1,0,0]=2 53 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 NO19345 [0,0,0,1,0,0|2,0,1]=4 54 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 DY568227 [0,0,0,1,0,0|2,0,1]=4 55 B13R2.371 NC1CCC(=O)C2=CC=CC=C21 DY765857 [0,0,0,1,0,0|2,0,0]=3 56 B13R2.371 O=C1CCC(Br)C2=CC=CC=C12 DY766307 [0,0,0,1,0,0|2,0,0]=3 57 B13R2.5252 C=C1CCCCC2=C1C=CC=C2 NO17849 [0,0,0,1,0,0|2,0,0]=3 58 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 DY20683 [0,0,0,1,0,0|1,0,0]=2 59 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 NO11086 [0,0,0,1,0,0|2,0,0]=3 60 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 DY561729 [0,0,0,1,0,0|2,0,1]=4 61 B13R2.8137 N[C@@H](C1=CC=CC=C1)C2CCC2 DY536835 [0,0,0,1,0,0|2,0,1]=4 62 B13R2.8137 O=C(C1=NC=CC=C1)C2CNC2 DY539337 [0,0,0,1,0,0|3,0,0]=4 63 B13R1.44 NCCCC(=O)NC1=CC=NC=C1 DY520431 [0,0,0,0,0,1|3,0,0]=4 64 B13R1.44 O=C(NCCCl)NC1=CC=CN=C1 DY711409 [0,0,0,0,0,1|3,0,0]=4 65 B10R1.15 C#CC(=O)C1=CC=CC=C1 DY551139 [2,0,0,0,0,0|0,0,2]=4 66 B10R1.15 C=C(CBr)C1=CC=CC=C1 NO20091 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.15 CCC(=O)C1=CC=NC=C1 DY584353 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.15 CCC(C)C1=CC=CC=C1 NO11947 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.15 CCC(O)C1=CC=CC=C1 DY580677 [2,0,0,0,0,0|0,0,2]=4 70 B10R1.15 CCS(=O)C1=CC=CC=C1 DY746839 [2,0,0,0,0,0|1,0,0]=3 71 B10R1.15 CC[C@H](N)C1=CC=CC=C1 DY20337 [2,0,0,0,0,0|1,0,1]=4 72 B10R1.15 COC(=O)C1=CC=NC=C1 NO18945 [2,0,0,0,0,0|1,0,0]=3 73 B10R1.15 COC(=O)C1=CN=CC=C1 NO19425 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.15 COC(=O)C1=CN=NC=C1 NO13474 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.15 COC(=O)C1=NC=CC=C1 NO19684 [2,0,0,0,0,0|1,0,0]=3 76 B10R1.15 COC(=O)C1=NC=CC=N1 NO19792 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.15 COC(=O)C1=NC=NC=C1 DY444562 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.15 COS(=O)C1=CC=CC=C1 DY566439 [2,0,0,0,0,0|1,0,0]=3 79 B10R1.15 NCC(=O)C1=CC=CC=C1 NO10874 [2,0,0,0,0,0|1,0,0]=3 80 B10R1.15 NNC(=O)C1=CC=CC=C1 NO10971 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.15 O=C(CBr)C1=CC=CC=C1 NO19274 [2,0,0,0,0,0|1,0,0]=3 82 B10R1.15 O=C(CBr)C1=CC=NC=C1 NO20175 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.17 BrCCOC1=CC=CC=C1 DY20150 [2,0,0,0,0,0|1,0,0]=3 84 B10R1.17 CCCC[N+]1=CC=CC=C1 DY538095 [2,0,0,0,0,0|1,0,1]=4 85 B10R1.17 CCOCC1=CC=NC=C1 DY657931 [2,0,0,0,0,0|1,0,1]=4 86 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY41818 [2,0,0,0,0,0|1,0,1]=4 87 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY539883 [2,0,0,0,0,0|1,0,1]=4 88 B10R1.17 NCCOC1=CC=CC=C1 NO20484 [2,0,0,0,0,0|1,0,0]=3 89 B10R1.17 NCCOC1=CC=CN=C1 NO16368 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.17 OC\C=C\C1=CC=CC=C1 DY503697 [2,0,0,0,0,0|1,0,1]=4 91 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 DY542367 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 DY796587 [1,1,0,0,0,0|0,0,0]=2 93 B12R1.16 CCCC(C)C1=CC=C(O)C=C1 DY822171 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.16 CCNC(=O)C1=CC=C(Br)C=C1 DY612366 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 NO11362 [1,1,0,0,0,0|0,0,0]=2 96 B12R1.16 CCOC(=O)C1=CC=C(C)N=N1 DY736508 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 NO11363 [1,1,0,0,0,0|0,0,0]=2 98 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=N1 NO12305 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 NO21694 [1,1,0,0,0,0|0,0,0]=2 100 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 NO18640 [1,1,0,0,0,0|0,0,0]=2 101 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 NO12492 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 NO11397 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 NO20898 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 NO12296 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 DY552945 [1,1,0,0,0,0|1,0,0]=3 106 B12R1.16 CCOC(=O)C1=CN=C(N)N=C1 NO21311 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 NO18817 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.16 CCOC(=O)C1=CNC(=S)C=C1 DY662050 [1,1,0,0,0,0|1,0,0]=3 109 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 NO19325 [1,1,0,0,0,0|1,0,0]=3 110 B12R1.16 CCOC(=O)C1=NC=C(Br)C=N1 NO12561 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.16 CCOC(=O)C1=NC=C(Br)N=C1 NO12107 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 NO14696 [1,1,0,0,0,0|1,0,0]=3 113 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=N1 DY512925 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.16 CCOC(=O)C1=NC=C(Cl)N=C1 NO16733 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 NO10944 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.17 CCOC(=O)C1=CC(Br)=CC=C1 DY40031 [1,1,0,0,0,0|0,0,0]=2 117 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 DY20736 [1,1,0,0,0,0|1,0,0]=3 118 B12R1.17 CCOC(=O)C1=CC(C)=CC=C1 DY790947 [1,1,0,0,0,0|0,0,0]=2 119 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 