0 B15R1.78 CCCCNC(=O)/C=C/C1=CC=CC=C1 PH006961 [0,0,0,0,0,0|1,0,0]=1 1 B15R1.78 CCCCNC(=O)COC1=CC=CC=C1 R344524 [0,0,0,0,0,0|2,0,1]=3 2 B15R1.78 CCCCNC(=O)NCC1=CC=CN=C1 S607991 [0,0,0,0,0,0|3,0,1]=4 3 B15R1.78 CCCCNC(=O)OCC1=CC=CC=C1 S898015 [0,0,0,0,0,0|2,0,1]=3 4 B15R1.78 O=C(COC1=CC=CC=C1)NCCCO L131024 [0,0,0,0,0,0|3,0,1]=4 5 B14R1.156 C=CCNC(=O)/C=C/C1=CC=CC=C1 PH001939 [1,0,0,0,0,0|1,0,2]=4 6 B14R1.156 CCCNC(=O)/C=C/C1=CC=CC=C1 PH006955 [1,0,0,0,0,0|1,0,0]=2 7 B14R1.156 CCCNC(=O)COC1=CC=CC=C1 R329312 [1,0,0,0,0,0|2,0,1]=4 8 B14R1.156 CCNCC(=O)NCC1=CC=CC=C1 PH014806 [1,0,0,0,0,0|2,0,1]=4 9 B14R1.156 O=C(CCCCl)NCC1=CC=CC=C1 S529494 [1,0,0,0,0,0|2,0,1]=4 10 B14R1.156 O=C(NCC1=CC=CC=C1)OCCI PH001946 [1,0,0,0,0,0|2,0,1]=4 11 B14R1.156 O=C(NNC1=CC=CC=C1)OCCCl PH009224 [1,0,0,0,0,0|3,0,0]=4 12 B16R1.35 CCCCNC(=N)NC(=O)C1=CC=CC=C1 L101087 [0,1,0,0,0,0|3,0,0]=4 13 B16R1.51 CCCCCC(=O)NCC1=CC=C(C=C1)Cl R714917 [0,1,0,0,0,0|2,0,1]=4 14 B16R1.688 CCCCCCC(=O)NCC1=CC=CC=C1 L173312 [0,1,0,0,0,0|2,0,1]=4 15 B16R1.688 NCCCCCC(=O)OCC1=CC=CC=C1 S33465 [0,1,0,0,0,0|2,0,1]=4 16 B16R1.1216 CCCCNC(=O)C(C)OC1=CC=CC=C1 R345164 [0,1,0,0,0,0|2,0,1]=4 17 B16R2.69 O=C1CCCCCN1CC2=CC=CC=C2 PH004969 [0,0,0,1,0,0|2,0,1]=4 18 B16R2.2238 O=C(/C=C/C1=CC=CC=C1)N2CCCC2 R410365 [0,0,0,1,0,0|1,0,0]=2 19 B14R1.158 C/C=C/COC(=O)NC1=CC=CC=C1 S724408 [0,0,0,0,1,0|1,0,2]=4 20 B14R1.158 CCCCCC(=O)OC1=CC=CC=C1 S657891 [0,0,0,0,1,0|2,0,0]=3 21 B14R1.158 CCCCNC(=O)CC1=CC=CC=C1 R371467 [0,0,0,0,1,0|1,0,1]=3 22 B14R1.158 CCCCNC(=O)NC1=CC=CC=C1 S591246 [0,0,0,0,1,0|2,0,0]=3 23 B14R1.158 CCCCNC(=S)NC1=CC=CC=C1 S520969 [0,0,0,0,1,0|2,1,0]=4 24 B14R1.158 CCCCOC(=O)NC1=CC=CC=C1 S586366 [0,0,0,0,1,0|1,0,0]=2 25 B14R1.158 CCCCSC(=O)NC1=CC=CC=C1 S644005 [0,0,0,0,1,0|1,1,0]=3 26 B14R1.158 CCCCSC(=S)NC1=CC=CC=C1 PH011582 [0,0,0,0,1,0|1,2,0]=4 27 B14R1.158 CCCONC(=O)NC1=CC=CC=C1 R452696 [0,0,0,0,1,0|3,0,0]=4 28 B14R1.158 COCCNC(=O)NC1=CC=CC=C1 S610704 [0,0,0,0,1,0|3,0,0]=4 29 B14R1.158 COCCOC(=O)NC1=CC=CC=C1 S644072 [0,0,0,0,1,0|2,0,0]=3 30 B14R1.158 N#CCCOC(=O)NC1=CC=CC=C1 S645192 [0,0,0,0,1,0|2,0,1]=4 31 B13R1.28 CCCCC/N=C\C1=CC=CC=C1 PH008433 [2,0,0,0,0,0|1,0,1]=4 32 B13R1.42 CCCC(=O)NCC1=CC=CC=C1 R343269 [2,0,0,0,0,0|1,0,1]=4 33 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 PH007173 [2,0,0,0,0,0|2,0,0]=4 34 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 CDS003195 [2,0,0,0,0,0|1,0,1]=4 35 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 