0 B14R1.46 CCC/C=C/S(=O)(=O)C1=CC=CC=C1 S863246 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.46 O=S(=O)(NCCCBr)C1=CC=CC=C1 R582506 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 R128538 [1,0,0,0,0,0|1,0,0]=2 3 B13R1.24 CCCCNC(C)C1=CC=CC=C1 R592528 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.24 CCCCOC(=O)C1=CC=CC=N1 S343129 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.24 C[Se]CCNC(=O)C1=CC=CC=C1 S893110 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.122 C=CCNS(=O)(=O)C1=CC=CC=C1 R150207 [1,0,0,0,0,0|0,0,2]=3 7 B13R1.122 CCCCS(=O)(=O)C1=CC=CC=C1 S799262 [1,0,0,0,0,0|0,0,0]=1 8 B13R1.122 COCCS(=O)(=O)C1=CC=CC=C1 T285137 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.122 N#CCCS(=O)(=O)C1=CC=CC=C1 R278645 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.122 O=S(=O)(NCCCl)C1=CC=CC=C1 R151564 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.122 O=S(=O)(NCCO)C1=CC=CC=C1 PH010551 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.122 O=S(=O)(OCCBr)C1=CC=CC=C1 S832782 [1,0,0,0,0,0|2,0,0]=3 13 B15R1.38 C=CCONS(=O)(=O)C1=CC=C(C=C1)C R354139 [0,1,0,0,0,0|1,0,2]=4 14 B15R1.38 CC1=CC=C(C=C1)S(=O)(=O)OCCC#N PH000214 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.38 CC1=CC=C(C=C1)S(=O)(=O)OCCCCl S820156 [0,1,0,0,0,0|2,0,0]=3 16 B15R1.38 CC1=CC=C(C=C1)S(=O)(=O)OCCCI T291951 [0,1,0,0,0,0|2,0,0]=3 17 B15R1.38 CCCCCS(=O)(=O)C1=CC=C(C=C1)C S809020 [0,1,0,0,0,0|1,0,0]=2 18 B15R1.38 CCCCNS(=O)(=O)C1=CC=C(C=C1)C S410578 [0,1,0,0,0,0|0,0,0]=1 19 B15R1.38 COCCOS(=O)(=O)C1=CC=C(C=C1)C T286087 [0,1,0,0,0,0|2,0,0]=3 20 B15R1.490 O=C(O)CCCS(=O)(=O)C1=CC=CC=C1 CDS020990 [0,1,0,0,0,0|2,0,1]=4 21 B15R1.536 CCCC/C=C/S(=O)(=O)C1=CC=CC=C1 T211680 [0,1,0,0,0,0|1,0,0]=2 22 B15R1.536 CCCCNCC(C)(O)C1=CC=CC=C1 PH014973 [0,1,0,0,0,0|2,0,1]=4 23 B15R1.1094 CNC(=S)NNS(=O)(=O)C1=CC=CC=C1 S869376 [0,1,0,0,0,0|2,0,1]=4 24 B15R1.1094 COC(=O)CCS(=O)(=O)C1=CC=CC=C1 S614548 [0,1,0,0,0,0|2,0,1]=4 25 B15R2.353 O=S(=O)(C1=CC=CC=C1)C2=CCCC2 T211699 [0,0,0,1,0,0|1,0,1]=3 26 B15R2.353 O=S(=O)(C1=CC=CC=C1)C2=CCOC2 T211710 [0,0,0,1,0,0|2,0,1]=4 27 B15R2.353 O=S(=O)(C1=CC=CC=C1)C2CCNC2 PH016278 [0,0,0,1,0,0|2,0,0]=3 28 B15R2.65988 O=C1CCCS(=O)(=O)C2=CC=CC=C12 T312770 [0,0,0,1,0,0|2,0,1]=4 29 B15R1.2074 CCCCNS(=O)(=O)CC1=CC=CC=C1 R577138 [0,0,0,0,0,1|0,0,0]=1 30 B15R1.2074 O=S(=O)(CCCCCl)CC1=CC=CC=C1 S799157 [0,0,0,0,0,1|2,0,0]=3 31 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [2,0,0,0,0,0|1,1,0]=4 32 B12R1.8 CCCCN=CC1=CC=CC=C1 S381322 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.8 OCCCNCC1=CC=CC=C1 S376310 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.30 CCSCC(=O)C1=CC=CC=C1 S577030 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.30 O=C(NCCBr)C1=CC=CC=C1 PH010822 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.39 CCCS(=O)(=O)C1=CC=CC=C1 PH006990 [2,0,0,0,0,0|0,0,0]=2 41 B12R1.39 CCNS(=O)(=O)C1=CC=CC=C1 PH009839 [2,0,0,0,0,0|0,0,0]=2 42 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 CDS008511 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 PH011695 [2,0,0,0,0,0|1,0,0]=3 44 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)Cl S759295 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.20 CCCCNC(=O)C1=CC(=CC=C1)Cl R704067 [1,1,0,0,0,0|1,0,0]=3 46 B14R1.20 CCCCNC(=O)C1=CC=CC(=C1)N S632309 [1,1,0,0,0,0|1,0,0]=3 47 B14R1.29 CCCC(C)NC(=O)C1=CC=CC=C1 R269034 [1,1,0,0,0,0|1,0,0]=3 48 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 CDS000554 [1,1,0,0,0,0|2,0,0]=4 49 B14R1.38 O=C(NCCCCO)C1=CC=CC=C1 PH003561 [1,1,0,0,0,0|1,0,0]=3 50 B14R1.38 O=C(OCCCCCl)C1=CC=CC=C1 S389447 [1,1,0,0,0,0|2,0,0]=4 51 B14R1.38 [C@H](C)(NCCCNC)C1=CC=CC=C1 R644331 [1,1,0,0,0,0|2,0,0]=4 52 B14R1.1035 CCCCNC(=O)C1=C(C=CC=C1)Cl R703893 [1,1,0,0,0,0|1,0,0]=3 53 B14R1.125 C#CCNS(=O)(=O)C1=CC=C(C=C1)Br CDS021834 [1,1,0,0,0,0|0,0,2]=4 54 B14R1.125 C#CCNS(=O)(=O)C1=CC=C(C=C1)C T316946 [1,1,0,0,0,0|0,0,2]=4 55 B14R1.125 C#CCNS(=O)(=O)C1=CC=C(C=C1)Cl CDS020687 [1,1,0,0,0,0|0,0,2]=4 56 B14R1.125 C#CCNS(=O)(=O)C1=CC=C(C=C1)F CDS021835 [1,1,0,0,0,0|0,0,2]=4 57 B14R1.125 C=CCNS(=O)(=O)C1=CC=C(C=C1)Br PH010690 [1,1,0,0,0,0|0,0,2]=4 58 B14R1.125 C=CCNS(=O)(=O)C1=CC=C(C=C1)C S38734 [1,1,0,0,0,0|0,0,2]=4 59 B14R1.125 CC1=CC=C(C=C1)S(=O)(=O)CCC#N S194999 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.125 CC1=CC=C(C=C1)S(=O)(=O)CCC#N S205354 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.125 CC1=CC=C(C=C1)S(=O)(=O)CCCCl S775649 [1,1,0,0,0,0|1,0,0]=3 62 B14R1.125 CC1=CC=C(C=C1)S(=O)(=O)NCCBr PH010820 [1,1,0,0,0,0|1,0,0]=3 63 B14R1.125 CC1=CC=C(C=C1)S(=O)(=O)NCCCl TMT00093 [1,1,0,0,0,0|1,0,0]=3 64 B14R1.125 CCCCS(=O)(=O)C1=CC=C(C=C1)C S820121 [1,1,0,0,0,0|0,0,0]=2 65 B14R1.125 CCCOS(=O)(=O)C1=CC=C(C=C1)C PH000103 [1,1,0,0,0,0|1,0,0]=3 66 B14R1.125 CCONS(=O)(=O)C1=CC=C(C=C1)C R270954 [1,1,0,0,0,0|1,0,0]=3 67 B14R1.125 N#CCCS(=O)(=O)C1=CC=C(C=C1)Cl S205346 [1,1,0,0,0,0|1,0,1]=4 68 B14R1.125 NC1=CC=C(C=C1)S(=O)(=O)NCCO S671754 [1,1,0,0,0,0|1,0,0]=3 69 B14R1.125 O=S(=O)(NCCBr)C1=CC=C(C=C1)Cl PH015510 [1,1,0,0,0,0|1,0,0]=3 70 B14R1.125 O=S(=O)(NCCO)C1=CC=C(C=C1)Br PH010866 [1,1,0,0,0,0|1,0,0]=3 71 B14R1.741 CC(C#N)CS(=O)(=O)C1=CC=CC=C1 PH004580 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.741 COC(=O)NS(=O)(=O)C1=CC=CC=C1 R466158 [1,1,0,0,0,0|1,0,1]=4 73 B14R1.813 CC(=CCS(=O)(=O)C1=CC=CC=C1)C T203556 [1,1,0,0,0,0|0,0,2]=4 74 B14R1.813 CC(=NNS(=O)(=O)C1=CC=CC=C1)C S870544 [1,1,0,0,0,0|1,0,1]=4 75 B14R1.813 CC(=O)CCS(=O)(=O)C1=CC=CC=C1 T223158 [1,1,0,0,0,0|0,0,1]=3 76 B14R1.813 NC(=O)CCS(=O)(=O)C1=CC=CC=C1 S194832 [1,1,0,0,0,0|1,0,1]=4 77 B14R1.813 O=C(O)CNS(=O)(=O)C1=CC=CC=C1 OTV000052 [1,1,0,0,0,0|1,0,1]=4 78 B14R1.4230 CCCCS(=O)(=O)C1=CC=CC=C1C S803715 [1,1,0,0,0,0|0,0,0]=2 79 B16R1.647 C=CCCCOS(=O)(=O)C1=CC=C(C=C1)C PH008550 [0,2,0,0,0,0|1,0,1]=4 80 B16R1.647 CC1=CC=C(C=C1)S(=O)(=O)OCCCCCl PH005783 [0,2,0,0,0,0|1,0,0]=3 81 B16R1.647 CCCCCOS(=O)(=O)C1=CC=C(C=C1)C S832847 [0,2,0,0,0,0|1,0,0]=3 82 B16R1.647 COCCCNS(=O)(=O)C1=CC=C(C=C1)N CDS022974 [0,2,0,0,0,0|0,0,0]=2 83 B16R1.647 COCCCOS(=O)(=O)C1=CC=C(C=C1)C PH014619 [0,2,0,0,0,0|1,0,0]=3 84 B16R1.953 CCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C S380628 [0,2,0,0,0,0|1,0,1]=4 85 B16R1.953 CCOC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl PH006333 [0,2,0,0,0,0|1,0,1]=4 86 B16R1.1303 CC[C@H](C)COS(=O)(=O)C1=CC=C(C=C1)C R277975 [0,2,0,0,0,0|1,0,0]=3 87 B16R1.1303 COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)Br EME00175 [0,2,0,0,0,0|1,0,1]=4 88 B16R1.1303 N#CC(Cl)CNS(=O)(=O)C1=CC=C(C=C1)Cl R469483 [0,2,0,0,0,0|1,0,1]=4 89 B16R1.4813 N#CCCNS(=O)(=O)C1=CC(=C(C=C1)Cl)N S463450 [0,2,0,0,0,0|1,0,1]=4 90 B16R1.4790 