0 B15R1.3565 C=C(C)CN(Cc1ccccc1)C(=O)C 11a_100015184565_100015343762 [0,0,0,0,0,0|4,0,0]=4 1 B15R1.3565 C=C(C)CN(Cc1ccccc1)C(=O)C 1626a_100015184565_100015343762 [0,0,0,0,0,0|4,0,0]=4 2 B15R1.3565 C=C(C)CN(Cc1ccccc1)C(=O)C 527a_100015184565_100103153847 [0,0,0,0,0,0|4,0,0]=4 3 B15R1.3565 CC(=O)N(Cc1ccccc1)CC(C)O 240690a_100000189065_100015343762 [0,0,0,0,0,0|3,0,1]=4 4 B15R1.3565 CC(=O)N(Cc1ccccc1)CC(C)O 527a_100000189065_100103153847 [0,0,0,0,0,0|3,0,1]=4 5 B15R1.3565 CC(=O)NC(Cc1ccccc1)C(=O)N 11a_100000745710_100015343762 [0,0,0,0,0,0|3,0,0]=3 6 B15R1.3565 CC(=O)NC(Cc1ccccc1)C(=O)N 1626a_100000745710_100015343762 [0,0,0,0,0,0|3,0,0]=3 7 B15R1.3565 CC(=O)NC(Cc1ccccc1)C(=O)N 240690a_100000745710_100015343762 [0,0,0,0,0,0|3,0,0]=3 8 B15R1.3565 CC(=O)NC(Cc1ccccc1)C(=O)N 527a_100000745710_100103153847 [0,0,0,0,0,0|3,0,0]=3 9 B15R1.3565 CC(=O)N[C@@H](Cc1ccccc1)C(=O)C 1458a_100011416797_200000210301 [0,0,0,0,0,0|3,0,0]=3 10 B15R1.3565 CC(=O)N[C@@H](Cc1ccccc1)C(=O)[13CH3] 1458a_100011416797_200025704644 [0,0,0,0,0,0|3,0,0]=3 11 B15R1.3565 CC(=O)O[C@@H](Cc1ccccc1)C(=O)C 1458a_200015294773_200000210301 [0,0,0,0,0,0|3,0,0]=3 12 B15R1.3565 CC(=O)O[C@@H](Cc1ccccc1)C(=O)[13CH3] 1458a_200015294773_200025704644 [0,0,0,0,0,0|3,0,0]=3 13 B15R1.3565 CC(C)N(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000210206 [0,0,0,0,0,0|3,0,1]=4 14 B14R1.549 CC(=O)NC(CO)Cc1ccccc1 240690a_100000739027_100015343762 [1,0,0,0,0,0|2,0,1]=4 15 B14R1.549 CC(=O)NC(CO)Cc1ccccc1 527a_100000739027_100103153847 [1,0,0,0,0,0|2,0,1]=4 16 B14R1.549 CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000210202 [1,0,0,0,0,0|2,0,1]=4 17 B14R1.549 CCN(CC(=O)O)Cc1ccccc1 269956a_100000746405_100015291786 [1,0,0,0,0,0|2,0,1]=4 18 B14R1.549 CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200000210301 [1,0,0,0,0,0|2,0,0]=3 19 B14R1.549 O=C(O)CN(CF)Cc1ccccc1 269956a_100000745947_100015361967 [1,0,0,0,0,0|2,0,1]=4 20 B14R1.549 O=C([O-])CN(CO)Cc1ccccc1 269956a_100016989150_100015291786 [1,0,0,0,0,0|1,0,2]=4 21 B14R1.549 [13CH3]N[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200025704644 [1,0,0,0,0,0|2,0,0]=3 22 B14R1.980 C=CCN(Cc1ccccc1)C(=O)C 11a_100000196212_100015343762 [1,0,0,0,0,0|3,0,0]=4 23 B14R1.980 C=CCN(Cc1ccccc1)C(=O)C 1626a_100000196212_100015343762 [1,0,0,0,0,0|3,0,0]=4 24 B14R1.980 C=CCN(Cc1ccccc1)C(=O)C 240690a_100000196212_100015343762 [1,0,0,0,0,0|3,0,0]=4 25 B14R1.980 C=CCN(Cc1ccccc1)C(=O)C 527a_100000196212_100103153847 [1,0,0,0,0,0|3,0,0]=4 26 B14R1.980 CC(=O)N(CCO)Cc1ccccc1 240690a_100000180844_100015343762 [1,0,0,0,0,0|2,0,1]=4 27 B14R1.980 CC(=O)N(CCO)Cc1ccccc1 527a_100000180844_100103153847 [1,0,0,0,0,0|2,0,1]=4 28 B16R1.5825 C=C(C)CN(Cc1ccccc1)C(=O)CO 527a_100015184565_100000210174 [0,1,0,0,0,0|3,0,0]=4 29 B16R1.5825 CC(=O)N[C@@H](Cc1ccccc1)C(=O)CF 1458a_100011416797_100015361967 [0,1,0,0,0,0|3,0,0]=4 30 B16R1.5825 CC(=O)O[C@@H](Cc1ccccc1)C(=O)CF 1458a_200015294773_100015361967 [0,1,0,0,0,0|3,0,0]=4 31 B16R1.5825 CC(O)CN(Cc1ccccc1)C(=O)CO 240690a_100000189065_100000210174 [0,1,0,0,0,0|2,0,1]=4 32 B16R1.5825 CC(O)CN(Cc1ccccc1)C(=O)CO 527a_100000189065_100000210174 [0,1,0,0,0,0|2,0,1]=4 33 B16R1.5825 CCC(=O)[C@H](Cc1ccccc1)NC(=O)C 1458a_100011416797_100000210202 [0,1,0,0,0,0|3,0,0]=4 34 B16R1.5825 CCC(=O)[C@H](Cc1ccccc1)OC(=O)C 1458a_200015294773_100000210202 [0,1,0,0,0,0|3,0,0]=4 35 B16R1.5825 CNC(=O)C(Cc1ccccc1)NC(=O)C 11a_100000719550_100015343762 [0,1,0,0,0,0|3,0,0]=4 36 B16R1.5825 CNC(=O)C(Cc1ccccc1)NC(=O)C 1626a_100000719550_100015343762 [0,1,0,0,0,0|3,0,0]=4 37 B16R1.5825 CNC(=O)C(Cc1ccccc1)NC(=O)C 240690a_100000719550_100015343762 [0,1,0,0,0,0|3,0,0]=4 38 B16R1.5825 CNC(=O)C(Cc1ccccc1)NC(=O)C 527a_100000719550_100103153847 [0,1,0,0,0,0|3,0,0]=4 39 B16R1.5825 CNC(=O)[C@H](Cc1ccccc1)NC(=O)C 11a_106832991635_100011416797 [0,1,0,0,0,0|3,0,0]=4 40 B16R1.5825 CNC(=O)[C@H](Cc1ccccc1)NC(=O)C 1626a_100102657272_100011416797 [0,1,0,0,0,0|3,0,0]=4 41 B16R1.5825 CNC(=O)[C@H](Cc1ccccc1)NC(=O)C 240690a_100102657272_100011416797 [0,1,0,0,0,0|3,0,0]=4 42 B16R1.5825 CNC(=O)[C@H](Cc1ccccc1)NC(=O)C 527a_100102657272_100011416797 [0,1,0,0,0,0|3,0,0]=4 43 B16R1.5825 CNC(=O)[C@H](Cc1ccccc1)OC(=O)C 11a_106832991635_200015294773 [0,1,0,0,0,0|3,0,0]=4 44 B16R1.5825 CNC(=O)[C@H](Cc1ccccc1)OC(=O)C 1626a_100102657272_200015294773 [0,1,0,0,0,0|3,0,0]=4 45 B16R1.5825 CNC(=O)[C@H](Cc1ccccc1)OC(=O)C 240690a_100102657272_200015294773 [0,1,0,0,0,0|3,0,0]=4 46 B16R1.5825 CNC(=O)[C@H](Cc1ccccc1)OC(=O)C 527a_100102657272_200015294773 [0,1,0,0,0,0|3,0,0]=4 47 B16R1.5825 COC(=O)C(Cc1cccnc1)NC(=O)C 188690a_100121595588_100015343762 [0,1,0,0,0,0|3,0,0]=4 48 B16R1.5825 COC(=O)[C@@H](CC(=O)C)Cc1ccccc1 1458a_100000010559_200000210301 [0,1,0,0,0,0|1,0,0]=2 49 B16R1.5825 COC(=O)[C@@H](CC(=O)[13CH3])Cc1ccccc1 1458a_100000010559_200025704644 [0,1,0,0,0,0|1,0,0]=2 50 B16R1.5825 COC(=O)[C@@H](Cc1ccccn1)NC(=O)C 188690a_100020631003_100015343762 [0,1,0,0,0,0|3,0,0]=4 51 B16R1.5825 COC(=O)[C@H](Cc1ccccc1)NC(=O)C 188690a_100000009509_100015343762 [0,1,0,0,0,0|2,0,0]=3 52 B16R1.5825 COC(C)N(CC(=O)O)Cc1ccccc1 269956a_100000745947_100009879195 [0,1,0,0,0,0|2,0,1]=4 53 B16R1.5825 C[C@H](CO)N(CC(=O)O)Cc1ccccc1 269956a_100000745947_100016084084 [0,1,0,0,0,0|2,0,1]=4 54 B16R1.6729 C=CC(=O)NC(Cc1ccccc1)C(=O)N 1626a_100000745710_100000185746 [0,1,0,0,0,0|3,0,0]=4 55 B16R1.6729 C=CC(=O)NC(Cc1ccccc1)C(=O)N 240690a_100000745710_200121576911 [0,1,0,0,0,0|3,0,0]=4 56 B16R1.6729 CCC(=O)NC(Cc1ccccc1)C(=O)N 11a_100000745710_100000210414 [0,1,0,0,0,0|3,0,0]=4 57 B16R1.6729 CCC(=O)NC(Cc1ccccc1)C(=O)N 1626a_100000745710_100000210414 [0,1,0,0,0,0|3,0,0]=4 58 B16R1.6729 CCC(=O)NC(Cc1ccccc1)C(=O)N 240690a_100000745710_100000210414 [0,1,0,0,0,0|3,0,0]=4 59 B16R1.6729 CCC(=O)NC(Cc1ccccc1)C(=O)N 527a_100000745710_100000210414 [0,1,0,0,0,0|3,0,0]=4 60 B16R1.6729 CNC(=O)NC(Cc1ccccc1)C(=O)N 2708a_100102657272_100000745710 [0,1,0,0,0,0|3,0,0]=4 61 B16R1.6729 CNC(=O)NC(Cc1ccccc1)C(=O)N 273464a_100000745710_100102657272 [0,1,0,0,0,0|3,0,0]=4 62 B16R1.6729 CNC(=O)NC(Cc1ccccc1)C(=O)N 273464a_100102657272_100000745710 [0,1,0,0,0,0|3,0,0]=4 63 B16R1.6729 CNC(=O)NC(Cc1ccccc1)C(=O)N 512a_106832991638_100000745710 [0,1,0,0,0,0|3,0,0]=4 64 B16R1.6729 COC(=O)CN(Cc1ccccc1)C(=O)C 11a_100000219879_100015343762 [0,1,0,0,0,0|2,0,0]=3 65 B16R1.6729 COC(=O)CN(Cc1ccccc1)C(=O)C 1626a_100000219879_100015343762 [0,1,0,0,0,0|2,0,0]=3 66 B16R1.6729 COC(=O)CN(Cc1ccccc1)C(=O)C 240690a_100000219879_100015343762 [0,1,0,0,0,0|2,0,0]=3 67 B16R1.6729 COC(=O)N[C@H](Cc1ccccc1)C(=O)C 1458a_100012355454_200000210301 [0,1,0,0,0,0|2,0,0]=3 68 B16R1.6729 COC(=O)N[C@H](Cc1ccccc1)C(=O)[13CH3] 1458a_100012355454_200025704644 [0,1,0,0,0,0|2,0,0]=3 69 B16R1.6729 NC(=O)C(Cc1ccccc1)NC(=O)CO 240690a_100000745710_100000210174 [0,1,0,0,0,0|2,0,0]=3 70 B16R1.6729 NC(=O)C(Cc1ccccc1)NC(=O)CO 527a_100000745710_100000210174 [0,1,0,0,0,0|2,0,0]=3 71 B16R1.6927 CC(=O)C(Cc1ccc(cc1)O)NC(=O)N 1458a_200011194154_200000210301 [0,1,0,0,0,0|3,0,0]=4 72 B16R1.6927 CC(=O)NC(Cc1ccc(cc1)Br)C(=O)C 1458a_200011216485_200000210301 [0,1,0,0,0,0|3,0,0]=4 73 B16R1.6927 CC(=O)NC(Cc1ccc(cc1)Br)C(=O)[13CH3] 1458a_200011216485_200025704644 [0,1,0,0,0,0|3,0,0]=4 74 B16R1.6927 CC(=O)NC(Cc1ccc(cc1)F)C(=O)C 1458a_100011218019_200000210301 [0,1,0,0,0,0|3,0,0]=4 75 B16R1.6927 CC(=O)NC(Cc1ccc(cc1)F)C(=O)[13CH3] 1458a_100011218019_200025704644 [0,1,0,0,0,0|3,0,0]=4 76 B16R1.6927 CC(=O)NC(Cc1ccc(cc1)I)C(=O)C 1458a_200012290977_200000210301 [0,1,0,0,0,0|3,0,0]=4 77 B16R1.6927 CC(=O)NC(Cc1ccc(cc1)I)C(=O)[13CH3] 1458a_200012290977_200025704644 [0,1,0,0,0,0|3,0,0]=4 78 B16R1.6927 CC(=O)N[C@@H](Cc1ccc(cc1)Cl)C(=O)C 1458a_100010199457_200000210301 [0,1,0,0,0,0|3,0,0]=4 79 B16R1.6927 CC(=O)N[C@@H](Cc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100010199457_200025704644 [0,1,0,0,0,0|3,0,0]=4 80 B16R1.6927 CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)C 1458a_100011417693_200000210301 [0,1,0,0,0,0|3,0,0]=4 81 B16R1.6927 CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N 240690a_100011423149_100015343762 [0,1,0,0,0,0|3,0,0]=4 82 B16R1.6927 CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[13CH3] 1458a_100011417693_200025704644 [0,1,0,0,0,0|3,0,0]=4 83 B16R1.6927 [13CH3]C(=O)C(Cc1ccc(cc1)O)NC(=O)N 1458a_200011194154_200025704644 [0,1,0,0,0,0|3,0,0]=4 84 B16R1.8814 CC(=O)NC(Cc1ccccc1F)C(=O)C 1458a_200011218568_200000210301 [0,1,0,0,0,0|3,0,0]=4 85 B16R1.8814 CC(=O)NC(Cc1ccccc1F)C(=O)[13CH3] 1458a_200011218568_200025704644 [0,1,0,0,0,0|3,0,0]=4 86 B16R2.3989 CC(=O)CC1Oc2ccccc2NC1=O 1458a_100000016180_200000210301 [0,0,0,1,0,0|3,0,0]=4 87 B16R2.3989 CC(=O)CC1Sc2ccccc2NC1=O 1458a_100000010723_200000210301 [0,0,0,1,0,0|3,0,0]=4 88 B16R2.3989 [13CH3]C(=O)CC1Oc2ccccc2NC1=O 1458a_100000016180_200025704644 [0,0,0,1,0,0|3,0,0]=4 89 B16R2.3989 [13CH3]C(=O)CC1Sc2ccccc2NC1=O 1458a_100000010723_200025704644 [0,0,0,1,0,0|3,0,0]=4 90 B14R1.4513 CC(=O)C(Sc1ccccc1)C(=O)C 62a_100000210371_100000041952 [0,0,0,0,1,0|3,0,0]=4 91 B14R1.4513 CC(=O)C(Sc1ccccc1)C(=O)C 62a_100000719477_100000210371 [0,0,0,0,1,0|3,0,0]=4 92 B14R1.6455 CC(=O)CN(C(=O)C)c1ccccc1 1458a_100000188139_200000210301 [0,0,0,0,1,0|3,0,0]=4 93 B14R1.6455 CC(=O)N(CC(=O)N)c1ccccc1 11a_100000212578_100015343762 [0,0,0,0,1,0|3,0,0]=4 94 B14R1.6455 CC(=O)N(CC(=O)N)c1ccccc1 1626a_100000212578_100015343762 [0,0,0,0,1,0|3,0,0]=4 95 B14R1.6455 CC(=O)N(CC(=O)[13CH3])c1ccccc1 1458a_100000188139_200025704644 [0,0,0,0,1,0|3,0,0]=4 96 B14R1.6455 CC(=O)NC(C(=O)C)c1ccccc1 1458a_100000195599_200000210301 [0,0,0,0,1,0|3,0,0]=4 97 B14R1.6455 CC(=O)NC(C(=O)[13CH3])c1ccccc1 1458a_100000195599_200025704644 [0,0,0,0,1,0|3,0,0]=4 98 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 11a_100011423151_100015343762 [0,0,0,0,1,0|3,0,0]=4 99 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 1626a_100011423151_100015343762 [0,0,0,0,1,0|3,0,0]=4 100 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 240690a_100011423151_100015343762 [0,0,0,0,1,0|3,0,0]=4 101 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 527a_100011423151_100103153847 [0,0,0,0,1,0|3,0,0]=4 102 B14R1.6455 CC(=O)O[C@@H](C(=O)C)c1ccccc1 1458a_100016990227_200000210301 [0,0,0,0,1,0|3,0,0]=4 103 B14R1.6455 CC(=O)O[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100016990227_200025704644 [0,0,0,0,1,0|3,0,0]=4 104 B16R1.3939 C=C(C)CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000748629 [0,0,0,0,0,1|3,0,0]=4 105 B16R1.3939 C=C(F)CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000042424 [0,0,0,0,0,1|3,0,0]=4 106 B16R1.3939 CC(C)N[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_100000210206 [0,0,0,0,0,1|2,0,1]=4 107 B16R1.3939 CC(O)CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100011218427 [0,0,0,0,0,1|2,0,1]=4 108 B16R1.3939 C[C@@H](O)CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100009817552 [0,0,0,0,0,1|2,0,1]=4 109 B16R1.3939 NC(=O)CN(CC(=O)N)Cc1ccccc1 2230a_100000232323_100015291786 [0,0,0,0,0,1|3,0,0]=4 110 B16R1.3939 NC(=O)CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000187820 [0,0,0,0,0,1|2,0,0]=3 111 B16R1.3939 O=C(O)CN(Cc1ccccc1)C[N+](=O)[O-] 269956a_100000745947_100000761209 [0,0,0,0,0,1|2,0,1]=4 112 B16R1.3939 O=C([O-])CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100020667443 [0,0,0,0,0,1|1,0,1]=3 113 B16R1.12227 CC(=O)NC(CCc1ccccc1)C(=O)C 1458a_200011902799_200000210301 [0,0,0,0,0,1|3,0,0]=4 114 B16R1.12227 CC(=O)NC(CCc1ccccc1)C(=O)[13CH3] 1458a_200011902799_200025704644 [0,0,0,0,0,1|3,0,0]=4 115 B16R1.12227 CC(=O)NC(CSc1ccccc1)C(=O)C 1458a_200011218355_200000210301 [0,0,0,0,0,1|3,0,0]=4 116 B16R1.12227 CC(=O)NC(CSc1ccccc1)C(=O)[13CH3] 1458a_200011218355_200025704644 [0,0,0,0,0,1|3,0,0]=4 117 B16R1.12227 