0 B14R1.158 C/C=C/COC(=O)NC1=CC=CC=C1 S724408 [0,0,0,0,0,0|1,0,2]=3 1 B14R1.158 CCCCCC(=O)OC1=CC=CC=C1 S657891 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.158 CCCCNC(=O)CC1=CC=CC=C1 R371467 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.158 CCCCNC(=O)NC1=CC=CC=C1 S591246 [0,0,0,0,0,0|2,0,0]=2 4 B14R1.158 CCCCNC(=S)NC1=CC=CC=C1 S520969 [0,0,0,0,0,0|2,1,0]=3 5 B14R1.158 CCCCNC(=S)NC1=NC=CC=C1 S686778 [0,0,0,0,0,0|3,1,0]=4 6 B14R1.158 CCCCOC(=O)NC1=CC=CC=C1 S586366 [0,0,0,0,0,0|1,0,0]=1 7 B14R1.158 CCCCSC(=O)NC1=CC=CC=C1 S644005 [0,0,0,0,0,0|1,1,0]=2 8 B14R1.158 CCCCSC(=S)NC1=CC=CC=C1 PH011582 [0,0,0,0,0,0|1,2,0]=3 9 B14R1.158 CCCONC(=O)NC1=CC=CC=C1 R452696 [0,0,0,0,0,0|3,0,0]=3 10 B14R1.158 COCCNC(=O)NC1=CC=CC=C1 S610704 [0,0,0,0,0,0|3,0,0]=3 11 B14R1.158 COCCOC(=O)NC1=CC=CC=C1 S644072 [0,0,0,0,0,0|2,0,0]=2 12 B14R1.158 N#CCCOC(=O)NC1=CC=CC=C1 S645192 [0,0,0,0,0,0|2,0,1]=3 13 B14R1.158 NCCCCC(=O)NC1=CC=NC=C1 R646067 [0,0,0,0,0,0|4,0,0]=4 14 B13R1.28 CCCCC/N=C\C1=CC=CC=C1 PH008433 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.28 CCCCOCCC1=NC=CC=C1 PH007371 [1,0,0,0,0,0|1,0,1]=3 16 B13R1.28 CCCCSCCC1=NC=CC=C1 PH007370 [1,0,0,0,0,0|1,1,1]=4 17 B13R1.28 ClCCCCCCC1=CC=CC=C1 PH000050 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.28 NCCCCNCC1=CC=CC=C1 PH010300 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.28 OCCCCNCC1=CC=CC=C1 CDS000390 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.44 C#CCOC(=O)NC1=CC=CC=C1 S370479 [1,0,0,0,0,0|1,0,2]=4 21 B13R1.44 C=CCOC(=O)NC1=CC=CC=C1 PH008700 [1,0,0,0,0,0|1,0,2]=4 22 B13R1.44 CCCCC(O)CC1=CC=CC=C1 S782025 [1,0,0,0,0,0|0,0,2]=3 23 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 S591378 [1,0,0,0,0,0|2,0,0]=3 24 B13R1.44 CCCNC(=S)NC1=CC=CC=C1 S615218 [1,0,0,0,0,0|2,1,0]=4 25 B13R1.44 CCCSC(=O)NC1=CC=CC=C1 S643947 [1,0,0,0,0,0|1,1,0]=3 26 B13R1.44 CCONC(=O)NC1=CC=CC=C1 R270830 [1,0,0,0,0,0|3,0,0]=4 27 B13R1.44 CN(CCCCl)CC1=CC=CC=C1 S427357 [1,0,0,0,0,0|3,0,0]=4 28 B13R1.44 CN(CCCN)CC1=CC=CC=C1 OTV000381 [1,0,0,0,0,0|3,0,0]=4 29 B13R1.44 CNCCN(C)CC1=CC=CC=C1 PH014509 [1,0,0,0,0,0|3,0,0]=4 30 B13R1.44 O=C(CC1=CC=CC=C1)NCCO PH001912 [1,0,0,0,0,0|2,0,0]=3 31 B13R1.44 O=C(CCCCl)OC1=CC=CC=C1 S354538 [1,0,0,0,0,0|2,0,0]=3 32 B13R1.44 O=C(NC1=CC=CC=C1)OCCBr S711675 [1,0,0,0,0,0|2,0,0]=3 33 B13R1.44 O=C(NC1=CC=CC=C1)OCCCl S594172 [1,0,0,0,0,0|2,0,0]=3 34 B13R1.44 O=C(NCCCl)NC1=CC=CC=C1 R594377 [1,0,0,0,0,0|3,0,0]=4 35 B13R1.44 O=C(NCCO)NC1=CC=CC=C1 S556297 [1,0,0,0,0,0|3,0,0]=4 36 B15R1.83 CCCCCOC(=O)NC1=CC=CC=C1 S589993 [0,1,0,0,0,0|1,0,0]=2 37 B15R1.83 CCCCONC(=O)NC1=CC=CC=C1 R270873 [0,1,0,0,0,0|1,0,0]=2 38 B15R1.83 CCOCCOC(=O)NC1=CC=CC=C1 S624349 [0,1,0,0,0,0|1,0,0]=2 39 B15R1.83 COCCCNC(=O)NC1=CC=CC=C1 PH009544 [0,1,0,0,0,0|2,0,0]=3 40 B15R1.93 CCCCNC(=O)N(C)C1=CC=CC=C1 S603449 [0,1,0,0,0,0|2,0,0]=3 41 B15R1.93 CCCCOC(=O)C(O)C1=CC=CC=C1 PH015120 [0,1,0,0,0,0|0,0,0]=1 42 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)Br S665681 [0,1,0,0,0,0|2,0,0]=3 43 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)C