0 B18R2.2429 O=C(COC1=CC=CC=C1)NC2CCCCC2 R715263 [0,0,0,0,0,0|2,0,1]=3 1 B18R2.2429 O=C(NCC1=CC=CC=C1)NC2CCCCC2 S603481 [0,0,0,0,0,0|2,0,1]=3 2 B18R2.2429 O=C(NCC1=CC=CN=C1)NC2CCCCC2 S607959 [0,0,0,0,0,0|3,0,1]=4 3 B18R2.2429 O=C(NCC1=NC=CC=C1)NC2CCCCC2 R676276 [0,0,0,0,0,0|3,0,1]=4 4 B18R2.2429 S=C(NNC1=CC=CC=C1)NC2CCCCC2 S537063 [0,0,0,0,0,0|3,1,0]=4 5 B19R2.286 O=C(/C=C/C1=CC=C(C=C1)Cl)NC2CCCCC2 R292923 [0,1,0,0,0,0|1,0,0]=2 6 B19R2.286 O=C(NCC1=CC=C(C=C1)Cl)NC2CCCCC2 S900443 [0,1,0,0,0,0|2,0,1]=4 7 B19R2.4385 CC1CCCC(C1)NC(=O)COC2=CC=CC=C2 R467456 [0,1,0,0,0,0|2,0,1]=4 8 B19R2.4482 O=C(NCC1=C(C=CC=C1)Cl)NC2CCCCC2 L131393 [0,1,0,0,0,0|2,0,1]=4 9 B19R2.4485 CC1CCCCC1NC(=O)COC2=CC=CC=C2 R715328 [0,1,0,0,0,0|2,0,1]=4 10 B19R2.4485 O=C(COC1=CC=CC=C1)NC2CCCCC2O R344737 [0,1,0,0,0,0|2,0,1]=4 11 B19R2.7672 O=C(COC1=CC(=CC=C1)Cl)NC2CCCCC2 R510637 [0,1,0,0,0,0|2,0,1]=4 12 B19R2.7672 O=C(NCC1=CC=CC(=C1)Cl)NC2CCCCC2 S747025 [0,1,0,0,0,0|2,0,1]=4 13 B19R2.8924 CN(CC1=CC=CC=C1)C(=O)NC2CCCCC2 S899410 [0,1,0,0,0,0|2,0,1]=4 14 B19R2.8929 CC(NC(=O)NC1CCCCC1)C2=CC=CC=C2 R677396 [0,1,0,0,0,0|2,0,1]=4 15 B19R2.16158 CN(C(=O)/C=C/C1=CC=CC=C1)C2CCCCC2 S892491 [0,1,0,0,0,0|1,0,0]=2 16 B19R3.294 [C@H]12CCCC[C@H]1NC(=O)O[C@H]2C3=CC=CC=C3 PH016476 [0,0,0,1,0,0|2,0,1]=4 17 B17R2.143 O=C(CC1=CC=CC=C1)NC2CCCCC2 R131695 [0,0,0,0,1,0|1,0,1]=3 18 B17R2.143 O=C(NC1=CC=CC=C1)NC2CCCCC2 S591327 [0,0,0,0,1,0|2,0,0]=3 19 B17R2.143 O=C(NC1=CC=CC=C1)OC2CCCCC2 S586161 [0,0,0,0,1,0|1,0,0]=2 20 B17R2.143 O=C(NC1=CC=CC=N1)NC2CCCCC2 S844209 [0,0,0,0,1,0|3,0,0]=4 21 B17R2.143 O=C(NC1=CC=NC=C1)NC2CCCCC2 R676950 [0,0,0,0,1,0|3,0,0]=4 22 B17R2.143 O=C(NC1CCCCC1)OC2=CC=CC=C2 S859621 [0,0,0,0,1,0|2,0,0]=3 23 B17R2.143 S=C(CC1=CC=CC=C1)NC2CCCCC2 S510122 [0,0,0,0,1,0|1,1,1]=4 24 B17R2.143 S=C(NC1=CC=CC=C1)NC2CCCCC2 S599220 [0,0,0,0,1,0|2,1,0]=4 25 B17R2.2342 O=C(/C=C/C1=CC=CC=C1)N2CCCCC2 PH000216 [0,0,0,0,1,0|1,0,0]=2 26 B17R2.2342 O=C(CCC1=CC=CC=C1)C2CCCNC2 CBR01899 [0,0,0,0,1,0|1,0,2]=4 27 B17R2.2342 O=C(NCC1=CC=CC=C1)C2CCCCC2 R676608 [0,0,0,0,1,0|1,0,1]=3 28 B17R2.2342 O=C(NCC1=CC=CC=N1)C2CCCCC2 R677078 [0,0,0,0,1,0|2,0,1]=4 29 B17R2.2342 O=C(NCC1=CC=CN=C1)C2CCCCC2 R676624 [0,0,0,0,1,0|2,0,1]=4 30 B17R2.2342 O=C(OCC1=CC=CC=C1)C2CCNCC2 PH016214 [0,0,0,0,1,0|2,0,1]=4 31 B17R2.2342 O=C(SCC1=CC=CC=C1)N2CCCCC2 PH008716 [0,0,0,0,1,0|2,0,1]=4 32 B19R2.8900 O=C(NCCC1=CC=CC=C1)NC2CCCCC2 R676241 [0,0,0,0,0,1|1,0,2]=4 33 B19R2.8900 S=C(N/N=C/C1=CC=CC=C1)NC2CCCCC2 R937657 [0,0,0,0,0,1|2,1,0]=4 34 B19R2.16162 O=C(COC1=CC=CC=C1)NCC2CCCCC2 R715255 [0,0,0,0,0,1|2,0,1]=4 35 B16R1.688 CCCCCCC(=O)NCC1=CC=CC=C1 L173312 [1,0,1,0,0,0|1,0,1]=4 36 B16R1.7289 CCC(CO)NC(=O)/C=C/C1=CC=CC=C1 R645532 [1,0,1,0,0,0|2,0,0]=4 37 B18R2.266 CC1=CC=C(C=C1)NC(=O)NC2CCCCC2 S613584 [0,1,0,0,1,0|2,0,0]=4 38 B18R2.266 CC1=CC=C(C=C1)NC(=O)OC2CCCCC2 S613282 [0,1,0,0,1,0|1,0,0]=3 39 B18R2.266 CC1=CC=C(C=C1)OC(=O)NC2CCCCC2 S743119 [0,1,0,0,1,0|2,0,0]=4 40 B18R2.266 O=C(NC1=CC=C(C=C1)Br)OC2CCCCC2 S667269 [0,1,0,0,1,0|1,0,0]=3 41 B18R2.266 O=C(NC1=CC=C(C=C1)Br)ON2CCCCC2 S673633 [0,1,0,0,1,0|2,0,0]=4 42 B18R2.266 O=C(NC1=CC=C(C=C1)Cl)NC2CCCCC2 S279730 [0,1,0,0,1,0|2,0,0]=4 43 B18R2.266 O=C(NC1=CC=C(C=C1)Cl)NC2CCCCC2 S591394 [0,1,0,0,1,0|2,0,0]=4 44 B18R2.266 O=C(NC1=CC=C(C=C1)Cl)OC2CCCCC2 S591440 [0,1,0,0,1,0|1,0,0]=3 45 B18R2.266 O=C(NC1=CC=C(C=C1)F)NC2CCCCC2 S715034 [0,1,0,0,1,0|2,0,0]=4 46 B18R2.266 O=C(NC1=CC=C(C=C1)F)OC2CCCCC2 S601845 [0,1,0,0,1,0|1,0,0]=3 47 B18R2.266 O=C(NC1=CC=C(C=C1)O)NC2CCCCC2 R676284 [0,1,0,0,1,0|2,0,0]=4 48 B18R2.3983 CC1=C(C=CC=C1)NC(=O)NC2CCCCC2 S640255 [0,1,0,0,1,0|2,0,0]=4 49 B18R2.3983 