0 B25R2.24743 CC(COc1ccccc1)OCC(=O)c2ccc(c(c2)C(=O)N)O 7a_100000210911_100000181319 [0,0,0,0,0,0|2,0,2]=4 1 B25R2.24743 C[C@@H](CCc1ccccc1)OCC(=O)c2ccc(c(c2)C(=O)N)O 7a_100009815974_100000181319 [0,0,0,0,0,0|1,0,2]=3 2 B24R2.26181 NC(=O)c1cc(ccc1O)C(=O)COCCCc2ccccc2 7a_100000210828_100000181319 [1,0,0,0,0,0|1,0,2]=4 3 B24R2.26181 NC(=O)c1cc(ccc1O)C(=O)CSCCCc2ccccc2 62a_100000181319_100000211621 [1,0,0,0,0,0|1,0,2]=4 4 B24R2.26311 CC(CCc1ccccc1)NCCc2ccc(c(c2)[N+](=O)[O-])O 270004a_100000075816_100000210092 [1,0,0,0,0,0|2,0,0]=3 5 B24R2.26311 CC(COc1ccccc1)NCCc2ccc(c(c2)[N+](=O)[O-])O 270004a_100000075816_100000150576 [1,0,0,0,0,0|3,0,0]=4 6 B24R2.26311 CC(CSc1ccccc1)NCCc2ccc(c(c2)[N+](=O)[O-])O 270004a_100000075816_100000150717 [1,0,0,0,0,0|3,0,0]=4 7 B24R2.26311 NC(=O)c1cc(ccc1O)CCNC(=O)OCc2ccccc2 271570a_200010239705_100000192807 [1,0,0,0,0,0|2,0,1]=4 8 B24R2.599239 CC(CCc1ccccc1)NCC(O)c2cccc(c2)[N+](=O)[O-] 270004a_100025716288_100000210092 [1,0,0,0,0,0|2,0,0]=3 9 B24R2.599239 CC(COc1ccccc1)NCC(O)c2cccc(c2)[N+](=O)[O-] 270004a_100025716288_100000150576 [1,0,0,0,0,0|3,0,0]=4 10 B24R2.599239 CC(CSc1ccccc1)NCC(O)c2cccc(c2)[N+](=O)[O-] 270004a_100025716288_100000150717 [1,0,0,0,0,0|3,0,0]=4 11 B26R2.21264 CC(CCc1ccccc1)C(=O)CC(=O)c2ccc(c(c2)C(=O)N)O 1458a_100011435293_100000181319 [0,1,0,0,0,0|1,0,2]=4 12 B26R2.21264 CC(CCc1ccccc1)N(C)CC(O)c2ccc(c(c2)C(=O)N)O 2230a_200000042178_200000210301 [0,1,0,0,0,0|0,0,0]=1 13 B26R2.21264 CC(CCc1ccccc1)N(C)CC(O)c2ccc(c(c2)C(=O)N)O 269982a_200000042178_200000210301 [0,1,0,0,0,0|0,0,0]=1 14 B26R2.21264 CC(CCc1ccccc1)N(C)CC(O)c2ccc(c(c2)C(=O)N)O 34a_200000042178_200000210301 [0,1,0,0,0,0|0,0,0]=1 15 B26R2.21264 CC(CCc1ccccc1)N([13CH3])CC(O)c2ccc(c(c2)C(=O)N)O 2230a_200000042178_200025704644 [0,1,0,0,0,0|0,0,0]=1 16 B26R2.21264 CC(CCc1ccccc1)N([13CH3])CC(O)c2ccc(c(c2)C(=O)N)O 269982a_200000042178_200025704644 [0,1,0,0,0,0|0,0,0]=1 17 B26R2.21264 CC(CCc1ccccc1)N([13CH3])CC(O)c2ccc(c(c2)C(=O)N)O 34a_200000042178_200025704644 [0,1,0,0,0,0|0,0,0]=1 18 B26R2.54096 CC(CCc1ccccc1)NCC(O)c2ccc(c(c2)C(=O)N)O[13CH3] 34a_200000042178_200025704644 [0,1,0,0,0,0|0,0,0]=1 19 B26R2.54096 CC(CCc1ccccc1)NCC(O)c2ccc(c(c2)C(=O)N)O[13CH3] 7a_200000042178_200025704644 [0,1,0,0,0,0|0,0,0]=1 20 B26R2.54096 COc1ccc(cc1C(=O)N)C(O)CNC(C)CCc2ccccc2 34a_200000042178_200000210301 [0,1,0,0,0,0|0,0,0]=1 21 B26R2.54096 COc1ccc(cc1C(=O)N)C(O)CNC(C)CCc2ccccc2 7a_200000042178_200000210301 [0,1,0,0,0,0|0,0,0]=1 22 B26R2.30165893 CC(C)(CCc1ccccc1)OCC(=O)c2ccc(c(c2)C(=O)N)O 