0 B12R1.252 CC(=O)NCCC1=CC=CC=C1 7112901217 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 N=C(N)NCCC1=CC=CC=C1 8916366 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.252 NC(=O)NCCC1=CC=CC=C1 1779976 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.252 O=C(O)CCCC1=CC=CN=C1 1780062 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.252 O=C(O)CCNC1=CC=CC=C1 1142576 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.252 O=C(O)CCNC1=NC=CC=N1 2140215 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.252 O=C(O)CCOC1=CC=CC=C1 0125160240 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.252 O=C(O)CCSC1=CC=CC=C1 7020661248 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.252 O=C(O)CNCC1=CC=CC=C1 1276806 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.252 O=C(O)CNCC1=CC=CC=C1 3037016 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.252 O=C(O)COCC1=CC=CC=C1 2048919 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.28 BrCCCOC1=CC=CC=C1 7110952516 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 N#CCCNC1=CC=CC=C1 1179089 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 N#CCCOC1=CC=CC=C1 2828791 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 NCCCCC1=CC=CC=C1 1038738 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.28 NCCCCC1=CC=NC=C1 1038737 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 NCCCOC1=CC=CC=C1 0125160288 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 NOCCOC1=CC=CC=C1 1203025 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.28 O=C=NCCC1=CC=CC=C1 1055543 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.28 OCCCNC1=NC=CC=C1 1868003 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.28 OCCNCC1=CC=CC=C1 11774163 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.28 OCCNCC1=CC=CC=C1 7116010885 [1,0,0,0,0,0|1,0,1]=3 22 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=N1 1367727 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.45 CC(=O)CCC(=O)C1=CC=CN=C1 1367728 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.45 CC(=O)CCC(=O)C1=CC=NC=C1 1367729 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 1043510 [0,1,0,0,0,0|0,0,1]=2 26 B13R1.45 O=C(O)CCC(=O)C1=CC=CN=C1 1781557 [0,1,0,0,0,0|1,0,1]=3 27 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 1045437 [0,1,0,0,0,0|1,0,1]=3 28 B13R1.45 O=C(O)CNC(=O)C1=CC=CN=C1 1045468 [0,1,0,0,0,0|2,0,1]=4 29 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 7110952594 [0,1,0,0,0,0|0,0,3]=4 30 B13R1.149 CC1=CC(OCCC(=O)O)=CC=C1 7214942758 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.149 NC1=CC=CC(CCCC(=O)O)=C1 1903602 [0,1,0,0,0,0|0,0,0]=1 32 B13R1.149 O=C(O)CCCC1=CC(Cl)=CC=C1 1506023 [0,1,0,0,0,0|0,0,0]=1 33 B13R1.149 O=C(O)CNCC1=CC=CC(Cl)=C1 1276814 [0,1,0,0,0,0|1,0,0]=2 34 B13R1.158 CC1=C(CCCC(=O)O)C=CC=C1 1505993 [0,1,0,0,0,0|0,0,0]=1 35 B13R1.158 NC(=O)CCCC1=CC=CC=C1Cl 6641981 [0,1,0,0,0,0|1,0,0]=2 36 B13R1.158 O=C(O)CCCC1=C(Cl)C=CC=C1 1506022 