S613096 [0,1,0,0,0,0|2,0,0]=3 44 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)Cl S279692 [0,1,0,0,0,0|2,0,0]=3 45 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)Cl S591416 [0,1,0,0,0,0|2,0,0]=3 46 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)F S601691 [0,1,0,0,0,0|2,0,0]=3 47 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)O S562416 [0,1,0,0,0,0|2,0,0]=3 48 B15R1.128 CCCCNC(=O)SC1=CC=C(C=C1)O S727954 [0,1,0,0,0,0|2,0,0]=3 49 B15R1.128 CCCCOC(=O)NC1=CC=C(C=C1)Br S594075 [0,1,0,0,0,0|1,0,0]=2 50 B15R1.128 CCCCOC(=O)NC1=CC=C(C=C1)C S643815 [0,1,0,0,0,0|1,0,0]=2 51 B15R1.128 CCCCOC(=O)NC1=CC=C(C=C1)Cl S586404 [0,1,0,0,0,0|1,0,0]=2 52 B15R1.128 CCCCSC(=O)NC1=CC=C(C=C1)Br S595802 [0,1,0,0,0,0|1,1,0]=3 53 B15R1.128 CCCONC(=O)NC1=CC=C(C=C1)Br R452742 [0,1,0,0,0,0|3,0,0]=4 54 B15R1.128 COCCNC(=O)NC1=CC=C(C=C1)Br S644757 [0,1,0,0,0,0|3,0,0]=4 55 B15R1.128 COCCOC(=O)NC1=CC=C(C=C1)Br S667110 [0,1,0,0,0,0|2,0,0]=3 56 B15R1.128 COCCOC(=O)NC1=CC=C(C=C1)Cl S644145 [0,1,0,0,0,0|2,0,0]=3 57 B15R1.128 O=C(NCCCO)NC1=CC=C(C=C1)Cl L131598 [0,1,0,0,0,0|3,0,0]=4 58 B15R1.129 CCCCNC(=O)NC1=CC(=CC=C1)C S646539 [0,1,0,0,0,0|2,0,0]=3 59 B15R1.129 CCCCNC(=O)NC1=CC(=CC=C1)Cl S623709 [0,1,0,0,0,0|2,0,0]=3 60 B15R1.129 CCCCSC(=O)NC1=CC(=CC=C1)C S647071 [0,1,0,0,0,0|1,1,0]=3 61 B15R1.129 CCCCSC(=O)NC1=CC(=CC=C1)Cl S595810 [0,1,0,0,0,0|1,1,0]=3 62 B15R1.129 COCCNC(=O)NC1=CC=CC(=C1)Cl S611263 [0,1,0,0,0,0|3,0,0]=4 63 B15R1.129 COCCNC(=O)NC1=CC=CC(=C1)Cl S711128 [0,1,0,0,0,0|3,0,0]=4 64 B15R1.129 COCCOC(=O)NC1=CC(=CC=C1)Cl S638072 [0,1,0,0,0,0|2,0,0]=3 65 B15R1.551 CCCCN(C)C(=O)NC1=CC=CC=C1 S610739 [0,1,0,0,0,0|2,0,0]=3 66 B15R1.809 CCCC(=O)NC(=O)NC1=CC=CC=C1 S856304 [0,1,0,0,0,0|2,0,1]=4 67 B15R1.809 CCCC(C)NC(=O)CC1=CC=CC=C1 R268984 [0,1,0,0,0,0|1,0,0]=2 68 B15R1.809 CCCC(C)NC(=O)NC1=CC=CC=C1 R677140 [0,1,0,0,0,0|2,0,0]=3 69 B15R1.809 COCC(C)NC(=O)NC1=CC=CC=C1 R715123 [0,1,0,0,0,0|3,0,0]=4 70 B15R1.964 CC/C(=N/OC(=O)NC1=CC=CC=C1)/C L320099 [0,1,0,0,0,0|2,0,1]=4 71 B15R1.964 COC(=O)CNC(=O)CC1=CC=CC=C1 PH010395 [0,1,0,0,0,0|2,0,1]=4 72 B15R1.1035 CCCCC/C(=C\C1=CC=CC=C1)/CO S528129 [0,1,0,0,0,0|1,0,2]=4 73 B15R1.1081 CN(C)CCOC(=O)NC1=CC=CC=C1 S638358 [0,1,0,0,0,0|2,0,0]=3 74 B15R1.1409 CCCCNC(=O)NC1=C(C=CC=C1)C S646598 [0,1,0,0,0,0|2,0,0]=3 75 B15R1.1409 CCCCNC(=O)NC1=C(C=CC=C1)Cl S621587 [0,1,0,0,0,0|2,0,0]=3 76 B15R1.1409 CCCCNC(=O)NC1=C(C=CC=C1)F S898163 [0,1,0,0,0,0|2,0,0]=3 77 B15R1.1409 CCCCOC(=O)NC1=C(C=CC=C1)C S606944 [0,1,0,0,0,0|1,0,0]=2 78 B15R1.1409 COCCNC(=O)NC1=C(C=CC=C1)C S650412 [0,1,0,0,0,0|3,0,0]=4 79 B15R1.1409 COCCNC(=O)NC1=CC=CC=C1Cl S636665 [0,1,0,0,0,0|3,0,0]=4 80 B15R1.1409 COCCOC(=O)NC1=C(C=CC=C1)C S666653 [0,1,0,0,0,0|2,0,0]=3 81 B15R1.1409 COCCOC(=O)NC1=C(C=CC=C1)Cl S638544 [0,1,0,0,0,0|2,0,0]=3 82 B15R1.2074 CCCCNS(=O)(=O)CC1=CC=CC=C1 R577138 [0,1,0,0,0,0|2,0,0]=3 83 B15R1.2074 O=S(=O)(CCCCCl)CC1=CC=CC=C1 S799157 [0,1,0,0,0,0|3,0,0]=4 84 B15R2.15 CCC1CSC(=N1)NC2=CC=CC=C2 L125334 [0,0,0,1,0,0|2,1,0]=4 85 B15R2.54 O=C1CCCCCC1C2=CC=CC=C2 T340790 [0,0,0,1,0,0|1,0,0]=2 86 B15R2.54 O=C1CCCCCN1C2=CC=CC=N2 S362298 [0,0,0,1,0,0|3,0,0]=4 87 B15R2.64 CC(CC1=CC=CC=C1)N2CCCC2 PH012445 [0,0,0,1,0,0|2,0,1]=4 88 B15R2.64 O=C(CC1=CC=CC=N1)C2CCCC2 PH013015 [0,0,0,1,0,0|2,0,0]=3 89 B15R2.64 O=C(NC1=CC=CC=C1)C2CCCC2 T316466 [0,0,0,1,0,0|2,0,0]=3 90 B15R2.64 O=C(NC1=CC=CC=C1)C2CCCO2 T318337 [0,0,0,1,0,0|3,0,0]=4 91 B15R2.64 O=C(NC1=CC=CC=C1)N2CCCC2 R748234 [0,0,0,1,0,0|2,0,0]=3 92 B15R2.64 S=C(NC1=CC=CC=C1)N2CCCC2 S690856 [0,0,0,1,0,0|2,1,0]=4 93 B15R2.541 CC1CCCN(C1C2=CC=CC=C2)C PH012522 [0,0,0,1,0,0|3,0,0]=4 94 B15R2.541 CN1CCCC(=O)C1C2=CC=CC=C2 PH012540 [0,0,0,1,0,0|2,0,0]=3 95 B15R2.1435 CCCCN1C(=N)SC2=CC=CC=C12 PH006935 [0,0,0,1,0,0|3,0,0]=4 96 B15R2.1435 CCCNC1C(=O)NC2=CC=CC=C12 PH013204 [0,0,0,1,0,0|3,0,0]=4 97 B15R2.1435 O=C1NC2=C(N1CCCCl)C=CC=C2 CDS008063 [0,0,0,1,0,0|3,0,0]=4 98 B15R2.2203 CCCCCC1=NC2=C(N1)C=CC=C2 PH010523 [0,0,0,1,0,0|3,0,0]=4 99 B15R2.2203 CCCCCC1=NC2=C(O1)C=CC=C2 PH006988 [0,0,0,1,0,0|2,0,1]=4 100 B15R2.2203 CCCCSC1=NC2=C(N1)C=CC=C2 S239313 [0,0,0,1,0,0|2,1,0]=4 101 B15R2.2203 CCCCSC1=NC2=C(O1)C=CC=C2 PH008623 [0,0,0,1,0,0|1,1,1]=4 102 B15R2.2203 CCCCSC1=NC2=C(S1)C=CC=C2 R345539 [0,0,0,1,0,0|1,2,0]=4 103 B15R2.2203 COCCOC1=NC2=C(S1)C=CC=C2 R345423 [0,0,0,1,0,0|2,1,0]=4 104 B15R2.7956 OC1(CCCCC1)CC2=CC=CC=C2 S926574 [0,0,0,1,0,0|1,0,2]=4 105 B13R1.24 C=CCCOC(=O)C1=CC=CC=C1 T273716 [0,0,0,0,1,0|0,0,2]=3 106 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 R128538 [0,0,0,0,1,0|1,0,0]=2 107 B13R1.24 CCCCNC(C)C1=CC=CC=C1 R592528 [0,0,0,0,1,0|2,0,1]=4 108 B13R1.24 CCCCOC(=O)C1=CC=CC=N1 S343129 [0,0,0,0,1,0|1,0,0]=2 109 B13R1.24 C[Se]CCNC(=O)C1=CC=CC=C1 S893110 [0,0,0,0,1,0|2,0,0]=3 110 B15R1.78 CCCCNC(=O)/C=C/C1=CC=CC=C1 PH006961 [0,0,0,0,0,1|1,0,1]=3 111 B15R1.78 CCCCNC(=O)COC1=CC=CC=C1 R344524 [0,0,0,0,0,1|1,0,0]=2 112 B15R1.78 CCCCNC(=O)NCC1=CC=CN=C1 S607991 [0,0,0,0,0,1|2,0,0]=3 113 B15R1.78 CCCCNC(=O)OCC1=CC=CC=C1 S898015 [0,0,0,0,0,1|1,0,0]=2 114 B15R1.78 CCCCNC(C)COC1=CC=CC=C1 R549010 [0,0,0,0,0,1|2,0,1]=4 115 B15R1.78 O=C(COC1=CC=CC=C1)NCCCO L131024 [0,0,0,0,0,1|2,0,0]=3 116 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [2,0,0,0,0,0|1,0,1]=4 117 B12R1.8 C#CCCOCC1=CC=CC=C1 T269069 [2,0,0,0,0,0|0,0,2]=4 118 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [2,0,0,0,0,0|1,0,1]=4 119 B12R1.8 CCCCN=CC1=CC=CC=C1 S381322 [2,0,0,0,0,0|1,0,0]=3 120 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [2,0,0,0,0,0|1,0,1]=4 121 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [2,0,0,0,0,0|1,0,1]=4 122 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [2,0,0,0,0,0|2,0,0]=4 123 B12R1.8 ClCCCOCC1=CC=CC=C1 PH011743 [2,0,0,0,0,0|1,0,0]=3 124 B12R1.8 N#CCCOCC1=CC=CC=C1 ANV00259 [2,0,0,0,0,0|1,0,1]=4 125 B12R1.8 OCCCNCC1=CC=CC=C1 S376310 [2,0,0,0,0,0|2,0,0]=4 126 B12R1.8 OCCCSCC1=CC=CC=C1 T166324 [2,0,0,0,0,0|1,1,0]=4 127 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [2,0,0,0,0,0|0,0,2]=4 128 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [2,0,0,0,0,0|1,0,0]=3 129 B12R1.32 CCNC(=O)NC1=CC=CC=C1 