0 B13R1.536 CCC(=O)NCCCc1ccco1 CSC046968056 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.37 CCCCCNCc1ccco1 CSC000199926 [1,0,0,0,0,0|2,0,1]=4 2 B12R1.37 COCCCNCc1ccco1 CSC000200569 [1,0,0,0,0,0|1,0,1]=3 3 B12R1.37 COCCCNCc1cccs1 CSC000200563 [1,0,0,0,0,0|1,1,1]=4 4 B12R1.255 CC(C)CCNCc1ccco1 CSC000200831 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.255 NC(=O)CCNCc1ccco1 CSC000177373 [1,0,0,0,0,0|2,0,0]=3 6 B14R1.588 COC(=O)CC(C)SCc1c[nH]nn1 CSC061849585 [0,1,0,0,0,0|3,0,0]=4 7 B14R1.588 COC(=O)CC(C)SCc1cnns1 CSC014966352 [0,1,0,0,0,0|2,1,0]=4 8 B14R1.609 COCC(=O)NCCCc1ccco1 CSC047870639 [0,1,0,0,0,0|2,0,0]=3 9 B14R1.986 COC(=O)C(C)CSCc1c[nH]nn1 CSC061600076 [0,1,0,0,0,0|3,0,0]=4 10 B14R1.986 COC(=O)C(C)CSCc1cnns1 CSC015155693 [0,1,0,0,0,0|2,1,0]=4 11 B14R1.3218 CC(C)C(=O)NCCCc1ccco1 CSC047877989 [0,1,0,0,0,0|3,0,0]=4 12 B14R1.3218 CN(C)C(=O)CCNCc1cccs1 CSC011374629 [0,1,0,0,0,0|2,1,0]=4 13 B12R1.477 COC(=O)CSCc1ccco1 CSC011204649 [0,0,0,0,1,0|0,0,0]=1 14 B14R1.716 CNC(=O)CCSCc1ccccc1 CSC000019825 [0,0,0,0,0,1|2,0,0]=3 15 B14R1.716 COC(=O)CCCOc1ccccc1 CSC000148025 [0,0,0,0,0,1|3,0,0]=4 16 B14R1.716 COC(=O)CCOCc1ccccc1 CSC011246440 [0,0,0,0,0,1|1,1,0]=3 17 B14R1.716 COC(=O)CCSCc1ccccc1 CSC000172166 [0,0,0,0,0,1|1,0,0]=2 18 B11R1.4 CCCCNCc1ccco1 CSC000200681 [2,0,0,0,0,0|1,0,1]=4 19 B11R1.4 OCCCNCc1ccco1 CSC000200620 [2,0,0,0,0,0|1,0,1]=4 20 B13R1.27 COCCCNCc1ccc(o1)Br CSC000200600 [1,1,0,0,0,0|1,0,1]=4 21 B13R1.27 COCCCNCc1ccc(o1)C CSC000200583 [1,1,0,0,0,0|1,0,1]=4 22 B13R1.119 CCOCCCNCc1ccco1 CSC000201923 [1,1,0,0,0,0|1,0,1]=4 23 B13R1.128 OC(=O)CCNCc1cc(cs1)Br CSC011260673 [1,1,0,0,0,0|1,1,0]=4 24 B13R1.128 OC(=O)CCNCc1ccc(o1)Br CSC011260722 [1,1,0,0,0,0|1,0,0]=3 25 B13R1.128 OC(=O)CCNCc1ccc(s1)Br CSC011260699 [1,1,0,0,0,0|1,1,0]=4 26 B13R1.128 OC(=O)CCNCc1ccc(s1)Cl CSC011260687 [1,1,0,0,0,0|1,1,0]=4 27 B13R1.167 OC(=O)CCNCc1sccc1Br CSC011541698 [1,1,0,0,0,0|1,1,0]=4 28 B13R1.162 COC(=O)CCC(=O)c1cccs1 CSC000000775 [0,1,0,0,1,0|0,1,1]=4 29 B13R1.717 CNC(=O)CSCc1cc(no1)C CSC016343684 [0,1,0,0,1,0|2,0,0]=4 30 B13R1.717 CNC(=O)CSCc1ncc(o1)C