0 B16R1.4547 C=C(C)CCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000730704 [0,0,0,0,0,0|3,0,1]=4 1 B16R1.4547 C=C(C)CCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000730704 [0,0,0,0,0,0|4,0,0]=4 2 B16R1.4547 C=C(C)CCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000730704 [0,0,0,0,0,0|3,0,1]=4 3 B16R1.4547 C=C(C)c1ccccc1C(=O)OCC(=O)C 271570a_100000694244_201991511838 [0,0,0,0,0,0|4,0,0]=4 4 B16R1.4547 CC(=O)CCN(C)c1ccccc1C(=O)N 269982a_100000184419_100000053229 [0,0,0,0,0,0|4,0,0]=4 5 B16R1.4547 CC(O)CCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100012276601 [0,0,0,0,0,0|2,0,2]=4 6 B16R1.4547 CC(O)CCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100012276601 [0,0,0,0,0,0|3,0,1]=4 7 B16R1.4547 CC(O)CCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100012276601 [0,0,0,0,0,0|2,0,2]=4 8 B16R1.4547 CN(CCC(=O)N)c1ccccc1C(=O)N 269982a_100000184419_100000744528 [0,0,0,0,0,0|4,0,0]=4 9 B16R1.4547 CS(=O)c1ccccc1C(=O)NCC(=O)N 240690a_100000711301_100000204632 [0,0,0,0,0,0|4,0,0]=4 10 B16R1.4547 NC(=O)CNC(=O)c1ccccc1I(=O)=O 240690a_100000711301_100000061294 [0,0,0,0,0,0|3,0,1]=4 11 B16R1.4547 NC(=O)CNC(=O)c1ccccc1[N+](=O)[O-] 11a_100000711301_100000188706 [0,0,0,0,0,0|3,0,1]=4 12 B16R1.4547 NC(=O)CNC(=O)c1ccccc1[N+](=O)[O-] 240690a_100000711301_100000188706 [0,0,0,0,0,0|3,0,1]=4 13 B16R1.4547 NC(=O)CNC(=O)c1ccccc1[N+](=O)[O-] 527a_100000711301_100000188706 [0,0,0,0,0,0|3,0,1]=4 14 B15R1.86 C=C(C)CCC(=O)c1ccccc1CO 1458a_100011301526_100000730704 [1,0,0,0,0,0|2,0,1]=4 15 B15R1.86 C=C(C)CCC(=O)c1ccccc1I=O 1458a_100000032414_100000730704 [1,0,0,0,0,0|3,0,0]=4 16 B15R1.86 C=Cc1ccccc1C(=O)CCC(=C)C 1458a_100011830265_100000730704 [1,0,0,0,0,0|3,0,0]=4 17 B15R1.86 C=Cc1ccccc1C(=O)CCC(C)O 1458a_100011830265_100012276601 [1,0,0,0,0,0|2,0,1]=4 18 B15R1.86 C=Cc1ccccc1C(=O)OCC(=O)C 271570a_100011290941_201991511838 [1,0,0,0,0,0|3,0,0]=4 19 B15R1.86 CC(O)CCC(=O)c1ccccc1CO 1458a_100011301526_100012276601 [1,0,0,0,0,0|1,0,2]=4 20 B15R1.86 CC(O)CCC(=O)c1ccccc1I=O 1458a_100000032414_100012276601 [1,0,0,0,0,0|2,0,1]=4 21 B15R1.86 NC(=O)CNC(=O)c1ccccc1I=O 240690a_100000711301_100000032414 [1,0,0,0,0,0|3,0,0]=4 22 B15R1.86 NC(=O)CNC(=O)c1ccccc1I=O 527a_100000711301_100000032414 [1,0,0,0,0,0|3,0,0]=4 23 B15R1.1239 C=CCCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000754431 [1,0,0,0,0,0|2,0,1]=4 24 B15R1.1239 C=CCCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000754431 [1,0,0,0,0,0|3,0,0]=4 25 B15R1.1239 C=CCCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000754431 [1,0,0,0,0,0|2,0,1]=4 26 B15R1.1239 CS(=O)c1ccccc1C(=O)CCCO 1458a_100000204632_100011215043 [1,0,0,0,0,0|2,0,1]=4 27 B15R1.1239 O=C(CCCO)c1ccccc1I(=O)=O 1458a_100000061294_100011215043 [1,0,0,0,0,0|1,0,2]=4 28 B15R1.1239 O=C(CCCO)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100011215043 [1,0,0,0,0,0|1,0,2]=4 29 B15R1.8882 C=C(C)CCSc1ccccc1C(=O)O 62a_100000730704_100000734275 [1,0,0,0,0,0|3,0,0]=4 30 B15R1.8882 C=C(C)CCSc1ccccc1C(=O)O 62a_202125556159_100000730704 [1,0,0,0,0,0|3,0,0]=4 31 B15R1.8882 CC(=O)CCOc1ccccc1C(=O)C 1458a_100000070787_100000184561 [1,0,0,0,0,0|3,0,0]=4 32 B15R1.8882 CC(=O)CCOc1ccccc1C(=O)N 7a_100000192804_100000053229 [1,0,0,0,0,0|3,0,0]=4 33 B15R1.8882 CC(=O)CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000053229 [1,0,0,0,0,0|2,0,1]=4 34 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)C 62a_100000751169_100000053229 [1,0,0,0,0,0|3,0,0]=4 35 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)N 62a_100000053229_100000162227 [1,0,0,0,0,0|3,0,0]=4 36 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)N 62a_100000162227_100000053229 [1,0,0,0,0,0|3,0,0]=4 37 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)O 62a_100000053229_100000734275 [1,0,0,0,0,0|2,0,0]=3 38 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)O 62a_202125556159_100000053229 [1,0,0,0,0,0|2,0,0]=3 39 B15R1.8882 CC(=O)OCSc1ccccc1C(=O)O 62a_100000076356_100000734275 [1,0,0,0,0,0|3,0,0]=4 40 B15R1.8882 CC(=O)OCSc1ccccc1C(=O)O 62a_202125556159_100000076356 [1,0,0,0,0,0|3,0,0]=4 41 B15R1.8882 CC(=O)c1ccccc1SCCC(=O)N 62a_100000751169_100000744528 [1,0,0,0,0,0|3,0,0]=4 42 B15R1.8882 CC(O)CCSc1ccccc1C(=O)O 62a_100012276601_100000734275 [1,0,0,0,0,0|2,0,1]=4 43 B15R1.8882 CC(O)CCSc1ccccc1C(=O)O 62a_202125556159_100012276601 [1,0,0,0,0,0|2,0,1]=4 44 B15R1.8882 NC(=O)CCNc1ccccc1C(=O)N 34a_100000185089_100000731001 [1,0,0,0,0,0|3,0,0]=4 45 B15R1.8882 NC(=O)CCOc1ccccc1C(=O)N 34a_100000192804_100000731001 [1,0,0,0,0,0|3,0,0]=4 46 B15R1.8882 NC(=O)CCOc1ccccc1C(=O)N 7a_100000192804_100000744528 [1,0,0,0,0,0|3,0,0]=4 47 B15R1.8882 