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 1506001 [0,1,0,0,0,0|0,0,0]=1 38 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl 7020671251 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 2848234 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.351 O=C(O)C(=O)\C=C\C1=CC=CC=C1 2049032 [0,1,0,0,0,0|0,0,3]=4 41 B13R1.513 CC1=CC=C(CCCC(=O)Cl)C=C1 1043411 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 1043351 [0,1,0,0,0,0|0,0,0]=1 43 B13R1.513 CC1=CC=C(OCCC(=O)O)C=C1 7214942759 [0,1,0,0,0,0|1,0,0]=2 44 B13R1.513 O=C(Cl)CCCC1=CC=C(F)C=C1 1043418 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 1043359 [0,1,0,0,0,0|0,0,0]=1 46 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 1043358 [0,1,0,0,0,0|0,0,0]=1 47 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 7216050527 [0,1,0,0,0,0|1,0,0]=2 48 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 7020671590 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.513 O=C(O)CCSC1=CC=C(Cl)C=C1 7020661332 [0,1,0,0,0,0|1,0,0]=2 50 B13R1.718 COC(=O)CCNC1=CC=CC=C1 1568339 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.718 COC(=O)CNCC1=CC=CC=C1 22430275 [0,1,0,0,0,0|1,0,0]=2 52 B13R1.718 COC(=O)CNCC1=CC=CC=C1 2849127 [0,1,0,0,0,0|1,0,0]=2 53 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 0110830391 [0,1,0,0,0,0|2,0,0]=3 54 B13R1.718 OC(CCl)CNCC1=CC=CC=C1 3685346 [0,1,0,0,0,0|2,0,1]=4 55 B13R1.3523 O=S(=O)(Cl)CCCC1=CC=CC=C1 7020431084 [0,1,0,0,0,0|1,0,1]=3 56 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 971809 [0,0,0,1,0,0|2,0,0]=3 57 B13R2.10 OC1CCN(C2=CC=CC=C2)C1 4813528 [0,0,0,1,0,0|2,0,1]=4 58 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 5005421 [0,0,0,1,0,0|2,0,1]=4 59 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 1156712 [0,0,0,1,0,0|2,0,0]=3 60 B13R2.72 O=C(O)C1=C2C=CC=CC2=NS1 3356389 [0,0,0,1,0,0|2,0,1]=4 61 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 1572802 [0,0,0,1,0,0|2,0,1]=4 62 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 7577009 [0,0,0,1,0,0|0,0,0]=1 63 B13R2.163 O=C1CCCC2=CC=CC=C2N1 1392632 [0,0,0,1,0,0|1,0,0]=2 64 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 1367091 [0,0,0,1,0,0|0,0,0]=1 65 B11R1.91 C=C(C)COC1=CC=CC=C1 5914055 [0,0,0,0,1,0|3,0,0]=4 66 B11R1.91 CC(=O)CCC1=CC=CC=C1 1043589 [0,0,0,0,1,0|1,0,0]=2 67 B11R1.91 CC(=O)NCC1=CC=CC=N1 3851354 [0,0,0,0,1,0|3,0,0]=4 68 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 2129779 [0,0,0,0,1,0|1,0,2]=4 69 B11R1.91 N=C(N)SCC1=CC=CC=C1 4434567 [0,0,0,0,1,0|3,0,0]=4 70 B11R1.91 NC(=O)COC1=CC=CC=C1 1375246 [0,0,0,0,1,0|2,0,0]=3 71 B11R1.91 NC(=O)CSC1=CC=CC=C1 1375325 [0,0,0,0,1,0|2,0,0]=3 72 B11R1.91 NC(=O)NCC1=CC=CC=C1 1779235 [0,0,0,0,1,0|2,0,0]=3 73 B11R1.91 NC(=O)OCC1=CC=CC=C1 2829213 [0,0,0,0,1,0|2,0,0]=3 74 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 5009290 [0,0,0,0,1,0|1,0,2]=4 75 B11R1.91 NC(=S)COC1=CC=CC=C1 7020331590 [0,0,0,0,1,0|2,1,0]=4 76 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 