0 B12R1.8 NCCCNCC1=CC=CC=C1 M10127387P [0,0,0,0,0,0|2,0,0]=2 1 B11R1.28 C=CCNCC1=CC=CC=C1 M10062629P [1,0,0,0,0,0|1,0,2]=4 2 B11R1.28 CCCCNC1=CC=CC=C1 M10027499P [1,0,0,0,0,0|1,0,0]=2 3 B11R1.28 ClCCCCC1=CC=NC=C1 M10070101P [1,0,0,0,0,0|2,0,0]=3 4 B11R1.28 ClCCCCC1=CC=NC=C1 M10774068P [1,0,0,0,0,0|2,0,0]=3 5 B11R1.28 ClCCOCC1=CC=CC=C1 M10148097P [1,0,0,0,0,0|2,0,0]=3 6 B11R1.28 NCCNCC1=CC=CC=C1 M10060507P [1,0,0,0,0,0|2,0,0]=3 7 B11R1.28 OCCCCC1=CC=NC=C1 M10070100P [1,0,0,0,0,0|1,0,0]=2 8 B11R1.28 OCCCOC1=CC=CC=C1 M10084703P [1,0,0,0,0,0|1,0,0]=2 9 B11R1.28 OCCOCC1=CC=CC=C1 M10016555P [1,0,0,0,0,0|1,0,0]=2 10 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 M10041974P [0,1,0,0,0,0|0,0,1]=2 11 B13R1.718 CC(CBr)COCC1=CC=CC=C1 M12277792P [0,1,0,0,0,0|2,0,0]=3 12 B13R1.718 OCC(O)COCC1=CC=CC=C1 M10192332P [0,1,0,0,0,0|1,0,0]=2 13 B13R2.3 C1(C2=CC=CC=C2)=CCNCC1 M10250419P [0,0,0,1,0,0|2,0,1]=4 14 B13R2.3 C1(C2=CC=NC=C2)CCNCC1 M10014685P [0,0,0,1,0,0|3,0,0]=4 15 B13R2.3 N1(C2=CC=CC=C2)CCNCC1 M10041251P [0,0,0,1,0,0|3,0,0]=4 16 B13R2.3 [C@H]1(C2=CC=CC=C2)NCCOC1 M10456365P [0,0,0,1,0,0|2,0,0]=3 17 B13R2.64 C1(CC2=CC=CC=C2)=NCCN1 M10000494P [0,0,0,1,0,0|2,0,1]=4 18 B13R2.1613 CCN1CCCC2=C1C=CC=C2 M10145018P [0,0,0,1,0,0|2,0,0]=3 19 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 M10021502P [0,0,0,1,0,0|0,0,2]=3 20 B11R1.4 CCCCCCC1=CC=CS1 M10157353P [0,0,0,0,1,0|2,0,0]=3 21 B11R1.4 CCCCCCN1C=CN=C1 M10220695P [0,0,0,0,1,0|3,0,0]=4 22 B10R1.17 C=CCCC1=CC=CC=C1 M10020323P [2,0,0,0,0,0|0,0,2]=4 23 B10R1.17 CCNCC1=CC=NC=C1 M10220282P [2,0,0,0,0,0|2,0,0]=4 24 B10R1.17 CNCCC1=CC=CC=C1 M10060073P [2,0,0,0,0,0|1,0,0]=3 25 B10R1.17 CNCCC1=NC=CC=C1 M10024739P [2,0,0,0,0,0|2,0,0]=4 26 B10R1.17 NCCNC1=CC=CC=C1 M10034407P [2,0,0,0,0,0|2,0,0]=4 27 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 M10309731P [2,0,0,0,0,0|1,0,1]=4 28 B12R1.1 ClC1=CC=C(OCCNC)C=C1 M10414513P [1,1,0,0,0,0|2,0,0]=4 29 B12R1.1 FC1=CC=C(C=C1)CNCCO M10173443P [1,1,0,0,0,0|1,0,0]=3 30 B12R1.27 CCC(OCC1=CC=CC=C1)=O M10004505P [1,1,0,0,0,0|1,0,1]=4 31 B12R1.27 O=C(CCC1=CC=CC=C1)CBr