CC1=C(C=CC=C1)NC(=O)OC2CCCCC2 S606561 [0,1,0,0,1,0|1,0,0]=3 50 B18R2.3983 CC1CCCCC1OC(=O)NC2=CC=CC=C2 S714747 [0,1,0,0,1,0|1,0,0]=3 51 B18R2.3983 O=C(CC1=CC=CC=C1)NC2CCCCC2Br R738867 [0,1,0,0,1,0|1,0,1]=4 52 B18R2.3983 O=C(CC1=CC=CC=C1)NC2CCCCC2Cl R738646 [0,1,0,0,1,0|1,0,1]=4 53 B18R2.3983 O=C(NC1=C(C=CC=C1)Cl)OC2CCCCC2 S637998 [0,1,0,0,1,0|1,0,0]=3 54 B18R2.3983 O=C(NC1=CC=CC=C1Cl)NC2CCCCC2 S644382 [0,1,0,0,1,0|2,0,0]=4 55 B18R2.3983 O=C(NC1=CC=CC=C1O)NC2CCCCC2 R676977 [0,1,0,0,1,0|2,0,0]=4 56 B18R2.6478 CC1=CC=CC(=C1)NC(=O)NC2CCCCC2 S606898 [0,1,0,0,1,0|2,0,0]=4 57 B18R2.6478 CC1=CC=CC(=C1)NC(=O)OC2CCCCC2 S606774 [0,1,0,0,1,0|1,0,0]=3 58 B18R2.6478 CC1CCCC(C1)NC(=O)NC2=CC=CC=C2 R467243 [0,1,0,0,1,0|2,0,0]=4 59 B18R2.6478 O=C(NC1=CC(=CC=C1)Cl)OC2CCCCC2 S609536 [0,1,0,0,1,0|1,0,0]=3 60 B18R2.6478 O=C(NC1=CC=CC(=C1)Cl)NC2CCCCC2 S611077 [0,1,0,0,1,0|2,0,0]=4 61 B18R2.6478 O=C(NC1=CC=CC(=C1)O)NC2CCCCC2 R715182 [0,1,0,0,1,0|2,0,0]=4 62 B18R2.7204 CN(C(=O)NC1=CC=CC=C1)C2CCCCC2 S606669 [0,1,0,0,1,0|2,0,0]=4 63 B18R2.253 [C@@H]1(CC[C@H](CC1)C(=O)OCC2=CC=CC=C2)N VBP00256 [0,1,0,0,1,0|1,0,1]=4 64 B18R2.257 O=C(/C=C/C1=CC=C(C=C1)Cl)N2CCCCC2 R639206 [0,1,0,0,1,0|1,0,0]=3 65 B18R2.257 O=C(/C=C/C1=CC=C(C=C1)F)N2CCOCC2 T103268 [0,1,0,0,1,0|2,0,0]=4 66 B18R2.257 O=C(NCC1=CC=C(C=C1)Cl)C2CCCCC2 R676705 [0,1,0,0,1,0|1,0,1]=4 67 B18R2.3634 C/C(=C\C(=O)N1CCCCC1)/C2=CC=CC=C2 PH007021 [0,1,0,0,1,0|1,0,0]=3 68 B18R2.3634 CC(NC(=O)C1CCCCC1)C2=CC=CC=C2 R676292 [0,1,0,0,1,0|1,0,1]=4 69 B18R2.6467 O=C(/C=C/C1=CC=CC(=C1)F)N2CCCCC2 T117765 [0,1,0,0,1,0|1,0,0]=3 70 B20R2.6651 O=C(/C=C/C1=CC=CC=C1Cl)CCN2CCCCC2 PH012013 [0,1,0,0,0,1|2,0,0]=4 71 B20R2.19350 COC1=CC=CC(=C1)/C=C/C(=O)NC2CCCCC2 R129968 [0,2,0,0,0,0|1,0,0]=3 72 B18R3.182 O=C1OC2CCCCC2C1C3=CC=CC=C3 PH007674 [0,0,0,1,1,0|0,0,1]=3 73 B18R3.12875 