NC(=O)CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000744528 [1,0,0,0,0,0|2,0,1]=4 48 B15R1.8882 NC(=O)CCSc1ccccc1C(=O)N 62a_100000162227_100000744528 [1,0,0,0,0,0|3,0,0]=4 49 B15R1.8882 NC(=O)CCSc1ccccc1C(=O)N 62a_100000744528_100000162227 [1,0,0,0,0,0|3,0,0]=4 50 B15R1.8882 NC(=O)CCSc1ccccc1C(=O)O 62a_100000744528_100000734275 [1,0,0,0,0,0|2,0,0]=3 51 B15R1.8882 NC(=O)CCSc1ccccc1C(=O)O 62a_202125556159_100000744528 [1,0,0,0,0,0|2,0,0]=3 52 B15R1.8882 NC(=O)CNCc1ccccc1C(=O)O 269956a_100015183376_100000187820 [1,0,0,0,0,0|2,0,1]=4 53 B15R1.8882 O=C([O-])CNCc1ccccc1C(=O)O 269956a_100015183376_100020667443 [1,0,0,0,0,0|1,0,2]=4 54 B17R1.1228 C=C(C)CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000730704 [0,1,0,0,0,0|2,0,0]=3 55 B17R1.1228 C=C(C)CNC(=O)c1ccccc1C(=O)OC 1626a_100000765925_100011215673 [0,1,0,0,0,0|3,0,0]=4 56 B17R1.1228 C=C(C)CNC(=O)c1ccccc1C(=O)OC 240690a_100000765925_100011215673 [0,1,0,0,0,0|3,0,0]=4 57 B17R1.1228 COC(=O)c1ccccc1C(=O)CC=C(C)C 1458a_100011215673_100000761012 [0,1,0,0,0,0|2,0,1]=4 58 B17R1.1228 COC(=O)c1ccccc1C(=O)CCC(C)C 1458a_100011215673_100000210312 [0,1,0,0,0,0|2,0,1]=4 59 B17R1.1228 COC(=O)c1ccccc1C(=O)CCC(C)O 1458a_100011215673_100012276601 [0,1,0,0,0,0|1,0,1]=3 60 B17R1.1228 COC(=O)c1ccccc1C(=O)NCC(=O)N 240690a_100000711301_100011215673 [0,1,0,0,0,0|2,0,0]=3 61 B17R1.1228 COC(=O)c1ccccc1C(=O)NCC(C)O 240690a_100000210904_100011215673 [0,1,0,0,0,0|2,0,1]=4 62 B17R1.1228 COC(=O)c1ccccc1C(=O)NNC(=O)C 22a_100000189765_100011215673 [0,1,0,0,0,0|3,0,0]=4 63 B17R1.1228 COC(=O)c1ccccc1N(C)CCC(=O)C 269982a_100000170468_100000053229 [0,1,0,0,0,0|3,0,0]=4 64 B17R1.1228 COC(=O)c1ccccc1N(C)CCC(=O)N 269982a_100000170468_100000744528 [0,1,0,0,0,0|3,0,0]=4 65 B17R1.1228 COC(=O)c1ccccc1N(C)CCC(=O)N 34a_100000170468_100000731001 [0,1,0,0,0,0|3,0,0]=4 66 B17R1.9061 COC(=O)CCN(C)c1ccccc1C(=O)N 269982a_100000184419_100000204255 [0,1,0,0,0,0|3,0,0]=4 67 B17R1.9061 COC(=O)CNC(=O)c1ccccc1S(=O)C 188690a_100000185156_100000204632 [0,1,0,0,0,0|3,0,0]=4 68 B17R1.9061 COC(=O)CNC(=O)c1ccccc1[N+](=O)[O-] 188690a_100000185156_100000188706 [0,1,0,0,0,0|2,0,1]=4 69 B17R2.38284 CC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 1458a_100000183095_200000210301 [0,0,0,1,0,0|3,0,0]=4 70 B17R2.38284 [13CH3]C(=O)Cn1[nH]c(=O)c2ccccc2c1=O 1458a_100000183095_200025704644 [0,0,0,1,0,0|3,0,0]=4 71 B15R1.5509 C=C(C)c1ccccc1C(=O)CC(=O)C 271570a_100000694244_200011243946 [0,0,0,0,1,0|3,0,0]=4 72 B15R1.5509 CC(=O)CC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000070787_100011219728 [0,0,0,0,1,0|2,0,1]=4 73 B15R1.5509 CS(=O)c1ccccc1C(=O)CC(=O)N 1458a_100000204632_100000187820 [0,0,0,0,1,0|3,0,0]=4 74 B15R1.5509 CS(=O)c1ccccc1C(=O)CC(=O)[O-] 1458a_100000204632_100020667443 [0,0,0,0,1,0|2,0,1]=4 75 B15R1.5509 NC(=O)CC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000187820 [0,0,0,0,1,0|2,0,1]=4 76 B15R1.5509 NC(=O)CC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000187820 [0,0,0,0,1,0|2,0,1]=4 77 B15R1.5509 O=C([O-])CC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100020667443 [0,0,0,0,1,0|1,0,2]=4 78 B15R1.5509 O=C([O-])CC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100020667443 [0,0,0,0,1,0|1,0,2]=4 79 B17R1.5006 CC(=O)Oc1ccccc1C(=O)NCC(=O)N 240690a_100000711301_100000210466 [0,0,0,0,0,1|3,0,0]=4 80 B17R1.16385 CC(=O)CCCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100011215641 [0,0,0,0,0,1|2,0,1]=4 81 B17R1.16385 CC(=O)CCCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100011215641 [0,0,0,0,0,1|3,0,0]=4 82 B17R1.16385 CC(=O)CCCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100011215641 [0,0,0,0,0,1|2,0,1]=4 83 B17R1.16385 CC(=O)NCCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000189650 [0,0,0,0,0,1|2,0,1]=4 84 B17R1.16385 CC(=O)NCCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000189650 [0,0,0,0,0,1|3,0,0]=4 85 B17R1.16385 CC(=O)NCCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000189650 [0,0,0,0,0,1|2,0,1]=4 86 B17R1.16385 CC(=O)OCCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100009814007 [0,0,0,0,0,1|2,0,1]=4 87 B17R1.16385 CC(=O)OCCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100009814007 [0,0,0,0,0,1|3,0,0]=4 88 B17R1.16385 CC(=O)OCCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100009814007 [0,0,0,0,0,1|2,0,1]=4 89 B17R1.16385 CS(=O)c1ccccc1C(=O)CCCC(=O)N 1458a_100000204632_100102525003 [0,0,0,0,0,1|3,0,0]=4 90 B17R1.16385 CS(=O)c1ccccc1C(=O)CCNC(=O)N 1458a_100000204632_200000034859 [0,0,0,0,0,1|3,0,0]=4 91 B17R1.16385 CS(=O)c1ccccc1C(=O)CCOC(=O)N 1458a_100000204632_200011214921 [0,0,0,0,0,1|3,0,0]=4 92 B17R1.16385 CS(=O)c1ccccc1C(=O)NCCC(=O)N 