0 B17R1.39 CC1=CC=C(C=C1)C(=O)NCCSCCCO Z1424443576 [0,0,0,0,0,0|4,0,0]=4 1 B17R1.39 CCCCCCCNC(C)C1=CC=C(C=C1)Br Z1948933644 [0,0,0,0,0,0|3,0,1]=4 2 B17R1.39 COCCNCCNC(=O)C1=CC=C(C=C1)F Z1561229562 [0,0,0,0,0,0|4,0,0]=4 3 B16R1.64 CCCCOCCOC(=O)C1=CN=CC=C1 Z743362616 [1,0,0,0,0,0|2,0,0]=3 4 B16R1.91 CCCCCCCC(=O)C1=CC=C(C=C1)O Z90124786 [1,0,0,0,0,0|0,0,0]=1 5 B16R1.91 CCCCCCNC(=O)C1=CN=C(C=C1)O Z241414290 [1,0,0,0,0,0|2,0,0]=3 6 B16R1.91 CCCCCCOC(=O)C1=CC=C(C=C1)N Z111685964 [1,0,0,0,0,0|1,0,0]=2 7 B16R1.91 CCOCCCNC(=O)C1=CC=C(C=C1)Cl Z32751294 [1,0,0,0,0,0|3,0,0]=4 8 B16R1.91 COCCCCCS(=O)C1=CC=C(C=C1)Br Z1449635681 [1,0,0,0,0,0|3,0,0]=4 9 B18R1.959 CC(C)CCOCCNC(=O)C1=CN=C(C=C1)O Z899875024 [0,1,0,0,0,0|3,0,0]=4 10 B18R1.1140 CCCCNC(=O)COC(=O)C1=CC=C(C=C1)I Z19776129 [0,1,0,0,0,0|2,0,1]=4 11 B18R1.1140 CCCCNC(=O)COC(=O)C1=CC=C(C=C1)O Z19674260 [0,1,0,0,0,0|1,0,1]=3 12 B18R1.7836 C#CCCCCCOC(=O)C1=CC(=C(C=C1)F)F Z1624336440 [0,1,0,0,0,0|1,0,2]=4 13 B18R1.7836 CC1=C(C=CC(=C1)C(=O)NCCCCCCN)O Z1946844978 [0,1,0,0,0,0|2,0,0]=3 14 B18R1.7836 CC1=C(C=CC(=C1)C(=O)NCCCCCCO)O Z1625677102 [0,1,0,0,0,0|2,0,0]=3 15 B18R1.7836 CCCCOCCNC(=O)C1=CC(=C(C=C1)O)C Z1625351907 [0,1,0,0,0,0|2,0,0]=3 16 B18R2.253 O=C(CCN1CCCCC1)C2=CC=C(C=C2)Cl Z3243687728 [0,0,0,1,0,0|3,0,0]=4 17 B18R2.253 O=C(CCN1CCCCC1)C2=CC=C(C=C2)F Z55879518 [0,0,0,1,0,0|3,0,0]=4 18 B18R2.253 O=C(NCC1CCCCC1)C2=CC=C(C=C2)O Z68235594 [0,0,0,1,0,0|1,0,0]=2 19 B18R2.253 O=C(NCC1CCCCC1)C2=CC=[N+](C=C2)[O-] Z32004923 [0,0,0,1,0,0|2,0,1]=4 20 B18R2.253 O=C(NCC1CCCCC1)C2=CN=C(C=C2)Cl Z32004510 [0,0,0,1,0,0|3,0,0]=4 21 B18R2.253 O=C(NCC1CCCCC1)C2=CN=C(C=C2)O Z32004818 [0,0,0,1,0,0|2,0,0]=3 22 B18R2.322 CCC1CCCCN1C(=O)C2=CN=C(C=C2)C Z252800048 [0,0,0,1,0,0|3,0,0]=4 23 B18R2.322 CCC1CCCCN1C(=O)C2=CNC(=O)C=C2 Z296640980 [0,0,0,1,0,0|2,0,1]=4 24 B18R2.322 NCC1CCCCN1C(=O)C2=CC=C(C=C2)F Z1456503549 [0,0,0,1,0,0|3,0,0]=4 25 B18R2.322 O=C(C1=CC=C(C=C1)I)N2CCCCC2CO