7a_100000750528_100000181319 [0,1,0,0,0,0|1,0,2]=4 23 B26R3.458689 NC(=O)c1cc(ccc1O)C(=O)COC2CCc3ccccc3C2 7a_100011216300_100000181319 [0,0,0,1,0,0|1,0,2]=4 24 B26R3.53002865 CC1(CCc2c1cccc2)OCC(=O)c3ccc(c(c3)C(=O)N)O 7a_100000685031_100000181319 [0,0,0,1,0,0|1,0,2]=4 25 B24R2.26197 CN(CCc1ccccc1)CC(=O)c2ccc(c(c2)C(=O)N)O 269982a_100000207497_100000181319 [0,0,0,0,1,0|1,0,2]=4 26 B24R2.26309 CC(Cc1ccccc1)OCC(=O)c2ccc(c(c2)C(=O)N)O 7a_100000748627_100000181319 [0,0,0,0,1,0|1,0,2]=4 27 B24R2.26309 CC(Cc1ccccc1)SCC(=O)c2ccc(c(c2)C(=O)N)O 62a_100000181319_200011218536 [0,0,0,0,1,0|1,0,2]=4 28 B26R2.1413424 CC(CCCc1ccccc1)SCC(=O)c2ccc(c(c2)C(=O)N)O 62a_100000181319_200010759516 [0,0,0,0,0,1|1,0,2]=4 29 B26R2.1413424 CC(COCc1ccccc1)OCC(=O)c2ccc(c(c2)C(=O)N)O 7a_100000764311_100000181319 [0,0,0,0,0,1|1,0,2]=4 30 B23R2.25939 NC(=O)c1cc(ccc1O)SCCCCCc2ccccc2 62a_100000192807_200011217138 [2,0,0,0,0,0|2,0,0]=4 31 B23R2.25939 O=[N+]([O-])c1cc(ccc1O)CCNCCCc2ccccc2 2230a_100000075816_100000211621 [2,0,0,0,0,0|2,0,0]=4 32 B23R2.472835 O=[N+]([O-])c1cccc(c1)C(O)CNCCCc2ccccc2 2230a_100025716288_100000211621 [2,0,0,0,0,0|2,0,0]=4 33 B23R2.17079 CC(CCc1ccccc1)NCCc2cccc(c2)[N+](=O)[O-] 2230a_100000210798_100011935270 [2,0,0,0,0,0|2,0,0]=4 34 B23R2.17079 CC(CCc1ccccc1)NCCc2cccc(c2)[N+](=O)[O-] 270004a_100000694159_100000210092 [2,0,0,0,0,0|2,0,0]=4 35 B23R2.17079 CC(CCc1ccccc1)NCCc2cccc(c2)[N+](=O)[O-] 34a_100000210798_100011935270 [2,0,0,0,0,0|2,0,0]=4 36 B23R2.65366 COc1cc(ccc1O)CCNC(C)CCc2ccccc2 2230a_100000210798_100010741665 [2,0,0,0,0,0|2,0,0]=4 37 B23R2.65366 COc1cc(ccc1O)CCNC(C)CCc2ccccc2 270004a_100000756042_100000210092 [2,0,0,0,0,0|2,0,0]=4 38 B23R2.26716 CC(CCc1ccccc1)NC[C@@H](O)c2ccc(c(c2)F)F 2230a_100000210798_100000761251 [2,0,0,0,0,0|2,0,0]=4 39 B23R2.26716 CC(CCc1ccccc1)NC[C@@H](O)c2ccc(c(c2)F)F 34a_100000210798_100000761251 [2,0,0,0,0,0|2,0,0]=4 40 B25R2.1186028 CN(CCCc1ccccc1)CC(=O)c2ccc(c(c2)C(=O)N)O 269982a_100000693637_100000181319 [1,1,0,0,0,0|0,0,2]=4 41 B25R2.24861 CC(Cc1ccccc1)C(C)NCCc2ccc(c(c2)[N+](=O)[O-])O 269862a_100000075816_200011390852 [1,1,0,0,0,0|2,0,0]=4 42 B25R2.24861 CC(Cc1ccccc1)C(C)NCCc2ccc(c(c2)[N+](=O)[O-])O 270004a_100000075816_200011390852 [1,1,0,0,0,0|2,0,0]=4 43 B25R2.1199993 CC(CCc1ccc(cc1)Cl)NCCc2ccc(c(c2)[N+](=O)[O-])O 270004a_100000075816_100011279170 [1,1,0,0,0,0|2,0,0]=4 44 B25R2.1199993 CC(CCc1ccc(cc1)F)NCCc2ccc(c(c2)[N+](=O)[O-])O 270004a_100000075816_100000743244 [1,1,0,0,0,0|2,0,0]=4 45 B25R2.1199993 