CC(C)C(CC(=O)O)NCc1ccccc1 269956a_100000695669_100015291786 [0,0,0,0,0,1|2,0,1]=4 118 B16R1.12227 CS(=O)C[C@H](NCc1ccccc1)C(=O)O 269956a_100009817418_100015291786 [0,0,0,0,0,1|2,0,0]=3 119 B16R1.12227 CS(=O)C[C@H](NCc1ccccn1)C(=O)O 269956a_100009817418_100000721315 [0,0,0,0,0,1|3,0,0]=4 120 B16R1.12227 CS(=O)C[C@H](NCc1cccnc1)C(=O)O 269956a_100009817418_100000733263 [0,0,0,0,0,1|3,0,0]=4 121 B16R1.12227 CS(=O)C[C@H](NCc1ccncc1)C(=O)O 269956a_100009817418_100015193705 [0,0,0,0,0,1|3,0,0]=4 122 B16R1.12227 NC(=O)C[C@H](NCc1ccccc1)C(=O)N 2230a_100000143228_100015291786 [0,0,0,0,0,1|2,0,0]=3 123 B16R1.12227 NC(=O)C[C@H](NCc1ccccn1)C(=O)N 2230a_100000143228_100000721315 [0,0,0,0,0,1|3,0,0]=4 124 B16R1.12227 NC(=O)C[C@H](NCc1cccnc1)C(=O)N 2230a_100000143228_100000741622 [0,0,0,0,0,1|3,0,0]=4 125 B16R1.12227 NC(=O)C[C@H](NCc1ccncc1)C(=O)N 2230a_100000143228_100015193705 [0,0,0,0,0,1|3,0,0]=4 126 B16R1.12306 C=C(C)CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000748629 [0,0,0,0,0,1|3,0,0]=4 127 B16R1.12306 C=C(C)CNC(Cc1ccccc1)C(=O)N 34a_100000745710_100000748629 [0,0,0,0,0,1|3,0,0]=4 128 B16R1.12306 C=C(F)CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100009893438 [0,0,0,0,0,1|3,0,0]=4 129 B16R1.12306 C=C(F)CNC(Cc1ccccc1)C(=O)N 34a_100000745710_100009893438 [0,0,0,0,0,1|3,0,0]=4 130 B16R1.12306 CC(=O)N(CCC(=O)N)Cc1ccccc1 11a_100000177509_100015343762 [0,0,0,0,0,1|3,0,0]=4 131 B16R1.12306 CC(=O)N(CCC(=O)N)Cc1ccccc1 1626a_100000177509_100015343762 [0,0,0,0,0,1|3,0,0]=4 132 B16R1.12306 CC(=O)N(CCC(=O)N)Cc1ccccc1 240690a_100000177509_100015343762 [0,0,0,0,0,1|3,0,0]=4 133 B16R1.12306 CC(=O)N(CCC(=O)N)Cc1ccccc1 527a_100000177509_100103153847 [0,0,0,0,0,1|3,0,0]=4 134 B16R1.12306 CC(=O)SCC(Cc1ccccc1)C(=O)C 1458a_100000066118_200000210301 [0,0,0,0,0,1|2,0,0]=3 135 B16R1.12306 CC(=O)SCC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000066118_200025704644 [0,0,0,0,0,1|2,0,0]=3 136 B16R1.12306 CC(O)CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100011218427 [0,0,0,0,0,1|2,0,1]=4 137 B16R1.12306 CC(O)CNC(Cc1ccccc1)C(=O)N 34a_100000745710_100011218427 [0,0,0,0,0,1|2,0,1]=4 138 B16R1.12306 C[C@@H](O)CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100009817552 [0,0,0,0,0,1|2,0,1]=4 139 B16R1.12306 C[C@@H](O)CNC(Cc1ccccc1)C(=O)N 34a_100000745710_100009817552 [0,0,0,0,0,1|2,0,1]=4 140 B16R1.12306 NC(=O)C(Cc1ccccc1)NCC(=O)[O-] 34a_100000745710_100020667443 [0,0,0,0,0,1|1,0,1]=3 141 B16R1.12306 NC(=O)C(Cc1ccccc1)NC[N+](=O)[O-] 34a_100000745710_100000761209 [0,0,0,0,0,1|2,0,1]=4 142 B16R1.12306 NC(=O)CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000747473 [0,0,0,0,0,1|2,0,0]=3 143 B16R1.12306 NC(=O)CNC(Cc1ccccc1)C(=O)N 34a_100000745710_100000187820 [0,0,0,0,0,1|2,0,0]=3 144 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [2,0,0,0,0,0|1,0,1]=4 145 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [2,0,0,0,0,0|1,0,1]=4 146 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [2,0,0,0,0,0|1,0,1]=4 147 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [2,0,0,0,0,0|1,0,1]=4 148 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [2,0,0,0,0,0|1,0,1]=4 149 B15R1.656 CN[C@H](CC(=O)O)Cc1ccc(cc1)Cl 269956a_200000016933_200000210301 [1,1,0,0,0,0|2,0,0]=4 150 B15R1.656 CN[C@H](CC(=O)O)Cc1ccc(cc1)F 269956a_100015260418_200000210301 [1,1,0,0,0,0|2,0,0]=4 151 B15R1.656 [13CH3]N[C@H](CC(=O)O)Cc1ccc(cc1)Cl 269956a_200000016933_200025704644 [1,1,0,0,0,0|2,0,0]=4 152 B15R1.656 [13CH3]N[C@H](CC(=O)O)Cc1ccc(cc1)F 269956a_100015260418_200025704644 [1,1,0,0,0,0|2,0,0]=4 153 B15R1.663 CN[C@@H](CC(=O)O)Cc1cccc(c1)F 269956a_100016990688_200000210301 [1,1,0,0,0,0|2,0,0]=4 154 B15R1.663 CN[C@H](CC(=O)O)Cc1cccc(c1)Cl 269956a_100016990687_200000210301 [1,1,0,0,0,0|2,0,0]=4 155 B15R1.663 [13CH3]N[C@@H](CC(=O)O)Cc1cccc(c1)F 269956a_100016990688_200025704644 [1,1,0,0,0,0|2,0,0]=4 156 B15R1.663 [13CH3]N[C@H](CC(=O)O)Cc1cccc(c1)Cl 