Z276666898 [0,0,0,1,0,0|3,0,0]=4 26 B18R2.800 CO[C@H]1CCC[C@@H]1OC(=O)C2=NC=C(C=C2)F Z1700079346 [0,0,0,1,0,0|3,0,0]=4 27 B18R2.9044 O=C(NC[C@H]1CCC[C@@H]1O)C2=NC=C(C=C2)O Z3356526066 [0,0,0,1,0,0|3,0,0]=4 28 B18R2.9110 CC1=CC=C(C=C1)C(=O)NC2CCCCC2O Z979445410 [0,0,0,1,0,0|3,0,0]=4 29 B18R2.9110 CC1CCCCC1NC(=O)C2=CC=C(C=C2)Cl Z32972174 [0,0,0,1,0,0|2,0,0]=3 30 B18R2.9110 CC1CCCCC1NC(=O)C2=CC=C(C=C2)F Z32972171 [0,0,0,1,0,0|2,0,0]=3 31 B18R2.9110 CC1CCCCC1NC(=O)C2=CN=C(C=C2)Cl Z32972366 [0,0,0,1,0,0|3,0,0]=4 32 B18R2.9110 O=C(OC1CCCCC1=O)C2=CC=C(C=C2)Br Z19682647 [0,0,0,1,0,0|2,0,1]=4 33 B18R2.9270 CC1=CC=C(C=C1)C(=O)OCCC2OCCO2 Z1702947979 [0,0,0,1,0,0|3,0,0]=4 34 B18R2.9270 NC1=CC=C(C=C1)C(=O)NCCN2CCCC2 Z425845406 [0,0,0,1,0,0|3,0,0]=4 35 B18R2.9270 O=C(OCCC1CCCO1)C2=CN=C(C=C2)Cl Z1819557453 [0,0,0,1,0,0|3,0,0]=4 36 B18R2.93245 CC1CCCCCN1C(=O)C2=CC=C(C=C2)N Z1197898431 [0,0,0,1,0,0|2,0,0]=3 37 B18R2.93247 CC1=NC=C(C=C1)C(=O)N2CCCCCCC2 Z237860732 [0,0,0,1,0,0|3,0,0]=4 38 B18R2.93247 NC1=NC=C(C=C1)C(=O)N2CCCCCCC2 Z927412364 [0,0,0,1,0,0|3,0,0]=4 39 B18R2.93247 O=C(C1=CN=C(C=C1)O)N2CCCCCCC2 Z54226107 [0,0,0,1,0,0|2,0,0]=3 40 B18R2.93494 CC1=NC=C(C=C1)C(=O)NC2CCCCCC2 Z237760248 [0,0,0,1,0,0|3,0,0]=4 41 B18R2.93494 O=C(NC1CCCCCC1)C2=CC=C(C=C2)Cl Z32452102 [0,0,0,1,0,0|2,0,0]=3 42 B18R1.1136 CCCCCCCOC(=O)NC1=CC=C(C=C1)C Z56754735 [0,0,0,0,0,1|1,0,0]=2 43 B18R1.1136 CCOCCCCNC(=O)NC1=CC=C(C=C1)Br Z594296656 [0,0,0,0,0,1|3,0,0]=4 44 B15R1.12 CCCCNCCOC1=CC=C(C=C1)Br Z237479854 [2,0,0,0,0,0|2,0,0]=4 45 B15R1.12 CCCCNCCOC1=CC=C(C=C1)Cl Z237478608 [2,0,0,0,0,0|2,0,0]=4 46 B15R1.12 OCCCCCCOC1=CC=C(C=C1)Br Z1454502602 [2,0,0,0,0,0|2,0,0]=4 47 B15R1.30 CCOCCCC(=O)C1=CC=C(C=C1)F Z447807280 [2,0,0,0,0,0|2,0,0]=4 48 B17R1.754 CCCCOCCCNC(=O)C1=CN=CC=C1 Z32932015 [1,1,0,0,0,0|2,0,0]=4 49 B17R1.6947 C#CCCCCCOC(=O)C1=C(C=CC=C1)C Z1624336331 [1,1,0,0,0,0|0,0,2]=4 50 B17R1.9256 CCCCCCNC(=O)C1=CC=C(C=C1)C#N