0 B16R1.18213 CC(=O)NNC(=S)NCCC1=CC=CC=C1 Z33112642 [0,0,0,0,0,0|3,1,0]=4 1 B16R1.18213 O=C(O)/C=C/C(=O)NCCC1=CCCCC1 Z57402851 [0,0,0,0,0,0|0,0,4]=4 2 B16R1.18213 O=C(O)CCC(=O)NCCC1=CC=CC=C1 Z57432391 [0,0,0,0,0,0|0,0,2]=2 3 B15R1.157 CC/C=C/C(=O)NCCC1=NC=CC=C1 Z361224700 [1,0,0,0,0,0|2,0,1]=4 4 B15R1.504 O=C(O)CCCNCCC1=CC=CC=C1 Z600428434 [1,0,0,0,0,0|0,0,3]=4 5 B17R1.1143 CC(=O)NCC(=O)NCCC1=CC=C(C=C1)O Z728882324 [0,1,0,0,0,0|2,0,1]=4 6 B17R1.1143 CC1=CC=C(C=C1)CCCC(=O)NCC(=O)O Z1443699104 [0,1,0,0,0,0|2,0,1]=4 7 B17R1.1327 CC(CNC(=O)CCC(=O)[O-])C1=CC=CC=C1 Z3681784249 [0,1,0,0,0,0|0,0,3]=4 8 B17R1.1327 O=C(O)CCC(=O)NCC(=O)C1=CC=CC=C1 Z825792280 [0,1,0,0,0,0|0,0,3]=4 9 B17R1.14436 CC(=O)NCC(=O)NCCC1=CC(=CC=C1)Cl Z220954662 [0,1,0,0,0,0|2,0,1]=4 10 B17R1.16318 CC(=O)NC(C)C(=O)NCCC1=CC=CC=C1 Z31486225 [0,1,0,0,0,0|2,0,1]=4 11 B17R1.26833 C=CC(=O)NCC(=O)NCCC1=CC=CC=C1 Z3707865079 [0,1,0,0,0,0|2,0,1]=4 12 B17R1.26833 COC(=O)NNC(=S)NCCC1=CC=CC=C1 Z45826772 [0,1,0,0,0,0|2,1,0]=4 13 B17R2.216 ClC1=NN=C(C=C1)NCCC2=CC=CC=C2 Z359300608 [0,0,0,1,0,0|3,0,0]=4 14 B17R2.216 NC1=CC=C(C=C1)NCCC2=CC=CC=C2 Z56783552 [0,0,0,1,0,0|3,0,0]=4 15 B17R2.216 OC1=CC=C(C=C1)NCCC2=CC=CC=C2 Z1250092420 [0,0,0,1,0,0|2,0,0]=3 16 B17R2.216 OC1=CC=C(C=C1)OCCC2=CC=CC=C2 Z381414712 [0,0,0,1,0,0|3,0,0]=4 17 B17R2.877 O=C(O)/C=C/C(=O)N1CCC2=C1C=CC=C2 Z56176711 [0,0,0,1,0,0|0,0,0]=1 18 B17R2.877 O=C(O)CCC(=O)N1CCC2=C1C=CC=C2 Z56176976 [0,0,0,1,0,0|0,0,2]=3 19 B17R2.3350 O=C(O)C1=CC(=CN1CC2=CC=CC=C2)Cl Z285923218 [0,0,0,1,0,0|3,0,0]=4 20 B17R2.5365 O=C1C=CC(=CN1CCC2=CC=CC=C2)F Z1822536883 [0,0,0,1,0,0|2,0,0]=3 21 B17R2.20002 O=C(O)CN1C(=O)CCCC2=C1C=CC=C2 Z385459994 [0,0,0,1,0,0|2,0,1]=4 22 B15R1.5919 O=C(O)/C=C/C(=O)NCC1=CC=NC=C1 Z275150350 [0,0,0,0,1,0|1,0,0]=2 23 B15R1.5919 O=C(O)/C=C/C(=O)NCC1=CN=CC=C1 Z57098226 [0,0,0,0,1,0|1,0,0]=2 24 B15R1.5919 O=C(O)CNC(=O)CCC1=CC=CC=C1 Z85886717 [0,0,0,0,1,0|1,0,1]=3 25 B15R1.5919 O=C(O)CNC(=O)COC1=CC=CC=C1 Z57044269 [0,0,0,0,1,0|2,0,1]=4 26 B15R1.5919 O=C(O)CNC(=O)OCC1=CC=CC=C1 Z285919546 [0,0,0,0,1,0|2,0,1]=4 27 B15R1.5919 O=C(O)CNC(=S)NCC1=CC=CC=C1 Z56799653 [0,0,0,0,1,0|1,1,1]=4 28 B15R1.9084 C/C(=C/C(=O)NCCC1=NC=CC=C1)/Cl Z2690312540 [0,0,0,0,1,0|3,0,0]=4 29 B15R1.9084 CC(=CC(=O)NCCC1=NC=CC=C1)C