CSC016344799 [0,1,0,0,1,0|2,0,0]=4 31 B15R1.26 COC(=O)CCSCc1ccc(cc1)Cl CSC000172165 [0,1,0,0,0,1|1,0,0]=3 32 B15R1.778 CCNC(=O)CCSCc1ccccc1 CSC047863082 [0,1,0,0,0,1|2,0,0]=4 33 B15R1.942 COC(=O)CCSCc1cccc(c1)C CSC000173746 [0,1,0,0,0,1|1,0,0]=3 34 B15R1.959 COC(=O)CCNC(C)c1ccccc1 CSC000177460 [0,1,0,0,0,1|2,0,0]=4 35 B15R1.964 COC(=O)CCN(C)Cc1ccccc1 CSC000177491 [0,1,0,0,0,1|2,0,0]=4 36 B15R1.1091 COC(=O)CCSCc1ccccc1C CSC000173165 [0,1,0,0,0,1|1,0,0]=3 37 B15R1.1321 COC(=O)C(C)CSCc1ccccc1 CSC000208612 [0,1,0,0,0,1|1,0,0]=3 38 B15R1.3664 CN(C)C(=O)CCSCc1ccccc1 CSC048904357 [0,1,0,0,0,1|2,0,0]=4 39 B15R1.3670 CC(C)C(=O)NCCNCc1ccco1 CSC000202978 [0,1,0,0,0,1|2,0,0]=4 40 B15R1.3670 CN(C)C(=O)CCCNCc1ccco1 CSC000178189 [0,1,0,0,0,1|2,0,0]=4 41 B15R1.740 COC(=O)CC(C)SCc1cc(on1)C CSC012038748 [0,2,0,0,0,0|2,0,0]=4 42 B15R1.740 COC(=O)CC(C)SCc1nc(no1)C CSC012038742 [0,2,0,0,0,0|2,0,0]=4 43 B15R1.740 COC(=O)CC(C)SCc1ncc(o1)C CSC023541418 [0,2,0,0,0,0|1,0,0]=3 44 B15R1.740 COC(=O)CC(C)SCc1nnc(o1)C CSC012038649 [0,2,0,0,0,0|2,0,0]=4 45 B15R1.5503 CC(C)NC(=O)CCNCc1ccco1 CSC011289809 [0,2,0,0,0,0|2,0,0]=4 46 B15R1.1320 COC(=O)C(C)CSCc1cc(no1)C CSC012038795 [0,2,0,0,0,0|1,0,0]=3 47 B15R1.1320 COC(=O)C(C)CSCc1cc(on1)C CSC012038877 [0,2,0,0,0,0|2,0,0]=4 48 B15R1.1320 COC(=O)C(C)CSCc1nc(no1)C CSC012038871 [0,2,0,0,0,0|2,0,0]=4 49 B15R1.1320 COC(=O)C(C)CSCc1ncc(o1)C CSC023541313 [0,2,0,0,0,0|1,0,0]=3 50 B15R1.1320 COC(=O)C(C)CSCc1nnc(o1)C CSC012038783 [0,2,0,0,0,0|2,0,0]=4 51 B15R1.5465 CN(C)C(=O)CCNCc1ccc(o1)Br CSC011374637 [0,2,0,0,0,0|2,0,0]=4 52 B15R1.5465 CN(C)C(=O)CCNCc1ccc(o1)C CSC011374631 [0,2,0,0,0,0|2,0,0]=4 53 B15R1.11655 CNC(=O)C(C)(C)CNCc1ccco1 CSC012980893 [0,2,0,0,0,0|2,0,0]=4 54 B13R1.718 COC(=O)CCSc1ccccc1 CSC000149870 [0,0,1,1,0,0|1,0,1]=4 55 B11R1.25 CCC(=O)NCc1ccco1 CSC000157649 [0,0,0,0,2,0|2,0,0]=4 56 B11R1.25 CNC(=O)NCc1ccco1 CSC000233838 [0,0,0,0,2,0|2,0,0]=4 57 B11R1.25 COC(=O)CCn1cccc1 CSC000181648 [0,0,0,0,2,0|2,0,0]=4 58 B11R1.25 NNC(=O)CCc1ccco1 CSC000190050 [0,0,0,0,2,0|2,0,0]=4 59 B15R1.962 COC(=O)NCCCCc1ccccc1 CSC000022862 [0,0,0,0,0,2|2,0,0]=4