Z68250944 [1,1,0,0,0,0|2,0,0]=4 51 B19R1.998 CCCCCCCCOC(=O)NC1=CC=C(C=C1)C Z56754736 [0,1,0,0,0,1|1,0,0]=3 52 B19R1.314235 CCCCOCCCNC(=O)C1=C(C=C(C=C1)Cl)Cl Z32932048 [0,2,0,0,0,0|2,0,0]=4 53 B19R1.806 CC1=C(C=CC(=C1)C(=O)NCCCCOC(C)C)O Z1649111540 [0,2,0,0,0,0|2,0,0]=4 54 B17R2.1066 CCC1CCCCN1C(=O)C2=CC=NC=C2 Z31476206 [1,0,0,1,0,0|2,0,0]=4 55 B17R2.1066 CCC1CCCCN1C(=O)C2=CN=CC=C2 Z31476215 [1,0,0,1,0,0|2,0,0]=4 56 B17R2.2264 O=C(C1=CC=CC=C1)N2CCCCCCC2 Z54081852 [1,0,0,1,0,0|1,0,0]=3 57 B17R2.2264 O=C(C1=CC=NC=C1)N2CCCCCCC2 Z54081819 [1,0,0,1,0,0|2,0,0]=4 58 B17R2.2264 O=C(C1=CN=CC=C1)N2CCCCCCC2 Z54081823 [1,0,0,1,0,0|2,0,0]=4 59 B17R2.2342 O=C(CSC1CCCCC1)C2=CC=CC=C2 Z54624961 [1,0,0,1,0,0|2,0,0]=4 60 B17R2.2342 O=C(NCC1CCCCC1)C2=CC=NC=C2 Z32004310 [1,0,0,1,0,0|2,0,0]=4 61 B17R2.2342 O=C(NCC1CCCCC1)C2=CN=CC=C2 Z32004319 [1,0,0,1,0,0|2,0,0]=4 62 B17R2.2342 O=C(NCC1CCCCN1)C2=CC=CC=C2 Z234895871 [1,0,0,1,0,0|2,0,0]=4 63 B17R2.2342 O=C(NCC1CCCNC1)C2=CC=CC=C2 Z234895907 [1,0,0,1,0,0|2,0,0]=4 64 B17R2.2845 NCC1CCCC1NC(=O)C2=CC=CC=C2 Z1457499064 [1,0,0,1,0,0|2,0,0]=4 65 B17R2.3426 CC1CCCCC1NC(=O)C2=CC=NC=C2 Z32972166 [1,0,0,1,0,0|2,0,0]=4 66 B17R2.3426 CC1CCCCC1NC(=O)C2=CN=CC=C2 Z32972175 [1,0,0,1,0,0|2,0,0]=4 67 B17R2.3426 CC1CCCCC1NC(=O)C2=NC=CC=C2 Z32972092 [1,0,0,1,0,0|2,0,0]=4 68 B17R2.3426 CC1NCCCC1NC(=O)C2=CC=CC=C2 Z1878961372 [1,0,0,1,0,0|2,0,0]=4 69 B17R2.3426 N[C@@H]1CCCC[C@H]1NC(=O)C2=CC=CC=C2 Z2582383047 [1,0,0,1,0,0|2,0,0]=4 70 B17R2.3426 O=C(NC1CCCCC1O)C2=CC=CC=C2 Z979445402 [1,0,0,1,0,0|2,0,0]=4 71 B17R2.3426 O=C(N[C@@H]1CCCC[C@H]1O)C2=CC=CC=C2 Z1509165156 [1,0,0,1,0,0|2,0,0]=4 72 B17R2.3426 O=C(N[C@H]1CCCC[C@@H]1O)C2=CC=CC=C2 Z1509141209 [1,0,0,1,0,0|2,0,0]=4 73 B17R2.3426 O=C(OC1CCCCC1=O)C2=CC=CC=C2 Z19825599 [1,0,0,1,0,0|1,0,1]=4 74 B17R2.3519 CN1CCCC1CNC(=O)C2=CC=CC=C2 Z846311180 [1,0,0,1,0,0|2,0,0]=4 75 B17R2.45538 O=C(CC1CCCCCN1)C2=CC=CC=C2 Z1357774301 [1,0,0,1,0,0|2,0,0]=4 76 