Z32446550 [0,0,0,0,1,0|3,0,0]=4 30 B15R1.9084 CC(=O)CC(=O)NCCC1=CC=CC=C1 Z57515162 [0,0,0,0,1,0|1,0,1]=3 31 B17R1.16611 CC(=O)NCCC(=O)NCCC1=CC=CC=C1 Z27761445 [0,0,0,0,0,1|1,0,2]=4 32 B17R1.16611 O=C(O)CCNC(=O)CCCC1=CC=CC=C1 Z361890768 [0,0,0,0,0,1|1,0,2]=4 33 B17R1.16611 O=C([O-])CCCC(=O)NCCC1=CC=CC=C1 Z4338758119 [0,0,0,0,0,1|0,0,3]=4 34 B17R1.16611 O=C([O-])CSCC(=O)NCCC1=CC=CC=C1 Z4873272137 [0,0,0,0,0,1|0,0,3]=4 35 B14R1.520 C/C=C/C(=O)NCCC1=NC=CC=C1 Z32446232 [2,0,0,0,0,0|1,0,1]=4 36 B16R1.400 O=C(O)CNC(=O)CCC1=C(C=CC=C1)Br Z1443700347 [0,1,0,0,1,0|1,0,1]=4 37 B16R1.1061 CC1=CC=C(C=C1)CNC(=O)NCC(=O)O Z223125792 [0,1,0,0,1,0|1,0,1]=4 38 B16R1.1061 O=C(O)CNC(=O)CCC1=CC=C(C=C1)Br Z1455022879 [0,1,0,0,1,0|1,0,1]=4 39 B16R1.1061 O=C(O)CNC(=O)CCC1=CC=C(C=C1)O Z2182042921 [0,1,0,0,1,0|1,0,1]=4 40 B16R1.1061 O=C(O)CNC(=O)NCC1=CC=C(C=C1)Cl Z223125650 [0,1,0,0,1,0|1,0,1]=4 41 B16R1.1061 O=C(O)CNC(=O)NCC1=CC=C(C=C1)F Z223125984 [0,1,0,0,1,0|1,0,1]=4 42 B16R1.1284 CN(CC1=CC=CC=C1)C(=O)/C=C/C(=O)O Z55992921 [0,1,0,0,1,0|0,0,0]=2 43 B16R1.1343 COC(=O)CCC(=O)NCC1=CC=CC=C1 Z57201893 [0,1,0,0,1,0|0,0,2]=4 44 B16R1.7611 CC(NC(=O)CCC(=O)O)C1=CC=CC=C1 Z90312813 [0,1,0,0,1,0|0,0,2]=4 45 B16R1.289 CC(=CC(=O)NCCC1=C(C=CC=C1)Br)C Z952017942 [0,1,0,0,1,0|2,0,0]=4 46 B16R1.289 CC(=CC(=O)NCCC1=C(C=CC=C1)C)C Z52339144 [0,1,0,0,1,0|2,0,0]=4 47 B16R1.289 CC1=C(C=CC=C1)CCNC(=O)CC(=O)N Z1250813988 [0,1,0,0,1,0|1,0,1]=4 48 B18R1.21106 CC(/C=C/C(=O)O)NC(=O)CCC1=CC=CC=C1 Z3027664000 [0,1,0,0,0,1|1,0,1]=4 49 B18R1.32395 O=C(O)CSCC(=O)NCCC1=CC=C(C=C1)O Z1665386028 [0,1,0,0,0,1|0,0,2]=4 50 B18R1.972 O=C(O)/C=C/C(=O)NNC(=O)C1=CC=C(C=C1)O Z56851885 [0,2,0,0,0,0|1,0,1]=4 51 B18R1.34040 COC(=O)CNC(=O)NCCC1=C(C=CC=C1)Br Z951629586 [0,2,0,0,0,0|1,0,1]=4 52 B18R1.2149 COC(=O)C(C)CC(=O)NCCC1=CC=CC=C1 Z1424546604 [0,2,0,0,0,0|0,0,2]=4 53 B16R2.71 O=C1C=CC=CN1CCC2=CC=CC=C2 Z1478404452 [1,0,0,1,0,0|1,0,0]=3 54 B16R2.317 O=C1C=CC(=O)N(N1)CC2=CC=CC=C2 Z57347465 [1,0,0,1,0,0|1,0,0]=3 55 B16R2.2256 C1=CC=C(C=C1)CCNC2=CC=CC=C2 Z266463162 [1,0,0,1,0,0|2,0,0]=4 56 B16R2.2948 CC1=CC=C(N1CCC2=CC=CC=C2)C Z55891982 [1,0,0,1,0,0|2,0,0]=4 57 B16R2.2948 O=C1C=CC(=O)N1CCC2=CC=CC=C2 Z56891282 [1,0,0,1,0,0|0,0,0]=2 58 B16R2.2948 