NO14959 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.17 CCOC(=O)C1=CC(I)=CC=C1 NO11354 [1,1,0,0,0,0|0,0,0]=2 121 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 DY40025 [1,1,0,0,0,0|0,0,0]=2 122 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 NO11352 [1,1,0,0,0,0|0,0,0]=2 123 B12R1.17 CCOC(=O)C1=CN=CC(Br)=C1 NO22041 [1,1,0,0,0,0|1,0,0]=3 124 B12R1.17 CCOC(=O)C1=CN=CC(C)=C1 DY712657 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.17 CCOC(=O)C1=CN=CC(F)=C1 DY430707 [1,1,0,0,0,0|1,0,0]=3 126 B12R1.17 CCOC(=O)C1=CN=CC(O)=C1 DY562233 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 NO13935 [1,1,0,0,0,0|1,0,0]=3 128 B12R1.17 CCOC(=O)C1=NC(Cl)=CC=C1 NO15548 [1,1,0,0,0,0|1,0,0]=3 129 B12R1.17 CCOC(=O)C1=NC(F)=CC=C1 DY662038 [1,1,0,0,0,0|1,0,0]=3 130 B12R1.17 CCOC(=O)C1=NC(N)=CC=C1 NO10611 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.17 CCOC(=O)C1=NC=CC(N)=N1 NO12503 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.17 N#CCC(=O)C1=CC(Cl)=CC=C1 NO21429 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 DY581283 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.107 CC(Br)CC(C)C1=CC=CC=C1 DY747547 [1,1,0,0,0,0|1,0,1]=4 135 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 DY459348 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 NO17400 [1,1,0,0,0,0|1,0,1]=4 137 B12R1.308 CCNC(=O)C1=C(Br)C=CC=C1 DY572475 [1,1,0,0,0,0|1,0,0]=3 138 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 DY20191 [1,1,0,0,0,0|0,0,0]=2 139 B12R1.308 CCOC(=O)C1=C(Br)C=NC=C1 DY20829 [1,1,0,0,0,0|1,0,0]=3 140 B12R1.308 CCOC(=O)C1=C(Br)N=CC=C1 NO21405 [1,1,0,0,0,0|1,0,0]=3 141 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 NO20897 [1,1,0,0,0,0|1,0,0]=3 142 B12R1.308 CCOC(=O)C1=C(Cl)N=NC=C1 DY524061 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 NO11340 [1,1,0,0,0,0|0,0,0]=2 144 B12R1.308 CCOC(=O)C1=CN=CC=C1C DY711145 [1,1,0,0,0,0|1,0,0]=3 145 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl NO18275 [1,1,0,0,0,0|1,0,0]=3 146 B12R1.308 CCOC(=O)C1=CN=CN=C1C DY506658 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl NO18296 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.308 CCOC(=O)C1=CN=CN=C1O NO18328 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.308 CCOC(=O)C1=CN=CNC1=O NO17889 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.308 CCOC(=O)C1=NC=CC=C1C DY562089 [1,1,0,0,0,0|1,0,0]=3 151 B12R1.308 CCOC(=O)C1=NC=CC=C1N NO22110 [1,1,0,0,0,0|1,0,0]=3 152 B12R1.308 