B17R2.45538 O=C(NC1CCCCCC1)C2=CC=NC=C2 Z32452094 [1,0,0,1,0,0|2,0,0]=4 77 B17R2.45538 O=C(NC1CCCCCC1)C2=CN=CC=C2 Z32452103 [1,0,0,1,0,0|2,0,0]=4 78 B17R2.45538 O=C(NC1CCCCCC1)C2=NC=CC=C2 Z32452020 [1,0,0,1,0,0|2,0,0]=4 79 B17R2.192 NC1=CC=C(C=C1)C(=O)NC2CCCCC2 Z57480136 [1,0,0,1,0,0|2,0,0]=4 80 B17R2.192 O=C(CN1CCCCC1)C2=CC=C(C=C2)F Z126931282 [1,0,0,1,0,0|2,0,0]=4 81 B17R2.192 O=C(NC1CCCCC1)C2=CC=C(C=C2)Cl Z31484246 [1,0,0,1,0,0|2,0,0]=4 82 B17R2.192 O=C(NC1CCCCC1)C2=CC=C(C=C2)F Z31484243 [1,0,0,1,0,0|2,0,0]=4 83 B17R2.192 O=C(NC1CCOCC1)C2=CC=C(C=C2)O Z440610086 [1,0,0,1,0,0|2,0,0]=4 84 B17R2.381 CC1CCCCN1C(=O)C2=CC=C(C=C2)N Z239124394 [1,0,0,1,0,0|2,0,0]=4 85 B17R2.3283 O=C(NCC1CCCC1)C2=CN=C(C=C2)O Z364601378 [1,0,0,1,0,0|2,0,0]=4 86 B17R2.56621 NC1=CC=C(C=C1)C(=O)N2CCCCCC2 Z111691300 [1,0,0,1,0,0|2,0,0]=4 87 B19R2.3576 COC1CCCC1OC(=O)CC2=CC=C(C=C2)F Z1181674298 [0,0,0,1,0,1|2,0,0]=4 88 B19R2.11857 O=C(CCC1CCCCC1)OC2=CC=C(C=C2)F Z28224436 [0,0,0,1,0,1|2,0,0]=4 89 B19R2.151823 O=C(CC1=CC=C(C=C1)O)NC2CCCCCC2 Z88305009 [0,0,0,1,0,1|1,0,0]=3 90 B19R2.3258 CCN1CCCC(C1)OC(=O)C2=CC=C(C=C2)Br Z26749925 [0,1,0,1,0,0|2,0,0]=4 91 B19R2.2751 CCCC1CNCCN1C(=O)C2=CC=C(C=C2)I Z2440778408 [0,1,0,1,0,0|2,0,0]=4 92 B19R2.4201 O=C(CCCN1CCCCC1)C2=CC=C(C=C2)F Z137503452 [0,1,0,1,0,0|2,0,0]=4 93 B19R2.4201 O=C(N/N=C/C1CCCCC1)C2=CC=C(C=C2)O Z49616103 [0,1,0,1,0,0|1,0,1]=4 94 B19R2.4201 O=C(NCCN1CCCCC1)C2=CC=C(C=C2)I Z422647636 [0,1,0,1,0,0|2,0,0]=4 95 B19R2.4201 O=C(OCCN1CCCCC1)C2=CC=C(C=C2)O Z252955710 [0,1,0,1,0,0|0,0,0]=2 96 B19R2.11956 CC1=CC=C(C=C1)C(=O)NCCSC2CCCC2 Z368099380 [0,1,0,1,0,0|2,0,0]=4 97 B19R2.11956 O=C(NCCSC1CCCC1)C2=CC=C(C=C2)F Z368099330 [0,1,0,1,0,0|2,0,0]=4 98 B19R2.11956 O=C(NCCSC1CCCC1)C2=CN=C(C=C2)O Z368099758 [0,1,0,1,0,0|2,0,0]=4 99 B19R2.12067 CN1CCCCC1CNC(=O)C2=CC=C(C=C2)F Z871866506 [0,1,0,1,0,0|2,0,0]=4 100 B19R2.13849 CCN1CCCC1CNC(=O)C2=CC=C(C=C2)Br Z29697518 [0,1,0,1,0,0|2,0,0]=4 