O=C1CNC(=O)N1CCC2=CC=CC=C2 Z649990548 [1,0,0,1,0,0|1,0,1]=4 59 B16R2.464 O=C(O)C1=CC=CN1CC2=CC=CC=C2 Z235352163 [1,0,0,1,0,0|2,0,0]=4 60 B16R2.464 O=C(O)C1=CC=NN1CC2=CC=CC=C2 Z1230012814 [1,0,0,1,0,0|1,0,1]=4 61 B16R2.333 O=C(O)CN1C(=O)CCC2=C1C=CC=C2 Z271097322 [0,0,0,1,1,0|1,0,1]=4 62 B16R2.477 O=C(O)/C=C/C1=CC2=C(C=CC=C2)OC1 Z111874912 [0,0,0,1,1,0|2,0,0]=4 63 B16R2.249076 O=C(O)CNC(=O)C1CC2=C1C=CC=C2 Z1274556121 [0,0,0,1,1,0|1,0,1]=4 64 B18R2.2459307 O=C(O)/C=C/C(=O)N1CCCC2=C1C=CC=C2 Z55148596 [0,0,0,1,0,1|0,0,0]=2 65 B18R2.2459307 O=C(O)CCC(=O)N1CCOC2=C1C=CC=C2 Z234897321 [0,0,0,1,0,1|0,0,2]=4 66 B18R2.2459307 O=C(O)CCC(=O)N1CCSC2=C1C=CC=C2 Z56177119 [0,0,0,1,0,1|0,0,2]=4 67 B18R2.3732 CC1=CC=C(O1)C(=O)NCCC2=CC=CC=C2 Z27760291 [0,0,0,1,0,1|1,0,0]=3 68 B18R2.3732 CC1=CC=C(O1)C(=O)NCCC2=NC=CC=C2 Z32446767 [0,0,0,1,0,1|2,0,0]=4 69 B18R2.3732 O=C(NCCC1=CC=CC=C1)C2=CC(=CN2)Br Z99082386 [0,0,0,1,0,1|2,0,0]=4 70 B18R2.3732 O=C(NCCC1=CN=CC=C1)C2=CC=C(O2)Br Z285123838 [0,0,0,1,0,1|2,0,0]=4 71 B18R2.3732 O=C(NCCC1=CN=CC=C1)C2=CC=C(O2)Cl Z296588342 [0,0,0,1,0,1|2,0,0]=4 72 B18R2.3732 O=C(NOCC1=CC=CC=C1)C2=CC=C(O2)Br Z101951492 [0,0,0,1,0,1|2,0,0]=4 73 B18R2.3732 O=C1NC(=CS1)C(=O)NCCC2=NC=CC=C2 Z1715200432 [0,0,0,1,0,1|2,0,0]=4 74 B18R2.9254 CC1=CC=C(C=C1)CCN2C=C(C=CC2=O)F Z1822537154 [0,1,0,1,0,0|2,0,0]=4 75 B18R2.14644 O=C(O)CNC(=O)N1CCC2=C(C1)C=CC=C2 Z424782084 [0,1,0,1,0,0|1,0,1]=4 76 B18R2.58774 O=C(O)C1CC(=O)N(C1)CCC2=CC=CC=C2 Z56968741 [0,1,0,1,0,0|0,0,2]=4 77 B18R2.61 COC1=CC=C(C=C1)NCCC2=CC=CC=C2 Z266490680 [0,1,0,1,0,0|2,0,0]=4 78 B18R2.10039 COC(=O)CCC(=O)N1CCC2=C1C=CC=C2 Z56968127 [0,1,0,1,0,0|0,0,2]=4 79 B14R1.422 O=C(O)CCNCCC1=CC=CC=C1 Z1270173016 [1,0,0,0,1,0|0,0,2]=4 80 B14R1.423 O=C(O)/C=C/C(=O)NC1=CC=CC=C1 Z56176633 [0,0,0,0,2,0|0,0,0]=2 81 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 Z56176896 [0,0,0,0,2,0|0,0,2]=4 82 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 Z56963417 [0,0,0,0,2,0|1,0,1]=4 83 B14R1.423 O=C(O)CNC(=O)NC1=CC=CC=C1 Z56760696 [0,0,0,0,2,0|1,0,1]=4 84 B14R1.818 C/C(=C\C(=O)O)/CCC1=CC=CC=C1 Z352748426 [0,0,0,0,2,0|1,0,0]=3 85 B14R1.6449 CC(O)C(=O)NCCC1=CC=CC=C1 Z1251361749 [0,0,0,0,2,0|1,0,1]=4 86 B14R1.6454 O=C(O)CC(=O)NCCC1=CC=CS1 Z963468172 [0,0,0,0,2,0|1,0,1]=4