0 B15R1.1035 CCCCC/C(=C\C1=CC=CC=C1)/CO S528129 [0,0,0,0,0,0|0,0,2]=2 1 B14R1.158 CCCCCC(=O)OC1=CC=CC=C1 S657891 [1,0,0,0,0,0|1,0,0]=2 2 B14R1.158 CCCCNC(=O)CC1=CC=CC=C1 R371467 [1,0,0,0,0,0|1,0,1]=3 3 B14R1.158 CCCCNC(=O)NC1=CC=CC=C1 S591246 [1,0,0,0,0,0|2,0,0]=3 4 B14R1.158 CCCCNC(=S)NC1=CC=CC=C1 S520969 [1,0,0,0,0,0|2,1,0]=4 5 B14R1.158 CCCCOC(=O)NC1=CC=CC=C1 S586366 [1,0,0,0,0,0|2,0,0]=3 6 B14R1.158 CCCCSC(=O)NC1=CC=CC=C1 S644005 [1,0,0,0,0,0|2,0,0]=3 7 B14R1.158 CCCCSC(=S)NC1=CC=CC=C1 PH011582 [1,0,0,0,0,0|2,1,0]=4 8 B14R1.158 CCCONC(=O)NC1=CC=CC=C1 R452696 [1,0,0,0,0,0|3,0,0]=4 9 B14R1.158 COCCNC(=O)NC1=CC=CC=C1 S610704 [1,0,0,0,0,0|3,0,0]=4 10 B14R1.158 COCCOC(=O)NC1=CC=CC=C1 S644072 [1,0,0,0,0,0|3,0,0]=4 11 B14R1.158 NCCCCC(=O)NC1=CC=NC=C1 R646067 [1,0,0,0,0,0|3,0,0]=4 12 B16R2.35 CC1CCC/C(=C\C2=CC=CC=C2)/C1=O T288659 [0,0,0,1,0,0|0,0,0]=1 13 B16R2.69 O=C1CCCCCN1CC2=CC=CC=C2 PH004969 [0,0,0,1,0,0|1,0,1]=3 14 B16R2.112 COCCN1C2=CC=CC=C2N=C1C=O PH019328 [0,0,0,1,0,0|3,0,0]=4 15 B13R1.28 CCCCC/N=C\C1=CC=CC=C1 PH008433 [2,0,0,0,0,0|1,0,0]=3 16 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 S591378 [2,0,0,0,0,0|2,0,0]=4 17 B13R1.44 CCCSC(=O)NC1=CC=CC=C1 S643947 [2,0,0,0,0,0|2,0,0]=4 18 B13R1.44 O=C(CCCCl)OC1=CC=CC=C1 S354538 [2,0,0,0,0,0|2,0,0]=4 19 B15R1.83 CCCCCOC(=O)NC1=CC=CC=C1 S589993 [1,1,0,0,0,0|1,0,0]=3 20 B15R1.83 CCCCONC(=O)NC1=CC=CC=C1 R270873 [1,1,0,0,0,0|2,0,0]=4 21 B15R1.83 CCOCCOC(=O)NC1=CC=CC=C1 S624349 [1,1,0,0,0,0|2,0,0]=4 22 B15R1.83 COCCCNC(=O)NC1=CC=CC=C1 PH009544 [1,1,0,0,0,0|2,0,0]=4 23 B15R1.93 CCCCNC(=O)N(C)C1=CC=CC=C1 S603449 [1,1,0,0,0,0|2,0,0]=4 24 B15R1.93 CCCCOC(=O)C(O)C1=CC=CC=C1 PH015120 [1,1,0,0,0,0|1,0,1]=4 25 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)Br S665681 [1,1,0,0,0,0|2,0,0]=4 26 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)C S613096 [1,1,0,0,0,0|2,0,0]=4 27 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)Cl S279692 [1,1,0,0,0,0|2,0,0]=4 28 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)Cl