CCOC(=O)C1=NC=NC=C1Br NO13681 [1,1,0,0,0,0|2,0,0]=4 153 B12R1.308 N#CCC(=O)C1=C(Cl)C=CC=C1 NO21428 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.8 CCNCCCC1=CC=CC=C1 DY610544 [1,1,0,0,0,0|1,0,1]=4 155 B12R1.8 CNCC\C=C\c1cccnc1 DY541689 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.8 NCCCNCC1=CC=CC=C1 NO11742 [1,1,0,0,0,0|1,0,1]=4 157 B12R1.8 OCCCNCC1=CC=CC=C1 DY555777 [1,1,0,0,0,0|1,0,1]=4 158 B12R1.8 OCCC\C=C\C1=CC=CC=C1 DY517527 [1,1,0,0,0,0|1,0,0]=3 159 B12R1.27 CCC(C)NCc1ccccc1 DY555507 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 NO20248 [1,1,0,0,0,0|0,0,1]=3 161 B14R1.29 CCCC(C)CC(=O)C1=CC=CC=C1 NO17515 [0,2,0,0,0,0|1,0,0]=3 162 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 NO11380 [0,2,0,0,0,0|1,0,1]=4 163 B14R1.19 CCCCCC(=O)C1=CC=C(Cl)C=C1 DY445711 [0,2,0,0,0,0|1,0,0]=3 164 B14R1.19 CCCCOC(=O)C1=CC=C(O)C=C1 NO11088 [0,2,0,0,0,0|0,0,0]=2 165 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C)C=C1 DY560091 [0,2,0,0,0,0|2,0,0]=4 166 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 NO10064 [0,2,0,0,0,0|2,0,0]=4 167 B14R1.125 CC1=CC=C(S(=O)(=O)OCCF)C=C1 NO21563 [0,2,0,0,0,0|2,0,0]=4 168 B14R1.941 C=CCOC(=O)C1=CC(F)=C(N)C=C1 NO14795 [0,2,0,0,0,0|0,0,2]=4 169 B14R1.941 CC1=C(N)C=C(C(=O)OCCCl)C=C1 DY798399 [0,2,0,0,0,0|1,0,0]=3 170 B14R1.941 CCCCC(=O)C1=CC(Cl)=C(Cl)C=C1 DY584415 [0,2,0,0,0,0|1,0,0]=3 171 B14R1.941 CCCNC(=O)C1=CC(C)=C(N)C=C1 DY605008 [0,2,0,0,0,0|1,0,0]=3 172 B14R1.918 C=CCOC(=O)C1=C(O)C=CC(I)=C1 DY791709 [0,2,0,0,0,0|0,0,2]=4 173 B14R1.923 CCCOC(=O)C1=CC(O)=NC(C)=C1 DY663899 [0,2,0,0,0,0|1,0,0]=3 174 B14R1.923 O=C(NCCCl)C1=CC(Cl)=CC(Cl)=C1 DY526605 [0,2,0,0,0,0|2,0,0]=4 175 B14R1.38 C=CCCONC(=O)C1=CC=CC=C1 DY110632 [0,2,0,0,0,0|0,0,1]=3 176 B14R1.38 CCCCCCC(=O)C1=NC=CC=C1 DY652731 [0,2,0,0,0,0|2,0,0]=4 177 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 DY21009 [0,2,0,0,0,0|1,0,1]=4 178 B14R1.1035 O=C(NCCCO)C1=C(Cl)N=CC=C1 DY655632 [0,2,0,0,0,0|2,0,0]=4 179 B14R1.417 CC(C)CC(O)C(=O)C1=CC=CC=C1 DY584426 [0,2,0,0,0,0|1,0,0]=3 180 B14R1.3098 O=C(CCC(F)(F)F)C1=CC=CC=C1 DY722143 [0,2,0,0,0,0|2,0,0]=4 181 B12R2.2 C1=CC=C(C2CCCN2)C=C1 DY666606 [1,0,0,1,0,0|1,0,1]=4 182 B12R2.2 C1=CC=C(C2CCCN2)C=C1 NO11140 [1,0,0,1,0,0|1,0,1]=4 183 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 NO17953 [1,0,0,1,0,0|1,0,1]=4 184 B12R2.116 NC1(C2=CC=CC=C2)CCC1 DY531621 [1,0,0,1,0,0|1,0,1]=4 185 B12R2.1081 IC1CCCC2=CC=CC=C21 DY528825 [1,0,0,1,0,0|1,0,1]=4 186 