0 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 HR124115 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.28 BrCCCCOCC1=CC=CC=C1 HR141372 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.28 OCCCCOCC1=CC=CC=C1 HR103223 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 HR108706 [1,0,0,0,0,0|0,0,2]=3 4 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 HR101607 [1,0,0,0,0,0|0,0,0]=1 5 B15R1.83 CCCCCOC(=O)CC1=CC=CC=C1 HR142378 [0,1,0,0,0,0|0,0,0]=1 6 B15R1.93 CCCCOC(=O)C(O)C1=CC=CC=C1 HR112975 [0,1,0,0,0,0|0,0,0]=1 7 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 HR118970 [0,1,0,0,0,0|2,0,1]=4 8 B15R1.1035 CCCCC\C(C=O)=C\c1ccccc1 HR131047 [0,1,0,0,0,0|1,0,1]=3 9 B15R1.1081 CC(C)CCOC(=O)CC1=CC=CC=C1 HR132320 [0,1,0,0,0,0|0,0,0]=1 10 B15R2.541 CN1CCNC(=O)C1C2=CC=CC=C2 HR33234 [0,0,0,1,0,0|2,0,0]=3 11 B15R2.1435 CCCCN1C(C)=CC2=CC=CC=C21 HR118629 [0,0,0,1,0,0|2,0,1]=4 12 B15R2.2203 CCCCCC1=NC2=C(C=CC=C2)N1 HR105074 [0,0,0,1,0,0|3,0,0]=4 13 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 HR140038 [0,0,0,0,1,0|1,0,0]=2 14 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 HR126792 [0,0,0,0,1,0|0,0,0]=1 15 B13R1.24 CCCCOC(=O)c1cccnc1 HR113502 [0,0,0,0,1,0|1,0,0]=2 16 B13R1.24 NCCCCC(=O)c1cccnc1 HR119426 [0,0,0,0,1,0|3,0,0]=4 17 B15R1.78 C#CCCNC(=O)OCc1ccccc1 HR114660 [0,0,0,0,0,1|1,0,2]=4 18 B15R1.78 CCCCOC(=O)\C=C\c1ccccc1 HR125465 [0,0,0,0,0,1|0,0,1]=2 19 B15R1.78 NCCCNC(=O)OCC1=CC=CC=C1 HR115037 [0,0,0,0,0,1|2,0,0]=3 20 B15R1.78 O=CCCNC(=O)OCC1=CC=CC=C1 HR136776 [0,0,0,0,0,1|2,0,1]=4 21 B12R1.8 BrCCCCCC1=CC=CC=C1 HR125680 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.8 BrCCCOCC1=CC=CC=C1 HR114819 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.8 CCCCCCC1=CC=CC=C1 HR143920 [2,0,0,0,0,0|0,0,1]=3 24 B12R1.8 CCCCCCC1=NC=CC=C1 HR126066 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.8 CCCCCC[N+]1=CC=CC=C1 HR102492 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.8 CCCCOCC1=CC=CC=C1 HR130481 [2,0,0,0,0,0|0,0,0]=2 27 B12R1.8 N#CCCOCC1=CC=CC=C1 HR125071 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.8 NCCCNCC1=CC=CC=C1 HR116988 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.8 OCCCCCC1=CC=CC=C1 HR33287 [2,0,0,0,0,0|1,0,1]=4 30 B12R1.8 OCCCNCC1=CC=CC=C1 HR105111 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.8 OCCCNCC1=CC=CC=C1 HR116188 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.8 OCCCOCC1=CC=CC=C1 HR130376 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.32 CCCC(=O)OC1=CC=CC=C1 HR119436 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.32 CCCC(=O)OC1=CC=CC=C1 HR134591 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.32 CCOC(=O)CC1=CC=CC=C1 HR133131 [2,0,0,0,0,0|0,0,0]=2 36 B12R1.32 CCOC(=O)CC1=CC=CN=C1 HR102621 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.32 CCOC(=O)CC1=CC=NC=C1 HR114346 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.32 CCOC(=O)CC1=NC=CC=C1 HR114031 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.32 CCOC(=O)CC1=NC=CC=N1 HR114839 [2,0,0,0,0,0|2,0,0]=4 40 B14R1.14 CCCCCCCC1=CC=C(Br)C=C1 HR104609 [1,1,0,0,0,0|1,0,1]=4 41 B14R1.14 CCCCCCCC1=CC=C(N)C=C1 HR136043 [1,1,0,0,0,0|1,0,1]=4 42 B14R1.14 CCCCCCCc1ccc(O)cc1 HR124141 [1,1,0,0,0,0|1,0,1]=4 43 B14R1.123 