S591637 [2,0,0,0,0,0|2,0,0]=4 130 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 L497142 [2,0,0,0,0,0|1,0,0]=3 131 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 S343471 [2,0,0,0,0,0|1,0,0]=3 132 B12R1.32 CCOC(=O)NC1=CC=CC=C1 S714615 [2,0,0,0,0,0|1,0,0]=3 133 B12R1.32 CCOC(=O)NC1=CC=CC=N1 PH000186 [2,0,0,0,0,0|2,0,0]=4 134 B12R1.32 CCOC(=O)NC1=CN=CC=C1 EME00390 [2,0,0,0,0,0|2,0,0]=4 135 B12R1.32 CCOC(=O)OC1=CC=CC=C1 S509043 [2,0,0,0,0,0|1,0,0]=3 136 B12R1.32 CCOC(=S)NC1=CC=CC=C1 S412716 [2,0,0,0,0,0|1,1,0]=4 137 B12R1.32 NCCC(=O)NC1=CC=CC=C1 CBR00894 [2,0,0,0,0,0|2,0,0]=4 138 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 PH014668 [2,0,0,0,0,0|2,0,0]=4 139 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 T281719 [2,0,0,0,0,0|2,0,0]=4 140 B14R1.14 CCCCCCCC1=CC=C(C=C1)O CDS000684 [1,1,0,0,0,0|1,0,1]=4 141 B14R1.123 CCCCCCOCC1=CC=CC=C1 S630160 [1,1,0,0,0,0|1,0,1]=4 142 B14R1.123 CCCCNCCOC1=CC=CC=C1 PH012073 [1,1,0,0,0,0|1,0,1]=4 143 B14R1.123 OCCCCCCCC1=CC=CC=C1 PH010503 [1,1,0,0,0,0|1,0,1]=4 144 B14R1.422 CC(O)CCCCCC1=CC=CC=C1 PH008491 [1,1,0,0,0,0|1,0,1]=4 145 B14R1.33 CC1=CC=C(C=C1)NC(=O)OCCCl S612766 [1,1,0,0,0,0|2,0,0]=4 146 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)Br S665045 [1,1,0,0,0,0|2,0,0]=4 147 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)C S644374 [1,1,0,0,0,0|2,0,0]=4 148 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)Cl S279854 [1,1,0,0,0,0|2,0,0]=4 149 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)Cl S591343 [1,1,0,0,0,0|2,0,0]=4 150 B14R1.33 CCCNC(=O)SC1=CC=C(C=C1)Cl S844063 [1,1,0,0,0,0|2,0,0]=4 151 B14R1.33 CCCOC(=O)NC1=CC=C(C=C1)C S643874 [1,1,0,0,0,0|1,0,0]=3 152 B14R1.33 CCCOC(=O)NC1=CC=C(C=C1)Cl S586285 [1,1,0,0,0,0|1,0,0]=3 153 B14R1.33 CCCSC(=O)NC1=CC=C(C=C1)Br S631655 [1,1,0,0,0,0|1,1,0]=4 154 B14R1.33 CCCSC(=O)NC1=CC=C(C=C1)C S652326 [1,1,0,0,0,0|1,1,0]=4 155 B14R1.33 O=C(NC1=CC=C(C=C1)Br)OCCCl S628158 [1,1,0,0,0,0|2,0,0]=4 156 B14R1.33 O=C(NC1=CC=C(C=C1)Cl)OCCCl S612723 [1,1,0,0,0,0|2,0,0]=4 157 B14R1.33 O=C(NC1=CC=C(C=C1)F)OCCCl S714291 [1,1,0,0,0,0|2,0,0]=4 158 B14R1.34 CC1=CC=CC(=C1)NC(=O)CCCCl S525693 [1,1,0,0,0,0|2,0,0]=4 159 B14R1.34 CCCNC(=O)CC1=CC(=CC=C1)Br R348597 [1,1,0,0,0,0|1,0,0]=3 160 B14R1.34 CCCNC(=O)NC1=CC(=CC=C1)C S646490 [1,1,0,0,0,0|2,0,0]=4 161 B14R1.34 CCCNC(=O)NC1=CC=CC(=C1)Cl S610291 [1,1,0,0,0,0|2,0,0]=4 162 B14R1.34 CCCNC(=O)OC1=CC=CC(=C1)C S892149 [1,1,0,0,0,0|2,0,0]=4 163 B14R1.34 CCCOC(=O)NC1=CC(=CC=C1)C S606995 [1,1,0,0,0,0|1,0,0]=3 164 B14R1.34 CCCOC(=O)NC1=CC(=CC=C1)Cl S594253 [1,1,0,0,0,0|1,0,0]=3 165 B14R1.34 CCCSC(=O)NC1=CC(=CC=C1)C S646954 [1,1,0,0,0,0|1,1,0]=4 166 B14R1.34 CCCSC(=O)NC1=CC(=CC=C1)Cl S595829 [1,1,0,0,0,0|1,1,0]=4 167 B14R1.34 O=C(NC1=CC(=CC=C1)Cl)OCCCl S594334 [1,1,0,0,0,0|2,0,0]=4 168 B14R1.34 O=C(NC1=CC(=CC=C1)Cl)OCCCl S633836 [1,1,0,0,0,0|2,0,0]=4 169 B14R1.423 C=C(C)COC(=O)NC1=CC=CC=C1 PH008778 [1,1,0,0,0,0|1,0,1]=4 170 B14R1.423 CC(C)CNC(=O)NC1=CC=CC=C1 S643807 [1,1,0,0,0,0|2,0,0]=4 171 B14R1.423 CC(O)CNC(=O)NC1=CC=CC=C1 S609374 [1,1,0,0,0,0|2,0,0]=4 172 B14R1.743 CC(CO)NC(=O)CC1=CC=CC=C1 PH010622 [1,1,0,0,0,0|2,0,0]=4 173 B14R1.743 CCC(C)NC(=O)CC1=CC=CC=C1 R269298 [1,1,0,0,0,0|1,0,0]=3 174 B14R1.743 CCC(C)NC(=O)NC1=CC=CC=C1 R676438 [1,1,0,0,0,0|2,0,0]=4 175 B14R1.743 CCC(C)OC(=O)NC1=CC=CC=C1 S556017 [1,1,0,0,0,0|1,0,0]=3 176 B14R1.946 CC1=C(C=CC=C1)NC(=O)OCCCl S607509 [1,1,0,0,0,0|2,0,0]=4 177 B14R1.946 CCCNC(=O)NC1=C(C=CC=C1)C S646563 [1,1,0,0,0,0|2,0,0]=4 178 B14R1.946 CCCNC(=O)NC1=CC=CC=C1Cl S621625 [1,1,0,0,0,0|2,0,0]=4 179 B14R1.946 CCCOC(=O)NC1=C(C=CC=C1)C S644099 [1,1,0,0,0,0|1,0,0]=3 180 B14R1.946 CCCOC(=O)NC1=C(C=CC=C1)Cl S638528 [1,1,0,0,0,0|1,0,0]=3 181 B14R1.946 O=C(NC1=C(C=CC=C1)Cl)OCCCl S633798 [1,1,0,0,0,0|2,0,0]=4 182 B14R1.946 O=C(NC1=C(C=CC=C1)F)OCCCl S711667 [1,1,0,0,0,0|2,0,0]=4 183 B14R1.4528 CCCCS(=O)(=O)CC1=CC=CC=C1 S799459 [1,1,0,0,0,0|1,0,0]=3 184 B14R1.4528 O=S(=O)(CCCCl)CC1=CC=CC=C1 T165298 [1,1,0,0,0,0|2,0,0]=4 185 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)Cl S759295 [0,1,0,0,1,0|1,0,0]=3 186 B14R1.20 CCCCNC(=O)C1=CC(=CC=C1)Cl R704067 [0,1,0,0,1,0|1,0,0]=3 187 B14R1.20 CCCCNC(=O)C1=CC=CC(=C1)N S632309 [0,1,0,0,1,0|1,0,0]=3 188 B14R1.29 CCCC(C)NC(=O)C1=CC=CC=C1 R269034 [0,1,0,0,1,0|1,0,0]=3 189 B14R1.29 CCOC(=O)OC(=O)C1=CC=CC=C1 PH008263 [0,1,0,0,1,0|1,0,1]=4 190 B14R1.1035 CCCC/N=C(/C)\C1=CC=CC=C1O S730106 [0,1,0,0,1,0|2,0,0]=4 191 B14R1.1035 CCCCNC(=O)C1=C(C=CC=C1)Cl R703893 [0,1,0,0,1,0|1,0,0]=3 192 B16R1.51 CCCCCC(=O)NCC1=CC=C(C=C1)Cl R714917 [0,1,0,0,0,1|1,0,0]=3 193 B16R1.608 CC(=O)CCCC(=O)OCC1=CC=CC=C1 PH008485 [0,1,0,0,0,1|1,0,1]=4 194 B16R1.688 CCCCCCC(=O)NCC1=CC=CC=C1 L173312 [0,1,0,0,0,1|1,0,0]=3 195 B16R1.688 NCCCCCC(=O)OCC1=CC=CC=C1 S33465 [0,1,0,0,0,1|1,0,0]=3 196 B16R1.1216 CCCCNC(=O)C(C)OC1=CC=CC=C1 R345164 [0,1,0,0,0,1|1,0,0]=3 197 B16R1.1570 CCCC(=O)CC(=O)NCC1=CC=CC=C1 PH015923 [0,1,0,0,0,1|1,0,1]=4 198 B16R1.54 CCCCCOC(=O)NC1=CC=C(C=C1)Cl S595403 [0,2,0,0,0,0|1,0,0]=3 199 B16R1.54 CCOCCOC(=O)NC1=CC=C(C=C1)Br S665932 [0,2,0,0,0,0|1,0,0]=3 200 B16R1.54 CCOCCOC(=O)NC1=CC=C(C=C1)C S666645 [0,2,0,0,0,0|1,0,0]=3 201 B16R1.54 CCOCCOC(=O)NC1=CC=C(C=C1)Cl S644676 [0,2,0,0,0,0|1,0,0]=3 202 B16R1.54 COCCCNC(=O)CC1=CC=C(C=C1)Cl PH008763 [0,2,0,0,0,0|1,0,0]=3 203 B16R1.54 COCCCNC(=O)NC1=CC=C(C=C1)Cl S483109 [0,2,0,0,0,0|2,0,0]=4 204 B16R1.610 CN(C)CCCNC(=O)NC1=CC=CC=C1 S543756 [0,2,0,0,0,0|2,0,0]=4 205 B16R1.705 CCCCCNC(=O)[C@@H](N)C1=CC=CC=C1 PH015447 [0,2,0,0,0,0|1,0,0]=3 206 B16R1.934 CCOC(=O)CNC(=O)CC1=CC=CC=C1 R131717 [0,2,0,0,0,0|1,0,1]=4 207 B16R1.1497 CCCCC(=O)NC(=O)NC1=CC=CC=C1 S768308 [0,2,0,0,0,0|2,0,0]=4 208 B16R1.4621 CCCCONC(=O)NC1=CC=CC=C1Cl R264695 [0,2,0,0,0,0|1,0,0]=3 209 B16R1.4621 CCOCCOC(=O)NC1=C(C=CC=C1)Cl S630128 [0,2,0,0,0,0|1,0,0]=3 210 B16R1.61 CCCCOC(=O)N(O)C1=CC=C(C=C1)Cl S857750 [0,2,0,0,0,0|1,0,0]=3 211 B16R1.613 CC(C)CCOC(=O)C(Br)C1=CC=CC=C1 S351504 [0,2,0,0,0,0|0,0,0]=2 212 B16R1.613 CC(C)CCOC(=O)C(N)C1=CC=CC=C1 R414166 [0,2,0,0,0,0|0,0,0]=2 213 B16R1.613 CC(C)CCOC(=O)C(O)C1=CC=CC=C1 S351512 [0,2,0,0,0,0|0,0,0]=2 214 