CC(CCc1ccc(cc1)I)NCCc2ccc(c(c2)[N+](=O)[O-])O 270004a_100000075816_100000723691 [1,1,0,0,0,0|2,0,0]=4 46 B25R2.1199993 CC(CCc1ccc(cc1)O)NCCc2ccc(c(c2)[N+](=O)[O-])O 270004a_100000075816_100000198047 [1,1,0,0,0,0|2,0,0]=4 47 B25R2.2774647 CCC(CCc1ccccc1)NCCc2ccc(c(c2)[N+](=O)[O-])O 270004a_100000075816_100011279265 [1,1,0,0,0,0|2,0,0]=4 48 B25R2.14551450 CC(CCc1cccc(c1)Br)NCCc2ccc(c(c2)[N+](=O)[O-])O 270004a_100000075816_100011279149 [1,1,0,0,0,0|2,0,0]=4 49 B25R2.14551450 CC(CCc1cccc(c1)F)NCCc2ccc(c(c2)[N+](=O)[O-])O 270004a_100000075816_100000743863 [1,1,0,0,0,0|2,0,0]=4 50 B25R2.733231 CC(Cc1ccccc1)C(C)NCC(O)c2cccc(c2)[N+](=O)[O-] 269862a_100025716288_200011390852 [1,1,0,0,0,0|2,0,0]=4 51 B25R2.733231 CC(Cc1ccccc1)C(C)NCC(O)c2cccc(c2)[N+](=O)[O-] 270004a_100025716288_200011390852 [1,1,0,0,0,0|2,0,0]=4 52 B25R2.1213626 CC(CCc1ccc(cc1)Cl)NCC(O)c2cccc(c2)[N+](=O)[O-] 270004a_100025716288_100011279170 [1,1,0,0,0,0|2,0,0]=4 53 B25R2.1213626 CC(CCc1ccc(cc1)F)NCC(O)c2cccc(c2)[N+](=O)[O-] 270004a_100025716288_100000743244 [1,1,0,0,0,0|2,0,0]=4 54 B25R2.1213626 CC(CCc1ccc(cc1)I)NCC(O)c2cccc(c2)[N+](=O)[O-] 270004a_100025716288_100000723691 [1,1,0,0,0,0|2,0,0]=4 55 B25R2.1213626 CC(CCc1ccc(cc1)O)NCC(O)c2cccc(c2)[N+](=O)[O-] 270004a_100025716288_100000198047 [1,1,0,0,0,0|2,0,0]=4 56 B25R2.7402524 CCC(CCc1ccccc1)NCC(O)c2cccc(c2)[N+](=O)[O-] 270004a_100025716288_100011279265 [1,1,0,0,0,0|2,0,0]=4 57 B25R2.14567556 CC(CCc1cccc(c1)Br)NCC(O)c2cccc(c2)[N+](=O)[O-] 270004a_100025716288_100011279149 [1,1,0,0,0,0|2,0,0]=4 58 B25R2.14567556 CC(CCc1cccc(c1)F)NCC(O)c2cccc(c2)[N+](=O)[O-] 270004a_100025716288_100000743863 [1,1,0,0,0,0|2,0,0]=4 59 B27R2.1625249 CC(CCc1ccccc1)NC(=O)C(C)Sc2ccc(c(c2)C(=O)N)O 62a_100000192807_100000184659 [0,1,0,0,0,1|1,0,1]=4 60 B27R2.1004209 CC(CCc1ccccc1)N(CF)CC(O)c2ccc(c(c2)C(=O)N)O 269982a_200000042178_100015361967 [0,2,0,0,0,0|0,0,0]=2 61 B27R2.1004209 CC(CCc1ccccc1)N(CF)CC(O)c2ccc(c(c2)C(=O)N)O 34a_200000042178_100015361967 [0,2,0,0,0,0|0,0,0]=2 62 B27R2.1004209 CCN(CC(O)c1ccc(c(c1)C(=O)N)O)C(C)CCc2ccccc2 2230a_200000042178_100000210202 [0,2,0,0,0,0|0,0,0]=2 63 B27R2.1004209 CCN(CC(O)c1ccc(c(c1)C(=O)N)O)C(C)CCc2ccccc2 269982a_200000042178_100000204670 [0,2,0,0,0,0|0,0,0]=2 64 B27R2.1004209 CCN(CC(O)c1ccc(c(c1)C(=O)N)O)C(C)CCc2ccccc2 34a_200000042178_100000210202 [0,2,0,0,0,0|0,0,0]=2 65 B27R2.178340 CC(CCc1ccccc1)NCC(O)c2ccc(c(c2)C(=O)N)OCF 34a_200000042178_100015361967 [0,2,0,0,0,0|0,0,0]=2 66 B27R2.178340 CC(CCc1ccccc1)NCC(O)c2ccc(c(c2)C(=O)N)OCF 