COCCNS(=O)(=O)C1=C(C=CC(=C1)Cl)Cl R575127 [0,2,0,0,0,0|1,0,0]=3 91 B16R1.1277 CC(=O)NCCNS(=O)(=O)C1=CC=CC=C1 R369152 [0,2,0,0,0,0|0,0,1]=3 92 B16R1.1495 CCCNC(=O)NS(=O)(=O)C1=CC=CC=C1 PH000258 [0,2,0,0,0,0|0,0,1]=3 93 B16R1.1553 CCOC(=O)NCS(=O)(=O)C1=CC=CC=C1 S803855 [0,2,0,0,0,0|1,0,1]=4 94 B16R1.1658 CCC(Br)C(=O)NS(=O)(=O)C1=CC=CC=C1 R366099 [0,2,0,0,0,0|0,0,1]=3 95 B16R1.14112 CCC(=NNS(=O)(=O)C1=CC=CC=C1)CC T283738 [0,2,0,0,0,0|1,0,1]=4 96 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 PH000033 [1,0,0,1,0,0|2,0,0]=4 97 B14R2.114 O=C(C1=CN=CC=C1)N2CCCC2 S398888 [1,0,0,1,0,0|2,0,0]=4 98 B14R2.1253 C1=CC=C(C=C1)C2CCCCCN2 CDS008961 [1,0,0,1,0,0|2,0,0]=4 99 B14R2.29285 O=C1CCS(=O)(=O)C2=CC=CC=C12 T324698 [1,0,0,1,0,0|1,0,1]=4 100 B14R2.4563 O=S(=O)(C1=CC=CS1)N2CCCC2 T311812 [0,0,0,1,1,0|1,0,0]=3 101 B16R2.129 O=C1C=CC(=CN1)S(=O)(=O)N2CCCC2 T325708 [0,1,0,1,0,0|1,0,0]=3 102 B16R2.129 O=S(=O)(C1=CC=C(C=C1)Cl)N2CCCC2 T319392 [0,1,0,1,0,0|0,0,0]=2 103 B16R2.129 O=S(=O)(C1=CC=C(N=C1)Cl)N2CCCC2 T314609 [0,1,0,1,0,0|1,0,0]=3 104 B16R2.2834 O=C1CCN(C1)S(=O)(=O)C2=CC=CC=C2 T300063 [0,1,0,1,0,0|0,0,1]=3 105 B16R2.2945 O=S(=O)(C1=CC=CC=C1)C2CCCCC2 S799416 [0,1,0,1,0,0|1,0,0]=3 106 B16R2.2945 O=S(=O)(C1=CC=CC=C1)N2CCCCC2 PH010036 [0,1,0,1,0,0|0,0,0]=2 107 B16R2.2945 O=S(=O)(C1=CC=CC=C1)N2CCNCC2 L204471 [0,1,0,1,0,0|0,0,0]=2 108 B16R2.2945 O=S(=O)(C1=CC=CC=C1)N2CCOCC2 T300365 [0,1,0,1,0,0|0,0,0]=2 109 B16R2.2945 O=S(=O)(C1=CN=CC=C1)N2CCOCC2 S761036 [0,1,0,1,0,0|1,0,0]=3 110 B14R1.158 CCCCCC(=O)OC1=CC=CC=C1 S657891 [1,0,0,0,0,1|2,0,0]=4 111 B14R1.158 CCCCNC(=O)CC1=CC=CC=C1 R371467 [1,0,0,0,0,1|1,0,0]=3 112 B14R1.158 CCCCNC(=O)NC1=CC=CC=C1 S591246 [1,0,0,0,0,1|1,0,0]=3 113 B14R1.158 CCCCNC(=S)NC1=CC=CC=C1 S520969 [1,0,0,0,0,1|1,1,0]=4 114 B14R1.158 CCCCOC(=O)NC1=CC=CC=C1 S586366 [1,0,0,0,0,1|2,0,0]=4 115 B14R1.158 CCCCSC(=O)NC1=CC=CC=C1 S644005 [1,0,0,0,0,1|2,0,0]=4 116 B14R1.158 CCCONC(=O)NC1=CC=CC=C1 R452696 [1,0,0,0,0,1|2,0,0]=4 117 B14R1.158 COCCNC(=O)NC1=CC=CC=C1 S610704 [1,0,0,0,0,1|2,0,0]=4 118 B14R1.4528 CCCCS(=O)(=O)CC1=CC=CC=C1 S799459 [1,0,0,0,0,1|0,0,0]=2 119 B14R1.4528 N#CCCS(=O)(=O)OC1=CC=CC=C1 S44688 [1,0,0,0,0,1|1,0,1]=4 120 B14R1.4528 O=S(=O)(CCCCl)CC1=CC=CC=C1 T165298 [1,0,0,0,0,1|1,0,0]=3