B16R1.658 CCCCN(C)C(=O)NC1=CC=C(C=C1)C S613185 [0,2,0,0,0,0|2,0,0]=4 215 B16R1.658 CCCCN(C)C(=O)NC1=CC=C(C=C1)Cl S610828 [0,2,0,0,0,0|2,0,0]=4 216 B16R1.955 CCCC(C)NC(=O)NC1=CC=C(C=C1)Cl R547158 [0,2,0,0,0,0|2,0,0]=4 217 B16R1.1067 CC1=CC=C(C=C1)NC(=O)OCCN(C)C S666521 [0,2,0,0,0,0|2,0,0]=4 218 B16R1.1067 CN(C)CCOC(=O)NC1=CC=C(C=C1)Br S711713 [0,2,0,0,0,0|2,0,0]=4 219 B16R1.1067 CN(C)CCOC(=O)NC1=CC=C(C=C1)Cl S607622 [0,2,0,0,0,0|2,0,0]=4 220 B16R1.1067 CN(C)CCOC(=O)NC1=CC=C(C=C1)F S714240 [0,2,0,0,0,0|2,0,0]=4 221 B16R1.7382 CCCCNC(=O)NC1=CC=C(C=C1)OC S601667 [0,2,0,0,0,0|2,0,0]=4 222 B16R1.7382 CCCCOC(=O)CC1=CC=C(C=C1)OC PH001344 [0,2,0,0,0,0|0,0,0]=2 223 B16R1.7393 CCCCNC(=O)NC1=CC(=C(C=C1)C)C S663883 [0,2,0,0,0,0|2,0,0]=4 224 B16R1.7393 CCCCNC(=O)NC1=CC(=C(C=C1)C)Cl S603589 [0,2,0,0,0,0|2,0,0]=4 225 B16R1.7393 CCCCNC(=O)NC1=CC(=C(C=C1)Cl)Cl S279110 [0,2,0,0,0,0|2,0,0]=4 226 B16R1.7393 CCCCNC(=O)NC1=CC(=C(C=C1)Cl)Cl S613428 [0,2,0,0,0,0|2,0,0]=4 227 B16R1.7393 CCCCOC(=O)NC1=CC(=C(C=C1)Cl)Cl S633917 [0,2,0,0,0,0|1,0,0]=3 228 B16R1.22955 CCCCCC(=O)NC1=C(C=C(C=C1)Cl)Cl R715069 [0,2,0,0,0,0|2,0,0]=4 229 B16R1.22955 CCCCNC(=O)NC1=C(C=C(C=C1)C)C S606804 [0,2,0,0,0,0|2,0,0]=4 230 B16R1.22955 CCCCNC(=O)NC1=C(C=C(C=C1)Cl)C S603473 [0,2,0,0,0,0|2,0,0]=4 231 B16R1.22955 CCCCNC(=O)NC1=C(C=C(C=C1)Cl)Cl S613169 [0,2,0,0,0,0|2,0,0]=4 232 B16R1.22955 CCCCNC(=O)NC1=CC=C(C=C1O)N S587281 [0,2,0,0,0,0|2,0,0]=4 233 B16R1.22955 CCCCNC(=O)OC1=C(C=C(C=C1)F)Cl S729418 [0,2,0,0,0,0|2,0,0]=4 234 B16R1.22955 CCCCNC(=O)OC1=CC=C(C=C1Br)Cl S910325 [0,2,0,0,0,0|2,0,0]=4 235 B16R1.22955 CCCCOC(=O)NC1=C(C=C(C=C1)C)C S611174 [0,2,0,0,0,0|1,0,0]=3 236 B16R1.22955 CCCCSC(=O)NC1=C(C=C(C=C1)C)C S710717 [0,2,0,0,0,0|1,1,0]=4 237 B16R1.22955 CCCCSC(=O)NC1=C(C=C(C=C1)Cl)C S650668 [0,2,0,0,0,0|1,1,0]=4 238 B16R1.22955 COCCOC(=O)NC1=C(C=C(C=C1)C)C S665835 [0,2,0,0,0,0|2,0,0]=4 239 B16R1.22955 COCCOC(=O)NC1=C(C=C(C=C1)Cl)C S665002 [0,2,0,0,0,0|2,0,0]=4 240 B16R1.88 CCCCNC(=O)NC1=C(C(=CC=C1)C)C S636541 [0,2,0,0,0,0|2,0,0]=4 241 B16R1.88 CCCCNC(=O)NC1=C(C(=CC=C1)Cl)Cl S623563 [0,2,0,0,0,0|2,0,0]=4 242 B16R1.88 CCCCNC(=O)OC1=CC=CC(=C1Cl)Cl S917265 [0,2,0,0,0,0|2,0,0]=4 243 B16R1.88 CCCCOC(=O)NC1=C(C(=CC=C1)C)C S665592 [0,2,0,0,0,0|1,0,0]=3 244 B16R1.88 CCCCOC(=O)NC1=C(C(=CC=C1)Cl)Cl S636444 [0,2,0,0,0,0|1,0,0]=3 245 B16R1.88 CCCCSC(=O)NC1=C(C(=CC=C1)Cl)Cl S597740 [0,2,0,0,0,0|1,1,0]=4 246 B16R1.88 COCCOC(=O)NC1=C(C(=CC=C1)C)C S665207 [0,2,0,0,0,0|2,0,0]=4 247 B16R1.88 COCCOC(=O)NC1=C(C(=CC=C1)Cl)Cl S666882 [0,2,0,0,0,0|2,0,0]=4 248 B16R1.659 CCCCN(C)C(=O)NC1=CC(=CC=C1)C S613150 [0,2,0,0,0,0|2,0,0]=4 249 B16R1.659 CCCCN(C)C(=O)NC1=CC(=CC=C1)Cl S623768 [0,2,0,0,0,0|2,0,0]=4 250 B16R1.7379 CCCCNC(=O)NC1=C(C=CC(=C1)C)C S664715 [0,2,0,0,0,0|2,0,0]=4 251 B16R1.7379 CCCCNC(=O)NC1=C(C=CC(=C1)Cl)C S613231 [0,2,0,0,0,0|2,0,0]=4 252 B16R1.7379 CCCCNC(=O)NC1=C(C=CC(=C1)Cl)Cl S636509 [0,2,0,0,0,0|2,0,0]=4 253 B16R1.7379 CCCCNC(=O)NC1=C(C=CC(=C1)Cl)Cl S665061 [0,2,0,0,0,0|2,0,0]=4 254 B16R1.7379 CCCCNC(=O)NC1=C(C=CC(=C1)F)F S687545 [0,2,0,0,0,0|2,0,0]=4 255 B16R1.7379 CCCCOC(=O)NC1=C(C=CC(=C1)C)C S665266 [0,2,0,0,0,0|1,0,0]=3 256 B16R1.7379 CCCCOC(=O)NC1=C(C=CC(=C1)Cl)Cl S717002 [0,2,0,0,0,0|1,0,0]=3 257 B16R1.7379 COCCOC(=O)NC1=C(C=CC(=C1)C)C S665274 [0,2,0,0,0,0|2,0,0]=4 258 B16R1.7379 COCCOC(=O)NC1=C(C=CC(=C1)Cl)C S667137 [0,2,0,0,0,0|2,0,0]=4 259 B16R1.7381 CCCCNC(=O)NC1=CC(=CC(=C1)C)C S663816 [0,2,0,0,0,0|2,0,0]=4 260 B16R1.7381 CCCCNC(=O)NC1=CC(=CC(=C1)Cl)Cl S711276 [0,2,0,0,0,0|2,0,0]=4 261 B16R1.7381 CCCCNC(=O)OC1=CC(=CC(=C1)Cl)Cl S917257 [0,2,0,0,0,0|2,0,0]=4 262 B16R1.7381 CCCCOC(=O)NC1=CC(=CC(=C1)C)C S668060 [0,2,0,0,0,0|1,0,0]=3 263 B16R1.7381 CCCCOC(=O)NC1=CC(=CC(=C1)Cl)Cl S709379 [0,2,0,0,0,0|1,0,0]=3 264 B16R1.7381 COCCOC(=O)NC1=CC(=CC(=C1)C)C S667838 [0,2,0,0,0,0|2,0,0]=4 265 B16R1.7381 COCCOC(=O)NC1=CC(=CC(=C1)Cl)Cl S708941 [0,2,0,0,0,0|2,0,0]=4 266 B16R1.7389 CCCCNC(=O)NC1=CC=CC(=C1)OC S623725 [0,2,0,0,0,0|2,0,0]=4 267 B16R1.7389 CCCCOC(=O)NC1=CC(=CC=C1)OC S609803 [0,2,0,0,0,0|1,0,0]=3 268 B16R1.11236 CN(C)CCOC(=O)NC1=CC(=CC=C1)Cl S609668 [0,2,0,0,0,0|2,0,0]=4 269 B16R1.4510 CCCCN(CC)C(=O)NC1=CC=CC=C1 S715174 [0,2,0,0,0,0|2,0,0]=4 270 B16R1.7523 CCCCN(C)C(=O)NC1=C(C=CC=C1)C S612863 [0,2,0,0,0,0|2,0,0]=4 271 B16R1.7523 CCCCN(C)C(=O)NC1=C(C=CC=C1)Cl S624179 [0,2,0,0,0,0|2,0,0]=4 272 B16R1.6940 CC(C)CC(C)NC(=O)NC1=CC=CC=C1 R677035 [0,2,0,0,0,0|2,0,0]=4 273 B16R1.7414 CN(C)CCOC(=O)NC1=C(C=CC=C1)Cl S638331 [0,2,0,0,0,0|2,0,0]=4 274 B16R1.7391 CCC1=C(C=CC=C1)NC(=O)OCCOC S667951 [0,2,0,0,0,0|2,0,0]=4 275 B16R1.7391 CCCCNC(=O)NC1=C(C=CC=C1)CC S649805 [0,2,0,0,0,0|2,0,0]=4 276 B16R1.7391 CCCCNC(=O)NC1=CC=CC=C1OC S621714 [0,2,0,0,0,0|2,0,0]=4 277 B16R1.7391 CCCCOC(=O)NC1=C(C=CC=C1)CC S668095 [0,2,0,0,0,0|1,0,0]=3 278 B16R1.22096 CCCCNC(=O)NC1=C(C=CC=C1C)C S650307 [0,2,0,0,0,0|2,0,0]=4 279 B16R1.22096 CCCCNC(=O)NC1=C(C=CC=C1C)Cl S653314 [0,2,0,0,0,0|2,0,0]=4 280 B16R1.22096 CCCCOC(=O)NC1=C(C=CC=C1C)C S666874 [0,2,0,0,0,0|1,0,0]=3 281 B16R1.22096 CCCCSC(=O)NC1=C(C=CC=C1Cl)Cl S710032 [0,2,0,0,0,0|1,1,0]=4 282 B16R1.22096 COCCOC(=O)NC1=C(C=CC=C1C)C S666564 [0,2,0,0,0,0|2,0,0]=4 283 B16R1.22096 COCCOC(=O)NC1=C(C=CC=C1Cl)Cl S709034 [0,2,0,0,0,0|2,0,0]=4 284 B14R2.3 CCCCN1CCC2=C1C=CC=C2 S869902 [1,0,0,1,0,0|1,0,1]=4 285 B14R2.6 C1=CC=C(C=C1)CC2CCCCC2 S511749 [1,0,0,1,0,0|1,0,1]=4 286 B14R2.6 C1=CC=C(C=C1)CC2CCCCN2 PH002329 [1,0,0,1,0,0|1,0,1]=4 287 B14R2.6 C1=CC=C(C=C1)CC2CNCCO2 CDS019174 [1,0,0,1,0,0|1,0,1]=4 288 B14R2.6 C1=CC=C(C=C1)C[C@H]2NCCCO2 PH016293 [1,0,0,1,0,0|1,0,1]=4 289 B14R2.6 C1=CC=C(C=C1)SC2CCCCO2 S865001 [1,0,0,1,0,0|1,0,1]=4 290 B14R2.30 CN1CCOC1=NC2=CC=CC=C2 PH009380 [1,0,0,1,0,0|2,0,0]=4 291 B14R2.1253 C1=CC=C(C=C1)C2=CCCCCC2 S39382 [1,0,0,1,0,0|1,0,1]=4 292 B14R2.1253 C1=CC=C(C=C1)C2C=CCCCC2 S865117 [1,0,0,1,0,0|1,0,0]=3 293 B14R2.1253 C1=CC=C(C=C1)C2CCCCCC2 PH002737 [1,0,0,1,0,0|1,0,1]=4 294 B14R2.1253 C1=CC=C(C=C1)C2CCCCCN2 CDS008961 [1,0,0,1,0,0|2,0,0]=4 295 B14R2.277 CC1CCC(=O)N1C2=CC=CC=C2 PH009065 [1,0,0,1,0,0|1,0,0]=3 296 B14R2.517 CCCN1C(=O)NC2=CC=CC=C12 PH010931 [1,0,0,1,0,0|2,0,0]=4 