7a_200000042178_100015361967 [0,2,0,0,0,0|0,0,0]=2 67 B27R2.178340 CCOc1ccc(cc1C(=O)N)C(O)CNC(C)CCc2ccccc2 34a_200000042178_100000210202 [0,2,0,0,0,0|0,0,0]=2 68 B27R2.178340 CCOc1ccc(cc1C(=O)N)C(O)CNC(C)CCc2ccccc2 7a_200000042178_100000210202 [0,2,0,0,0,0|0,0,0]=2 69 B25R3.118888 NC(=O)c1cc(ccc1O)C(=O)CN2CCC2c3ccccc3 269982a_100000739605_100000181319 [1,0,0,1,0,0|0,0,2]=4 70 B25R3.118892 NC(=O)c1cc(ccc1O)C(=O)CN2C[C@@H]2Cc3ccccc3 269982a_100016998360_100000181319 [1,0,0,1,0,0|0,0,2]=4 71 B25R3.751389 O=[N+]([O-])c1cc(ccc1O)CCNC2CC(C2)c3ccccc3 270004a_100000075816_100000741317 [1,0,0,1,0,0|2,0,0]=4 72 B25R3.751411 O=[N+]([O-])c1cc(ccc1O)CCNC2CCc3ccccc3C2 270004a_100000075816_100000212018 [1,0,0,1,0,0|2,0,0]=4 73 B25R3.3951157 O=[N+]([O-])c1cccc(c1)C(O)CNC2CC(C2)c3ccccc3 270004a_100025716288_100000741317 [1,0,0,1,0,0|2,0,0]=4 74 B25R3.3951170 O=[N+]([O-])c1cccc(c1)C(O)CNC2CCc3ccccc3C2 270004a_100025716288_100000212018 [1,0,0,1,0,0|2,0,0]=4 75 B23R2.25940 CC(CCc1ccccc1)NCc2ccc(c(c2)[N+](=O)[O-])O 2230a_100000210798_100010149780 [1,0,0,0,1,0|2,0,0]=4 76 B23R2.472847 CC(CCc1ccccc1)NC(=O)c2cccc(c2)C(=O)N 11a_100000210798_100000736676 [1,0,0,0,1,0|0,0,2]=4 77 B23R2.472847 CC(CCc1ccccc1)NC(=O)c2cccc(c2)C(=O)N 1626a_100000210798_100000736676 [1,0,0,0,1,0|0,0,2]=4 78 B23R2.472847 CC(CCc1ccccc1)NC(=O)c2cccc(c2)C(=O)N 240690a_100000210798_100000736676 [1,0,0,0,1,0|0,0,2]=4 79 B23R2.472847 CC(CCc1ccccc1)NC(=O)c2cccc(c2)C(=O)N 527a_100000210798_100000736676 [1,0,0,0,1,0|0,0,2]=4 80 B25R2.24742 NC(=O)c1cc(ccc1O)C(=O)CNCCSCc2ccccc2 7a_100000189534_100000181319 [1,0,0,0,0,1|0,0,2]=4 81 B25R2.24855 CC(CCCc1ccccc1)NCCc2ccc(c(c2)[N+](=O)[O-])O 2230a_100000075816_200010759516 [1,0,0,0,0,1|2,0,0]=4 82 B25R2.24855 CC(COCc1ccccc1)NCCc2ccc(c(c2)[N+](=O)[O-])O 270004a_100000075816_100011215004 [1,0,0,0,0,1|2,0,0]=4 83 B25R2.24855 CC(CSCc1ccccc1)NCCc2ccc(c(c2)[N+](=O)[O-])O 270004a_100000075816_100000172147 [1,0,0,0,0,1|2,0,0]=4 84 B25R2.733161 CC(CCc1ccccc1)NCC(=O)Nc2cccc(c2)C(=O)N 2230a_100000210798_100011272425 [1,0,0,0,0,1|0,0,2]=4 85 B25R2.733161 CC(CCc1ccccc1)NCC(=O)Nc2cccc(c2)C(=O)N 34a_100000210798_100011272425 [1,0,0,0,0,1|0,0,2]=4 86 B25R2.733866 CC(CCCc1ccccc1)NCC(O)c2cccc(c2)[N+](=O)[O-] 2230a_100025716288_200010759516 [1,0,0,0,0,1|2,0,0]=4 87 B25R2.733866 CC(COCc1ccccc1)NCC(O)c2cccc(c2)[N+](=O)[O-] 270004a_100025716288_100011215004 [1,0,0,0,0,1|2,0,0]=4 88 B25R2.733866 CC(CSCc1ccccc1)NCC(O)c2cccc(c2)[N+](=O)[O-] 270004a_100025716288_100000172147 [1,0,0,0,0,1|2,0,0]=4