CCCCCCCCC1=CC=CC=C1 HR140232 [1,1,0,0,0,0|1,0,1]=4 44 B14R1.123 CCCCCCCNC1=CC=CC=C1 HR111622 [1,1,0,0,0,0|1,0,1]=4 45 B14R1.123 NCCCOCCOC1=CC=CC=C1 HR136032 [1,1,0,0,0,0|1,0,1]=4 46 B14R1.422 CC(C)CCOCCC1=CC=CC=C1 HR109585 [1,1,0,0,0,0|0,0,1]=3 47 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 HR109263 [1,1,0,0,0,0|0,0,2]=4 48 B14R1.60 CCOC(=O)C(=O)CC1=CC=CC=C1 HR103827 [1,1,0,0,0,0|1,0,1]=4 49 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 HR132867 [1,1,0,0,0,0|0,0,0]=2 50 B14R1.19 CCCCCC(=O)c1ccc(O)cc1 HR135801 [0,1,0,0,1,0|1,0,0]=3 51 B14R1.19 CCCCOC(=O)C1=CC=C(O)C=C1 HR122791 [0,1,0,0,1,0|0,0,0]=2 52 B14R1.19 CCCCOC(=O)C1=CC=C(O)C=C1 HR133172 [0,1,0,0,1,0|0,0,0]=2 53 B14R1.19 CCCCOC(=O)c1ccc(N)cc1 HR131018 [0,1,0,0,1,0|0,0,0]=2 54 B14R1.46 CCCCNS(=O)(=O)C1=CC=CC=C1 HR128941 [0,1,0,0,1,0|2,0,0]=4 55 B14R1.163 O=C(OCC(O)CO)C1=CC=CC=C1 APSA07214 [0,1,0,0,1,0|1,0,0]=3 56 B14R1.420 CC(C)CCOC(=O)C1=CC=CC=C1 HR133921 [0,1,0,0,1,0|0,0,0]=2 57 B14R1.420 CN(C)CCOC(=O)C1=CC=CC=C1 HR136932 [0,1,0,0,1,0|1,0,0]=3 58 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1O HR125171 [0,1,0,0,1,0|0,0,0]=2 59 B16R1.35 CCCCOC(=O)CC(=O)C1=CC=CC=C1 HR112299 [0,1,0,0,0,1|0,0,0]=2 60 B16R1.608 CC(C)CCOC(=O)\C=C\C1=CC=CC=C1 HR133273 [0,1,0,0,0,1|0,0,1]=3 61 B16R1.688 CCCCCOC(=O)\C=C\C1=CC=CC=C1 HR138120 [0,1,0,0,0,1|0,0,1]=3 62 B16R1.688 CCCCOCC(O)COC1=CC=CC=C1 HR132626 [0,1,0,0,0,1|0,0,2]=4 63 B16R1.693 CC\C=C\CCOC(=O)CC1=CC=CC=C1 HR119440 [0,2,0,0,0,0|0,0,0]=2 64 B16R1.1407 CCCCCC\C(C=O)=C\C1=CC=CC=C1 HR127392 [0,2,0,0,0,0|1,0,1]=4 65 B14R2.3 CCCCN1C=NC2=C1C=CC=C2 HR119796 [1,0,0,1,0,0|2,0,0]=4 66 B14R2.6 C1=CC=C(CC2CCCCN2)C=C1 HR139007 [1,0,0,1,0,0|1,0,1]=4 67 B14R2.6 C1=CC=C(CC2CCCCN2)C=C1 HR14169 [1,0,0,1,0,0|1,0,1]=4 68 B14R2.6 C1=CC=C(CC2CNCCO2)C=C1 HR145923 [1,0,0,1,0,0|1,0,1]=4 69 B14R2.6 C1=CC=C(CC2CNCCO2)C=C1 HR145925 [1,0,0,1,0,0|1,0,1]=4 70 B14R2.6 C1=CC=C(CC2CNCCO2)C=C1 HR146022 [1,0,0,1,0,0|1,0,1]=4 71 B14R2.6 C1=CC=C(CN2CCCCC2)C=C1 HR120294 [1,0,0,1,0,0|2,0,0]=4 72 B14R2.6 C1=CC=C(OC2CCCCO2)C=C1 HR153952 [1,0,0,1,0,0|1,0,1]=4 73 B14R2.101 C1=CC=C(CNC2CCCC2)C=C1 HR141758 [1,0,0,1,0,0|2,0,0]=4 74 B14R2.1253 C1=CC=C(C2CCCCCN2)C=C1 HR106360 [1,0,0,1,0,0|2,0,0]=4 75 B14R2.67 CCCCC1=CC2=C(C=CC=C2)O1 HR123031 [1,0,0,1,0,0|0,0,2]=4 76 B14R2.67 CCCCC1=NC2=C(C=CC=C2)N1 HR100839 [1,0,0,1,0,0|2,0,0]=4 77 B14R2.510 CC\C=C1\OC(=O)C2=CC=CC=C21 HR141405 [0,0,0,1,1,0|0,0,2]=4 78 B16R2.2238 O=C(OCC1=CC=CC=C1)C2CCCN2 HR130246 [0,0,0,1,0,1|2,0,0]=4 79 B16R2.2238 O=C(OCC1=CC=CC=C1)C2CCCN2 HR149037 [0,0,0,1,0,1|2,0,0]=4 80 B16R2.44148 O=C(NC1CNC1)OCC2=CC=CC=C2 HR108741 [0,0,0,1,0,1|2,0,0]=4 81 B16R2.88 O=C(CC1=CC=CC=C1)C2CCCCC2 HR130463 [0,1,0,1,0,0|1,0,0]=3 82 B12R1.30 C#CCOC(=O)C1=CC=CC=C1 HR154538 [1,0,0,0,1,0|0,0,2]=4 83 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HR134818 [1,0,0,0,1,0|0,0,0]=2 84 B12R1.30 CCCCC(O)C1=CC=CC=C1 HR142459 [1,0,0,0,1,0|0,0,2]=4 85 B12R1.30 CCCOC(=O)C1=CC=CC=C1 HR120887 [1,0,0,0,1,0|0,0,0]=2 86 B12R1.30 O=C(CCCO)C1=CC=CC=C1 HR129432 [1,0,0,0,1,0|1,0,0]=3 87 B12R1.30 O=C(NCCCl)C1=CC=CC=C1 HR143643 [1,0,0,0,1,0|2,0,0]=4 88 B12R1.30 O=C(OCCBr)C1=CC=CC=C1 HR106956 [1,0,0,0,1,0|1,0,0]=3 89 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 HR118335 [1,0,0,0,1,0|1,0,0]=3