101 B19R2.13849 CCN1CCCC1CNC(=O)C2=CC=C(C=C2)F Z68672346 [0,1,0,1,0,0|2,0,0]=4 102 B19R2.13849 CCN1CCCC1CNC(=O)C2=CC=C(C=C2)I Z29697529 [0,1,0,1,0,0|2,0,0]=4 103 B19R2.150147 O=C(NN=C1CCCCCC1)C2=CC=C(C=C2)O Z49615891 [0,1,0,1,0,0|1,0,1]=4 104 B19R2.11868 O=C(OCC(=O)N1CCCC1)C2=CC=C(C=C2)O Z19675172 [0,1,0,1,0,0|1,0,1]=4 105 B19R2.283 CN(CC1CCCCC1)C(=O)C2=CN=C(C=C2)O Z295727864 [0,1,0,1,0,0|2,0,0]=4 106 B19R2.60 COC1=CC=C(C=C1)C(=O)NCC2CCCCC2 Z32004348 [0,1,0,1,0,0|1,0,0]=3 107 B19R2.60 COC1=CC=C(C=C1)C(=O)OCC2CCCCO2 Z54070482 [0,1,0,1,0,0|1,0,0]=3 108 B19R2.60 COC1=NC=C(C=C1)C(=O)OCC2CCCCO2 Z210150458 [0,1,0,1,0,0|2,0,0]=4 109 B19R2.60 N#CC1=CC=C(C=C1)C(=O)NCC2CCCCC2 Z32004511 [0,1,0,1,0,0|2,0,0]=4 110 B19R2.60 O=C(OCC1CCCCC1)C2=CC=C(C=C2)CO Z25262755 [0,1,0,1,0,0|0,0,0]=2 111 B19R2.5003 CC1CCCCC1NC(=O)C2=CC=C(C=C2)C#N Z32972367 [0,1,0,1,0,0|2,0,0]=4 112 B19R2.5085 CCC1CCCCN1C(=O)C2=CC=C(C=C2)C#N Z31476407 [0,1,0,1,0,0|2,0,0]=4 113 B19R2.56163 COC1=NC=C(C=C1)C(=O)NC2CCCCCC2 Z168292894 [0,1,0,1,0,0|2,0,0]=4 114 B19R2.56163 N#CC1=CC=C(C=C1)C(=O)NC2CCCCCC2 Z32452295 [0,1,0,1,0,0|2,0,0]=4 115 B19R2.56360 N#CC1=CC=C(C=C1)C(=O)N2CCCCCCC2 Z54081671 [0,1,0,1,0,0|2,0,0]=4 116 B19R2.50024 CC1CCCCC1NC(=O)C2=CC(=C(C=C2)Cl)N Z240087624 [0,1,0,1,0,0|2,0,0]=4 117 B19R2.152365 O=C(C1=CC(=C(C=C1)O)Cl)N2CCCCCCC2 Z68419817 [0,1,0,1,0,0|1,0,0]=3 118 B19R2.152430 O=C(NC1CCCCCC1)C2=CC(=C(C=C2)O)Cl Z68336946 [0,1,0,1,0,0|1,0,0]=3 119 B19R2.4531 CC1=CC=C(C(=O)N1)C(=O)OCC2CCCCC2 Z764190684 [0,1,0,1,0,0|2,0,0]=4 120 B19R2.4531 O=C(CSC1CCCCC1)C2=C(C=C(C=C2)O)O Z54500757 [0,1,0,1,0,0|2,0,0]=4 121 B19R2.31196 CC1=C(C=CC(=C1)O)C(=O)NC2CCCC2CO Z1536975381 [0,1,0,1,0,0|2,0,0]=4 122 B19R2.506511 CC1=CC(=C(C=C1)C(=O)NC2CCCCCC2)O Z68336911 [0,1,0,1,0,0|2,0,0]=4 123 B19R2.506511 O=C(NC1CCCCCC1)C2=C(C=C(C=C2)F)Cl Z32452599 [0,1,0,1,0,0|2,0,0]=4 124 B19R2.506511 O=C(NC1CCCCCC1)C2=C(C=C(C=C2)F)I Z406464576 [0,1,0,1,0,0|2,0,0]=4