PH005137 [2,0,0,0,0,0|1,0,1]=4 36 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 PH011548 [2,0,0,0,0,0|1,0,1]=4 37 B13R1.42 CCOC(=O)NNC1=CC=CC=C1 S512680 [2,0,0,0,0,0|2,0,0]=4 38 B15R1.83 CCCCONC(=O)NC1=CC=CC=C1 R270873 [1,1,0,0,0,0|2,0,0]=4 39 B15R1.139 CCCCC(=O)NNC1=CC=C(C=C1)C S288780 [1,1,0,0,0,0|2,0,0]=4 40 B15R1.139 CCCNC(=O)/C=C/C1=CC=C(C=C1)Cl PH007013 [1,1,0,0,0,0|1,0,0]=3 41 B15R1.741 CCC(C)NC(=O)/C=C/C1=CC=CC=C1 PH006956 [1,1,0,0,0,0|1,0,0]=3 42 B15R1.741 CCC(C)OC(=O)/C=C/C1=CC=CC=C1 PH000647 [1,1,0,0,0,0|0,0,0]=2 43 B15R1.826 CCCC(N)C(=O)OCC1=CC=CC=C1 S783625 [1,1,0,0,0,0|1,0,1]=4 44 B15R1.5919 O=C(O)CCC(=O)/C=C/C1=CC=CC=C1 S656682 [1,1,0,0,0,0|1,0,1]=4 45 B15R1.93 CCCCNC(=O)N(C)C1=CC=CC=C1 S603449 [0,1,0,0,1,0|2,0,0]=4 46 B15R1.93 CCCCOC(=O)C(O)C1=CC=CC=C1 PH015120 [0,1,0,0,1,0|0,0,1]=3 47 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)Br S665681 [0,1,0,0,1,0|2,0,0]=4 48 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)C S613096 [0,1,0,0,1,0|2,0,0]=4 49 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)Cl S279692 [0,1,0,0,1,0|2,0,0]=4 50 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)Cl S591416 [0,1,0,0,1,0|2,0,0]=4 51 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)F S601691 [0,1,0,0,1,0|2,0,0]=4 52 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)O S562416 [0,1,0,0,1,0|2,0,0]=4 53 B15R1.128 CCCCNC(=O)SC1=CC=C(C=C1)O S727954 [0,1,0,0,1,0|2,0,0]=4 54 B15R1.128 CCCCOC(=O)NC1=CC=C(C=C1)Br S594075 [0,1,0,0,1,0|1,0,0]=3 55 B15R1.128 CCCCOC(=O)NC1=CC=C(C=C1)C S643815 [0,1,0,0,1,0|1,0,0]=3 56 B15R1.128 CCCCOC(=O)NC1=CC=C(C=C1)Cl S586404 [0,1,0,0,1,0|1,0,0]=3 57 B15R1.128 CCCCSC(=O)NC1=CC=C(C=C1)Br S595802 [0,1,0,0,1,0|1,1,0]=4 58 B15R1.128 COCCOC(=O)NC1=CC=C(C=C1)Br S667110 [0,1,0,0,1,0|2,0,0]=4 59 B15R1.128 COCCOC(=O)NC1=CC=C(C=C1)Cl S644145 [0,1,0,0,1,0|2,0,0]=4 60 B15R1.129 CCCCNC(=O)NC1=CC(=CC=C1)C S646539 [0,1,0,0,1,0|2,0,0]=4 61 B15R1.129 CCCCNC(=O)NC1=CC(=CC=C1)Cl S623709 [0,1,0,0,1,0|2,0,0]=4 62 B15R1.129 CCCCSC(=O)NC1=CC(=CC=C1)C S647071 [0,1,0,0,1,0|1,1,0]=4 63 B15R1.129 CCCCSC(=O)NC1=CC(=CC=C1)Cl S595810 [0,1,0,0,1,0|1,1,0]=4 64 B15R1.129 COCCOC(=O)NC1=CC(=CC=C1)Cl S638072 [0,1,0,0,1,0|2,0,0]=4 65 B15R1.809 CCCC(C)NC(=O)CC1=CC=CC=C1 R268984 [0,1,0,0,1,0|1,0,1]=4 66 B15R1.809 CCCC(C)NC(=O)NC1=CC=CC=C1 R677140 [0,1,0,0,1,0|2,0,0]=4 67 B15R1.1035 CCCCC/C(=C\C1=CC=CC=C1)/CO S528129 [0,1,0,0,1,0|1,0,1]=4 