0 B11R1.172 CC(=O)NCCC1=CC=CS1 Z29191379 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.172 CC(=O)NCCC1=CSC=N1 Z1171564162 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.172 CC(=O)NCCC1=NC=CN1 Z1171622390 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.172 NC(=O)CSCC1=CN=CS1 Z2589333503 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.172 NC(=O)NCCC1=CC=CS1 Z90123296 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.172 NC(=S)NCCC1=CC=CS1 Z211318972 [0,0,0,0,0,0|2,1,0]=3 6 B11R1.172 O=C(O)CCCC1=CC=CS1 Z56951195 [0,0,0,0,0,0|0,0,0]=0 7 B11R1.172 O=C(O)CCCC1=CNN=N1 Z1262553644 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.172 O=C(O)CCCC1=NC=CO1 Z1262554930 [0,0,0,0,0,0|1,1,0]=2 9 B11R1.172 O=C(O)CCCN1C=CC=C1 Z245326710 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.172 O=C(O)CCCN1C=CC=N1 Z285049638 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.172 O=C(O)CCCN1C=CN=C1 Z285049642 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.172 O=C(O)CCCN1C=NC=N1 Z285049640 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.172 O=C(O)CCNC1=NC=CS1 Z295404866 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.172 O=C(O)COCC1=NNC=N1 Z805529564 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.172 O=C(O)CSCC1=CC=CS1 Z57983103 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.172 O=C(O)CSCC1=CSC=C1 Z107334134 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.172 O=C(O)CSCC1=CSC=N1 Z149152078 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.172 O=C(O)CSCC1=NC=CN1 Z1162907897 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.172 O=C([O-])CCCC1=NC=CS1 Z2010010280 [0,0,0,0,0,0|1,0,1]=2 20 B11R1.172 O=C([O-])COCC1=CC=CO1 Z818727290 [0,0,0,0,0,0|1,1,1]=3 21 B10R1.21 C=CCNCC1=CC=CS1 Z85934854 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.21 CCNCCC1=CC=CS1 Z162417018 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.21 NCCCCC1=NC=CS1 Z1263529637 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.21 OCCCCC1=NC=CS1 Z1346130460 [1,0,0,0,0,0|1,0,1]=3 25 B12R1.54 CC(=O)NCC(O)C1=CN=CS1 Z3365488397 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.54 CC(SCC(=O)N)C1=CC=CS1 Z1238962085 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.54 O=C(O)CCC(=O)C1=CC=CN1 Z1262513633 [0,1,0,0,0,0|1,0,1]=3 28 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 Z56857914 [0,1,0,0,0,0|0,0,1]=2 29 B12R1.54 O=C(O)CNC(=O)C1=CC=CS1 Z56886259 [0,1,0,0,0,0|1,0,1]=3 30 B12R1.105 CC(=O)NCCC1=CC=C(S1)I Z1037932146 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.105 CC1=CC(=NO1)COCC(=O)O Z1198234717 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.105 CC1=CC(=NO1)CSCC(=O)O Z89669792 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.105 CC1=CC=C(S1)CCCC(=O)O Z336285944 [0,1,0,0,0,0|0,0,0]=1 34 B12R1.105 CC1=CN(N=C1)CCCC(=O)O Z4878607110 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.105 CC1=CN=C(O1)CCCC(=O)O Z1416179608 [0,1,0,0,0,0|1,1,0]=3 36 B12R1.105 CC1=CSC(=N1)CCCC(=O)[O-] Z2009850055 [0,1,0,0,0,0|1,0,1]=3 37 B12R1.105 CC1=CSC(=N1)CCNC(=O)N Z432832222 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.105 CC1=CSC(=N1)SCCC(=O)N Z103173868 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.105 CC1=NC(=CS1)CCCC(=O)O Z1342859238 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.105 CC1=NC(=CS1)COCC(=O)O Z3024198885 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.105 CC1=NC(=CS1)CSCC(=O)O Z119974122 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.105 CC1=NC=C(S1)COCC(=O)O Z3023573147 [0,1,0,0,0,0|2,0,0]=3 43 B12R1.105 CC1=NN=C(S1)COCC(=O)O Z1255449602 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.105 CC1=NOC(=C1)CCCC(=O)O Z1416193256 [0,1,0,0,0,0|1,1,0]=3 45 B12R1.105 CC1=NOC(=C1)COCC(=O)O Z1198234718 [0,1,0,0,0,0|2,1,0]=4 46 B12R1.105 CC1=NOC(=N1)CCCC(=O)O Z367679728 [0,1,0,0,0,0|2,1,0]=4 47 B12R1.105 NC1=NC(=CS1)CCCC(=O)O Z1262529862 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.105 NC1=NC(=CS1)CSCC(=O)O Z385405012 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.105 NC1=NN=C(S1)CCCC(=O)O Z1251359407 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.105 O=C(O)CCCN1C=C(C=N1)Br Z729840314 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.105 O=C(O)CCSC1=NN=C(S1)S Z56968798 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.105 O=C(O)CNCC1=CC=C(O1)Cl Z424739068 [0,1,0,0,0,0|1,1,0]=3 53 B12R1.105 O=C(O)CNCC1=CC=C(S1)Cl Z1346385334 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.105 O=C(O)CSCC1=CC=C(S1)Cl Z19691259 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.130 CC1=C(SC=C1)CCCC(=O)O Z837065188 [0,1,0,0,0,0|0,0,0]=1 56 B12R1.130 CC1=C(SC=C1)CNCC(=O)O Z381025964 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.130 CC1=C(SC=N1)COCC(=O)O Z1255438393 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.130 CC1=NC=CN1CCCC(=O)O Z285049632 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.130 CN1C=CN=C1COCC(=O)O Z1198184175 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.130 