M10215691P [1,1,0,0,0,0|1,0,1]=4 32 B12R1.27 OC(COC1=CC=CC=C1)CCl M12278730P [1,1,0,0,0,0|2,0,0]=4 33 B12R1.28 NC1=CC=CC(OCCOC)=C1 M10673687P [1,1,0,0,0,0|2,0,0]=4 34 B12R1.30 C[C@H](C1=CC=CC=C1)NCCO M10479865P [1,1,0,0,0,0|1,0,0]=3 35 B12R1.30 O=C(OCCC)C1=CC=CC=C1 M10042476P [1,1,0,0,0,0|1,0,1]=4 36 B12R1.32 CN(CCO)CC1=CC=CC=C1 M10002949P [1,1,0,0,0,0|1,0,0]=3 37 B12R1.252 O=C(O)CCCC1=NC=CC=C1 M10649446P [1,1,0,0,0,0|1,0,1]=4 38 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 M10035233P [1,1,0,0,0,0|0,0,2]=4 39 B12R1.7 CCCCCCC1=CC=C(Br)S1 M10834790P [0,1,0,0,1,0|2,0,0]=4 40 B14R1.14 OC1=CC=C(OCCCCCC)C=C1 M10158298P [0,2,0,0,0,0|1,0,0]=3 41 B14R1.677 CC(Cl)CNCCC1=CC=C(Cl)C=C1 M10088626P [0,2,0,0,0,0|2,0,0]=4 42 B14R1.156 CC(NCCO)COC1=CC=CC=C1 M10003066P [0,2,0,0,0,0|1,0,0]=3 43 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 M10114663P [0,2,0,0,0,0|0,0,1]=3 44 B14R1.6449 N[C@@H](CNCC1=CC=CC=C1)C(O)=O M10709404P [0,2,0,0,0,0|1,0,1]=4 45 B12R2.1 N#CC1CCC2=C1C=CC=C2 M10193960P [1,0,0,1,0,0|1,0,1]=4 46 B12R2.2 C1(C2=CC=CC=C2)=NCCO1 M10101172P [1,0,0,1,0,0|1,0,1]=4 47 B12R2.2 C1(C2CNCC2)=NC=CC=C1 M10775501P [1,0,0,1,0,0|2,0,0]=4 48 B12R2.2 C1(C2NCCC2)=CC=CN=C1 M10079958P [1,0,0,1,0,0|2,0,0]=4 49 B12R2.41 C12=CC=CC=C1CCCCN2 M10035007P [1,0,0,1,0,0|1,0,0]=3 50 B12R2.41 C12=CC=CC=C1CCCNC2 M10102516P [1,0,0,1,0,0|1,0,0]=3 51 B12R2.41 C12=CC=CC=C1CCCNC2 M10151219P [1,0,0,1,0,0|1,0,0]=3 52 B12R2.41 C12=CC=CC=C1CCNCC2 M10063070P [1,0,0,1,0,0|1,0,0]=3 53 B12R2.1081 CC1CCNC2=C1C=CC=C2 M10160403P [1,0,0,1,0,0|1,0,0]=3 54 B12R2.1081 CC1NCCC2=C1C=CC=C2 M10678709P [1,0,0,1,0,0|1,0,0]=3 55 B12R2.1081 CC1NCCC2=C1C=CC=C2 M11192517P [1,0,0,1,0,0|1,0,0]=3 56 B12R2.1081 CN1CCCC2=C1C=CC=C2 M11192453P [1,0,0,1,0,0|1,0,0]=3 57 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M12277889P [1,0,0,1,0,0|1,0,0]=3 58 B12R2.1081 C[C@H]1NCCC2=C1C=CC=C2 M12277888P [1,0,0,1,0,0|1,0,0]=3 59 B12R2.1081 ClC1CCCC2=C1C=CC=C2 M10686877P [1,0,0,1,0,0|1,0,0]=3 60 B12R2.1081 NC1CCCC2=C1N=CC=C2 M10853440P [1,0,0,1,0,0|2,0,0]=4 61 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 