1051731 [0,0,0,0,1,0|1,0,0]=2 77 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 4787343 [0,0,0,0,1,0|1,0,2]=4 78 B11R1.91 O=C(O)CCC1=CC=CC=C1 7020400414 [0,0,0,0,1,0|0,0,0]=1 79 B11R1.91 O=C(O)CCC1=CC=CC=N1 1499995 [0,0,0,0,1,0|1,0,0]=2 80 B11R1.91 O=C(O)CCC1=CN=CN=C1 4056519 [0,0,0,0,1,0|2,0,0]=3 81 B11R1.91 O=C(O)CNC1=CC=CC=C1 1142601 [0,0,0,0,1,0|1,0,0]=2 82 B11R1.91 O=C(O)CNC1=CC=CN=C1 3355230 [0,0,0,0,1,0|2,0,0]=3 83 B11R1.91 O=C(O)CNC1=NC=CC=N1 2140105 [0,0,0,0,1,0|3,0,0]=4 84 B11R1.91 O=C(O)COC1=CC=CC=C1 7113231893 [0,0,0,0,1,0|1,0,0]=2 85 B11R1.91 O=C(O)CSC1=CC=CC=C1 7110950354 [0,0,0,0,1,0|1,0,0]=2 86 B11R1.91 O=C(O)CSC1=CC=CC=N1 1500183 [0,0,0,0,1,0|2,0,0]=3 87 B11R1.91 O=C(O)CSC1=NC=NC=C1 2289397 [0,0,0,0,1,0|3,0,0]=4 88 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 7020400360 [0,0,0,0,1,0|0,0,2]=3 89 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 1314146 [0,0,0,0,1,0|1,0,2]=4 90 B11R1.172 O=C(O)CCCN1C=CC=N1 2345795 [0,0,0,0,1,0|2,0,0]=3 91 B13R1.337 NC(=O)NOCCC1=CC=CC=C1 7120000001 [0,0,0,0,0,1|2,0,0]=3 92 B13R1.337 O=C(O)CCCC[N+]1=CC=CC=C1 1264872 [0,0,0,0,0,1|1,0,0]=2 93 B13R1.337 O=C(O)CCCNC1=NC=CC=N1 2140301 [0,0,0,0,0,1|2,0,0]=3 94 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 0109160009 [0,0,0,0,0,1|0,0,0]=1 95 B10R1.17 BrCCCC1=CC=CC=C1 1275152 [2,0,0,0,0,0|1,0,0]=3 96 B10R1.17 BrCCOC1=CC=CC=C1 7110952510 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.17 CCCCC1=CC=CC=C1 2827024 [2,0,0,0,0,0|0,0,1]=3 98 B10R1.17 CCNCC1=CC=CC=C1 1366645 [2,0,0,0,0,0|1,0,1]=4 99 B10R1.17 N#CCCC1=CC=CC=C1 1512383 [2,0,0,0,0,0|1,0,1]=4 100 B10R1.17 NCCCC1=CC=CN=C1 1038705 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.17 NCCOC1=CC=CC=C1 7020330514 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.17 NCCSC1=CC=CC=C1 6137840 [2,0,0,0,0,0|2,0,0]=4 103 B10R1.17 NNCCC1=CC=CC=C1 9080668 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.17 O=C=NCC1=CC=CC=C1 1055530 [2,0,0,0,0,0|1,0,1]=4 105 B10R1.17 O=CCCC1=CC=CC=C1 1191525 [2,0,0,0,0,0|0,0,0]=2 106 B10R1.17 O=C\C=C\C1=CC=CC=C1 1778825 [2,0,0,0,0,0|0,0,2]=4 107 B10R1.17 OCCNC1=CC=CC=C1 1866520 [2,0,0,0,0,0|1,0,0]=3 108 B10R1.17 OCCOC1=CC=CC=C1 1275759 [2,0,0,0,0,0|1,0,0]=3 109 B10R1.17 SCCOC1=CC=CC=C1 1310591 [2,0,0,0,0,0|1,1,0]=4 110 B12R1.1 CC1=CC=C(CCCCN)C=C1 1038741 [1,1,0,0,0,0|1,0,1]=4 111 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 1038750 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.1 NCCCCC1=CC=C(F)C=C1 1038743 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.1 O=CCCCC1=CC=C(F)C=C1 1203994 [1,1,0,0,0,0|0,0,0]=2 114 B12R1.1 OCCCCC1=CC=C(Br)C=C1 1203977 [1,1,0,0,0,0|0,0,1]=3 115 B12R1.8 BrCCCCOC1=CC=CC=C1 3328924 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.8 CCCCCCC1=CC=CC=C1 2832668 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.28 NCCCCC1=CC(Cl)=CC=C1 1038749 [1,1,0,0,0,0|1,0,1]=4 118 B12R1.267 CC1=C(CCCCN)C=CC=C1 1038739 