CN1C=CN=C1SCCC(=O)O Z102921792 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.130 CN1C=NN=C1CCCC(=O)O Z995118110 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.130 CN1N=CC=C1COCC(=O)O Z1198234728 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.260 C=C(Cl)CN(C)CC1=CC=CS1 Z144060744 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.260 O=C(O)CC(=O)NC1=NC=CS1 Z381556300 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.264 CC(OCC1=CN=CS1)C(=O)O Z1714302130 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.264 NC(CCC1=CNN=C1)C(=O)O Z3486116939 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.264 O=C(O)C(=O)/C=C/C1=CC=CS1 Z104378004 [0,1,0,0,0,0|0,0,3]=4 68 B12R1.477 C=CC(=O)NCCC1=CC=CS1 Z440633694 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.477 C=CC(=O)NCCC1=CC=NS1 Z2786199062 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.477 C=CC(=O)NCCC1=NC=CS1 Z1104862178 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.477 COC(=O)CCCC1=CC=CS1 Z18056150 [0,1,0,0,0,0|0,0,0]=1 72 B12R1.477 COC(=O)CCCN1C=CC=C1 Z1461581449 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.477 COC(=O)CCSC1=NN=CS1 Z103173556 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.477 COC(=O)NCCC1=CN=CN1 Z3231905935 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.477 NNC(=S)NCCC1=CC=CS1 Z211318978 [0,1,0,0,0,0|2,1,0]=4 76 B12R1.477 O=C(CCl)NCCC1=CC=CS1 Z89283306 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.477 O=C(NO)NCCC1=CC=CS1 Z335452622 [0,1,0,0,0,0|1,0,0]=2 78 B10R0.3 O=C(O)CCNC(=O)/C=C/Cl Z2888817024 [0,0,1,0,0,0|2,1,0]=4 79 B12R2.6 O=C1CC(CN1)C2=CC=CO2 Z1251360533 [0,0,0,1,0,0|2,1,0]=4 80 B12R2.6 O=C1CCC(N1)C2=CC=CO2 Z1509149411 [0,0,0,1,0,0|1,1,0]=3 81 B12R2.6 O=C1CCC(N1)C2=CC=CS2 Z1251362246 [0,0,0,1,0,0|1,0,0]=2 82 B12R2.6 O=C1NN=C(O1)C2=CC=CS2 Z104341540 [0,0,0,1,0,0|2,0,1]=4 83 B12R2.114 O=C1CCCC2=C(N1)C=CS2 Z1033300692 [0,0,0,1,0,0|1,0,0]=2 84 B12R2.1354 CC(=O)[C@@H]1C[C@H]1C2=CC=CS2 Z2309918518 [0,0,0,1,0,0|1,0,0]=2 85 B12R2.1354 O=C(O)C1CC1C2=CC=CO2 Z359510162 [0,0,0,1,0,0|0,1,0]=2 86 B12R2.1354 O=C(O)C1CC1C2=NN=CN2 Z1623864214 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.1354 O=C(O)[C@@H]1C[C@@H]1C2=NNC=N2 Z3069842878 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CC=CO2 Z2242045434 [0,0,0,1,0,0|0,1,0]=2 89 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CNC=N2 Z2573343613 [0,0,0,1,0,0|2,0,0]=3 90 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CSC=C2 Z2683332742 [0,0,0,1,0,0|2,0,0]=3 91 B12R2.1362 O=C(O)C1CCC2=C1NN=C2 Z2967335714 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.1362 O=C(O)C1CCC2=NC=CN12 Z1416171280 [0,0,0,1,0,0|2,0,0]=3 93 B12R2.1362 O=C(O)C1NCC2=NNC=C12 Z3023573124 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.2383 C1=CSC(=C1)COCC2CO2 Z90124428 [0,0,0,1,0,0|2,0,1]=4 95 B10R1.66 CC(=O)CCC1=CSC=C1 Z444869186 [0,0,0,0,1,0|3,0,0]=4 96 B10R1.66 CC(=O)CCN1C=CC=N1 Z362119622 [0,0,0,0,1,0|3,0,0]=4 97 B10R1.66 CC(=O)NCC1=CC=CO1 Z31407850 [0,0,0,0,1,0|2,1,0]=4 98 B10R1.66 CC(=O)NCC1=CC=CS1 Z29693692 [0,0,0,0,1,0|2,0,0]=3 99 B10R1.66 NC(=O)NCC1=CC=CO1 Z56900771 [0,0,0,0,1,0|2,1,0]=4 100 B10R1.66 NC(=O)NCC1=CC=CS1 Z108576590 [0,0,0,0,1,0|2,0,0]=3 101 B10R1.66 NC(=O)NCC1=NC=CS1 Z736935680 [0,0,0,0,1,0|3,0,0]=4 102 B10R1.66 NC(=S)NCC1=CC=CS1 Z404001698 [0,0,0,0,1,0|2,1,0]=4 103 B10R1.66 O=C(O)/C=C/C1=CC=CN1 Z1198166880 [0,0,0,0,1,0|1,0,2]=4 104 B10R1.66 O=C(O)/C=C/C1=CC=CO1 Z2311574202 [0,0,0,0,1,0|0,1,2]=4 105 B10R1.66 O=C(O)/C=C/C1=CC=CS1 Z56855126 [0,0,0,0,1,0|0,0,2]=3 106 B10R1.66 O=C(O)/C=C/C1=CN=CS1 Z1198166918 [0,0,0,0,1,0|1,0,2]=4 107 B10R1.66 O=C(O)/C=C/C1=NC=CS1 Z381407314 [0,0,0,0,1,0|1,0,2]=4 108 B10R1.66 O=C(O)CCC1=CC=CS1 Z57052863 [0,0,0,0,1,0|0,0,0]=1 109 B10R1.66 O=C(O)CCC1=CC=NN1 Z3063833168 [0,0,0,0,1,0|2,0,0]=3 110 B10R1.66 O=C(O)CCC1=CN=CO1 Z1255388483 [0,0,0,0,1,0|1,1,0]=3 111 B10R1.66 O=C(O)CCC1=CNC=N1 Z1770193418 [0,0,0,0,1,0|2,0,0]=3 112 B10R1.66 O=C(O)CCC1=CNN=C1 Z2251841401 [0,0,0,0,1,0|3,0,0]=4 113 B10R1.66 O=C(O)CCC1=CNN=N1 Z2235677946 [0,0,0,0,1,0|3,0,0]=4 114 B10R1.66 O=C(O)CCC1=COC=C1 Z1098234501 [0,0,0,0,1,0|2,0,0]=3 115 B10R1.66 O=C(O)CCC1=CON=C1 Z1205656268 [0,0,0,0,1,0|3,0,0]=4 116 B10R1.66 O=C(O)CCC1=CSC=C1 Z85923469 [0,0,0,0,1,0|2,0,0]=3 117 B10R1.66 O=C(O)CCC1=CSC=N1 Z381407422 [0,0,0,0,1,0|2,0,0]=3 118 B10R1.66 O=C(O)CCC1=NC=CN1 Z1913661002 [0,0,0,0,1,0|2,0,0]=3 119 B10R1.66 O=C(O)CCC1=NC=CS1 Z381407426 [0,0,0,0,1,0|1,0,0]=2 120 B10R1.66 O=C(O)CCC1=NN=CN1 Z1350606441 [0,0,0,0,1,0|3,0,0]=4 121 B10R1.66 O=C(O)CCC1=NN=CS1 Z4302498044 [0,0,0,0,1,0|2,0,0]=3 122 B10R1.66 O=C(O)CCC1=NOC=C1 Z1198279853 [0,0,0,0,1,0|2,0,0]=3 123 B10R1.66 O=C(O)CCN1C=CC=C1 Z245326706 [0,0,0,0,1,0|2,0,0]=3 124 B10R1.66 O=C(O)CCN1C=CC=N1 Z220346786 [0,0,0,0,1,0|2,0,0]=3 125 B10R1.66 O=C(O)CCN1C=CN=C1 Z53111117 [0,0,0,0,1,0|3,0,0]=4 126 B10R1.66 O=C(O)CCN1C=NC=N1 Z220616946 [0,0,0,0,1,0|3,0,0]=4 127 B10R1.66 O=C(O)CNC1=NC=CS1 Z316100440 [0,0,0,0,1,0|2,0,0]=3 128 B10R1.66 O=C(O)COC1=CSC=C1 Z1262541445 [0,0,0,0,1,0|3,0,0]=4 129 B10R1.66 O=C(O)COC1=NSC=C1 Z2787069249 [0,0,0,0,1,0|3,0,0]=4 130 B10R1.66 O=C(O)CSC1=NC=CS1 Z295404488 [0,0,0,0,1,0|2,0,0]=3 131 B10R1.66 O=C(O)CSC1=NN=CS1 Z55903773 [0,0,0,0,1,0|3,0,0]=4 132 B12R1.252 CC(=O)CCCC1=CN=CC=C1 Z1255405032 [0,0,0,0,0,1|2,0,0]=3 133 B12R1.252 CC(=O)CSCC1=NC=CC=N1 Z1838380902 [0,0,0,0,0,1|3,0,0]=4 134 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [0,0,0,0,0,1|3,0,0]=4 135 B12R1.252 CC(=O)NCCC1=CC=NC=C1 Z1198165525 [0,0,0,0,0,1|3,0,0]=4 136 B12R1.252 CC(=O)NCCC1=NC=CC=C1 Z32445986 [0,0,0,0,0,1|3,0,0]=4 137 B12R1.252 CC(=O)NCCC1=NC=CN=C1 Z1509178080 [0,0,0,0,0,1|3,0,0]=4 138 B12R1.252 CC(O)CCCC1=CN=CC=C1 Z1322050465 [0,0,0,0,0,1|2,0,1]=4 139 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [0,0,0,0,0,1|3,0,0]=4 140 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [0,0,0,0,0,1|3,0,0]=4 141 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [0,0,0,0,0,1|3,0,0]=4 142 B12R1.252 NC(=O)CCSC1=NC=CC=N1 Z102922430 [0,0,0,0,0,1|3,0,0]=4 143 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [0,0,0,0,0,1|3,0,0]=4 144 B12R1.252 NC(=O)CNCC1=CN=CC=C1 Z1695669950 [0,0,0,0,0,1|3,0,0]=4 145 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [0,0,0,0,0,1|3,0,0]=4 146 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [0,0,0,0,0,1|3,0,0]=4 147 B12R1.252 NC(=O)NCCC1=CN=CC=C1 Z432778234 [0,0,0,0,0,1|3,0,0]=4 148 B12R1.252 NC(=O)NCCC1=NC=CC=C1 Z198194814 [0,0,0,0,0,1|3,0,0]=4 149 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 Z976639296 [0,0,0,0,0,1|1,0,2]=4 150 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [0,0,0,0,0,1|1,0,0]=2 151 B12R1.252 O=C(O)CCCC1=CC=NC=C1 Z2106608658 [0,0,0,0,0,1|1,0,0]=2 152 B12R1.252 O=C(O)CCCC1=NC=CC=C1 Z1259273117 [0,0,0,0,0,1|1,0,0]=2 153 B12R1.252 O=C(O)CCCC1=NC=CN=C1 Z1262554933 [0,0,0,0,0,1|1,0,0]=2 154 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,0,0,0,0,1|2,0,0]=3 155 B12R1.252 O=C(O)CCNC1=NC=CC=C1 Z285820166 [0,0,0,0,0,1|2,0,0]=3 156 B12R1.252 O=C(O)CCNC1=NC=CC=N1 Z246310120 [0,0,0,0,0,1|2,0,0]=3 157 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [0,0,0,0,0,1|2,0,0]=3 158 B12R1.252 O=C(O)CCOC1=CN=CC=C1 Z336080826 [0,0,0,0,0,1|2,0,0]=3 159 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [0,0,0,0,0,1|2,0,0]=3 160 B12R1.252 O=C(O)CCSC1=NC=CC=C1 Z102927312 [0,0,0,0,0,1|2,0,0]=3 161 B12R1.252 O=C(O)CCSC1=NC=CC=N1 Z102922408 [0,0,0,0,0,1|2,0,0]=3 162 B12R1.252 O=C(O)CNCC1=CN=CC=C1 Z372854000 [0,0,0,0,0,1|2,0,0]=3 163 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z1259041052 [0,0,0,0,0,1|2,0,0]=3 164 B12R1.252 O=C(O)COCC1=CC=NC=C1 Z1262561205 [0,0,0,0,0,1|2,0,0]=3 165 B12R1.252 O=C(O)COCC1=CN=CC=C1 Z1262555665 [0,0,0,0,0,1|2,0,0]=3 166 B12R1.252 O=C(O)COCC1=NC=CC=C1 Z1262528420 [0,0,0,0,0,1|2,0,0]=3 167 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [0,0,0,0,0,1|2,0,0]=3 168 B12R1.252 O=C(O)CSCC1=CC=NC=C1 Z228589362 [0,0,0,0,0,1|2,0,0]=3 169 B12R1.252 O=C(O)CSCC1=CN=CC=C1 Z228589228 [0,0,0,0,0,1|2,0,0]=3 170 B12R1.252 O=C(O)CSCC1=NC=CC=C1 Z228589018 [0,0,0,0,0,1|2,0,0]=3 171 B12R1.255 CN(C)CCNCC1=CC=CS1 Z90512807 [0,0,0,0,0,1|3,0,0]=4 172 B12R1.255 CS(=O)CCNCC1=CC=CS1 Z1220773024 [0,0,0,0,0,1|2,0,0]=3 173 B12R1.255 O=C(O)/C=C/SCC1=CC=CO1 Z1357880798 [0,0,0,0,0,1|0,1,2]=4 174 B12R1.255 O=C(O)CCCCC1=CNN=N1 Z1650031577 [0,0,0,0,0,1|3,0,0]=4 175 B12R1.255 O=C(O)CCCCN1C=CN=C1 Z362633758 [0,0,0,0,0,1|3,0,0]=4 176 B12R1.255 O=C(O)CCCCN1C=CN=N1 Z4912522151 [0,0,0,0,0,1|3,0,0]=4 177 B12R1.255 O=C(O)CNCCC1=CC=CS1 Z1259273193 [0,0,0,0,0,1|0,0,0]=1 178 B9R0.2 C=CCOCCCC(=O)O Z362807808 [1,0,1,0,0,0|0,1,1]=4 179 B9R1.12 CNCCC1=CC=CS1 Z162416950 [2,0,0,0,0,0|1,0,1]=4 180 B9R1.12 NCCCC1=NC=CS1 Z1263529635 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.12 O=CCCC1=CSC=C1 Z993017658 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.12 OCCCC1=CNC=N1 Z1142681983 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.12 OCCCC1=COC=C1 Z1198265634 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.12 OCCCC1=CSC=C1 Z993012564 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.12 OCCCC1=CSC=N1 Z1270133079 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.12 OCCCC1=NC=CN1 Z2771661063 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.12 OCCCN1C=CC=N1 Z425794826 [2,0,0,0,0,0|2,0,0]=4 188 B11R1.4 C=CCNCCC1=CC=CO1 Z162446542 [1,1,0,0,0,0|1,1,0]=4 189 B11R1.4 COCCNCC1=CC=CS1 Z85923409 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.27 C=CCNCC1=CC=C(S1)Br Z57983104 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.27 C=CCNCC1=CC=C(S1)Cl Z57057704 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.27 CN1C=NC(=C1)CCCC=O Z3995681896 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.27 NCCCCC1=CC=C(S1)Cl Z2027049471 [1,1,0,0,0,0|1,0,1]=4 194 B11R1.27 OCCNCC1=CC(=CS1)Br Z1840278154 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.30 CC(CC1=CC=CS1)N=C=O Z1119167680 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.30 CC(CCN)CC1=CC=CS1 Z5431685558 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.35 