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 NO13980 [1,0,0,1,0,0|1,0,1]=4 187 B12R2.1081 O=C1CCCC2=C1C=CC=N2 NO18351 [1,0,0,1,0,0|1,0,0]=3 188 B12R2.1081 O=C1CCCC2=C1C=CN=C2 NO16479 [1,0,0,1,0,0|1,0,0]=3 189 B12R2.1081 O=C1CCCC2=C1C=NC=C2 NO18873 [1,0,0,1,0,0|1,0,0]=3 190 B12R2.1081 O=C1CCCC2=C1N=CC=C2 NO15049 [1,0,0,1,0,0|1,0,0]=3 191 B12R2.1081 O=C1CCCC2=C1N=CC=N2 DY680102 [1,0,0,1,0,0|2,0,0]=4 192 B12R2.1081 O=C1CCCC2=C1N=CN=C2 DY678447 [1,0,0,1,0,0|2,0,0]=4 193 B12R2.1081 O=C1CCCC2=CC=CC=C12 NO14809 [1,0,0,1,0,0|0,0,0]=2 194 B12R2.1081 O=C1CCNC2=CC=CC=C12 NO15321 [1,0,0,1,0,0|1,0,0]=3 195 B12R2.1081 O=C1CCOC2=CC=CC=C12 NO22800 [1,0,0,1,0,0|1,0,0]=3 196 B12R2.1081 O=C1CNNC2=CC=CC=C12 DY755743 [1,0,0,1,0,0|2,0,0]=4 197 B12R2.1081 O=C1COCC2=NC=CC=C12 DY678513 [1,0,0,1,0,0|2,0,0]=4 198 B12R2.1081 O=C1NCCC2=CC=CC=C12 NO17872 [1,0,0,1,0,0|1,0,0]=3 199 B12R2.1081 O=C1OCCC2=CC=CC=C12 NO12987 [1,0,0,1,0,0|0,0,0]=2 200 B12R2.1081 OB1OCCC2=C1C=CC=C2 DY535881 [1,0,0,1,0,0|1,0,1]=4 201 B12R2.2028 CC1OB(O)C2=C1C=CC=C2 DY450496 [1,0,0,1,0,0|1,0,1]=4 202 B12R2.2028 C[C@H]1NC(=O)C2=CC=CC=C21 DY622323 [1,0,0,1,0,0|1,0,0]=3 203 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 NO22129 [1,0,0,1,0,0|1,0,0]=3 204 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 DY20691 [1,0,0,1,0,0|2,0,0]=4 205 B12R2.2075 OC(C1=CC=CC=C1)C2CC2 DY757399 [1,0,0,1,0,0|0,0,2]=4 206 B12R2.41 C1=CC2=C(C=C1)CNCCC2 NO12567 [1,0,0,1,0,0|1,0,1]=4 207 B12R2.41 C1=CC2=C(C=C1)NCCCC2 NO18041 [1,0,0,1,0,0|2,0,0]=4 208 B12R2.41 C1=CC2=C(C=C1)NCCOC2 DY669332 [1,0,0,1,0,0|1,0,1]=4 209 B12R2.3797 O=C(C1=CC=CO1)N2CCC2 DY719776 [0,0,0,1,1,0|2,0,0]=4 210 B14R2.24 O=C1C=CCCN1C2=CC=CC=C2 DY711637 [0,0,0,1,0,1|1,0,1]=4 211 B14R2.24 O=C1NCCN[C@H]1C2=CC=CC=C2 DY105374 [0,0,0,1,0,1|2,0,0]=4 212 B14R2.517 O=C1NC2=C(C=CC=C2)N1CCBr DY503571 [0,0,0,1,0,1|2,0,0]=4 213 B14R2.517 O=C1NC2=C(C=CC=C2)N1CCO DY564639 [0,0,0,1,0,1|2,0,0]=4 214 B14R2.1019 CCC1=NC2=C(C=CC=C2)C(=O)O1 DY672853 [0,1,0,1,0,0|0,0,1]=3 215 B14R2.1019 COC1=CC2=CC=CC=C2C(=O)O1 DY771471 [0,1,0,1,0,0|1,0,1]=4 216 B14R2.1019 O=C1CC(CO)OC2=CC=CC=C12 DY771225 [0,1,0,1,0,0|2,0,0]=4 217 B14R2.1019 O=C1C[C@H](CO)CC2=CC=CC=C12 DY765653 [0,1,0,1,0,0|2,0,0]=4 218 B14R2.7724 CN1C(=O)OC(=O)C2=CC=CC=C21 DY503283 [0,1,0,1,0,0|1,0,1]=4 219 B14R2.68 O[C@H]1CO[C@@H](C2=CC=CC=C2)OC1 NO11153 [0,1,0,1,0,0|0,0,2]=4 220 B14R2.933 NC1=CN=C(C(=O)NC2CC2)C=C1 DY659420 [0,1,0,1,0,0|2,0,0]=4 221 B14R2.933 O=C(NC1CC1)C2=NC=C(Br)C=C2 DY659756 [0,1,0,1,0,0|2,0,0]=4 