S591416 [1,1,0,0,0,0|2,0,0]=4 29 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)F S601691 [1,1,0,0,0,0|2,0,0]=4 30 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)O S562416 [1,1,0,0,0,0|2,0,0]=4 31 B15R1.128 CCCCNC(=O)SC1=CC=C(C=C1)O S727954 [1,1,0,0,0,0|2,0,0]=4 32 B15R1.128 CCCCOC(=O)NC1=CC=C(C=C1)Br S594075 [1,1,0,0,0,0|2,0,0]=4 33 B15R1.128 CCCCOC(=O)NC1=CC=C(C=C1)C S643815 [1,1,0,0,0,0|2,0,0]=4 34 B15R1.128 CCCCOC(=O)NC1=CC=C(C=C1)Cl S586404 [1,1,0,0,0,0|2,0,0]=4 35 B15R1.128 CCCCSC(=O)NC1=CC=C(C=C1)Br S595802 [1,1,0,0,0,0|2,0,0]=4 36 B15R1.129 CCCCNC(=O)NC1=CC(=CC=C1)C S646539 [1,1,0,0,0,0|2,0,0]=4 37 B15R1.129 CCCCNC(=O)NC1=CC(=CC=C1)Cl S623709 [1,1,0,0,0,0|2,0,0]=4 38 B15R1.129 CCCCSC(=O)NC1=CC(=CC=C1)C S647071 [1,1,0,0,0,0|2,0,0]=4 39 B15R1.129 CCCCSC(=O)NC1=CC(=CC=C1)Cl S595810 [1,1,0,0,0,0|2,0,0]=4 40 B15R1.551 CCCCN(C)C(=O)NC1=CC=CC=C1 S610739 [1,1,0,0,0,0|2,0,0]=4 41 B15R1.809 CCCC(C)NC(=O)CC1=CC=CC=C1 R268984 [1,1,0,0,0,0|1,0,1]=4 42 B15R1.809 CCCC(C)NC(=O)NC1=CC=CC=C1 R677140 [1,1,0,0,0,0|2,0,0]=4 43 B15R1.1409 CCCCNC(=O)NC1=C(C=CC=C1)C S646598 [1,1,0,0,0,0|2,0,0]=4 44 B15R1.1409 CCCCNC(=O)NC1=C(C=CC=C1)Cl S621587 [1,1,0,0,0,0|2,0,0]=4 45 B15R1.1409 CCCCNC(=O)NC1=C(C=CC=C1)F S898163 [1,1,0,0,0,0|2,0,0]=4 46 B15R1.1409 CCCCOC(=O)NC1=C(C=CC=C1)C S606944 [1,1,0,0,0,0|2,0,0]=4 47 B15R1.3922 CCCCN(CC1=CC=CC=C1)C(=O)N PH009648 [1,1,0,0,0,0|1,0,1]=4 48 B15R1.3474 CCCCNC(C(=O)O)C1=CC=CC=C1 PH007106 [0,1,0,0,1,0|1,0,1]=4 49 B17R1.5129 CCCCCCC(SC1=CC=CC=C1)C(=O)O T236357 [0,2,0,0,0,0|1,0,1]=4 50 B15R2.54 O=C1CCCCCC1C2=CC=CC=C2 T340790 [1,0,0,1,0,0|0,0,1]=3 51 B15R2.54 O=C1CCCCCN1C2=CC=CC=N2 S362298 [1,0,0,1,0,0|2,0,0]=4 52 B15R2.64 O=C(CC1=CC=CC=N1)C2CCCC2 PH013015 [1,0,0,1,0,0|1,0,1]=4 53 B15R2.64 O=C(NC1=CC=CC=C1)C2CCCC2 T316466 [1,0,0,1,0,0|1,0,0]=3 54 B15R2.64 O=C(NC1=CC=CC=C1)C2CCCO2 T318337 [1,0,0,1,0,0|2,0,0]=4 55 B15R2.64 O=C(NC1=CC=CC=C1)N2CCCC2 R748234 [1,0,0,1,0,0|2,0,0]=4 56 B15R2.541 