C/C(=C\C1=CC=CS1)/C(=O)O Z1198150490 [0,1,0,0,1,0|0,0,2]=4 198 B11R1.35 CC(CC1=CC=CS1)C(=O)O Z756390536 [0,1,0,0,1,0|0,0,0]=2 199 B11R1.35 CC(CN1C=CC=N1)C(=O)O Z421787104 [0,1,0,0,1,0|2,0,0]=4 200 B11R1.35 CN(CC1=CC=CS1)C(=O)N Z198194122 [0,1,0,0,1,0|2,0,0]=4 201 B11R1.35 NC(CC1=CC=CN1)C(=O)O Z1065645554 [0,1,0,0,1,0|1,0,0]=3 202 B11R1.35 NC(CC1=CC=CO1)C(=O)O Z317025794 [0,1,0,0,1,0|0,1,0]=3 203 B11R1.35 NC(CC1=CC=NO1)C(=O)O Z2429425584 [0,1,0,0,1,0|1,1,0]=4 204 B11R1.35 NC(CC1=CN=CS1)C(=O)O Z2753010848 [0,1,0,0,1,0|1,0,0]=3 205 B11R1.35 NC(CC1=CNC=N1)C(=O)O Z1259162152 [0,1,0,0,1,0|2,0,0]=4 206 B11R1.35 NC(CC1=COC=C1)C(=O)O Z3839442137 [0,1,0,0,1,0|2,0,0]=4 207 B11R1.35 NC(CC1=COC=N1)C(=O)O Z3377962909 [0,1,0,0,1,0|2,0,0]=4 208 B11R1.35 NC(CC1=CSC=C1)C(=O)O Z3251695259 [0,1,0,0,1,0|2,0,0]=4 209 B11R1.35 NC(CC1=CSC=N1)C(=O)O Z3355847058 [0,1,0,0,1,0|2,0,0]=4 210 B11R1.35 NC(CC1=NC=NS1)C(=O)O Z3753017084 [0,1,0,0,1,0|2,0,0]=4 211 B11R1.35 NC(CC1=NNC=C1)C(=O)O Z2503042485 [0,1,0,0,1,0|2,0,0]=4 212 B11R1.35 NC(CN1C=CC=N1)C(=O)O Z2933867195 [0,1,0,0,1,0|2,0,0]=4 213 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O Z359369984 [0,1,0,0,1,0|2,0,0]=4 214 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O Z1079168982 [0,1,0,0,1,0|2,0,0]=4 215 B11R1.35 O=C(O)C(=O)CC1=CC=CS1 Z271004562 [0,1,0,0,1,0|0,0,1]=3 216 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 Z3410265465 [0,1,0,0,1,0|2,0,0]=4 217 B11R1.75 CC(=O)CCC1=CC=C(S1)Cl Z406376898 [0,1,0,0,1,0|1,0,0]=3 218 B11R1.75 CC(=O)NCC1=CC=C(S1)Br Z352010878 [0,1,0,0,1,0|2,0,0]=4 219 B11R1.75 CC1=CC(=NO1)CCC(=O)O Z1216839860 [0,1,0,0,1,0|2,0,0]=4 220 B11R1.75 CC1=CC=C(O1)CCC(=O)O Z57248456 [0,1,0,0,1,0|0,1,0]=3 221 B11R1.75 CC1=CC=C(S1)/C=C/C(=O)O Z2942853021 [0,1,0,0,1,0|0,0,2]=4 222 B11R1.75 CC1=CC=C(S1)CCC(=O)O Z381359992 [0,1,0,0,1,0|0,0,0]=2 223 B11R1.75 CC1=CN(N=C1)CCC(=O)O Z275127962 [0,1,0,0,1,0|2,0,0]=4 224 B11R1.75 CC1=CNC(=N1)CCC(=O)O Z3181965688 [0,1,0,0,1,0|2,0,0]=4 225 B11R1.75 CC1=CSC(=N1)CCC(=O)O Z1198306714 [0,1,0,0,1,0|1,0,0]=3 226 B11R1.75 CC1=CSC(=N1)NCC(=O)O Z316100442 [0,1,0,0,1,0|2,0,0]=4 227 B11R1.75 CC1=NC(=CS1)CCC(=O)O Z1184876049 [0,1,0,0,1,0|2,0,0]=4 228 B11R1.75 CC1=NC=C(O1)CCC(=O)O Z1255392347 [0,1,0,0,1,0|1,1,0]=4 229 B11R1.75 CC1=NC=C(S1)CCC(=O)O Z1079166524 [0,1,0,0,1,0|1,0,0]=3 230 B11R1.75 CC1=NNC(=C1)CCC(=O)O Z1251358529 [0,1,0,0,1,0|2,0,0]=4 231 B11R1.75 CC1=NOC(=C1)CCC(=O)O Z1216842852 [0,1,0,0,1,0|1,1,0]=4 232 B11R1.75 CN1C=CC(=C1)CCC(=O)O Z1262521199 [0,1,0,0,1,0|2,0,0]=4 233 B11R1.75 CN1C=NC(=C1)CCC(=O)O Z3681634742 [0,1,0,0,1,0|2,0,0]=4 234 B11R1.75 NC(=O)CCC1=CC=C(S1)Cl Z458893400 [0,1,0,0,1,0|1,0,0]=3 235 B11R1.75 NC1=CN(N=C1)CCC(=O)O Z802829580 [0,1,0,0,1,0|2,0,0]=4 236 B11R1.75 NC1=NC(=CS1)CCC(=O)O Z1147235463 [0,1,0,0,1,0|2,0,0]=4 237 B11R1.75 NC1=NC=C(N1)CCC(=O)O Z3300728684 [0,1,0,0,1,0|2,0,0]=4 238 B11R1.75 NC1=NC=C(S1)CCC(=O)O Z1154248781 [0,1,0,0,1,0|1,0,0]=3 239 B11R1.75 NC1=NN=C(S1)CCC(=O)O Z274514086 [0,1,0,0,1,0|2,0,0]=4 240 B11R1.75 O=C(O)/C=C/C1=CC(=CS1)Br Z2312944403 [0,1,0,0,1,0|0,0,2]=4 241 B11R1.75 O=C(O)/C=C/C1=CC=C(S1)Br Z2315579743 [0,1,0,0,1,0|0,0,2]=4 242 B11R1.75 O=C(O)/C=C/C1=CC=C(S1)Cl Z221300456 [0,1,0,0,1,0|0,0,2]=4 243 B11R1.75 O=C(O)CCC1=CC(=CS1)Br Z381359988 [0,1,0,0,1,0|0,0,0]=2 244 B11R1.75 O=C(O)CCC1=CC(=CS1)Cl Z234898661 [0,1,0,0,1,0|0,0,0]=2 245 B11R1.75 O=C(O)CCC1=CC=C(S1)Cl Z381359990 [0,1,0,0,1,0|0,0,0]=2 246 B11R1.75 O=C(O)CCC1=CNC(=N1)S Z3235142381 [0,1,0,0,1,0|2,0,0]=4 247 B11R1.75 O=C(O)CCC1=CNC(=O)N1 Z1262517531 [0,1,0,0,1,0|2,0,0]=4 248 B11R1.75 O=C(O)CCN1C=C(C=N1)Br Z608353718 [0,1,0,0,1,0|2,0,0]=4 249 B11R1.75 O=C(O)CCN1C=C(C=N1)Cl Z625454300 [0,1,0,0,1,0|2,0,0]=4 250 B11R1.77 C/C(=C\C(=O)O)/C1=CC=CS1 Z352748066 [0,1,0,0,1,0|0,0,2]=4 251 B11R1.77 CC(=O)NC(C)C1=CC=CS1 Z28880796 [0,1,0,0,1,0|2,0,0]=4 252 B11R1.77 CC(CC(=O)O)N1C=CC=C1 Z398989776 [0,1,0,0,1,0|2,0,0]=4 253 B11R1.77 CC(CC(=O)O)N1C=CC=N1 Z431537238 [0,1,0,0,1,0|2,0,0]=4 254 B11R1.77 NC(CC(=O)O)C1=CC=CS1 Z221523588 [0,1,0,0,1,0|0,0,0]=2 255 B11R1.77 NC(CC(=O)O)C1=CSC=C1 Z285185092 [0,1,0,0,1,0|2,0,0]=4 256 B11R1.77 NC(CC(=O)O)C1=NC=CS1 Z1255465757 [0,1,0,0,1,0|1,0,0]=3 257 B11R1.90 CC1=C(SC=C1)/C=C/C(=O)O Z2942851704 [0,1,0,0,1,0|0,0,2]=4 258 B11R1.90 CC1=C(SC=N1)CCC(=O)O Z1198166208 [0,1,0,0,1,0|1,0,0]=3 259 B11R1.90 CN1C=CC=C1CCC(=O)O Z362827938 [0,1,0,0,1,0|1,0,0]=3 260 B11R1.90 CN1C=CN=C1CCC(=O)O Z2939814866 [0,1,0,0,1,0|2,0,0]=4 261 B11R1.90 CN1C=NC=C1CCC(=O)O Z1824511285 [0,1,0,0,1,0|2,0,0]=4 262 B11R1.90 CN1N=CC=C1CCC(=O)O Z1198171512 [0,1,0,0,1,0|2,0,0]=4 263 B11R1.90 O=C(O)CCC1=C(C=CS1)Br Z854069976 [0,1,0,0,1,0|0,0,0]=2 264 B11R1.90 O=C(O)CCC1=C(SC=C1)Br Z2236423623 [0,1,0,0,1,0|2,0,0]=4 265 B11R1.90 O=C(O)CCC1=C(SC=C1)Cl Z2261978289 [0,1,0,0,1,0|2,0,0]=4 266 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 Z1198150373 [0,1,0,0,0,1|1,0,0]=3 267 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 Z1259273310 [0,1,0,0,0,1|2,0,0]=4 268 B13R1.45 CN(CCC(=O)O)C1=CC=NC=C1 Z1762658191 [0,1,0,0,0,1|2,0,0]=4 269 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 Z2213893322 [0,1,0,0,0,1|1,0,0]=3 270 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 Z57127328 [0,1,0,0,0,1|1,0,1]=4 271 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 Z1255488500 [0,1,0,0,0,1|1,0,1]=4 272 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 Z838955798 [0,1,0,0,0,1|1,0,1]=4 273 B13R1.149 CC1=CC(=CC=C1)CNCC(=O)O Z1270446344 [0,1,0,0,0,1|2,0,0]=4 274 B13R1.149 CC1=CC(=CC=C1)COCC(=O)O Z1251362362 [0,1,0,0,0,1|2,0,0]=4 275 B13R1.149 CC1=CC(=CC=C1)CSCC(=O)O Z19692175 [0,1,0,0,0,1|2,0,0]=4 276 B13R1.149 CC1=CC(=CC=C1)OCCC(=O)O Z56805757 [0,1,0,0,0,1|2,0,0]=4 277 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Br Z1097106911 [0,1,0,0,0,1|1,0,0]=3 278 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Cl Z1198171600 [0,1,0,0,0,1|1,0,0]=3 279 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)Br Z56893184 [0,1,0,0,0,1|2,0,0]=4 280 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)Cl Z240085186 [0,1,0,0,0,1|2,0,0]=4 281 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)F Z240085194 [0,1,0,0,0,1|2,0,0]=4 282 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)I Z381428310 [0,1,0,0,0,1|2,0,0]=4 283 B13R1.149 O=C(O)CCSC1=CC(=CC=C1)Cl Z994465870 [0,1,0,0,0,1|2,0,0]=4 284 B13R1.149 O=C(O)CNCC1=CC(=CC=C1)Br Z239092040 [0,1,0,0,0,1|2,0,0]=4 285 B13R1.149 O=C(O)CNCC1=CC(=CC=C1)F Z763367852 [0,1,0,0,0,1|2,0,0]=4 286 B13R1.149 O=C(O)COCC1=CC(=CC=C1)Cl Z1258763876 [0,1,0,0,0,1|2,0,0]=4 287 B13R1.149 O=C(O)COCC1=CC(=O)NC=C1 Z2680630303 [0,1,0,0,0,1|2,0,0]=4 288 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Br Z19692009 [0,1,0,0,0,1|2,0,0]=4 289 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Cl Z19691783 [0,1,0,0,0,1|2,0,0]=4 290 B13R1.149 O=C(O)CSCC1=CC(=CN=C1)F Z4359812984 [0,1,0,0,0,1|2,0,0]=4 291 B13R1.158 CC1=C(C=CC=C1)CNCC(=O)O Z763366336 [0,1,0,0,0,1|2,0,0]=4 292 B13R1.158 CC1=C(C=CC=C1)COCC(=O)O Z1251362361 [0,1,0,0,0,1|2,0,0]=4 293 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)O Z56922066 [0,1,0,0,0,1|2,0,0]=4 294 B13R1.158 CC1=C(C=CC=C1)OCCC(=O)O Z56805748 [0,1,0,0,0,1|2,0,0]=4 295 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O Z1982493918 [0,1,0,0,0,1|1,0,0]=3 296 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Br Z1097106913 [0,1,0,0,0,1|1,0,0]=3 297 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Cl Z1209411177 [0,1,0,0,0,1|1,0,0]=3 298 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)F Z1198171601 [0,1,0,0,0,1|1,0,0]=3 299 B13R1.158 O=C(O)CCCN1C=CC=CC1=O Z285049636 [0,1,0,0,0,1|2,0,0]=4 300 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Br Z295439184 [0,1,0,0,0,1|2,0,0]=4 301 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Cl Z206905212 [0,1,0,0,0,1|2,0,0]=4 302 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)F Z56922157 [0,1,0,0,0,1|2,0,0]=4 303 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)O Z1262518325 [0,1,0,0,0,1|2,0,0]=4 304 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Br Z293002250 [0,1,0,0,0,1|2,0,0]=4 305 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Cl Z56813499 [0,1,0,0,0,1|2,0,0]=4 306 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)F Z103229718 [0,1,0,0,0,1|2,0,0]=4 307 B13R1.158 O=C(O)COCC1=C(C=CC=C1)Cl Z316259048 [0,1,0,0,0,1|2,0,0]=4 308 B13R1.158 O=C(O)CSCC1=C(C=CC=C1)Cl Z19691784 [0,1,0,0,0,1|2,0,0]=4 309 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 Z1259040954 [0,1,0,0,0,1|2,0,0]=4 310 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [0,1,0,0,0,1|1,0,0]=3 311 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [0,1,0,0,0,1|1,0,0]=3 312 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O Z425469932 [0,1,0,0,0,1|2,0,0]=4 313 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O Z431541708 [0,1,0,0,0,1|2,0,0]=4 314 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O Z426041612 [0,1,0,0,0,1|2,0,0]=4 315 B13R1.351 CC(NCC1=CN=CC=C1)C(=O)O Z440613690 [0,1,0,0,0,1|2,0,0]=4 316 B13R1.351 CC(NCC1=NC=CC=C1)C(=O)O Z1270255478 [0,1,0,0,0,1|2,0,0]=4 317 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O Z316258798 [0,1,0,0,0,1|2,0,0]=4 318 B13R1.351 CC(OCC1=CC=NC=C1)C(=O)O Z2235681270 [0,1,0,0,0,1|2,0,0]=4 319 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Z18753939 [0,1,0,0,0,1|2,0,0]=4 320 B13R1.351 C[C@H](NCC1=NC=CC=C1)C(=O)O Z5717815294 [0,1,0,0,0,1|2,0,0]=4 321 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O Z1255498772 [0,1,0,0,0,1|2,0,0]=4 322 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [0,1,0,0,0,1|1,0,0]=3 323 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O Z3004510439 [0,1,0,0,0,1|1,0,0]=3 324 B13R1.351 NC(CCC1=NC=CC=C1)C(=O)O Z2310672466 [0,1,0,0,0,1|1,0,0]=3 325 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [0,1,0,0,0,1|1,0,0]=3 326 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [0,1,0,0,0,1|1,0,0]=3 327 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 Z1201620725 [0,1,0,0,0,1|1,0,1]=4 328 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 