222 B14R2.8719 O=C1NCCCC2=C1C=CC(Br)=C2 DY429709 [0,1,0,1,0,0|1,0,0]=3 223 B14R2.685 NC1=CC=CC2=C1CCCCC2=O NO20597 [0,1,0,1,0,0|1,0,0]=3 224 B14R2.685 NC1=CC=CC2=C1NCCNC2=O DY771753 [0,1,0,1,0,0|2,0,0]=4 225 B14R2.5637 O=C1CCCNC2=C1C=C(Cl)C=C2 NO18026 [0,1,0,1,0,0|2,0,0]=4 226 B14R2.5637 O=C1NCCCC2=C1C=C(Br)C=C2 DY535095 [0,1,0,1,0,0|1,0,0]=3 227 B14R2.9036 O=C(NC1CC1)C2=CC(I)=CC=C2 DY758299 [0,1,0,1,0,0|1,0,0]=3 228 B14R2.114 O=C(C1=CC=CC=C1)C2CCNC2 NO15372 [0,1,0,1,0,0|1,0,0]=3 229 B14R2.1131 CCN1C=CC(=O)C2=CC=CC=C21 DY687519 [0,1,0,1,0,0|1,0,1]=4 230 B14R2.1131 CCN1C=NC(=O)C2=CC=CC=C21 DY782692 [0,1,0,1,0,0|1,0,1]=4 231 B14R2.4510 O=C1CCNC(=O)C2=C1C=CC=C2 DY673446 [0,1,0,1,0,0|1,0,1]=4 232 B14R2.5540 C[C@@]1(C2=CC=CC=C2)CNCCO1 DY731935 [0,1,0,1,0,0|1,0,1]=4 233 B14R2.2974 O=CC1(C2=CC=CC=C2)CCCC1 DY686545 [0,1,0,1,0,0|1,0,1]=4 234 B14R2.19587 CCN1C=C(C=O)C2=CC=CC=C21 DY561837 [0,1,0,1,0,0|2,0,0]=4 235 B14R2.25733 CC(C)C1NC(=O)C2=CC=CC=C21 DY708715 [0,1,0,1,0,0|1,0,0]=3 236 B14R2.44 CCCC1=C(C)C2=CC=CC=C2N1 DY731089 [0,1,0,1,0,0|2,0,0]=4 237 B14R2.44 O=C1C2=CC=CC=C2NN1CCO DY761846 [0,1,0,1,0,0|2,0,0]=4 238 B14R2.5495 O=S1(=O)NCCCC2=C1C=CC=C2 DY670571 [0,1,0,1,0,0|2,0,0]=4 239 B14R2.4618 CC1=C(C(=O)N2CC2C)C=CC=C1 DY743977 [0,1,0,1,0,0|1,0,0]=3 240 B10R1.11 CCCC(=O)C1=CC=CS1 DY786724 [1,0,0,0,1,0|1,0,0]=3 241 B10R1.11 CCOC(=O)C1=CC=CO1 DY10319 [1,0,0,0,1,0|1,0,0]=3 242 B10R1.11 CCOC(=O)C1=CC=CS1 NO14077 [1,0,0,0,1,0|1,0,0]=3 243 B10R1.11 CCOC(=O)C1=CN=CO1 NO17742 [1,0,0,0,1,0|2,0,0]=4 244 B10R1.11 CCOC(=O)C1=CN=CS1 NO11320 [1,0,0,0,1,0|2,0,0]=4 245 B10R1.11 CCOC(=O)C1=CNC=N1 NO18895 [1,0,0,0,1,0|2,0,0]=4 246 B10R1.11 CCOC(=O)C1=CNN=C1 DY649403 [1,0,0,0,1,0|2,0,0]=4 247 B10R1.11 CCOC(=O)C1=CNN=C1 NO10111 [1,0,0,0,1,0|2,0,0]=4 248 B10R1.11 CCOC(=O)C1=COC=N1 NO18179 [1,0,0,0,1,0|2,0,0]=4 249 B10R1.11 CCOC(=O)C1=CSC=C1 NO10526 [1,0,0,0,1,0|1,0,0]=3 250 B10R1.11 CCOC(=O)C1=NC=CN1 NO18245 [1,0,0,0,1,0|2,0,0]=4 251 B10R1.11 CCOC(=O)C1=NNC=C1 NO20723 [1,0,0,0,1,0|2,0,0]=4 252 B10R1.11 CNCC(=O)C1=CC=CS1 DY787552 [1,0,0,0,1,0|2,0,0]=4 253 B14R1.156 C=CCOC(=O)COC1=CC=CC=C1 DY461160 [0,0,0,0,0,2|0,0,2]=4 254 B14R1.156 COCNC(=O)OCC1=CC=CC=C1 DY581877 [0,0,0,0,0,2|2,0,0]=4 255 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 NO11001 [0,0,0,0,0,2|2,0,0]=4 256 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 NO13478 [0,0,0,0,0,2|2,0,0]=4 257 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 NO11002 [0,0,0,0,0,2|2,0,0]=4