68 B15R1.1081 CN(C)CCOC(=O)NC1=CC=CC=C1 S638358 [0,1,0,0,1,0|2,0,0]=4 69 B15R1.1409 CCCCNC(=O)NC1=C(C=CC=C1)C S646598 [0,1,0,0,1,0|2,0,0]=4 70 B15R1.1409 CCCCNC(=O)NC1=C(C=CC=C1)Cl S621587 [0,1,0,0,1,0|2,0,0]=4 71 B15R1.1409 CCCCNC(=O)NC1=C(C=CC=C1)F S898163 [0,1,0,0,1,0|2,0,0]=4 72 B15R1.1409 CCCCOC(=O)NC1=C(C=CC=C1)C S606944 [0,1,0,0,1,0|1,0,0]=3 73 B15R1.1409 COCCOC(=O)NC1=C(C=CC=C1)C S666653 [0,1,0,0,1,0|2,0,0]=4 74 B15R1.1409 COCCOC(=O)NC1=C(C=CC=C1)Cl S638544 [0,1,0,0,1,0|2,0,0]=4 75 B17R1.1909 CCCCOC(=O)C(O)CCC1=CC=CC=C1 PH000743 [0,1,0,0,0,1|0,0,2]=4 76 B17R1.1258 CCCCNC(=O)C(=O)NC1=CC=CC(=C1)Cl PH006375 [0,2,0,0,0,0|2,0,0]=4 77 B15R2.2169 C1=CC=C(C=C1)C2C=CCCCCC2 S865303 [1,0,0,1,0,0|1,0,1]=4 78 B15R2.18471 CCOCC1=CC=CC2=C1C=CC=C2 S349445 [1,0,0,1,0,0|2,0,0]=4 79 B15R2.283 CC1COC(O1)/C=C/C2=CC=CC=C2 S947539 [1,0,0,1,0,0|0,0,2]=4 80 B15R2.352 CCCCC1=NC2=C(C=CC=C2)C=C1 S825042 [1,0,0,1,0,0|1,0,0]=3 81 B15R2.352 CCCOC1=CC2=C(C=CC=C2)C=C1 S648051 [1,0,0,1,0,0|1,0,0]=3 82 B15R2.352 OCCOC1=CC2=C(C=CC=C2)C=C1 S939714 [1,0,0,1,0,0|2,0,0]=4 83 B15R2.355 CC\1=NOC(=O)/C1=C\C2=CC=CC=C2 PH000769 [1,0,0,1,0,0|1,0,1]=4 84 B15R2.9941 NCCN1C(=O)C=CC2=CC=CC=C12 PH019239 [1,0,0,1,0,0|2,0,0]=4 85 B15R2.64 O=C(NC1=CC=CC=C1)C2CCCC2 T316466 [0,0,0,1,1,0|2,0,0]=4 86 B15R2.64 O=C(NC1=CC=CC=C1)N2CCCC2 R748234 [0,0,0,1,1,0|2,0,0]=4 87 B17R2.138581 CCCCN1C(=CC(=O)C2=CC=CC=C12)C T322318 [0,1,0,1,0,0|2,0,0]=4 88 B17R2.138581 CCCCN1C(=O)CC(=O)C2=C1C=CC=C2 R396818 [0,1,0,1,0,0|1,0,1]=4 89 B17R2.202 O=C(/C=C/C1=CC=C(C=C1)Cl)N2CCCC2 R639257 [0,1,0,1,0,0|1,0,0]=3 90 B17R2.2342 O=C(/C=C/C1=CC=CC=C1)N2CCCCC2 PH000216 [0,1,0,1,0,0|1,0,0]=3 91 B17R3.1917 C1=CC=C2C=C(C=CC2=C1)N3CCCC3 T162353 [0,0,0,2,0,0|2,0,0]=4 92 B17R3.648661 C1=CC=C2C=C(C=CC2=C1)OCC3CO3 PH011139 [0,0,0,2,0,0|2,0,0]=4 93 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 S591378 [1,0,0,0,1,0|2,0,0]=4 94 B13R1.44 CCCSC(=O)NC1=CC=CC=C1 S643947 [1,0,0,0,1,0|1,1,0]=4 95 B13R1.44 O=C(CCCCl)OC1=CC=CC=C1 S354538 [1,0,0,0,1,0|2,0,0]=4 96 B13R1.44 O=C(NC1=CC=CC=C1)OCCBr S711675 [1,0,0,0,1,0|2,0,0]=4 97 B13R1.44 O=C(NC1=CC=CC=C1)OCCCl S594172 [1,0,0,0,1,0|2,0,0]=4 98 B13R1.24 C=CCCOC(=O)C1=CC=CC=C1 T273716 [0,0,0,0,2,0|0,0,2]=4 99 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 R128538 [0,0,0,0,2,0|1,0,0]=3 100 B13R1.24 CCCCOC(=O)C1=CC=CC=N1 S343129 [0,0,0,0,2,0|1,0,0]=3 101 B13R1.24 C[Se]CCNC(=O)C1=CC=CC=C1 S893110 [0,0,0,0,2,0|2,0,0]=4