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.267 N#CCCCC1=C(F)C=CC=C1 5963366 [1,1,0,0,0,0|1,0,1]=4 120 B12R1.267 NCCCCC1=C(Cl)C=CC=C1 1038748 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.267 NCCCCC1=C(Cl)C=CC=C1 7571173 [1,1,0,0,0,0|1,0,1]=4 122 B12R1.267 NCCCCC1=C(F)C=CC=C1 1038742 [1,1,0,0,0,0|1,0,1]=4 123 B12R1.21 CC(=O)CCC1=CC=C(Br)C=C1 1043599 [0,1,0,0,1,0|1,0,0]=3 124 B12R1.21 CC(=O)COC1=CC=C(Br)C=C1 2125323 [0,1,0,0,1,0|2,0,0]=4 125 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 2125330 [0,1,0,0,1,0|2,0,0]=4 126 B12R1.21 CC1=CC=C(CCC(=O)Cl)C=C1 1375493 [0,1,0,0,1,0|1,0,0]=3 127 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 7018760318 [0,1,0,0,1,0|0,0,0]=2 128 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 1375537 [0,1,0,0,1,0|2,0,0]=4 129 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 0123400643 [0,1,0,0,1,0|1,0,0]=3 130 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 7013891387 [0,1,0,0,1,0|0,0,2]=4 131 B12R1.21 CC1=CC=[N+](CCC(=O)O)C=C1 1264870 [0,1,0,0,1,0|1,0,0]=3 132 B12R1.21 NC(=O)CSC1=CC=C(Cl)C=C1 1375972 [0,1,0,0,1,0|2,0,0]=4 133 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 1509953 [0,1,0,0,1,0|0,0,0]=2 134 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 6923424 [0,1,0,0,1,0|1,0,0]=3 135 B12R1.21 O=C(Cl)COC1=CC=C(Cl)C=C1 1051733 [0,1,0,0,1,0|2,0,0]=4 136 B12R1.21 O=C(O)C#CC1=CC=C(Br)C=C1 1373702 [0,1,0,0,1,0|0,0,2]=4 137 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 1368115 [0,1,0,0,1,0|0,0,2]=4 138 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 1367191 [0,1,0,0,1,0|0,0,2]=4 139 B12R1.21 O=C(O)C#CC1=CC=C(O)C=C1 7849251 [0,1,0,0,1,0|0,0,2]=4 140 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 7018930011 [0,1,0,0,1,0|0,0,0]=2 141 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 7020400396 [0,1,0,0,1,0|0,0,0]=2 142 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 0110520182 [0,1,0,0,1,0|0,0,0]=2 143 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 7020350504 [0,1,0,0,1,0|1,0,0]=3 144 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 7119850499 [0,1,0,0,1,0|1,0,0]=3 145 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 7020661302 [0,1,0,0,1,0|1,0,0]=3 146 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 7016233986 [0,1,0,0,1,0|1,0,0]=3 147 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 1512693 [0,1,0,0,1,0|0,0,2]=4 148 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 0125160273 [0,1,0,0,1,0|0,0,2]=4 149 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 0103940052 [0,1,0,0,1,0|0,0,2]=4 150 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 11185334 [0,1,0,0,1,0|1,0,0]=3 151 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O 1048435 [0,1,0,0,1,0|0,0,0]=2 152 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 7119571874 [0,1,0,0,1,0|1,0,0]=3 153 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 1048342 [0,1,0,0,1,0|0,0,2]=4 154 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 