269956a_100016990687_200025704644 [1,1,0,0,0,0|2,0,0]=4 157 B15R1.966 O=C(CO)NC(CO)Cc1ccccc1 240690a_100000739027_100000210174 [1,1,0,0,0,0|1,0,1]=4 158 B15R1.966 O=C(CO)NC(CO)Cc1ccccc1 527a_100000739027_100000210174 [1,1,0,0,0,0|1,0,1]=4 159 B15R1.1310 C=CCN(CC(=O)O)Cc1ccccc1 269956a_100000744315_100015291786 [1,1,0,0,0,0|2,0,0]=4 160 B15R1.1310 C=CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000210623 [1,1,0,0,0,0|2,0,0]=4 161 B15R1.1310 CCN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_100000210202 [1,1,0,0,0,0|1,0,1]=4 162 B15R1.1310 COCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000766300 [1,1,0,0,0,0|1,0,1]=4 163 B15R1.1310 O=C(O)CN(CCO)Cc1ccccc1 269956a_100000745947_100000211926 [1,1,0,0,0,0|1,0,1]=4 164 B15R1.1310 O=C(O)CN(CCO)Cc1ccccc1 269956a_100000747938_100015291786 [1,1,0,0,0,0|1,0,1]=4 165 B15R1.1310 O=C(O)C[C@H](Cc1ccccc1)NCF 269956a_100000009519_100015361967 [1,1,0,0,0,0|1,0,1]=4 166 B15R1.1310 O=CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200015260668 [1,1,0,0,0,0|1,0,0]=3 167 B15R1.1308 C=CCN(Cc1ccccc1)C(=O)CO 240690a_100000196212_100000210174 [1,1,0,0,0,0|2,0,0]=4 168 B15R1.1308 C=CCN(Cc1ccccc1)C(=O)CO 527a_100000196212_100000210174 [1,1,0,0,0,0|2,0,0]=4 169 B15R1.1308 O=C(CO)N(CCO)Cc1ccccc1 240690a_100000180844_100000210174 [1,1,0,0,0,0|1,0,1]=4 170 B15R1.1308 O=C(CO)N(CCO)Cc1ccccc1 527a_100000180844_100000210174 [1,1,0,0,0,0|1,0,1]=4 171 B15R1.3922 C=CCNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000210623 [1,1,0,0,0,0|2,0,0]=4 172 B15R1.3922 C=CCNC(Cc1ccccc1)C(=O)N 34a_100000745710_100015514636 [1,1,0,0,0,0|2,0,0]=4 173 B15R1.3922 NC(=O)C(Cc1ccccc1)NCC=O 2230a_100000745710_200015260668 [1,1,0,0,0,0|1,0,0]=3 174 B15R1.3922 NC(=O)C(Cc1ccccc1)NCC=O 34a_100000745710_200009817547 [1,1,0,0,0,0|1,0,0]=3 175 B15R1.3922 NC(=O)C(Cc1ccccc1)NCCO 2230a_100000745710_100000211926 [1,1,0,0,0,0|1,0,1]=4 176 B15R1.3922 NC(=O)C(Cc1ccccc1)NCCO 34a_100000745710_100000211926 [1,1,0,0,0,0|1,0,1]=4 177 B15R1.5732 CC(=O)C(Cc1cccc(c1)Cl)C(=O)C 1458a_100000070787_200009990483 [0,1,0,0,1,0|2,0,0]=4 178 B15R1.5732 O=C(O)C(=Cc1cccc(c1)Br)C(=O)O 6a_100000210085_100000189509 [0,1,0,0,1,0|0,0,2]=4 179 B15R1.5732 O=C(O)C(=Cc1cccc(c1)F)C(=O)O 6a_100000210812_100000189509 [0,1,0,0,1,0|0,0,2]=4 180 B15R1.5732 O=C(O)C(=Cc1cccc(c1)I)C(=O)O 6a_100000014684_100000189509 [0,1,0,0,1,0|0,0,2]=4 181 B15R1.11335 CC(=O)C(Cc1ccc(cc1)Cl)C(=O)C 1458a_100000070787_200009990494 [0,1,0,0,1,0|2,0,0]=4 182 B15R1.11335 O=C(O)C(=Cc1ccc(cc1)Br)C(=O)O 6a_100000186029_100000189509 [0,1,0,0,1,0|0,0,2]=4 183 B15R1.11335 O=C(O)C(=Cc1ccc(cc1)F)C(=O)O 6a_100000210084_100000189509 [0,1,0,0,1,0|0,0,2]=4 184 B15R1.11335 O=C(O)C(=Cc1ccc(cc1)I)C(=O)O 6a_100000188517_100000189509 [0,1,0,0,1,0|0,0,2]=4 185 B15R1.3197 COC(=O)[C@H](NC(=O)C)c1ccccc1 188690a_100016988206_100015343762 [0,1,0,0,1,0|2,0,0]=4 186 B15R1.11817 COC(=O)CN(C(=O)C)c1ccccc1 11a_100000757779_100015343762 [0,1,0,0,1,0|2,0,0]=4 187 B15R1.11817 COC(=O)CN(C(=O)C)c1ccccc1 1626a_100000757779_100015343762 [0,1,0,0,1,0|2,0,0]=4 188 B15R1.11817 COC(=O)N[C@@H](C(=O)C)c1ccccc1 1458a_100011418172_200000210301 [0,1,0,0,1,0|2,0,0]=4 189 B15R1.11817 COC(=O)N[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100011418172_200025704644 [0,1,0,0,1,0|2,0,0]=4 190 B15R1.11817 NC(=O)[C@H](NC(=O)CO)c1ccccc1 240690a_100011423151_100000210174 [0,1,0,0,1,0|2,0,0]=4 191 B15R1.11817 NC(=O)[C@H](NC(=O)CO)c1ccccc1 527a_100011423151_100000210174 [0,1,0,0,1,0|2,0,0]=4 192 B17R1.4189 CC(=O)C(C)N(CC(=O)O)Cc1ccccc1 269956a_100000745947_100009814033 [0,1,0,0,0,1|2,0,0]=4 193 B17R1.4189 CC(C(=O)O)N(CC(=O)N)Cc1ccccc1 269956a_100000740634_100000187820 [0,1,0,0,0,1|2,0,0]=4 194 B17R1.4189 CC(C(=O)O)N(CC(=O)[O-])Cc1ccccc1 269956a_100000740634_100020667443 [0,1,0,0,0,1|1,0,1]=4 195 B17R1.7968 CCC(=O)CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000747405 [0,1,0,0,0,1|2,0,0]=4 196 B17R1.7968 CNC(=O)CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000183359 [0,1,0,0,0,1|2,0,0]=4 197 B17R1.7968 COC(=O)CN(CC(=O)N)Cc1ccccc1 2230a_100000219879_100000747473 [0,1,0,0,0,1|2,0,0]=4 198 B17R1.7968 COC(=O)CN(CC(=O)N)Cc1ccccc1 269982a_100000219879_100000187820 [0,1,0,0,0,1|2,0,0]=4 199 B17R1.7968 COC(=O)CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000747449 [0,1,0,0,0,1|1,0,0]=3 200 B17R1.7968 COC(=O)CN(CC(=O)[O-])Cc1ccccc1 269982a_100000219879_100020667443 [0,1,0,0,0,1|1,0,1]=4 201 B17R1.7968 COC(C)N[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_100009879195 [0,1,0,0,0,1|1,0,1]=4 202 B17R1.7968 C[C@H](CO)N[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_100016084084 [0,1,0,0,0,1|1,0,1]=4 203 B17R1.8289 NC(=O)CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_100000187820 [0,1,0,0,0,1|2,0,0]=4 204 B17R1.8289 O=C([O-])CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_100020667443 [0,1,0,0,0,1|1,0,1]=4 205 B17R1.8835 NC(=O)CN(CC(=O)O)Cc1cccc(c1)Br 269956a_114849113268_100000187820 [0,1,0,0,0,1|2,0,0]=4 206 B17R1.8835 O=C([O-])CN(CC(=O)O)Cc1cccc(c1)Br 269956a_114849113268_100020667443 [0,1,0,0,0,1|1,0,1]=4 207 B17R1.11258 Cc1ccccc1CN(CC(=O)N)CC(=O)O 269956a_200000743881_100000187820 [0,1,0,0,0,1|2,0,0]=4 208 B17R1.11258 Cc1ccccc1CN(CC(=O)[O-])CC(=O)O 269956a_200000743881_100020667443 [0,1,0,0,0,1|1,0,1]=4 209 B17R1.11258 NC(=O)CN(CC(=O)O)Cc1ccccc1Br 269956a_100000735713_100000187820 [0,1,0,0,0,1|2,0,0]=4 210 B17R1.11258 O=C([O-])CN(CC(=O)O)Cc1ccccc1Br 269956a_100000735713_100020667443 [0,1,0,0,0,1|1,0,1]=4 211 B17R1.16622 C[C@@H](c1ccccc1)N(CC(=O)N)CC(=O)O 269956a_100011939985_100000187820 [0,1,0,0,0,1|2,0,0]=4 212 B17R1.16622 C[C@@H](c1ccccc1)N(CC(=O)[O-])CC(=O)O 269956a_100011939985_100020667443 [0,1,0,0,0,1|1,0,1]=4 213 B17R1.7987 COC(=O)C(CCc1ccccc1)NC(=O)C 188690a_200020641770_100015343762 [0,1,0,0,0,1|2,0,0]=4 214 B17R1.7987 COC(=O)C(CSc1ccccc1)NC(=O)C 62a_100000719477_100000763271 [0,1,0,0,0,1|2,0,0]=4 215 B17R1.7987 COC(=O)C(CSc1ccccc1)NC(=O)C 62a_100000763271_100000041952 [0,1,0,0,0,1|2,0,0]=4 216 B17R1.8827 CS(=O)C[C@H](NCc1cccc(c1)Br)C(=O)O 269956a_100009817418_100000211773 [0,1,0,0,0,1|2,0,0]=4 217 B17R1.8827 CS(=O)C[C@H](NCc1cccc(c1)Cl)C(=O)O 269956a_100009817418_100000187163 [0,1,0,0,0,1|2,0,0]=4 218 B17R1.8827 CS(=O)C[C@H](NCc1cccc(c1)F)C(=O)O 269956a_100009817418_100000230114 [0,1,0,0,0,1|2,0,0]=4 219 B17R1.8827 CS(=O)C[C@H](NCc1cccc(c1)I)C(=O)O 269956a_100009817418_100011218688 [0,1,0,0,0,1|2,0,0]=4 220 B17R1.8827 CS(=O)C[C@H](NCc1cccc(c1)O)C(=O)O 269956a_100009817418_100011660834 [0,1,0,0,0,1|2,0,0]=4 221 B17R1.8827 Cc1cccc(c1)CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000211840 [0,1,0,0,0,1|2,0,0]=4 222 B17R1.8827 Cc1cccc(c1)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000005736 [0,1,0,0,0,1|2,0,0]=4 223 B17R1.8827 NC(=O)C[C@H](NCc1cccc(c1)Br)C(=O)N 2230a_100000143228_100000698116 [0,1,0,0,0,1|2,0,0]=4 224 B17R1.8827 NC(=O)C[C@H](NCc1cccc(c1)Cl)C(=O)N 2230a_100000143228_100000181238 [0,1,0,0,0,1|2,0,0]=4 225 B17R1.8827 NC(=O)C[C@H](NCc1cccc(c1)F)C(=O)N 2230a_100000143228_100000230114 [0,1,0,0,0,1|2,0,0]=4 226 B17R1.8827 NC(=O)C[C@H](NCc1cccc(c1)I)C(=O)N 2230a_100000143228_100011218688 [0,1,0,0,0,1|2,0,0]=4 227 B17R1.8827 NC(=O)C[C@H](NCc1cccc(c1)O)C(=O)N 2230a_100000143228_100011660834 [0,1,0,0,0,1|2,0,0]=4 228 B17R1.11273 CS(=O)C[C@H](NCc1ccccc1Br)C(=O)O 269956a_100009817418_100000184730 [0,1,0,0,0,1|2,0,0]=4 229 B17R1.11273 CS(=O)C[C@H](NCc1ccccc1Cl)C(=O)O 269956a_100009817418_100000187162 [0,1,0,0,0,1|2,0,0]=4 230 B17R1.11273 CS(=O)C[C@H](NCc1ccccc1F)C(=O)O 269956a_100009817418_100000187165 [0,1,0,0,0,1|2,0,0]=4 231 B17R1.11273 CS(=O)C[C@H](NCc1ccccc1I)C(=O)O 269956a_100009817418_100011216222 [0,1,0,0,0,1|2,0,0]=4 232 B17R1.11273 Cc1ccccc1CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000211839 [0,1,0,0,0,1|2,0,0]=4 233 B17R1.11273 Cc1ccccc1CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000211750 [0,1,0,0,0,1|2,0,0]=4 234 B17R1.11273 NC(=O)C[C@H](NCc1ccccc1Br)C(=O)N 2230a_100000143228_100000184730 [0,1,0,0,0,1|2,0,0]=4 235 B17R1.11273 NC(=O)C[C@H](NCc1ccccc1Cl)C(=O)N 2230a_100000143228_100000187162 [0,1,0,0,0,1|2,0,0]=4 236 B17R1.11273 NC(=O)C[C@H](NCc1ccccc1F)C(=O)N 2230a_100000143228_100000211605 [0,1,0,0,0,1|2,0,0]=4 237 B17R1.11273 NC(=O)C[C@H](NCc1ccccc1I)C(=O)N 2230a_100000143228_100011215278 [0,1,0,0,0,1|2,0,0]=4 238 B17R1.23553 CS(=O)C[C@H](NCc1ccc(cc1)Br)C(=O)O 269956a_100009817418_100011217064 [0,1,0,0,0,1|2,0,0]=4 239 B17R1.23553 CS(=O)C[C@H](NCc1ccc(cc1)Cl)C(=O)O 269956a_100009817418_100000187161 [0,1,0,0,0,1|2,0,0]=4 240 B17R1.23553 CS(=O)C[C@H](NCc1ccc(cc1)F)C(=O)O 269956a_100009817418_100000198546 [0,1,0,0,0,1|2,0,0]=4 241 B17R1.23553 CS(=O)C[C@H](NCc1ccc(cc1)I)C(=O)O 269956a_100009817418_100000189116 [0,1,0,0,0,1|2,0,0]=4 242 B17R1.23553 Cc1ccc(cc1)CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000210814 [0,1,0,0,0,1|2,0,0]=4 243 B17R1.23553 Cc1ccc(cc1)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210814 [0,1,0,0,0,1|2,0,0]=4 244 B17R1.23553 NC(=O)C[C@H](NCc1ccc(cc1)Br)C(=O)N 2230a_100000143228_100011217064 [0,1,0,0,0,1|2,0,0]=4 245 B17R1.23553 NC(=O)C[C@H](NCc1ccc(cc1)Cl)C(=O)N 2230a_100000143228_100000694040 [0,1,0,0,0,1|2,0,0]=4 246 B17R1.23553 NC(=O)C[C@H](NCc1ccc(cc1)F)C(=O)N 2230a_100000143228_100000198546 [0,1,0,0,0,1|2,0,0]=4 247 B17R1.23553 NC(=O)C[C@H](NCc1ccc(cc1)I)C(=O)N 2230a_100000143228_100000189116 [0,1,0,0,0,1|2,0,0]=4 248 B17R1.26184 CC(N[C@@H](CC(=O)N)C(=O)N)c1ccccc1 2230a_100000143228_100000230085 [0,1,0,0,0,1|2,0,0]=4 249 B17R1.26184 CC(N[C@@H](CS(=O)C)C(=O)O)c1ccccc1 269956a_100009817418_100000211855 [0,1,0,0,0,1|2,0,0]=4 250 B17R1.8831 C=C(C)CNC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_100000748629 [0,1,0,0,0,1|2,0,0]=4 251 B17R1.8831 C=C(C)CNC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_100000748629 [0,1,0,0,0,1|2,0,0]=4 252 B17R1.8831 C=C(F)CNC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_100000042424 [0,1,0,0,0,1|2,0,0]=4 253 B17R1.8831 C=C(F)CNC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_100000042424 [0,1,0,0,0,1|2,0,0]=4 254 B17R1.8831 CC(=O)C(Cc1cccc(c1)Cl)NCC(=O)O 269956a_100016091260_200009990483 [0,1,0,0,0,1|1,0,0]=3 255 B17R1.8831 CC(=O)C(Cc1cccc(c1)Cl)SCC(=O)N 62a_100000747473_200009990483 [0,1,0,0,0,1|2,0,0]=4 256 B17R1.8831 CC(=O)C(Cc1cccc(c1)Cl)SCC(=O)N 62a_200009990483_100000747473 [0,1,0,0,0,1|2,0,0]=4 257 B17R1.8831 CC(=O)C(Cc1cccc(c1)Cl)SCC(=O)[O-] 62a_100020667443_200009990483 [0,1,0,0,0,1|1,0,1]=4 258 B17R1.8831 CC(=O)C(Cc1cccc(c1)Cl)SCC(=O)[O-] 62a_200009990483_100020667443 [0,1,0,0,0,1|1,0,1]=4 259 B17R1.8831 CC(=O)COC(Cc1cccc(c1)Cl)C(=O)C 34a_100000211253_200009990483 [0,1,0,0,0,1|2,0,0]=4 260 B17R1.8831 CC(O)CNC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_100011218427 [0,1,0,0,0,1|1,0,1]=4 261 B17R1.8831 CC(O)CNC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_100011218427 [0,1,0,0,0,1|1,0,1]=4 262 B17R1.8831 C[C@@H](O)CNC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_100009817552 [0,1,0,0,0,1|1,0,1]=4 263 B17R1.8831 C[C@@H](O)CNC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_100009817552 [0,1,0,0,0,1|1,0,1]=4 264 B17R1.8831 NC(=O)CNC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_100000187820 [0,1,0,0,0,1|1,0,0]=3 265 B17R1.8831 NC(=O)CNC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_100000187820 [0,1,0,0,0,1|1,0,0]=3 266 B17R1.8831 O=C(O)C(Cc1cccc(c1)Cl)NC[N+](=O)[O-] 269956a_100000685206_100000761209 [0,1,0,0,0,1|1,0,1]=4 267 B17R1.8831 O=C(O)C(Cc1cccc(c1)F)NC[N+](=O)[O-] 269956a_100102707141_100000761209 [0,1,0,0,0,1|1,0,1]=4 268 B17R1.8831 O=C([O-])CNC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_100020667443 [0,1,0,0,0,1|0,0,1]=3 