Z1259340035 [0,1,0,0,0,1|1,0,0]=3 329 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O Z336127890 [0,1,0,0,0,1|1,0,0]=3 330 B13R1.513 CC1=CC=C(C=C1)CNCC(=O)O Z359506420 [0,1,0,0,0,1|2,0,0]=4 331 B13R1.513 CC1=CC=C(C=C1)COCC(=O)O Z2630879936 [0,1,0,0,0,1|2,0,0]=4 332 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O Z19691181 [0,1,0,0,0,1|2,0,0]=4 333 B13R1.513 CC1=CC=C(C=C1)NCCC(=O)O Z56886521 [0,1,0,0,0,1|2,0,0]=4 334 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)O Z56805738 [0,1,0,0,0,1|2,0,0]=4 335 B13R1.513 CC1=CC=C(C=C1)SCCC(=O)O Z56813260 [0,1,0,0,0,1|2,0,0]=4 336 B13R1.513 CC1=CN=C(C=C1)NCCC(=O)O Z295404834 [0,1,0,0,0,1|2,0,0]=4 337 B13R1.513 NC1=CC=C(C=C1)CCCC(=O)O Z336079594 [0,1,0,0,0,1|1,0,0]=3 338 B13R1.513 NC1=CC=C(C=C1)OCCC(=O)O Z1259335771 [0,1,0,0,0,1|2,0,0]=4 339 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br Z336286028 [0,1,0,0,0,1|1,0,0]=3 340 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl Z336286026 [0,1,0,0,0,1|1,0,0]=3 341 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)F Z336285992 [0,1,0,0,0,1|1,0,0]=3 342 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O Z1201617656 [0,1,0,0,0,1|1,0,0]=3 343 B13R1.513 O=C(O)CCCC1=NN=C(C=C1)Cl Z1416161900 [0,1,0,0,0,1|1,0,0]=3 344 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Br Z240085156 [0,1,0,0,0,1|2,0,0]=4 345 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Cl Z57229608 [0,1,0,0,0,1|2,0,0]=4 346 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)F Z240085178 [0,1,0,0,0,1|2,0,0]=4 347 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Br Z102925164 [0,1,0,0,0,1|2,0,0]=4 348 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl Z56812813 [0,1,0,0,0,1|2,0,0]=4 349 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)F Z90123554 [0,1,0,0,0,1|2,0,0]=4 350 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Cl Z1259339984 [0,1,0,0,0,1|2,0,0]=4 351 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)F Z818727022 [0,1,0,0,0,1|2,0,0]=4 352 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Br Z19691780 [0,1,0,0,0,1|2,0,0]=4 353 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Cl Z19691775 [0,1,0,0,0,1|2,0,0]=4 354 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)F Z19691787 [0,1,0,0,0,1|2,0,0]=4 355 B13R1.718 COC(=O)CNCC1=CC=CC=C1 Z138464916 [0,1,0,0,0,1|2,0,0]=4 356 B13R1.718 NNC(=O)CCCC1=CC=CC=C1 Z361890858 [0,1,0,0,0,1|2,0,0]=4 357 B13R1.718 O=C(CCCC1=CC=CC=C1)NO Z361890960 [0,1,0,0,0,1|1,0,0]=3 358 B13R1.718 O=C(CCOC1=CC=CC=C1)NO Z59182364 [0,1,0,0,0,1|2,0,0]=4 359 B13R1.718 O=C(CCl)CCCC1=CC=CC=C1 Z1262478900 [0,1,0,0,0,1|2,0,0]=4 360 B13R1.128 CC1=CC=C(S1)CNCCS(=O)C Z1220772906 [0,1,0,0,0,1|2,0,0]=4 361 B13R1.128 O=C(O)COCCC1=CC=C(S1)Cl Z802811852 [0,1,0,0,0,1|0,0,0]=2 362 B13R1.128 O=C([O-])CCNCC1=CC=C(O1)Br Z3271145243 [0,1,0,0,0,1|0,1,1]=4 363 B13R1.342 C/C(=N\OCC(=O)O)/C1=CC=CS1 Z56808190 [0,1,0,0,0,1|1,0,1]=4 364 B13R1.342 O=C(O)CCCC(=O)C1=CC=CS1 Z234895521 [0,1,0,0,0,1|0,0,0]=2 365 B13R1.342 O=C(O)CCNC(=O)C1=CC=CN1 Z336030508 [0,1,0,0,0,1|1,0,1]=4 366 B13R1.342 O=C(O)CCNC(=O)C1=CC=CO1 Z56940975 [0,1,0,0,0,1|0,1,1]=4 367 B13R1.342 O=C(O)CCNC(=O)C1=CC=CS1 Z85914416 [0,1,0,0,0,1|0,0,1]=3 368 B13R1.344 O=C(O)CCC(=O)NC1=NC=CS1 Z56759043 [0,1,0,0,0,1|1,0,1]=4 369 B13R1.536 COC(=O)CCCSC1=NC=CN1 Z1273008362 [0,1,0,0,0,1|2,0,0]=4 370 B13R1.593 CC(=O)NC(C)CCC1=CC=CO1 Z62961140 [0,1,0,0,0,1|1,1,0]=4 371 B13R1.2904 CS(=O)(=O)CCCSC1=CC=CS1 Z1222467896 [0,1,0,0,0,1|1,0,1]=4 372 B13R1.129 CC1=CC=C(S1)C(=O)CCC(=O)O Z85918817 [0,2,0,0,0,0|0,0,1]=3 373 B13R1.129 CC1=CC=C(S1)C(=O)NCC(=O)O Z56891397 [0,2,0,0,0,0|1,0,1]=4 374 B13R1.129 NC(=O)CCC(=O)C1=CC=C(S1)Cl Z33546854 [0,2,0,0,0,0|1,0,1]=4 375 B13R1.129 O=C(O)CCC(=O)C1=CC(=CS1)Br Z1272697131 [0,2,0,0,0,0|0,0,1]=3 376 B13R1.129 O=C(O)CCC(=O)C1=CC=C(S1)Cl Z56886344 [0,2,0,0,0,0|0,0,1]=3 377 B13R1.129 O=C(O)CNC(=O)C1=CC(=CS1)Br Z1416188675 [0,2,0,0,0,0|1,0,1]=4 378 B13R1.129 O=C(O)CNC(=O)C1=CC=C(S1)Br Z85887069 [0,2,0,0,0,0|1,0,1]=4 379 B13R1.162 COC(=O)CNC(=O)C1=CC=CS1 Z18633406 [0,2,0,0,0,0|1,0,1]=4 380 B13R1.339 CC(NC(=O)C1=CC=CS1)C(=O)O Z57228584 [0,2,0,0,0,0|1,0,1]=4 381 B13R1.339 NC(CC(=O)C1=CC=CS1)C(=O)O Z1483934642 [0,2,0,0,0,0|0,0,1]=3 382 B13R1.340 CC(C1=CC=CS1)N(C)CC(=O)N Z169465986 [0,2,0,0,0,0|2,0,0]=4 383 B13R1.340 CN(CC(=O)O)C(=O)C1=CC=CS1 Z85895273 [0,2,0,0,0,0|1,0,1]=4 384 B13R1.340 O=C(O)CC(Br)C(=O)C1=CC=CS1 Z56774106 [0,2,0,0,0,0|0,0,1]=3 385 B13R1.588 O=C(O)CNS(=O)(=O)C1=CC=CS1 Z45658540 [0,2,0,0,0,0|2,0,0]=4 386 B13R1.60 CCC1=NC=C(S1)CNCC(=O)O Z1333043360 [0,2,0,0,0,0|2,0,0]=4 387 B13R1.717 CCC(=O)NCCC1=CC=C(S1)I Z1037932374 [0,2,0,0,0,0|2,0,0]=4 388 B13R1.717 COC(=O)CCCC1=CSC(=N1)N Z1375811781 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.717 COC(=O)CCCC1=NN=C(S1)N Z1224470340 [0,2,0,0,0,0|2,0,0]=4 390 B13R1.717 COC(=O)CNCC1=CC=C(S1)Cl Z138467084 [0,2,0,0,0,0|1,0,0]=3 391 B13R1.3424 CN(CC(=O)N)CC1=CC(=CS1)Br Z433023988 [0,2,0,0,0,0|2,0,0]=4 392 B13R1.3424 CN(CC(=O)N)CC1=CC=C(S1)Br Z103966140 [0,2,0,0,0,0|2,0,0]=4 393 B13R1.3424 CN(CC(=O)N)CC1=CC=C(S1)Cl Z103766560 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.3425 CC(SCC1=CC=C(S1)Br)C(=O)N Z900454964 [0,2,0,0,0,0|2,0,0]=4 395 B13R1.3425 CC1=CSC(=C1)CNC(=O)C(=O)O Z2229749871 [0,2,0,0,0,0|1,0,1]=4 396 B13R1.3443 CC1=NN(C=C1Br)CCCC(=O)O Z1263738461 [0,2,0,0,0,0|2,0,0]=4 397 B13R1.3485 CC1=CC(=C(S1)C)CCCC(=O)O Z361894388 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.3485 CC1=CC(=NN1CCCC(=O)O)C Z274553690 [0,2,0,0,0,0|2,0,0]=4 399 B13R1.3485 O=C(O)CCCC1=C(SC(=C1)Cl)Cl Z389940984 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.7544 CC1=C(C=NN1CCCC(=O)O)Cl Z1229834866 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.2007 O=C(O)CS(=O)(=O)CC1=CC=CS1 Z228588774 [0,2,0,0,0,0|1,0,0]=3 402 B13R1.554 COC(=O)[C@@H](C)NCC1=CN=CS1 Z1951628717 [0,2,0,0,0,0|2,0,0]=4 403 B13R1.404 CSCC(=O)NCCC1=CC=CS1 Z29190674 [0,2,0,0,0,0|1,1,0]=4 404 B11R1.53 O=CC1=CNCCC1C(=O)O Z3469696901 [0,0,1,1,0,0|1,1,0]=4 405 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [0,0,1,1,0,0|1,0,1]=4 406 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [0,0,1,1,0,0|1,0,1]=4 407 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [0,0,1,1,0,0|1,0,1]=4 408 B11R2.2 C1=CSC(=C1)C2CCCN2 Z57039610 [1,0,0,1,0,0|1,0,1]=4 409 B11R2.18 C1=CC2=C(S1)CCCNC2 Z1266823193 [1,0,0,1,0,0|2,0,0]=4 410 B11R2.32 O=C[C@@H]1C[C@H]1C2=CC=CO2 Z3581743888 [1,0,0,1,0,0|0,1,0]=3 411 B11R2.32 O=C[C@@H]1C[C@H]1C2=CC=CS2 Z3581757674 [1,0,0,1,0,0|0,0,0]=2 412 B11R2.32 O=C[C@@H]1C[C@H]1C2=CSC=C2 Z3581743841 [1,0,0,1,0,0|2,0,0]=4 413 B11R2.106 NC1CCCC2=C1C=CS2 Z1021395154 [1,0,0,1,0,0|1,0,1]=4 414 B11R2.106 O=C1CCCC2=C1C=CN2 Z905041600 [1,0,0,1,0,0|1,0,0]=3 415 B11R2.106 O=C1CCCC2=C1C=CO2 Z763285450 [1,0,0,1,0,0|0,1,0]=3 416 B11R2.106 O=C1CCCC2=C1C=NN2 Z336080982 [1,0,0,1,0,0|2,0,0]=4 417 B11R2.106 O=C1CCCC2=C1N=CN2 Z3222424299 [1,0,0,1,0,0|2,0,0]=4 418 B11R2.106 O=C1CCCC2=C1NC=C2 Z1203731696 [1,0,0,1,0,0|2,0,0]=4 419 B11R2.106 O=C1CCCN2C1=CC=C2 Z1255443965 [1,0,0,1,0,0|2,0,0]=4 420 B11R2.106 O=C1NCCC2=C1C=CS2 Z1486036948 [1,0,0,1,0,0|1,0,0]=3 421 B11R2.36 O=C1CSC2=C(N1)C=CS2 Z1509163368 [0,0,0,1,1,0|2,0,0]=4 422 B13R2.31 O=C1CC(N1)CC2=CC=CC=C2 Z1198168168 [0,0,0,1,0,1|2,0,0]=4 423 B13R2.72 NC(=O)C1CCC2=C1C=CC=C2 Z1127744301 [0,0,0,1,0,1|2,0,0]=4 424 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 Z792377300 [0,0,0,1,0,1|1,0,0]=3 425 B13R2.72 O=C(O)C1COC2=C1C=CC=C2 Z897815480 [0,0,0,1,0,1|2,0,0]=4 426 B13R2.72 O=C(O)C1CSC2=C1C=CC=C2 Z1222331919 [0,0,0,1,0,1|2,0,0]=4 427 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 Z1255446913 [0,0,0,1,0,1|2,0,0]=4 428 B13R2.163 O=C1CCCC2=C(N1)C=CC=C2 Z362764922 [0,0,0,1,0,1|2,0,0]=4 429 B13R2.163 O=C1CCCC2=C(N1)C=CC=N2 Z1216823228 [0,0,0,1,0,1|2,0,0]=4 430 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 Z1198162290 [0,0,0,1,0,1|1,0,0]=3 431 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2235584851 [0,0,0,1,0,1|1,0,0]=3 432 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=NC=C2 Z2379204261 [0,0,0,1,0,1|1,0,0]=3 433 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CN=CC=C2 Z2242045438 [0,0,0,1,0,1|1,0,0]=3 434 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=NC=CC=C2 Z3070727223 [0,0,0,1,0,1|1,0,0]=3 435 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 Z1235967724 [0,0,0,1,0,1|1,0,0]=3 436 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 Z1262510970 [0,0,0,1,0,1|1,0,0]=3 437 B13R2.432 O=C(O)[C@@H]1CC[C@H]1N2C=CC=N2 Z2311233501 [0,0,0,1,0,1|2,0,0]=4 438 B13R2.5569 NC(=O)C1CCCC2=C1C=CS2 Z1460887846 [0,0,0,1,0,1|1,0,0]=3 439 B13R2.5569 O=C(O)C1CCCC2=C1C=CS2 Z1021396634 [0,0,0,1,0,1|0,0,0]=2 440 B13R2.5569 O=C(O)C1CCCC2=C1C=NN2 Z1322269332 [0,0,0,1,0,1|2,0,0]=4 441 B13R2.5569 O=C(O)C1CCCC2=C1N=CN2 Z1216829004 [0,0,0,1,0,1|2,0,0]=4 442 B13R2.5569 O=C(O)C1CCCC2=C1N=CS2 Z1649764913 [0,0,0,1,0,1|1,0,0]=3 443 B13R2.5569 O=C(O)C1CCCC2=CC=NN12 Z1504670144 [0,0,0,1,0,1|2,0,0]=4 444 B13R2.5569 O=C(O)C1CCCN2C1=CC=N2 Z1504685302 [0,0,0,1,0,1|2,0,0]=4 445 B13R2.5569 O=C(O)C1CCNC2=C1C=NN2 Z4870337694 [0,0,0,1,0,1|2,0,0]=4 446 B13R2.5569 O=C(O)C1NCCC2=C1C=CO2 Z2678024886 [0,0,0,1,0,1|0,1,0]=3 447 B13R2.5569 O=C(O)C1NCCC2=C1C=CS2 Z979420372 [0,0,0,1,0,1|0,0,0]=2 448 B13R2.5569 O=C(O)C1NCCC2=C1N=CN2 Z5010675407 [0,0,0,1,0,1|2,0,0]=4 449 B13R2.5569 O=C(O)C1NCCC2=C1SC=C2 Z2738576691 [0,0,0,1,0,1|2,0,0]=4 450 B13R2.5569 O=C(O)C1SCCC2=C1C=CS2 Z1269763234 [0,0,0,1,0,1|0,0,0]=2 451 B13R2.436 O=C(O)C1CC(C1)N2C=CC=N2 Z3478957565 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.11 O=C1CC(CN1)C2=CC=C(S2)Br Z3006185117 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.2978 CC1=CC=C(S1)[C@@H]2C[C@H]2C(=O)O Z2242045784 [0,1,0,1,0,0|0,0,0]=2 454 B13R2.2978 CN1C=CC(=C1)[C@@H]2C[C@H]2C(=O)O Z2242032526 [0,1,0,1,0,0|2,0,0]=4 455 B13R2.2978 CN1C=CC(=N1)[C@@H]2C[C@H]2C(=O)O Z3037401456 [0,1,0,1,0,0|2,0,0]=4 456 B13R2.2978 O=C(O)[C@@H]1C[C@H]1C2=CC=C(S2)Cl Z2309898851 [0,1,0,1,0,0|0,0,0]=2 457 B13R2.2978 O=C(O)[C@@H]1C[C@H]1C2=CSC(=C2)Br Z2652000059 