6849730 [0,1,0,0,1,0|1,0,0]=3 155 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 1780058 [0,1,0,0,1,0|0,0,0]=2 156 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 1902541 [0,1,0,0,1,0|1,0,1]=4 157 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 1042017 [0,1,0,0,1,0|0,0,0]=2 158 B12R1.107 CC(NC(N)=O)C1=CC=CC=C1 1779974 [0,1,0,0,1,0|2,0,0]=4 159 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 1041772 [0,1,0,0,1,0|0,0,2]=4 160 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 5110070076 [0,1,0,0,1,0|0,0,0]=2 161 B12R1.125 CC(=O)COC1=C(Br)C=CC=C1 1655092 [0,1,0,0,1,0|2,0,0]=4 162 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 1512405 [0,1,0,0,1,0|0,0,0]=2 163 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 0125160286 [0,1,0,0,1,0|1,0,0]=3 164 B12R1.125 CC1=C(OCC(N)=O)C=CC=C1 7113225356 [0,1,0,0,1,0|2,0,0]=4 165 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 1512399 [0,1,0,0,1,0|0,0,2]=4 166 B12R1.125 CC1=CC=CC=C1NCC(=O)O 7020380021 [0,1,0,0,1,0|1,0,0]=3 167 B12R1.125 O=C(Cl)COC1=C(Cl)C=CC=C1 1376061 [0,1,0,0,1,0|2,0,0]=4 168 B12R1.125 O=C(O)CCC1=CC=CC=C1Br 1512707 [0,1,0,0,1,0|0,0,0]=2 169 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl 7020400402 [0,1,0,0,1,0|0,0,0]=2 170 B12R1.125 O=C(O)CCC1=CC=CC=C1F 7020400397 [0,1,0,0,1,0|0,0,0]=2 171 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 0107930010 [0,1,0,0,1,0|1,0,0]=3 172 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 0125160239 [0,1,0,0,1,0|0,0,2]=4 173 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F 7020400348 [0,1,0,0,1,0|0,0,2]=4 174 B12R1.226 CC(=O)CCC1=CC(Cl)=CC=C1 1974704 [0,1,0,0,1,0|1,0,0]=3 175 B12R1.226 CC(=O)COC1=CC=CC(Br)=C1 1655091 [0,1,0,0,1,0|2,0,0]=4 176 B12R1.226 NC1=CC(\C=C\C(=O)O)=CC=C1 0125160265 [0,1,0,0,1,0|0,0,2]=4 177 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 2084084 [0,1,0,0,1,0|0,0,0]=2 178 B12R1.226 O=C(O)C#CC1=CC(Br)=CC=C1 5830824 [0,1,0,0,1,0|0,0,2]=4 179 B12R1.226 O=C(O)C#CC1=CC(Cl)=CC=C1 5814022 [0,1,0,0,1,0|0,0,2]=4 180 B12R1.226 O=C(O)C#CC1=CC(O)=CC=C1 7849238 [0,1,0,0,1,0|0,0,2]=4 181 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 7020400394 [0,1,0,0,1,0|0,0,0]=2 182 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 1310637 [0,1,0,0,1,0|0,0,0]=2 183 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 7020400392 [0,1,0,0,1,0|0,0,0]=2 184 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 7210540021 [0,1,0,0,1,0|1,0,0]=3 185 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 7017655176 [0,1,0,0,1,0|0,0,2]=4 186 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 1512411 [0,1,0,0,1,0|0,0,2]=4 187 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 7020431083 [0,1,0,0,1,0|1,0,1]=4 188 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 1043509 [0,1,0,0,1,0|1,0,1]=4 189 B12R1.130 CC1=NC=CN1CCCC(=O)O 2345794 [0,1,0,0,1,0|2,0,0]=4 190 B12R1.260 CN(CC(=O)O)CC1=CC=CS1 1368384 [0,1,0,0,1,0|2,0,0]=4 191 B12R1.264 