240690a_100000740010_100000204632 [0,0,0,0,0,1|3,0,0]=4 93 B17R1.16385 NC(=O)CCCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100102525003 [0,0,0,0,0,1|2,0,1]=4 94 B17R1.16385 NC(=O)CCCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100102525003 [0,0,0,0,0,1|2,0,1]=4 95 B17R1.16385 NC(=O)CCNC(=O)c1ccccc1I(=O)=O 240690a_100000740010_100000061294 [0,0,0,0,0,1|2,0,1]=4 96 B17R1.16385 NC(=O)CCNC(=O)c1ccccc1[N+](=O)[O-] 11a_100000740010_100000188706 [0,0,0,0,0,1|2,0,1]=4 97 B17R1.16385 NC(=O)CCNC(=O)c1ccccc1[N+](=O)[O-] 240690a_100000740010_100000188706 [0,0,0,0,0,1|2,0,1]=4 98 B17R1.16385 NC(=O)CCNC(=O)c1ccccc1[N+](=O)[O-] 527a_100000740010_100000188706 [0,0,0,0,0,1|2,0,1]=4 99 B17R1.16385 NC(=O)CNCC(=O)c1ccccc1[N+](=O)[O-] 2230a_100000711301_100011219728 [0,0,0,0,0,1|2,0,1]=4 100 B17R1.16385 NC(=O)CSCC(=O)c1ccccc1[N+](=O)[O-] 62a_100011219728_100000747473 [0,0,0,0,0,1|2,0,1]=4 101 B17R1.16385 NC(=O)NCCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_200000034859 [0,0,0,0,0,1|2,0,1]=4 102 B17R1.16385 NC(=O)NCCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200000034859 [0,0,0,0,0,1|2,0,1]=4 103 B17R1.16385 NC(=O)OCCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_200011214921 [0,0,0,0,0,1|2,0,1]=4 104 B17R1.16385 NC(=O)OCCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200011214921 [0,0,0,0,0,1|2,0,1]=4 105 B17R1.16385 O=C(O)CNCC(=O)c1ccccc1[N+](=O)[O-] 269956a_100016091260_100011219728 [0,0,0,0,0,1|1,0,1]=3 106 B17R1.16385 O=C([O-])CSCC(=O)c1ccccc1[N+](=O)[O-] 62a_100011219728_100020667443 [0,0,0,0,0,1|1,0,2]=4 107 B17R1.16418 C=C(C)CCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_200000688413 [0,0,0,0,0,1|3,0,0]=4 108 B17R1.16418 C=C(C)CCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_200000688413 [0,0,0,0,0,1|3,0,0]=4 109 B17R1.16418 C=C(C)CCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_200000688413 [0,0,0,0,0,1|3,0,0]=4 110 B17R1.16418 C=C(C)c1ccccc1NC(=O)CCC(=O)N 22a_100000037685_100011215257 [0,0,0,0,0,1|3,0,0]=4 111 B17R1.16418 CC(=O)NCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000194580 [0,0,0,0,0,1|3,0,0]=4 112 B17R1.16418 CC(=O)NCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000194580 [0,0,0,0,0,1|3,0,0]=4 113 B17R1.16418 CC(=O)NCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000194580 [0,0,0,0,0,1|3,0,0]=4 114 B17R1.16418 CC(=O)OCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000183556 [0,0,0,0,0,1|3,0,0]=4 115 B17R1.16418 CC(=O)OCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000183556 [0,0,0,0,0,1|3,0,0]=4 116 B17R1.16418 CC(=O)SCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000049016 [0,0,0,0,0,1|3,0,0]=4 117 B17R1.16418 CC(=O)SCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000049016 [0,0,0,0,0,1|3,0,0]=4 118 B17R1.16418 CC(O)CCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000718519 [0,0,0,0,0,1|2,0,1]=4 119 B17R1.16418 NC(=O)CCC(=O)Cc1ccccc1B(O)O 1458a_100011215257_100009814197 [0,0,0,0,0,1|2,0,1]=4 120 B17R1.16418 NC(=O)CCC(=O)Cc1ccccc1[N+](=O)[O-] 1458a_100011215257_100000181388 [0,0,0,0,0,1|2,0,1]=4 121 B17R1.16418 NC(=O)CCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100011215257 [0,0,0,0,0,1|2,0,0]=3 122 B17R1.16418 NC(=O)NCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000184981 [0,0,0,0,0,1|3,0,0]=4 123 B17R1.16418 NC(=O)c1ccccc1NC(=O)CC[N+](=O)[O-] 11a_100000185089_200000064761 [0,0,0,0,0,1|2,0,1]=4 124 B17R1.16418 NC(=O)c1ccccc1NC(=O)CC[N+](=O)[O-] 1626a_100000185089_200000064761 [0,0,0,0,0,1|2,0,1]=4 125 B14R1.96 CC(=O)CCOc1ccccc1C=O 1458a_100000070787_100009990610 [2,0,0,0,0,0|2,0,0]=4 126 B14R1.96 CC(=O)CCSc1ccccc1C=O 62a_100000053229_100000210073 [2,0,0,0,0,0|2,0,0]=4 127 B14R1.96 CC(=O)CCSc1ccccc1C=O 62a_100000210073_100000053229 [2,0,0,0,0,0|2,0,0]=4 128 B14R1.96 NC(=O)CCSc1ccccc1C=O 62a_100000210073_100000744528 [2,0,0,0,0,0|2,0,0]=4 129 B14R1.96 NC(=O)CCSc1ccccc1C=O 62a_100000744528_100000210073 [2,0,0,0,0,0|2,0,0]=4 130 B14R1.96 O=Cc1ccccc1CNCC(=O)O 269956a_100016091260_200009853537 [2,0,0,0,0,0|1,0,1]=4 131 B14R1.160 C=C(C)CCC(=O)c1ccccc1O 1458a_100015234032_100000730704 [2,0,0,0,0,0|2,0,0]=4 132 B14R1.160 CC(=O)CCC(=O)c1ccccc1F 1458a_100000070787_100000086012 [2,0,0,0,0,0|2,0,0]=4 133 B14R1.160 CC(=O)CNC(=O)c1ccccc1O 1458a_100011193979_200000210301 [2,0,0,0,0,0|2,0,0]=4 134 B14R1.160 CC(=O)COC(=O)c1ccccc1O 271570a_203496583355_201991511838 [2,0,0,0,0,0|2,0,0]=4 135 B14R1.160 CC(O)CCC(=O)c1ccccc1O 1458a_100015234032_100012276601 [2,0,0,0,0,0|1,0,1]=4 136 B14R1.160 NC(=O)CNC(=O)c1ccccc1O 240690a_100000711301_100015234032 [2,0,0,0,0,0|2,0,0]=4 137 B14R1.160 [13CH3]C(=O)CNC(=O)c1ccccc1O 1458a_100011193979_200025704644 [2,0,0,0,0,0|2,0,0]=4 138 B14R1.939 C=CCCC(=O)c1ccccc1C=C 1458a_100011830265_100000754431 [2,0,0,0,0,0|2,0,0]=4 139 B14R1.939 C=CCCC(=O)c1ccccc1CO 1458a_100011301526_100000754431 [2,0,0,0,0,0|1,0,1]=4 140 B14R1.939 C=CCCC(=O)c1ccccc1I=O 1458a_100000032414_100000754431 [2,0,0,0,0,0|2,0,0]=4 141 B14R1.939 C=Cc1ccccc1C(=O)CCCO 1458a_100011830265_100011215043 [2,0,0,0,0,0|1,0,1]=4 142 B14R1.939 O=C(CCCO)c1ccccc1CO 1458a_100011301526_100011215043 [2,0,0,0,0,0|0,0,2]=4 143 B14R1.939 O=Ic1ccccc1C(=O)CCCO 1458a_100000032414_100011215043 [2,0,0,0,0,0|1,0,1]=4 144 B14R1.623 CS(=O)c1ccccc1C(=O)CCO 1458a_100000204632_100000211926 [2,0,0,0,0,0|2,0,0]=4 145 B14R1.623 O=C(CCO)c1ccccc1I(=O)=O 1458a_100000061294_100000211926 [2,0,0,0,0,0|1,0,1]=4 146 B14R1.623 O=C(CCO)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000211926 [2,0,0,0,0,0|1,0,1]=4 147 B14R1.903 C=CCCSc1ccccc1C(=O)O 62a_100000754431_100000734275 [2,0,0,0,0,0|2,0,0]=4 148 B14R1.903 C=CCCSc1ccccc1C(=O)O 62a_202125556159_100000754431 [2,0,0,0,0,0|2,0,0]=4 149 B14R1.903 O=C(O)c1ccccc1SCCCO 62a_100011215043_100000734275 [2,0,0,0,0,0|1,0,1]=4 150 B14R1.903 O=C(O)c1ccccc1SCCCO 62a_202125556159_100011215043 [2,0,0,0,0,0|1,0,1]=4 151 B14R1.903 O=CCNCc1ccccc1C(=O)O 269956a_100015183376_200015260668 [2,0,0,0,0,0|1,0,1]=4 152 B16R1.5567 C=Cc1ccccc1C(=O)NCC(=O)OC 188690a_100000185156_100011830265 [1,1,0,0,0,0|2,0,0]=4 153 B16R1.5567 COC(=O)CNC(=O)c1ccccc1CO 188690a_100000185156_100011301526 [1,1,0,0,0,0|1,0,1]=4 154 B16R1.5567 COC(=O)CNC(=O)c1ccccc1I=O 188690a_100000185156_100000032414 [1,1,0,0,0,0|2,0,0]=4 155 B16R1.1500 C#CCCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000753159 [1,1,0,0,0,0|1,0,1]=4 156 B16R1.1500 C/C=C/CC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100102629194 [1,1,0,0,0,0|1,0,1]=4 157 B16R1.1500 C=CCCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000754431 [1,1,0,0,0,0|1,0,0]=3 158 B16R1.1500 C=CCNC(=O)c1ccccc1C(=O)OC 1626a_100020586998_100011215673 [1,1,0,0,0,0|2,0,0]=4 159 B16R1.1500 C=CCNC(=O)c1ccccc1C(=O)OC 240690a_100020586998_100011215673 [1,1,0,0,0,0|2,0,0]=4 160 B16R1.1500 CC=CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000070051 [1,1,0,0,0,0|1,0,1]=4 161 B16R1.1500 CCCCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210211 [1,1,0,0,0,0|1,0,1]=4 162 B16R1.1500 COC(=O)c1ccccc1C(=O)CCC#N 1458a_100011215673_100011215226 [1,1,0,0,0,0|1,0,1]=4 163 B16R1.1500 COC(=O)c1ccccc1C(=O)CCCF 1458a_100011215673_100011934791 [1,1,0,0,0,0|1,0,1]=4 164 B16R1.1500 COC(=O)c1ccccc1C(=O)CCCO 1458a_100011215673_100011215043 [1,1,0,0,0,0|0,0,1]=3 165 B16R1.1500 COC(=O)c1ccccc1C(=O)CCSC 1458a_100011215673_100000751147 [1,1,0,0,0,0|2,0,0]=4 166 B16R1.1500 COC(=O)c1ccccc1C(=O)NCCO 240690a_100000210304_100011215673 [1,1,0,0,0,0|1,0,1]=4 167 B16R1.1500 COCCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000233755 [1,1,0,0,0,0|2,0,0]=4 168 B16R1.1730 O=CCSCC(=O)c1ccccc1[N+](=O)[O-] 62a_100011219728_200015260668 [1,1,0,0,0,0|1,0,1]=4 169 B16R1.1178 CC(=O)CCSc1ccccc1C(=O)O[Na] 62a_100000053229_114855342371 [1,1,0,0,0,0|2,0,0]=4 170 B16R1.1178 COC(=O)c1ccccc1CNCC(=O)O 269956a_100016091260_100000744672 [1,1,0,0,0,0|1,0,1]=4 171 B16R1.1178 COC(=O)c1ccccc1OCCC(=O)C 7a_100000150335_100000053229 [1,1,0,0,0,0|2,0,0]=4 172 B16R1.1178 COC(=O)c1ccccc1OCCC(=O)N 7a_100000150335_100000744528 [1,1,0,0,0,0|2,0,0]=4 173 B16R1.1178 COC(=O)c1ccccc1SCCC(=O)C 62a_100000053229_100000148710 [1,1,0,0,0,0|2,0,0]=4 174 B16R1.1178 COC(=O)c1ccccc1SCCC(=O)C 62a_100000148710_100000053229 [1,1,0,0,0,0|2,0,0]=4 175 B16R1.1178 COC(=O)c1ccccc1SCCC(=O)N 62a_100000148710_100000744528 [1,1,0,0,0,0|2,0,0]=4 176 B16R1.1178 COC(=O)c1ccccc1SCCC(=O)N 62a_100000744528_100000148710 [1,1,0,0,0,0|2,0,0]=4 177 B16R1.1178 NC(=O)CCOc1ccccc1C(=O)NO 34a_100000188472_100000731001 [1,1,0,0,0,0|2,0,0]=4 178 B16R1.1178 NC(=O)CCSc1ccccc1C(=O)O[Na] 62a_100000744528_114855342371 [1,1,0,0,0,0|2,0,0]=4 179 B16R1.3262 CC(=O)c1ccccc1OCCC(=O)CO 1458a_100000210174_100000184561 [1,1,0,0,0,0|2,0,0]=4 180 B16R1.3262 CNC(=O)CCSc1ccccc1C(=O)O 62a_100000737683_100000734275 [1,1,0,0,0,0|2,0,0]=4 181 B16R1.3262 CNC(=O)CCSc1ccccc1C(=O)O 62a_202125556159_100000737683 [1,1,0,0,0,0|2,0,0]=4 182 B16R1.3262 COC(=O)CCNc1ccccc1C(=O)N 34a_100000185089_100000742370 [1,1,0,0,0,0|2,0,0]=4 183 B16R1.3262 COC(=O)CCOc1ccccc1C(=O)N 34a_100000192804_100000742370 [1,1,0,0,0,0|2,0,0]=4 184 B16R1.3262 COC(=O)CCOc1ccccc1C(=O)N 7a_100000192804_100000204255 [1,1,0,0,0,0|2,0,0]=4 185 B16R1.3262 COC(=O)CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000204255 [1,1,0,0,0,0|1,0,1]=4 186 B16R1.3262 COC(=O)CCSc1ccccc1C(=O)C 62a_100000751169_100000204255 [1,1,0,0,0,0|2,0,0]=4 187 B16R1.3262 COC(=O)CCSc1ccccc1C(=O)N 62a_100000162227_100000204255 [1,1,0,0,0,0|2,0,0]=4 188 B16R1.3262 COC(=O)CCSc1ccccc1C(=O)N 62a_100000204255_100000162227 [1,1,0,0,0,0|2,0,0]=4 189 B16R1.3262 COC(=O)CCSc1ccccc1C(=O)O 62a_100000204255_100000734275 [1,1,0,0,0,0|1,0,0]=3 190 B16R1.3262 COC(=O)CCSc1ccccc1C(=O)O 62a_202125556159_100000204255 [1,1,0,0,0,0|1,0,0]=3 191 B16R1.3262 COC(=O)CNCc1ccccc1C(=O)O 269956a_100015183376_100000747449 [1,1,0,0,0,0|1,0,1]=4 192 B16R1.3262 COC(=O)OCSc1ccccc1C(=O)O 62a_202125556159_100000139417 [1,1,0,0,0,0|2,0,0]=4 193 B16R1.11454 CC(=O)CCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000053229 [1,1,0,0,0,0|2,0,0]=4 194 B16R1.11454 NC(=O)CCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000744528 [1,1,0,0,0,0|2,0,0]=4 195 B16R1.16697 C=C(C)CC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000748629 [0,1,0,0,1,0|2,0,0]=4 196 B16R1.16697 C=C(F)CC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100009893438 [0,1,0,0,1,0|2,0,0]=4 197 B16R1.16697 COC(=O)c1ccccc1C(=O)CC(=O)N 1458a_100011215673_100000187820 [0,1,0,0,1,0|1,0,0]=3 198 B16R1.16697 COC(=O)c1ccccc1C(=O)CC(=O)[O-] 1458a_100011215673_100020667443 [0,1,0,0,1,0|0,0,1]=3 199 B16R1.16697 COC(=O)c1ccccc1C(=O)CC(C)O 1458a_100011215673_100011218427 [0,1,0,0,1,0|1,0,1]=4 200 B16R1.16697 COC(=O)c1ccccc1C(=O)C[N+](=O)[O-] 1458a_100011215673_100000761209 [0,1,0,0,1,0|1,0,1]=4 201 B18R1.4858 C=C(C)CCC(=O)c1ccccc1CC(=O)OC 1458a_100000726341_100000730704 [0,1,0,0,0,1|2,0,0]=4 202 B18R1.4858 COC(=O)Cc1ccccc1C(=O)CCC(C)O 1458a_100000726341_100012276601 [0,1,0,0,0,1|1,0,1]=4 203 B18R1.4858 COC(=O)Cc1ccccc1C(=O)NCC(=O)N 240690a_100000711301_100000726341 [0,1,0,0,0,1|2,0,0]=4 204 B18R1.10294 COC(=O)CNC(=O)c1ccccc1OC(=O)C 188690a_100000185156_100000210466 [0,1,0,0,0,1|2,0,0]=4 205 B18R1.17722 O=C(O)CNCC(=O)c1cccc(c1[N+](=O)[O-])F 269956a_100016091260_100010768312 [0,1,0,0,0,1|1,0,1]=4 206 B18R1.21289 C[C@H](NCC(=O)c1ccccc1[N+](=O)[O-])C(=O)O 269956a_100000743915_100011219728 [0,1,0,0,0,1|1,0,1]=4 207 B18R1.33887 COC(=O)CCCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100011218270 [0,1,0,0,0,1|1,0,1]=4 208 B18R1.33887 COC(=O)CCCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100011218270 [0,1,0,0,0,1|2,0,0]=4 209 B18R1.33887 COC(=O)CCCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100011218270 [0,1,0,0,0,1|1,0,1]=4 210 B18R1.33887 COC(=O)CCNC(=O)c1ccccc1S(=O)C 188690a_100000683876_100000204632 [0,1,0,0,0,1|2,0,0]=4 211 B18R1.33887 COC(=O)CCNC(=O)c1ccccc1[N+](=O)[O-] 188690a_100000683876_100000188706 [0,1,0,0,0,1|1,0,1]=4 212 B18R1.33887 COC(=O)CSCC(=O)c1ccccc1[N+](=O)[O-] 62a_100011219728_100000747449 [0,1,0,0,0,1|1,0,1]=4 213 B18R1.34538 COC(=O)c1ccccc1C(=O)CCC=C(C)C 1458a_100011215673_100011217483 [0,1,0,0,0,1|2,0,0]=4 214 B18R1.34538 COC(=O)c1ccccc1C(=O)CCC=C(F)F 1458a_100011215673_200009816681 [0,1,0,0,0,1|2,0,0]=4 215 B18R1.34538 COC(=O)c1ccccc1C(=O)CCCC(=O)C 1458a_100011215673_100011215641 [0,1,0,0,0,1|1,0,0]=3 216 B18R1.34538 COC(=O)c1ccccc1C(=O)CCCC(=O)N 1458a_100011215673_100102525003 [0,1,0,0,0,1|1,0,0]=3 217 B18R1.34538 COC(=O)c1ccccc1C(=O)CCCC(C)O 1458a_100011215673_200000718107 [0,1,0,0,0,1|1,0,1]=4 218 B18R1.34538 COC(=O)c1ccccc1C(=O)CCNC(=O)C 1458a_100011215673_100000189650 [0,1,0,0,0,1|1,0,0]=3 219 B18R1.34538 COC(=O)c1ccccc1C(=O)CCNC(=O)N 1458a_100011215673_200000034859 [0,1,0,0,0,1|1,0,0]=3 220 B18R1.34538 COC(=O)c1ccccc1C(=O)CCOC(=O)C 1458a_100011215673_100009814007 [0,1,0,0,0,1|1,0,0]=3 221 B18R1.34538 COC(=O)c1ccccc1C(=O)CCOC(=O)N 1458a_100011215673_200011214921 [0,1,0,0,0,1|1,0,0]=3 222 B18R1.34538 COC(=O)c1ccccc1C(=O)NCCC(=O)N 240690a_100000740010_100011215673 [0,1,0,0,0,1|1,0,0]=3 223 B18R1.34538 COC(=O)c1ccccc1C(=O)NCCC(C)O 240690a_200000755665_100011215673 [0,1,0,0,0,1|1,0,1]=4 224 B18R1.36858 CN(CC(=O)O)CC(=O)c1ccccc1[N+](=O)[O-] 269956a_100000746989_100011219728 [0,1,0,0,0,1|1,0,1]=4 225 B18R1.10382 Cc1ccc(c(c1)NC(=O)CCC(=O)N)C(=O)N 22a_100011219537_100011215257 [0,1,0,0,0,1|2,0,0]=4 226 B18R1.10382 NC(=O)CCC(=O)Nc1cc(ccc1C(=O)N)F 22a_100011298637_100011215257 [0,1,0,0,0,1|2,0,0]=4 227 B18R1.10382 NC(=O)CCC(=O)Nc1cc(ccc1C(=O)N)O 22a_100012186684_100011215257 [0,1,0,0,0,1|2,0,0]=4 228 B18R1.17731 Cc1cccc(c1C(=O)N)NC(=O)CCC(=O)N 22a_100102558177_100011215257 [0,1,0,0,0,1|2,0,0]=4 229 B18R1.17731 NC(=O)CCC(=O)Nc1cccc(c1C(=O)N)F 22a_100000036109_100011215257 [0,1,0,0,0,1|2,0,0]=4 230 B18R1.17951 Cc1ccc(c(c1)C(=O)N)NC(=O)CCC(=O)N 22a_100011692829_100011215257 [0,1,0,0,0,1|2,0,0]=4 231 B18R1.17951 NC(=O)CCC(=O)Nc1ccc(cc1C(=O)N)Br 22a_100000740421_100011215257 [0,1,0,0,0,1|2,0,0]=4 232 