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.2978 O=C(O)[C@H]1C[C@@H]1C2=CSC(=C2)Br Z4485573429 [0,1,0,1,0,0|2,0,0]=4 459 B13R2.430 CC(=O)N1CCC2=C(C1)C=CS2 Z254532074 [0,1,0,1,0,0|2,0,0]=4 460 B13R2.430 O=C(O)C1CCC2=C(C1)C=NN2 Z1262531286 [0,1,0,1,0,0|2,0,0]=4 461 B13R2.430 O=C(O)C1CCC2=C(C1)N=CN2 Z1741975324 [0,1,0,1,0,0|2,0,0]=4 462 B13R2.430 O=C(O)C1CCC2=C(C1)N=CS2 Z1262557004 [0,1,0,1,0,0|1,0,0]=3 463 B13R2.430 O=C(O)C1CCC2=C(C1)SC=N2 Z2732585820 [0,1,0,1,0,0|2,0,0]=4 464 B13R2.430 O=C(O)C1CCC2=CC=NN2C1 Z1504686992 [0,1,0,1,0,0|2,0,0]=4 465 B13R2.430 O=C(O)C1CCC2=CN=CN2C1 Z2044769426 [0,1,0,1,0,0|2,0,0]=4 466 B13R2.430 O=C(O)C1CCC2=NC=CN2C1 Z871868026 [0,1,0,1,0,0|2,0,0]=4 467 B13R2.430 O=C(O)C1CCN2N=CC=C2C1 Z1504685260 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.3437 CC1=C(SC=C1)[C@@H]2C[C@H]2C(=O)O Z2327124592 [0,1,0,1,0,0|0,0,0]=2 469 B13R2.3437 CN1C=NC=C1[C@@H]2C[C@H]2C(=O)O Z2235585086 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.3437 CN1N=CC=C1[C@@H]2C[C@H]2C(=O)O Z2923961443 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.2296 O=C(CCl)[C@@H]1C[C@H]1C2=CC=CO2 Z4617523109 [0,1,0,1,0,0|1,1,0]=4 472 B13R2.2296 O=C(CCl)[C@@H]1C[C@H]1C2=CC=CS2 Z4766648962 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.13 CC(=O)NC1=CC=CS1 Z1198150448 [0,0,0,0,2,0|2,0,0]=4 474 B9R1.13 N=C(N)CC1=CC=CS1 Z1526503402 [0,0,0,0,2,0|2,0,0]=4 475 B9R1.13 NC(=O)CC1=CC=CN1 Z1203579730 [0,0,0,0,2,0|2,0,0]=4 476 B9R1.13 O=C(O)CC1=CC=CO1 Z1179936226 [0,0,0,0,2,0|0,1,0]=3 477 B9R1.13 O=C(O)CC1=CC=CS1 Z104473344 [0,0,0,0,2,0|0,0,0]=2 478 B9R1.13 O=C(O)CC1=CC=NO1 Z1205495543 [0,0,0,0,2,0|1,1,0]=4 479 B9R1.13 O=C(O)CC1=CN=CN1 Z2738358143 [0,0,0,0,2,0|2,0,0]=4 480 B9R1.13 O=C(O)CC1=CN=CS1 Z1198176810 [0,0,0,0,2,0|1,0,0]=3 481 B9R1.13 O=C(O)CC1=CN=NS1 Z1205495547 [0,0,0,0,2,0|2,0,0]=4 482 B9R1.13 O=C(O)CC1=CNC=C1 Z1154253211 [0,0,0,0,2,0|2,0,0]=4 483 B9R1.13 O=C(O)CC1=COC=C1 Z1179936188 [0,0,0,0,2,0|2,0,0]=4 484 B9R1.13 O=C(O)CC1=CSC=C1 Z56922167 [0,0,0,0,2,0|2,0,0]=4 485 B9R1.13 O=C(O)CC1=CSC=N1 Z800222640 [0,0,0,0,2,0|2,0,0]=4 486 B9R1.13 O=C(O)CC1=NC=CN1 Z2189284070 [0,0,0,0,2,0|2,0,0]=4 487 B9R1.13 O=C(O)CC1=NOC=C1 Z1198279888 [0,0,0,0,2,0|2,0,0]=4 488 B9R1.13 O=C(O)CC1=NSC=C1 Z1198313566 [0,0,0,0,2,0|2,0,0]=4 489 B9R1.13 O=C(O)CN1C=CC=C1 Z245326698 [0,0,0,0,2,0|2,0,0]=4 490 B9R1.13 O=C(O)CN1C=CC=N1 Z166653130 [0,0,0,0,2,0|2,0,0]=4 491 B9R1.13 O=C([O-])CC1=NC=CS1 Z2472857693 [0,0,0,0,2,0|1,0,1]=4 492 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [1,0,0,0,0,1|1,0,0]=3 493 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [1,0,0,0,0,1|2,0,0]=4 494 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [1,0,0,0,0,1|2,0,0]=4 495 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 Z820117496 [0,0,0,0,0,2|2,0,0]=4 496 B13R1.337 CC(=O)NCCCC1=CC=CC=C1 Z26437154 [0,0,0,0,0,2|2,0,0]=4 497 B13R1.337 NC(=O)CCCOC1=CC=CC=C1 Z33546386 [0,0,0,0,0,2|2,0,0]=4 498 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 Z53116260 [0,0,0,0,0,2|2,0,0]=4 499 B13R1.337 NC(=O)CCNCC1=CN=CC=C1 Z1706585640 [0,0,0,0,0,2|2,0,0]=4 500 B13R1.337 NC(=O)CCNCC1=NC=CC=N1 Z995101296 [0,0,0,0,0,2|2,0,0]=4 501 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 Z102924572 [0,0,0,0,0,2|2,0,0]=4 502 B13R1.337 NC(=O)NCCCC1=CC=CC=C1 Z198194892 [0,0,0,0,0,2|2,0,0]=4 503 B13R1.337 O=C(O)C#CCCC1=CC=CC=C1 Z1235951037 [0,0,0,0,0,2|1,0,1]=4 504 B13R1.337 O=C(O)CC/C=C/C1=CC=CC=C1 Z1222331031 [0,0,0,0,0,2|1,0,1]=4 505 B13R1.337 O=C(O)CCC#CC1=CC=CC=C1 Z1262510757 [0,0,0,0,0,2|1,0,1]=4 506 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 Z361415662 [0,0,0,0,0,2|1,0,0]=3 507 B13R1.337 O=C(O)CCCNC1=CC=CC=C1 Z445129480 [0,0,0,0,0,2|1,0,0]=3 508 B13R1.337 O=C(O)CCCNC1=NC=CC=N1 Z228589440 [0,0,0,0,0,2|1,0,0]=3 509 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 Z104496174 [0,0,0,0,0,2|1,0,0]=3 510 B13R1.337 O=C(O)CCCOC1=CN=CC=C1 Z927645802 [0,0,0,0,0,2|1,0,0]=3 511 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 Z56862233 [0,0,0,0,0,2|1,0,0]=3 512 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 Z335451288 [0,0,0,0,0,2|1,0,0]=3 513 B13R1.337 O=C(O)CCNCC1=CC=NC=C1 Z444311616 [0,0,0,0,0,2|1,0,0]=3 514 B13R1.337 O=C(O)CCNCC1=CN=CC=C1 Z1272739864 [0,0,0,0,0,2|1,0,0]=3 515 B13R1.337 O=C(O)CCNCC1=NC=CC=C1 Z444311590 [0,0,0,0,0,2|1,0,0]=3 516 B13R1.337 O=C(O)CCNCC1=NC=CC=N1 Z995103122 [0,0,0,0,0,2|1,0,0]=3 517 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 Z316258802 [0,0,0,0,0,2|1,0,0]=3 518 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 Z54671437 [0,0,0,0,0,2|1,0,0]=3 519 B13R1.337 O=C(O)CCSCC1=NC=CC=C1 Z295403834 [0,0,0,0,0,2|1,0,0]=3 520 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 Z1278590824 [0,0,0,0,0,2|1,0,0]=3 521 B13R1.337 O=C(O)COCCC1=CC=CC=C1 Z362795648 [0,0,0,0,0,2|1,0,0]=3 522 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 Z228588554 [0,0,0,0,0,2|1,0,0]=3 523 B13R1.343 NC(=O)CCCCSC1=CC=CS1 Z1222471381 [0,0,0,0,0,2|1,0,0]=3 524 B13R1.343 O=C(O)CCCCCC1=CC=CS1 Z424791116 [0,0,0,0,0,2|0,0,0]=2