CC(CCC1=CC=CS1)C(=O)O 1782376 [0,1,0,0,1,0|1,0,0]=3 192 B14R1.148 CC1=CC(OCCCC(=O)O)=CC=C1 7211740038 [0,1,0,0,0,1|0,0,0]=2 193 B14R1.159 CC1=C(OCCCC(=O)O)C=CC=C1 7211740002 [0,1,0,0,0,1|0,0,0]=2 194 B14R1.159 O=C(O)CCCOC1=C(Br)C=CC=C1 7020663765 [0,1,0,0,0,1|0,0,0]=2 195 B14R1.159 O=C(O)CCCOC1=C(Cl)C=CC=C1 7020401723 [0,1,0,0,0,1|0,0,0]=2 196 B14R1.159 O=C(O)CCCOC1=C(F)C=CC=C1 2858442 [0,1,0,0,0,1|0,0,0]=2 197 B14R1.159 O=C(O)CCCSC1=C(Br)C=CC=C1 7020675922 [0,1,0,0,0,1|0,0,0]=2 198 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 1043529 [0,1,0,0,0,1|0,0,0]=2 199 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 0127443114 [0,1,0,0,0,1|0,0,1]=3 200 B14R1.423 O=C(O)CNC(=O)NC1=CC=CC=C1 1122075 [0,1,0,0,0,1|1,0,1]=4 201 B14R1.677 CC1=CC=C(OCCCC(=O)O)C=C1 7012702644 [0,1,0,0,0,1|0,0,0]=2 202 B14R1.677 CC1=CC=C(SCCCC(=O)O)C=C1 1584199 [0,1,0,0,0,1|0,0,0]=2 203 B14R1.677 CC1=CC=[N+](CCCCC(=O)O)C=C1 7018970001 [0,1,0,0,0,1|1,0,0]=3 204 B14R1.677 O=C(Cl)CCCCC1=CC=C(F)C=C1 1043498 [0,1,0,0,0,1|1,0,0]=3 205 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 1043478 [0,1,0,0,0,1|0,0,0]=2 206 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 7020401725 [0,1,0,0,0,1|0,0,0]=2 207 B14R1.677 O=C(O)CCCSC1=CC=C(Cl)C=C1 7020662838 [0,1,0,0,0,1|0,0,0]=2 208 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 3460191 [0,1,0,0,0,1|0,0,0]=2 209 B14R1.716 COC(=O)CCNCC1=NC=CC=C1 2959404 [0,1,0,0,0,1|1,0,0]=3 210 B14R1.716 O=C(CCl)OCCOC1=CC=CC=C1 3585838 [0,1,0,0,0,1|2,0,0]=4 211 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 2957297 [0,1,0,0,0,1|1,0,1]=4 212 B14R1.818 O=C(O)CC(=O)CCC1=CC=CC=C1 1784003 [0,1,0,0,0,1|0,0,0]=2 213 B14R1.6449 NC(CSCC1=CC=CC=C1)C(=O)O 1791034 [0,1,0,0,0,1|0,0,0]=2 214 B14R1.149 NC1=CC=CC(C(=O)CCC(=O)O)=C1 1905144 [0,2,0,0,0,0|0,0,1]=3 215 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(Cl)=C1 1506036 [0,2,0,0,0,0|0,0,1]=3 216 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(O)=C1 1901304 [0,2,0,0,0,0|0,0,1]=3 217 B14R1.149 O=C(O)CNC(=O)C1=CC(F)=CC=C1 1045442 [0,2,0,0,0,0|1,0,1]=4 218 B14R1.160 CC1=C(C(=O)CCC(=O)O)C=CC=C1 1506005 [0,2,0,0,0,0|0,0,1]=3 219 B14R1.160 O=C(O)CCC(=O)C1=C(F)C=CC=C1 1506016 [0,2,0,0,0,0|0,0,1]=3 220 B14R1.160 O=C(O)CCC(=O)C1=CC=CC=C1Cl 1506035 [0,2,0,0,0,0|0,0,1]=3 221 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 1904967 [0,2,0,0,0,0|0,0,1]=3 222 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 7013010906 [0,2,0,0,0,0|0,0,1]=3 223 B14R1.678 NC(CCC(=O)O)C1=CC=C(F)C=C1 2049577 [0,2,0,0,0,0|0,0,0]=2 224 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 1375749 [0,2,0,0,0,0|1,0,1]=4 225 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 1043519 [0,2,0,0,0,0|0,0,1]=3 226 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 1043518 [0,2,0,0,0,0|0,0,1]=3 227 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 1043517 [0,2,0,0,0,0|0,0,1]=3 228 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Cl)C=C1 7210742318 [0,2,0,0,0,0|1,0,1]=4 