B18R1.17951 NC(=O)CCC(=O)Nc1ccc(cc1C(=O)N)Cl 22a_100000743835_100011215257 [0,1,0,0,0,1|2,0,0]=4 233 B18R1.17951 NC(=O)CCC(=O)Nc1ccc(cc1C(=O)N)F 22a_100000741173_100011215257 [0,1,0,0,0,1|2,0,0]=4 234 B18R1.32940 C=C(C)CCC(=O)Cc1ccccc1C(=O)OC 1458a_100000695166_100000730704 [0,1,0,0,0,1|2,0,0]=4 235 B18R1.32940 C=C(C)CCC(=O)Cc1ccccc1C(=O)OC 1458a_200000688413_100000744672 [0,1,0,0,0,1|2,0,0]=4 236 B18R1.32940 CNC(=O)c1ccccc1NC(=O)CCC(=O)N 22a_100000185696_100011215257 [0,1,0,0,0,1|2,0,0]=4 237 B18R1.32940 COC(=O)c1ccccc1CC(=O)CCC(=O)N 1458a_100011215257_100000744672 [0,1,0,0,0,1|1,0,0]=3 238 B18R1.32940 COC(=O)c1ccccc1CC(=O)CCC(C)O 1458a_100000695166_100012276601 [0,1,0,0,0,1|1,0,1]=4 239 B18R1.32940 COC(=O)c1ccccc1CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000744672 [0,1,0,0,0,1|1,0,1]=4 240 B18R1.32940 COC(=O)c1ccccc1CC(=O)CNC(=O)C 1458a_100000194580_100000744672 [0,1,0,0,0,1|2,0,0]=4 241 B18R1.32940 COC(=O)c1ccccc1CC(=O)CNC(=O)N 1458a_100000184981_100000744672 [0,1,0,0,0,1|2,0,0]=4 242 B18R1.32940 COC(=O)c1ccccc1CC(=O)COC(=O)C 1458a_100000183556_100000744672 [0,1,0,0,0,1|2,0,0]=4 243 B18R1.32940 COC(=O)c1ccccc1CC(=O)CSC(=O)C 1458a_100000049016_100000744672 [0,1,0,0,0,1|2,0,0]=4 244 B18R1.32940 COC(=O)c1ccccc1CC(=O)NCC(=O)N 11a_100000711301_100000695166 [0,1,0,0,0,1|2,0,0]=4 245 B18R1.32940 COC(=O)c1ccccc1CC(=O)NCC(=O)N 240690a_100000711301_100000695166 [0,1,0,0,0,1|2,0,0]=4 246 B18R1.32940 COC(=O)c1cccnc1CC(=O)CCC(=O)N 1458a_100011215257_100000709840 [0,1,0,0,0,1|2,0,0]=4 247 B18R1.32940 COC(=O)c1ncccc1CC(=O)CCC(=O)N 1458a_100011215257_100010177730 [0,1,0,0,0,1|2,0,0]=4 248 B18R1.34056 C=C(C)c1ccccc1NC(=O)CCC(=O)OC 11a_100000037685_100000187943 [0,1,0,0,0,1|2,0,0]=4 249 B18R1.34056 C=C(C)c1ccccc1NC(=O)CCC(=O)OC 1626a_100000037685_100000187943 [0,1,0,0,0,1|2,0,0]=4 250 B18R1.34056 CNC(=O)CCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100011309844 [0,1,0,0,0,1|2,0,0]=4 251 B18R1.34056 CNC(=O)CCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100011309844 [0,1,0,0,0,1|2,0,0]=4 252 B18R1.34056 CNC(=O)CCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100011309844 [0,1,0,0,0,1|2,0,0]=4 253 B18R1.34056 COC(=O)CCC(=O)Cc1ccccc1B(O)O 1458a_100000187943_100009814197 [0,1,0,0,0,1|1,0,1]=4 254 B18R1.34056 COC(=O)CCC(=O)Cc1ccccc1[N+](=O)[O-] 1458a_100000187943_100000181388 [0,1,0,0,0,1|1,0,1]=4 255 B18R1.34056 COC(=O)CCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000187943 [0,1,0,0,0,1|1,0,0]=3 256 B18R1.34056 COC(=O)CCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000187943 [0,1,0,0,0,1|1,0,0]=3 257 B18R1.34056 COC(=O)CCC(=O)Nc1ccccc1C(=S)N 1626a_100000206033_100000187943 [0,1,0,0,0,1|1,1,0]=4 258 B18R1.34056 COC(=O)NCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000215747 [0,1,0,0,0,1|2,0,0]=4 259 B18R1.34056 COC(=O)NCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000215747 [0,1,0,0,0,1|2,0,0]=4 260 B18R1.34056 COC(=O)NCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000215747 [0,1,0,0,0,1|2,0,0]=4 261 B18R1.10296 CNC(=O)CNC(=O)c1ccccc1C(=O)OC 240690a_100000693194_100011215673 [0,2,0,0,0,0|2,0,0]=4 262 B18R1.10296 COC(=O)CCN(C)c1ccccc1C(=O)OC 269982a_100000170468_100000204255 [0,2,0,0,0,0|2,0,0]=4 263 B18R1.10296 COC(=O)CCN(C)c1ccccc1C(=O)OC 34a_100000170468_100000742370 [0,2,0,0,0,0|2,0,0]=4 264 B18R1.34536 COC(=O)c1ccccc1C(=O)C(C)OC(=O)C 1458a_100011215673_100009818208 [0,2,0,0,0,0|2,0,0]=4 265 B18R1.34537 COC(=O)c1ccccc1C(=O)CC(=O)C(=O)C 1458a_100011215673_100011261029 [0,2,0,0,0,0|1,0,1]=4 266 B18R1.34537 COC(=O)c1ccccc1C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100011215673 [0,2,0,0,0,0|2,0,0]=4 267 B18R1.34591 COC(=O)c1ccccc1C(=O)CCS(=O)(=O)C 1458a_100011215673_100000731031 [0,2,0,0,0,0|1,0,1]=4 268 B18R1.34591 COC(=O)c1ccccc1C(=O)CCS(=O)(=O)[O-] 1458a_100011215673_100000762736 [0,2,0,0,0,0|1,0,1]=4 269 B18R1.247499 C=C(C)CCC(=O)c1cc(ccc1C(=O)OC)F 1458a_200010710419_100000730704 [0,2,0,0,0,0|2,0,0]=4 270 B18R1.247499 COC(=O)c1ccc(cc1C(=O)CCC(C)O)F 1458a_200010710419_100012276601 [0,2,0,0,0,0|1,0,1]=4 271 B18R1.247499 COC(=O)c1ccc(cc1C(=O)NCC(=O)N)F 240690a_100000711301_200010710419 [0,2,0,0,0,0|2,0,0]=4 272 B18R1.248450 C=C(C)CCC(=O)c1c(cccc1C(=O)OC)Br 1458a_100010710481_100000730704 [0,2,0,0,0,0|2,0,0]=4 273 B18R1.248450 COC(=O)c1cccc(c1C(=O)CCC(C)O)Br 1458a_100010710481_100012276601 [0,2,0,0,0,0|1,0,1]=4 274 B18R1.248450 COC(=O)c1cccc(c1C(=O)NCC(=O)N)Br 240690a_100000711301_100010710481 [0,2,0,0,0,0|2,0,0]=4 275 B18R1.248450 COC(=O)c1cccc(c1C(=O)NCC(=O)N)Br 527a_100000711301_100010710481 [0,2,0,0,0,0|2,0,0]=4 276 B16R1.11227 O=C(O)CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000210954 [0,0,1,1,0,0|2,0,0]=4 277 B16R1.11227 O=C(O)CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000210954 [0,0,1,1,0,0|2,0,0]=4 278 B16R1.11227 O=C(O)CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000210954 [0,0,1,1,0,0|2,0,0]=4 279 B16R2.16183 CC(=O)CN1C(=O)c2ccccc2C1=O 1458a_100000070787_100000211781 [1,0,0,1,0,0|2,0,0]=4 280 B16R2.16183 CC(=O)CN1C(=O)c2ccccc2C1=O 1458a_100000180889_200000210301 [1,0,0,1,0,0|2,0,0]=4 281 B16R2.16183 [13CH3]C(=O)CN1C(=O)c2ccccc2C1=O 1458a_100000180889_200025704644 [1,0,0,1,0,0|2,0,0]=4 282 B16R2.2838 CC(=O)c1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000751169 [1,0,0,1,0,0|2,0,0]=4 283 B16R2.2838 NC(=O)c1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000162227 [1,0,0,1,0,0|2,0,0]=4 284 B16R2.214 O=C1CC(C1)Sc2ccccc2C(=O)O 62a_100009894365_100000734275 [1,0,0,1,0,0|2,0,0]=4 285 B18R2.60824 CC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 1458a_100000267538_200000210301 [0,0,0,1,0,1|2,0,0]=4 286 B18R2.60824 [13CH3]C(=O)CCn1[nH]c(=O)c2ccccc2c1=O 1458a_100000267538_200025704644 [0,0,0,1,0,1|2,0,0]=4 287 B18R2.41106 NC(=O)c1ccccc1NC(=O)[C@@H]2CC(=O)N2 22a_100000185089_100016090685 [0,0,0,1,0,1|2,0,0]=4 288 B18R2.131796 NC(=O)CCC(=O)C1CC(=O)c2c1cccc2 1458a_100011215257_100010208147 [0,0,0,1,0,1|2,0,0]=4 289 B18R2.689271 COC(=O)c1ccccc1C(=O)CCC2CO2 1458a_100011215673_100000732470 [0,1,0,1,0,0|1,0,1]=4 290 B14R1.840 C=Cc1ccccc1C(=O)CC(=O)C 271570a_100011290941_200011243946 [1,0,0,0,1,0|2,0,0]=4 291 B14R1.840 C=Cc1ccccc1C(=O)CC(=O)N 1458a_100011830265_100000187820 [1,0,0,0,1,0|2,0,0]=4 292 B14R1.840 C=Cc1ccccc1C(=O)CC(=O)[O-] 1458a_100011830265_100020667443 [1,0,0,0,1,0|1,0,1]=4 293 B14R1.840 NC(=O)CC(=O)c1ccccc1CO 1458a_100011301526_100000187820 [1,0,0,0,1,0|1,0,1]=4 294 B14R1.840 NC(=O)CC(=O)c1ccccc1I=O 1458a_100000032414_100000187820 [1,0,0,0,1,0|2,0,0]=4 295 B14R1.840 O=C([O-])CC(=O)c1ccccc1CO 1458a_100011301526_100020667443 [1,0,0,0,1,0|0,0,2]=4 296 B14R1.840 O=Ic1ccccc1C(=O)CC(=O)[O-] 1458a_100000032414_100020667443 [1,0,0,0,1,0|1,0,1]=4 297 B14R1.4522 NC(=O)CSc1ccccc1C(=O)O 62a_100000747473_100000734275 [1,0,0,0,1,0|2,0,0]=4 298 B14R1.4522 NC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000747473 [1,0,0,0,1,0|2,0,0]=4 299 B14R1.4522 O=C([O-])CSc1ccccc1C(=O)O 62a_100020667443_100000734275 [1,0,0,0,1,0|1,0,1]=4 300 B14R1.4522 O=C([O-])CSc1ccccc1C(=O)O 62a_202125556159_100020667443 [1,0,0,0,1,0|1,0,1]=4 301 B16R1.1369 C=C(C)CCC(=O)Cc1ccccc1C=O 1458a_200000688413_200009853537 [1,0,0,0,0,1|2,0,0]=4 302 B16R1.1369 C=Cc1ccccc1NC(=O)CCC(=O)N 22a_100012022501_100011215257 [1,0,0,0,0,1|2,0,0]=4 303 B16R1.1369 CC(=O)NCC(=O)Cc1ccccc1C=O 1458a_100000194580_200009853537 [1,0,0,0,0,1|2,0,0]=4 304 B16R1.1369 CC(=O)OCC(=O)Cc1ccccc1C=O 1458a_100000183556_200009853537 [1,0,0,0,0,1|2,0,0]=4 305 B16R1.1369 CC(=O)SCC(=O)Cc1ccccc1C=O 1458a_100000049016_200009853537 [1,0,0,0,0,1|2,0,0]=4 306 B16R1.1369 NC(=O)CCC(=O)Cc1ccccc1C=O 1458a_100011215257_200009853537 [1,0,0,0,0,1|1,0,0]=3 307 B16R1.1369 NC(=O)CCC(=O)Cc1ccccc1CO 1458a_100011215257_100009816955 [1,0,0,0,0,1|1,0,1]=4 308 B16R1.1369 NC(=O)CCC(=O)Nc1ccccc1CO 22a_100000212039_100011215257 [1,0,0,0,0,1|1,0,1]=4 309 B16R1.1369 NC(=O)NCC(=O)Cc1ccccc1C=O 1458a_100000184981_200009853537 [1,0,0,0,0,1|2,0,0]=4 310 B16R1.1369 O=Cc1ccccc1CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200009853537 [1,0,0,0,0,1|1,0,1]=4 311 B16R1.18704 C=Cc1ccccc1C(=O)CCCC(=O)C 1458a_100011830265_100011215641 [1,0,0,0,0,1|2,0,0]=4 312 B16R1.18704 C=Cc1ccccc1C(=O)CCCC(=O)N 1458a_100011830265_100102525003 [1,0,0,0,0,1|2,0,0]=4 313 B16R1.18704 C=Cc1ccccc1C(=O)CCNC(=O)C 1458a_100011830265_100000189650 [1,0,0,0,0,1|2,0,0]=4 314 B16R1.18704 C=Cc1ccccc1C(=O)CCNC(=O)N 1458a_100011830265_200000034859 [1,0,0,0,0,1|2,0,0]=4 315 B16R1.18704 C=Cc1ccccc1C(=O)CCOC(=O)C 1458a_100011830265_100009814007 [1,0,0,0,0,1|2,0,0]=4 316 B16R1.18704 C=Cc1ccccc1C(=O)CCOC(=O)N 1458a_100011830265_200011214921 [1,0,0,0,0,1|2,0,0]=4 317 B16R1.18704 CC(=O)CCCC(=O)c1ccccc1CO 1458a_100011301526_100011215641 [1,0,0,0,0,1|1,0,1]=4 318 B16R1.18704 CC(=O)CCCC(=O)c1ccccc1I=O 1458a_100000032414_100011215641 [1,0,0,0,0,1|2,0,0]=4 319 B16R1.18704 CC(=O)NCCC(=O)c1ccccc1CO 1458a_100011301526_100000189650 [1,0,0,0,0,1|1,0,1]=4 320 B16R1.18704 CC(=O)NCCC(=O)c1ccccc1I=O 1458a_100000032414_100000189650 [1,0,0,0,0,1|2,0,0]=4 321 B16R1.18704 CC(=O)OCCC(=O)c1ccccc1CO 1458a_100011301526_100009814007 [1,0,0,0,0,1|1,0,1]=4 322 B16R1.18704 CC(=O)OCCC(=O)c1ccccc1I=O 1458a_100000032414_100009814007 [1,0,0,0,0,1|2,0,0]=4 323 B16R1.18704 COc1ccccc1C(=O)CNCC(=O)O 269956a_100016091260_100000195505 [1,0,0,0,0,1|2,0,0]=4 324 B16R1.18704 NC(=O)CCCC(=O)c1ccccc1CO 1458a_100011301526_100102525003 [1,0,0,0,0,1|1,0,1]=4 325 B16R1.18704 NC(=O)CCCC(=O)c1ccccc1I=O 1458a_100000032414_100102525003 [1,0,0,0,0,1|2,0,0]=4 326 B16R1.18704 NC(=O)CCNC(=O)c1ccccc1I=O 240690a_100000740010_100000032414 [1,0,0,0,0,1|2,0,0]=4 327 B16R1.18704 NC(=O)CCNC(=O)c1ccccc1I=O 527a_100000740010_100000032414 [1,0,0,0,0,1|2,0,0]=4 328 B16R1.18704 NC(=O)NCCC(=O)c1ccccc1CO 1458a_100011301526_200000034859 [1,0,0,0,0,1|1,0,1]=4 329 B16R1.18704 NC(=O)NCCC(=O)c1ccccc1I=O 1458a_100000032414_200000034859 [1,0,0,0,0,1|2,0,0]=4 330 B16R1.18704 NC(=O)OCCC(=O)c1ccccc1CO 1458a_100011301526_200011214921 [1,0,0,0,0,1|1,0,1]=4 331 B16R1.18704 NC(=O)OCCC(=O)c1ccccc1I=O 1458a_100000032414_200011214921 [1,0,0,0,0,1|2,0,0]=4 332 B16R1.4493 C=CCCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000749702 [1,0,0,0,0,1|2,0,0]=4 333 B16R1.4493 C=CCCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000749702 [1,0,0,0,0,1|2,0,0]=4 334 B16R1.4493 C=CCCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000749702 [1,0,0,0,0,1|2,0,0]=4 335 B16R1.12322 CC(=O)CCCSc1ccccc1C(=O)O 62a_100011215641_100000734275 [1,0,0,0,0,1|1,0,1]=4 336 B16R1.12322 CC(=O)CCCSc1ccccc1C(=O)O 62a_202125556159_100011215641 [1,0,0,0,0,1|1,0,1]=4 337 B16R1.12322 CC(=O)CCNCc1ccccc1C(=O)O 269956a_100015183376_100000053229 [1,0,0,0,0,1|1,0,1]=4 338 B16R1.12322 CC(=O)NCCSc1ccccc1C(=O)O 62a_100000189650_100000734275 [1,0,0,0,0,1|2,0,0]=4 339 B16R1.12322 CC(=O)NCCSc1ccccc1C(=O)O 62a_202125556159_100000189650 [1,0,0,0,0,1|2,0,0]=4 340 B16R1.12322 CC(=O)OCCSc1ccccc1C(=O)O 62a_100009814007_100000734275 [1,0,0,0,0,1|2,0,0]=4 341 B16R1.12322 CC(=O)OCCSc1ccccc1C(=O)O 62a_202125556159_100009814007 [1,0,0,0,0,1|2,0,0]=4 342 B16R1.12322 NC(=O)CCCSc1ccccc1C(=O)O 62a_100102525003_100000734275 [1,0,0,0,0,1|1,0,1]=4 343 B16R1.12322 NC(=O)CCCSc1ccccc1C(=O)O 62a_202125556159_100102525003 [1,0,0,0,0,1|1,0,1]=4 344 B16R1.12322 NC(=O)CCNCc1ccccc1C(=O)O 269956a_100015183376_100000744528 [1,0,0,0,0,1|1,0,1]=4 345 B16R1.12322 NC(=O)NCCSc1ccccc1C(=O)O 62a_200000034859_100000734275 [1,0,0,0,0,1|2,0,0]=4 346 B16R1.12322 NC(=O)NCCSc1ccccc1C(=O)O 62a_202125556159_200000034859 [1,0,0,0,0,1|2,0,0]=4 347 B16R1.12322 NC(=O)OCCSc1ccccc1C(=O)O 62a_200011214921_100000734275 [1,0,0,0,0,1|2,0,0]=4 348 B16R1.12322 NC(=O)OCCSc1ccccc1C(=O)O 62a_202125556159_200011214921 [1,0,0,0,0,1|2,0,0]=4 349 B18R1.21060 CC(=O)Oc1ccccc1C(=O)NCCC(=O)N 240690a_100000740010_100000210466 [0,0,0,0,0,2|2,0,0]=4 350 B18R1.21102 CC(=O)Nc1ccccc1NC(=O)CCC(=O)N 22a_100011193560_100011215257 [0,0,0,0,0,2|2,0,0]=4 351 B18R1.20990 O=C(O)CONCC(=O)c1ccccc1[N+](=O)[O-] 269956a_100000106656_100011219728 [0,0,0,0,0,2|1,0,1]=4 352 B18R1.36947 CC(=O)NCCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000183196 [0,0,0,0,0,2|2,0,0]=4 353 B18R1.36947 CC(=O)NCCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000183196 [0,0,0,0,0,2|2,0,0]=4 354 B18R1.36947 CC(=O)NCCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000183196 [0,0,0,0,0,2|2,0,0]=4 355 B18R1.36947 CC(=O)SCCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000048949 [0,0,0,0,0,2|2,0,0]=4 356 B18R1.36947 CC(=O)c1ccccc1NC(=O)CNCC(=O)N 2230a_100000711301_100000183221 [0,0,0,0,0,2|2,0,0]=4 357 B18R1.36947 CC(=O)c1ccccc1NC(=O)CNCC(=O)O 269956a_100016091260_100000183221 [0,0,0,0,0,2|1,0,0]=3 358 B18R1.36947 NC(=O)CNCC(=O)Nc1ccccc1C(=O)N 2230a_100000711301_100000182880 [0,0,0,0,0,2|2,0,0]=4 359 B18R1.36947 NC(=O)COCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100011219004 [0,0,0,0,0,2|2,0,0]=4 360 B18R1.36947 NC(=O)COCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100011219004 [0,0,0,0,0,2|2,0,0]=4 361 B18R1.36947 NC(=O)CSCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000150265 [0,0,0,0,0,2|2,0,0]=4 362 B18R1.36947 NC(=O)CSCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000150265 [0,0,0,0,0,2|2,0,0]=4 363 B18R1.36947 NC(=O)CSCC(=O)Nc1ccccc1C(=O)N 62a_100000182880_100000747473 [0,0,0,0,0,2|2,0,0]=4 364 B18R1.36947 NC(=O)NCCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000181464 [0,0,0,0,0,2|2,0,0]=4 365 B18R1.36947 NC(=O)c1ccccc1NC(=O)CNCC(=O)O 269956a_100016091260_100000182880 [0,0,0,0,0,2|1,0,0]=3 366 B18R1.36947 NC(=O)c1ccccc1NC(=O)CSCC(=O)[O-] 62a_100000182880_100020667443 [0,0,0,0,0,2|1,0,1]=4 367 B18R1.36947 O=C(O)CNCC(=O)Nc1ccccc1[N+](=O)[O-] 269956a_100016091260_100000182460 [0,0,0,0,0,2|1,0,1]=4 368 B18R1.106042 CC(=O)OCC(=O)CSc1ccccc1C(=O)O 62a_100000036994_100000734275 [0,0,0,0,0,2|2,0,0]=4 369 B18R1.106042 CC(=O)OCC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000036994 [0,0,0,0,0,2|2,0,0]=4