M10867713P [1,0,0,1,0,0|2,0,0]=4 62 B12R2.1081 N[C@H]1CCCC2=C1N=CC=C2 M10867714P [1,0,0,1,0,0|2,0,0]=4 63 B12R2.1081 OC1CCCC2=C1C=CC=C2 M11193696P [1,0,0,1,0,0|0,0,0]=2 64 B14R2.21 NC1=CC=CC(N2CCCCC2)=C1 M10200338P [0,1,0,1,0,0|2,0,0]=4 65 B14R2.21 O=C1CC(C2=CC=CC=C2)CCC1 M10167473P [0,1,0,1,0,0|0,0,2]=4 66 B14R2.21 O=C1NC(C2=CC=CC=C2)CCC1 M10245848P [0,1,0,1,0,0|0,0,2]=4 67 B14R2.21 OC1CC(C2=CC=CC=C2)OCC1 M10648546P [0,1,0,1,0,0|0,0,0]=2 68 B14R2.8719 O=C1CCCCC2=CC(N)=CC=C21 M10054801P [0,1,0,1,0,0|0,0,2]=4 69 B14R2.68 BrC1=CC=C(C2CCCCC2)C=C1 M10187825P [0,1,0,1,0,0|1,0,0]=3 70 B14R2.68 BrC1=CC=C(C2CCNCC2)C=C1 M10481586P [0,1,0,1,0,0|2,0,0]=4 71 B14R2.68 FC1=CC=C(C2CCNCC2)C=C1 M10095752P [0,1,0,1,0,0|2,0,0]=4 72 B14R2.68 NC1=CC=C(C2CCOCC2)C=C1 M10355927P [0,1,0,1,0,0|2,0,0]=4 73 B14R2.68 NC1=CC=C(N2CCCCC2)C=C1 M10042847P [0,1,0,1,0,0|2,0,0]=4 74 B14R2.68 OC1=CC=C(C2CCNCC2)C=C1 M10377428P [0,1,0,1,0,0|2,0,0]=4 75 B14R2.68 OC1COC(OC1)C2=CC=CC=C2 M10035113P [0,1,0,1,0,0|1,0,0]=3 76 B14R2.68 O[C@H]1CO[C@@H](C2=CC=CC=C2)OC1 M10060397P [0,1,0,1,0,0|1,0,0]=3 77 B14R2.5637 C[C@H]1CNCCC2=CC=C(Cl)C=C12 M10995998P [0,1,0,1,0,0|2,0,0]=4 78 B14R2.114 O=C(C1CCCC1)C2=CC=CC=C2 M10073706P [0,1,0,1,0,0|1,0,1]=4 79 B14R2.5540 CC1(C2=CC=CC=C2)CCNCC1 M10788571P [0,1,0,1,0,0|2,0,0]=4 80 B14R2.5540 OC1(C2=CC=CC=C2)CNCCC1 M10179725P [0,1,0,1,0,0|2,0,0]=4 81 B14R2.6 C1(CC2=CC=CC=C2)NCCOC1 M10109723P [0,1,0,1,0,0|1,0,0]=3 82 B14R2.6 C1(NC2CCCCC2)=CC=CC=C1 M10036718P [0,1,0,1,0,0|1,0,0]=3 83 B14R2.6 N1(CC2=CC=CC=C2)CCNCC1 M10674951P [0,1,0,1,0,0|2,0,0]=4 84 B14R2.78 OCC1N(CC2=CC=CC=C2)CC1 M10213152P [0,1,0,1,0,0|0,0,0]=2 85 B14R2.31359 O=C(C1NCCC2=C1C=CC=C2)O M10244716P [0,1,0,1,0,0|1,0,1]=4 86 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 M10179519P [0,1,0,1,0,0|0,0,1]=3 87 B14R2.31359 O=C([C@@H]1NCCC2=C1C=CC=C2)O M10776402P [0,1,0,1,0,0|1,0,1]=4 88 B14R3.49 C12NC3=C(C=CC=C3)C1CCC2 M10478819P [0,0,0,2,0,0|1,0,0]=3 89 B10R1.21 CCCCCC1=CC=CS1 M10066871P [1,0,0,0,1,0|1,0,0]=3 90 B10R1.21 CCCCCN1C=CN=C1 M10162404P [1,0,0,0,1,0|2,0,0]=4