229 B14R1.813 CC(C)(CCC(=O)O)C1=CC=CC=C1 1043390 [0,2,0,0,0,0|0,0,0]=2 230 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 0112820087 [0,2,0,0,0,0|1,0,0]=3 231 B14R1.813 O=C(O)CNS(=O)(=O)C1=CC=CC=C1 0117380193 [0,2,0,0,0,0|2,0,0]=4 232 B14R1.76 COC1=CC=CC(CCCC(=O)O)=C1 1506015 [0,2,0,0,0,0|0,0,0]=2 233 B14R1.687 CC1=CC(CCCC(=O)O)=CC=C1F 1043362 [0,2,0,0,0,0|0,0,0]=2 234 B14R1.687 CC1=CC=C(CCCC(=O)O)C=C1Br 3548050 [0,2,0,0,0,0|0,0,0]=2 235 B14R1.687 CC1=CC=C(CCCC(=O)O)C=C1C 1043355 [0,2,0,0,0,0|0,0,0]=2 236 B14R1.4250 CC1=CC(C)=CC(CCCC(=O)O)=C1 3518455 [0,2,0,0,0,0|0,0,0]=2 237 B14R1.6072 CC1=CC(CCCC(=O)O)=C(C)C=C1 1043356 [0,2,0,0,0,0|0,0,0]=2 238 B14R1.96 COC1=C(CCCC(=O)O)C=CC=C1 1506014 [0,2,0,0,0,0|0,0,0]=2 239 B14R1.96 COC1=C(NCCC(=O)O)C=CC=C1 1142587 [0,2,0,0,0,0|1,0,0]=3 240 B14R1.96 COC1=C(\C=C\CC(=O)O)C=CC=C1 3518411 [0,2,0,0,0,0|0,0,2]=4 241 B14R1.4464 CC1=CC(C)=C(CCCC(=O)O)C=C1 1500793 [0,2,0,0,0,0|0,0,0]=2 242 B14R1.756 COC(=O)C(C)NCC1=CC=CC=C1 7135513 [0,2,0,0,0,0|1,0,0]=3 243 B14R1.4194 O=C(O)C(CO)NCC1=CC=CC=C1 3651922 [0,2,0,0,0,0|1,0,0]=3 244 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 7215640005 [0,2,0,0,0,0|1,0,0]=3 245 B14R1.4 COC1=CC=C(\C=C\CC(=O)O)C=C1 3518406 [0,2,0,0,0,0|0,0,2]=4 246 B14R1.4 N#CC1=CC=C(CSCC(=O)O)C=C1 2115995 [0,2,0,0,0,0|1,0,0]=3 247 B14R1.13 O=C(CCl)NCCC1=CC=C(F)C=C1 1890557 [0,2,0,0,0,0|2,0,0]=4 248 B14R1.292 O=S(=O)(CCCC1=CC=CC=C1)O[Na] 22430476 [0,2,0,0,0,0|1,0,0]=3 249 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 1864119 [0,2,0,0,0,0|1,0,0]=3 250 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 2852467 [0,2,0,0,0,0|1,0,0]=3 251 B12R1.81 O=CC1=CC=CN1CCC(=O)O 1322437 [0,0,1,1,0,0|2,0,0]=4 252 B12R1.255 O=C(O)CCCCC1=CC=CS1 1043469 [0,0,1,1,0,0|1,0,1]=4 253 B12R2.2 C1=CC=C(C2CCCN2)C=C1 1187958 [1,0,0,1,0,0|1,0,1]=4 254 B12R2.27 NCC1CC1C2=CC=CC=C2 1779160 [1,0,0,1,0,0|1,0,1]=4 255 B12R2.41 C1=CC2=C(C=C1)OCCCO2 7020410055 [1,0,0,1,0,0|1,0,1]=4 256 B12R2.1081 NC1CCCC2=CC=CC=C21 5011931 [1,0,0,1,0,0|1,0,1]=4 257 B12R2.1081 O=C1CCCC2=C1C=CC=C2 1202501 [1,0,0,1,0,0|0,0,0]=2 258 B12R2.1081 O=C1CCNC2=CC=CC=C12 1366766 [1,0,0,1,0,0|1,0,0]=3 259 B12R2.1081 O=C1CCOC2=CC=CC=C12 1392616 [1,0,0,1,0,0|1,0,0]=3 260 B12R2.1081 OC1CCNC2=CC=CC=C21 3508271 [1,0,0,1,0,0|1,0,1]=4 261 B12R2.1081 OC1CCOC2=CC=CC=C21 1298907 [1,0,0,1,0,0|1,0,1]=4 262 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 2829085 [1,0,0,1,0,0|1,0,1]=4 263 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 2828560 [0,0,0,1,1,0|0,0,2]=4 264 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 2819843 [0,0,0,1,1,0|0,0,0]=2 265 B12R2.24 O=C1CCC2=CC=CC=C2N1 1655132 [0,0,0,1,1,0|1,0,0]=3 266 B12R2.24 O=C1CNC2=CC=CC=C2N1 0111910003 [0,0,0,1,1,0|2,0,0]=4 267 B12R2.24 O=C1COC2=CC=CC=C2N1 7020041238 [0,0,0,1,1,0|2,0,0]=4 268 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 7119930006 [0,0,0,1,1,0|2,0,0]=4 269 B14R2.2 O=C(O)CC1CNC2=CC=CC=C21 1367724 [0,0,0,1,0,1|0,0,0]=2 270 