CN1CCCC(=O)C1C2=CC=CC=C2 PH012540 [1,0,0,1,0,0|1,0,1]=4 57 B15R2.1435 CCCNC1C(=O)NC2=CC=CC=C12 PH013204 [1,0,0,1,0,0|2,0,0]=4 58 B15R2.2203 CCCCCC1=NC2=C(N1)C=CC=C2 PH010523 [1,0,0,1,0,0|2,0,0]=4 59 B15R2.2203 CCCCCC1=NC2=C(O1)C=CC=C2 PH006988 [1,0,0,1,0,0|1,0,1]=4 60 B15R2.29 CC1CCC(=CC2=CC=CC=C2)CC1 S846139 [1,0,0,1,0,0|1,0,1]=4 61 B15R2.38 O=C1CCCCC1NC2=CC=CC=C2 CBR01766 [1,0,0,1,0,0|1,0,1]=4 62 B15R2.352 CCCCC1=NC2=C(C=CC=C2)C=C1 S825042 [1,0,0,1,0,0|2,0,0]=4 63 B15R2.352 CCCOC1=CC2=C(C=CC=C2)C=C1 S648051 [1,0,0,1,0,0|2,0,0]=4 64 B15R2.131 O/N=C(/C1=CC=CC=C1)\C2CCCC2 PH009412 [0,0,0,1,1,0|1,0,1]=4 65 B15R2.2169 C1=CC=C(C=C1)C2=CCCOCCC2 T173169 [0,0,0,1,1,0|2,0,0]=4 66 B15R2.2169 C1=CC=C(C=C1)C2C=CCCCCC2 S865303 [0,0,0,1,1,0|1,0,1]=4 67 B17R2.41862 CC1CCC/C(=C\C2=CC=CC(=C2)Br)/C1=O L157031 [0,1,0,1,0,0|0,0,0]=2 68 B17R2.10270 CCCCCN1C(=O)C2=CC=CC=C2C1=O PH000379 [0,1,0,1,0,0|1,0,0]=3 69 B17R2.10270 CCCCON1C(=O)C2=C(C1=O)C=CC=C2 PH009533 [0,1,0,1,0,0|2,0,0]=4 70 B17R2.10270 O=C1C2=CC=CC=C2C(=O)N1CCCCCl R260363 [0,1,0,1,0,0|2,0,0]=4 71 B17R2.10270 O=C1C2=CC=CC=C2C(=O)N1CCCCI R260312 [0,1,0,1,0,0|2,0,0]=4 72 B17R2.47125 O=CNC1(CCCCC1)CC2=CC=CC=C2 PH008166 [0,1,0,1,0,0|0,0,2]=4 73 B17R2.45267 O=C(O)C1(CCCCC1)CC2=CC=CC=C2 T154040 [0,1,0,1,0,0|0,0,2]=4 74 B17R2.45267 O=C(O)C1(CCCCC1)OC2=CC=CC=C2 PH009788 [0,1,0,1,0,0|1,0,1]=4 75 B17R3.1829 C1=CC2=NC3=C(CCCCC3)N=C2C=C1 PH000724 [0,0,0,2,0,0|2,0,0]=4 76 B17R3.1917 C1=CC=C2C=C(C=CC2=C1)N3CCCC3 T162353 [0,0,0,2,0,0|2,0,0]=4 77 B17R3.8325 C(=O)C1(CC2CC1C2)[Se]C3=CC=CC=C3 T227161 [0,0,0,2,0,0|1,0,1]=4 78 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 R128538 [1,0,0,0,1,0|1,0,0]=3 79 B13R1.24 CCCCOC(=O)C1=CC=CC=N1 S343129 [1,0,0,0,1,0|2,0,0]=4 80 B13R1.24 C[Se]CCNC(=O)C1=CC=CC=C1 S893110 [1,0,0,0,1,0|2,0,0]=4 81 B15R1.78 CCCCNC(=O)/C=C/C1=CC=CC=C1 PH006961 [1,0,0,0,0,1|1,0,0]=3 82 B15R1.78 CCCCNC(=O)COC1=CC=CC=C1 R344524 [1,0,0,0,0,1|1,0,1]=4 83 B15R1.78 CCCCNC(=O)OCC1=CC=CC=C1 S898015 [1,0,0,0,0,1|1,0,1]=4