297 B14R2.9589 O=C(NC1=CC=CC=C1)C2CCC2 T313963 [1,0,0,1,0,0|1,0,0]=3 298 B14R2.114 C=C(C1=CC=CC=C1)C2CCCC2 S960012 [0,0,0,1,1,0|2,0,0]=4 299 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 PH000033 [0,0,0,1,1,0|1,0,0]=3 300 B14R2.114 O=C(C1=CN=CC=C1)N2CCCC2 S398888 [0,0,0,1,1,0|2,0,0]=4 301 B14R2.510 CCOC1OC(=O)C2=C1C=CC=C2 S663018 [0,0,0,1,1,0|1,0,0]=3 302 B14R2.793 O=C(CN1C=CC=C1)N2CCCC2 T313343 [0,0,0,1,1,0|2,0,0]=4 303 B16R2.69 O=C1CCCCCN1CC2=CC=CC=C2 PH004969 [0,0,0,1,0,1|1,0,0]=3 304 B16R2.2238 O=C(/C=C/C1=CC=CC=C1)N2CCCC2 R410365 [0,0,0,1,0,1|1,0,1]=4 305 B16R2.345931 O=C1C=CCCCC2=CC=C(C=C2)CC1 S499323 [0,0,0,1,0,1|1,0,1]=4 306 B16R2.88 O=C(CC1=CC=CC=C1)C2CCCNC2 CBR01273 [0,1,0,1,0,0|1,0,0]=3 307 B16R2.88 O=C(CC1=CC=CC=C1)C2CCCNC2 PH015225 [0,1,0,1,0,0|1,0,0]=3 308 B16R2.88 O=C(NC1=CC=CC=C1)C2CCCNC2 T323683 [0,1,0,1,0,0|2,0,0]=4 309 B16R2.88 O=C(NC1=CC=CC=C1)C2CCNCC2 T323837 [0,1,0,1,0,0|2,0,0]=4 310 B16R2.88 O=C(NC1=CC=CC=C1)N2CCCCC2 T313726 [0,1,0,1,0,0|2,0,0]=4 311 B16R2.88 O=C(NC1=CC=CC=C1)N2CCNCC2 T319872 [0,1,0,1,0,0|2,0,0]=4 312 B16R2.88 O=C(NC1=CC=CC=C1)N2CCOCC2 S591513 [0,1,0,1,0,0|2,0,0]=4 313 B16R2.88 O=C(OC1=CC=CC=C1)N2CCCCC2 S642304 [0,1,0,1,0,0|2,0,0]=4 314 B16R2.524 O=C(CC1=CC=CC=C1)CN2CCCC2 PH012804 [0,1,0,1,0,0|1,0,0]=3 315 B16R2.524 O=C(CC1=CC=CC=C1)NC2CCCC2 R131709 [0,1,0,1,0,0|1,0,0]=3 316 B16R2.524 O=C(NC1=CC=CC=C1)NC2CCNC2 PH010333 [0,1,0,1,0,0|2,0,0]=4 317 B16R2.524 O=C(NC1=CC=CC=C1)OC2CCCC2 S867233 [0,1,0,1,0,0|1,0,0]=3 318 B16R2.133 O=C(NC1=CC=C(C=C1)Cl)N2CCCC2 S281581 [0,1,0,1,0,0|2,0,0]=4 319 B16R2.253 CC1=CC=CC(=C1)NC(=O)N2CCCC2 T323772 [0,1,0,1,0,0|2,0,0]=4 320 B16R2.253 O=C(NC1=CC(=CC=C1)Cl)N2CCCC2 L450081 [0,1,0,1,0,0|2,0,0]=4 321 B16R2.1056 CCCCC1SC2=C(C=CC=C2)NC1=O PH008160 [0,1,0,1,0,0|2,0,0]=4 322 B16R2.27769 CC(OC(=O)NC1=CC=CC=C1)C2CC2 PH008728 [0,1,0,1,0,0|1,0,0]=3 323 B16R2.35 CC1CCC/C(=C\C2=CC=CC=C2)/C1=O T288659 [0,1,0,1,0,0|1,0,1]=4 324 B16R2.492 CC(C)CCOC1=NC2=C(S1)C=CC=C2 R438944 [0,1,0,1,0,0|1,1,0]=4 325 B16R2.2957 O=C(CC1=CC=CC=C1F)N2CCCC2 T314870 [0,1,0,1,0,0|1,0,0]=3 326 B16R2.2957 O=C(NC1=C(C=CC=C1)Cl)N2CCCC2 S674311 [0,1,0,1,0,0|2,0,0]=4 327 B16R2.3983 O=C1CCCCCC1C2=CC=CC=C2Cl PH001484 [0,1,0,1,0,0|1,0,0]=3 328 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [1,0,0,0,1,0|0,0,2]=4 329 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [1,0,0,0,1,0|0,0,2]=4 330 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [1,0,0,0,1,0|1,0,0]=3 331 B12R1.30 CCSCC(=O)C1=CC=CC=C1 S577030 [1,0,0,0,1,0|1,0,0]=3 332 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S412244 [1,0,0,0,1,0|1,1,0]=4 333 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S445061 [1,0,0,0,1,0|1,1,0]=4 334 B12R1.30 O=C(NCCBr)C1=CC=CC=C1 PH010822 [1,0,0,0,1,0|2,0,0]=4 335 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [1,0,0,0,1,0|2,0,0]=4 336 B12R1.30 O=C(OCCI)C1=CC=CC=C1 T245305 [1,0,0,0,1,0|1,0,0]=3 337 B12R1.35 CCCCCC(=O)C1=CC=CO1 CDS001493 [0,0,0,0,2,0|2,0,0]=4 338 B16R1.1694 O=C(CCCCO)NCCC1=CC=CC=C1 S331627 [0,0,0,0,0,2|2,0,0]=4