B14R2.2 O=C(O)CN1C=CC2=CC=CC=C21 1199277 [0,0,0,1,0,1|0,0,2]=4 271 B14R2.2 O=C(O)CN1C=NC2=CC=CC=C21 7119910029 [0,0,0,1,0,1|1,0,1]=4 272 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 2847625 [0,0,0,1,0,1|1,0,0]=3 273 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 3507226 [0,0,0,1,0,1|1,0,0]=3 274 B14R2.21 CC1CNCC(C2=CC=CC=C2)O1 1367748 [0,0,0,1,0,1|1,0,1]=4 275 B14R2.21 OC1CCNC(C2=CC=CC=C2)C1 1781207 [0,0,0,1,0,1|1,0,1]=4 276 B14R2.31359 CC(=O)N1CCCC2=C1C=CC=C2 7113220802 [0,0,0,1,0,1|1,0,0]=3 277 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 1655164 [0,1,0,1,0,0|1,0,1]=4 278 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 1974159 [0,1,0,1,0,0|0,0,1]=3 279 B14R2.25733 O=C1OC(C(=O)O)C2=C1C=CC=C2 3676645 [0,1,0,1,0,0|1,0,1]=4 280 B14R2.22 O=C1NCC(C2=CC(Cl)=CC=C2)O1 1785726 [0,1,0,1,0,0|1,0,0]=3 281 B14R2.300 CC(=O)N1CCC2=CC(Br)=CC=C21 2630931 [0,1,0,1,0,0|2,0,0]=4 282 B14R2.300 CC(=O)N1CCC2=CC(N)=CC=C21 1127725 [0,1,0,1,0,0|2,0,0]=4 283 B14R2.8053 CC(=O)N1CCC2=CC=CC(N)=C21 4044058 [0,1,0,1,0,0|2,0,0]=4 284 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 1149690 [0,1,0,1,0,0|0,0,2]=4 285 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 1178789 [0,1,0,1,0,0|0,0,2]=4 286 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 7118560794 [0,1,0,1,0,0|1,0,1]=4 287 B14R2.781 CC(=O)N1CCC2=C(C=CC=C2)C1 7112893478 [0,1,0,1,0,0|2,0,0]=4 288 B14R2.781 NC(=O)C1COC2=CC=CC=C2O1 0103080016 [0,1,0,1,0,0|2,0,0]=4 289 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)OC1 1156697 [0,1,0,1,0,0|1,0,1]=4 290 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)C1 2215012 [0,1,0,1,0,0|1,0,0]=3 291 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2Cl 1179615 [0,1,0,1,0,0|0,0,0]=2 292 B14R2.738 CC1CC(=O)NC2=C(C=CC=C2)N1 1056568 [0,1,0,1,0,0|2,0,0]=4 293 B14R2.786 NC1(C(=O)O)CC1C2=CC=CC=C2 4679335 [0,1,0,1,0,0|0,0,0]=2 294 B14R2.20 O=C1NCC(C2=CC=C(Br)C=C2)O1 1808590 [0,1,0,1,0,0|1,0,0]=3 295 B14R2.20 O=C1NCC(C2=CC=C(Cl)C=C2)O1 1785727 [0,1,0,1,0,0|1,0,0]=3 296 B14R2.380 O=C1CCCC2=CC=C(Cl)C=C2N1 2049533 [0,1,0,1,0,0|1,0,0]=3 297 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 1179687 [0,1,0,1,0,0|0,0,0]=2 298 B14R2.5816 CC(=O)N1CCC2=CC=C(N)C=C21 1032203 [0,1,0,1,0,0|2,0,0]=4 299 B14R2.95 NCC(=O)N1CCC2=C1C=CC=C2 7020691554 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.18 CC(=O)NC1=CC=CC=C1 0118671148 [0,0,0,0,2,0|2,0,0]=4 301 B10R1.18 CC(=O)OC1=CC=CC=C1 5970182 [0,0,0,0,2,0|2,0,0]=4 302 B10R1.18 NC(=O)NC1=CC=CC=C1 1778870 [0,0,0,0,2,0|2,0,0]=4 303 B10R1.18 NC(=S)CC1=CC=CC=C1 7018890438 [0,0,0,0,2,0|1,1,0]=4 304 B10R1.18 O=C(Cl)CC1=CC=CC=C1 1051728 [0,0,0,0,2,0|1,0,0]=3 305 B10R1.18 O=C(O)CC1=CC=CC=C1 1500423 [0,0,0,0,2,0|0,0,0]=2 306 B10R1.66 O=C(O)CCC1=CC=CN1 4668011 [0,0,0,0,2,0|1,0,0]=3 307 B10R1.66 O=C(O)CCC1=CC=CO1 7118560814 [0,0,0,0,2,0|1,0,0]=3 308 B10R1.66 O=C(O)CCC1=CC=CS1 7020400395 [0,0,0,0,2,0|1,0,0]=3 309 B10R1.66 O=C(O)CCN1C=CC=C1 2265191 [0,0,0,0,2,0|1,0,0]=3