C1=CC2=C(C=C1)SC(=N2)OC3CCCCC3 R345369 [0,0,0,1,1,0|1,1,0]=4 74 B18R3.11551 O=C1OC(=C2C1CCCC2)C3=CC=CC=C3 T322482 [0,0,0,1,1,0|1,0,1]=4 75 B18R3.589435 O=C1/C(=C\C2=CC=CC=C2)/N3CCC1CC3 PH007802 [0,0,0,1,1,0|1,0,0]=3 76 B18R3.589435 O=C1/C(=C\C2=CC=NC=C2)/N3CCC1CC3 R112704 [0,0,0,1,1,0|2,0,0]=4 77 B20R3.142237 BrC1=CC2=C(C=C1)C=C(C=C2)OC3CCCCO3 S837121 [0,1,0,1,0,0|2,0,0]=4 78 B16R2.88 O=C(CC1=CC=CC=C1)C2CCCNC2 CBR01273 [0,0,0,0,2,0|1,0,1]=4 79 B16R2.88 O=C(CC1=CC=CC=C1)C2CCCNC2 PH015225 [0,0,0,0,2,0|1,0,1]=4 80 B16R2.88 O=C(CN1CCCCC1)C2=CC=CC=C2 OTV000838 [0,0,0,0,2,0|2,0,0]=4 81 B16R2.88 O=C(CN1CCCCC1)C2=CC=CC=C2 PH010006 [0,0,0,0,2,0|2,0,0]=4 82 B16R2.88 O=C(NC1=CC=CC=C1)C2CCCNC2 T323683 [0,0,0,0,2,0|2,0,0]=4 83 B16R2.88 O=C(NC1=CC=CC=C1)C2CCNCC2 T323837 [0,0,0,0,2,0|2,0,0]=4 84 B16R2.88 O=C(NC1=CC=CC=C1)N2CCCCC2 T313726 [0,0,0,0,2,0|2,0,0]=4 85 B16R2.88 O=C(NC1=CC=CC=N1)C2CCCCC2 R677027 [0,0,0,0,2,0|2,0,0]=4 86 B16R2.88 O=C(NC1=CC=CN=C1)C2CCCCC2 T323829 [0,0,0,0,2,0|2,0,0]=4 87 B16R2.88 O=C(NC1=CC=NC=C1)C2CCCCC2 R676721 [0,0,0,0,2,0|2,0,0]=4 88 B16R2.88 O=C(NC1CCCCC1)C2=CC=CC=C2 R531332 [0,0,0,0,2,0|1,0,0]=3 89 B16R2.88 O=C(NC1CCCCC1)C2=CC=CN=C2 T316156 [0,0,0,0,2,0|2,0,0]=4 90 B16R2.88 O=C(NC1CCCCO1)C2=CC=CC=C2 S732702 [0,0,0,0,2,0|2,0,0]=4 91 B16R2.88 O=C(NN1CCCCC1)C2=CC=CC=C2 PH007168 [0,0,0,0,2,0|2,0,0]=4 92 B16R2.88 O=C(OC1=CC=CC=C1)N2CCCCC2 S642304 [0,0,0,0,2,0|2,0,0]=4 93 B16R2.88 O=C(OC1C=CCCC1)C2=CC=CC=C2 R260533 [0,0,0,0,2,0|0,0,2]=4 94 B16R2.88 O=C(OC1COCCO1)C2=CC=CC=C2 S25233 [0,0,0,0,2,0|2,0,0]=4 95 B16R2.88 O=C(OC1COCOC1)C2=CC=CC=C2 PH008559 [0,0,0,0,2,0|2,0,0]=4 96 B16R2.524 O=C(CC1=CC=CC=C1)NC2CCCC2 R131709 [0,0,0,0,2,0|1,0,1]=4 97 B16R2.524 O=C(NC1=CC=CC=C1)OC2CCCC2 S867233 [0,0,0,0,2,0|1,0,0]=3 98 B16R2.2238 O=C(/C=C/C1=CC=CC=C1)N2CCCC2 R410365 [0,0,0,0,2,0|1,0,0]=3