269 B17R1.8831 O=C([O-])CNC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_100020667443 [0,1,0,0,0,1|0,0,1]=3 270 B17R1.8997 C=C(C)CNC(Cc1ccccc1Cl)C(=O)O 269956a_100020589136_100000748629 [0,1,0,0,0,1|2,0,0]=4 271 B17R1.8997 C=C(F)CNC(Cc1ccccc1Cl)C(=O)O 269956a_100020589136_100000042424 [0,1,0,0,0,1|2,0,0]=4 272 B17R1.8997 CC(O)CNC(Cc1ccccc1Cl)C(=O)O 269956a_100020589136_100011218427 [0,1,0,0,0,1|1,0,1]=4 273 B17R1.8997 C[C@@H](O)CNC(Cc1ccccc1Cl)C(=O)O 269956a_100020589136_100009817552 [0,1,0,0,0,1|1,0,1]=4 274 B17R1.8997 NC(=O)CNC(Cc1ccccc1Cl)C(=O)O 269956a_100020589136_100000187820 [0,1,0,0,0,1|1,0,0]=3 275 B17R1.8997 O=C(O)C(Cc1ccccc1Cl)NC[N+](=O)[O-] 269956a_100020589136_100000761209 [0,1,0,0,0,1|1,0,1]=4 276 B17R1.8997 O=C([O-])CNC(Cc1ccccc1Cl)C(=O)O 269956a_100020589136_100020667443 [0,1,0,0,0,1|0,0,1]=3 277 B17R1.23536 CC(=O)C(Cc1ccc(cc1)Cl)NCC(=O)O 269956a_100016091260_200009990494 [0,1,0,0,0,1|1,0,0]=3 278 B17R1.23536 CC(=O)C(Cc1ccc(cc1)Cl)SCC(=O)N 62a_100000747473_200009990494 [0,1,0,0,0,1|2,0,0]=4 279 B17R1.23536 CC(=O)C(Cc1ccc(cc1)Cl)SCC(=O)N 62a_200009990494_100000747473 [0,1,0,0,0,1|2,0,0]=4 280 B17R1.23536 CC(=O)C(Cc1ccc(cc1)Cl)SCC(=O)[O-] 62a_100020667443_200009990494 [0,1,0,0,0,1|1,0,1]=4 281 B17R1.23536 CC(=O)C(Cc1ccc(cc1)Cl)SCC(=O)[O-] 62a_200009990494_100020667443 [0,1,0,0,0,1|1,0,1]=4 282 B17R1.23536 CC(=O)COC(Cc1ccc(cc1)Cl)C(=O)C 34a_100000211253_200009990494 [0,1,0,0,0,1|2,0,0]=4 283 B17R1.23536 NC(=O)CN[C@@H](Cc1ccc(cc1)O)C(=O)N 2230a_100011423149_100000747473 [0,1,0,0,0,1|2,0,0]=4 284 B17R1.23536 NC(=O)CN[C@@H](Cc1ccc(cc1)O)C(=O)N 34a_100011423149_100000187820 [0,1,0,0,0,1|2,0,0]=4 285 B17R1.23536 NC(=O)[C@H](Cc1ccc(cc1)O)NCC(=O)[O-] 34a_100011423149_100020667443 [0,1,0,0,0,1|1,0,1]=4 286 B17R1.23844 C=C(C)COC(Cc1ccccc1)C(=O)OC 34a_100000210245_100000764117 [0,1,0,0,0,1|2,0,0]=4 287 B17R1.23844 C=C(C)CO[C@H](Cc1ccccc1)C(=O)OC 34a_100009819611_100000748629 [0,1,0,0,0,1|2,0,0]=4 288 B17R1.23844 C=C(C)CO[C@H](Cc1ccccc1)C(=O)OC 7a_100009819611_100000748629 [0,1,0,0,0,1|2,0,0]=4 289 B17R1.23844 C=C(C)CSC(Cc1ccccc1)C(=O)OC 62a_100000748629_100000764117 [0,1,0,0,0,1|2,0,0]=4 290 B17R1.23844 C=C(C)CSC(Cc1ccccc1)C(=O)OC 62a_100000764117_100000211660 [0,1,0,0,0,1|2,0,0]=4 291 B17R1.23844 C=C(F)COC(Cc1ccccc1)C(=O)OC 34a_200010262243_100000764117 [0,1,0,0,0,1|2,0,0]=4 292 B17R1.23844 C=C(F)CO[C@H](Cc1ccccc1)C(=O)OC 34a_100009819611_100009893438 [0,1,0,0,0,1|2,0,0]=4 293 B17R1.23844 C=C(F)CO[C@H](Cc1ccccc1)C(=O)OC 7a_100009819611_100000042424 [0,1,0,0,0,1|2,0,0]=4 294 B17R1.23844 C=C(F)CSC(Cc1ccccc1)C(=O)OC 62a_100000042424_100000764117 [0,1,0,0,0,1|2,0,0]=4 295 B17R1.23844 C=C(F)CSC(Cc1ccccc1)C(=O)OC 62a_100000764117_100000042424 [0,1,0,0,0,1|2,0,0]=4 296 B17R1.23844 CC(=O)SCC(Cc1ccccc1)C(=O)CF 1458a_100000066118_100015361967 [0,1,0,0,0,1|2,0,0]=4 297 B17R1.23844 CCC(=O)C(CSC(=O)C)Cc1ccccc1 1458a_100000066118_100000210202 [0,1,0,0,0,1|2,0,0]=4 298 B17R1.23844 CNC(=O)C(CSC(=O)C)Cc1ccccc1 11a_106832991635_100000066118 [0,1,0,0,0,1|2,0,0]=4 299 B17R1.23844 CNC(=O)C(CSC(=O)C)Cc1ccccc1 1626a_100102657272_100000066118 [0,1,0,0,0,1|2,0,0]=4 300 B17R1.23844 CNC(=O)C(CSC(=O)C)Cc1ccccc1 240690a_100102657272_100000066118 [0,1,0,0,0,1|2,0,0]=4 301 B17R1.23844 CNC(=O)C(CSC(=O)C)Cc1ccccc1 527a_100102657272_100000066118 [0,1,0,0,0,1|2,0,0]=4 302 B17R1.23844 CNC(=O)C(Cc1ccccc1)NCC(=O)N 2230a_100000719550_100000747473 [0,1,0,0,0,1|2,0,0]=4 303 B17R1.23844 CNC(=O)C(Cc1ccccc1)NCC(=O)N 34a_100000719550_100000187820 [0,1,0,0,0,1|2,0,0]=4 304 B17R1.23844 CNC(=O)C(Cc1ccccc1)NCC(=O)[O-] 34a_100000719550_100020667443 [0,1,0,0,0,1|1,0,1]=4 305 B17R1.23844 COC(=O)C(CNC(=O)C)Cc1ccccc1 188690a_100020620866_100015343762 [0,1,0,0,0,1|1,0,0]=3 306 B17R1.23844 COC(=O)C(Cc1ccccc1)NCC(=O)O 269956a_100016091260_100000764117 [0,1,0,0,0,1|0,0,0]=2 307 B17R1.23844 COC(=O)C(Cc1ccccc1)NCC(C)O 34a_100000210904_100000764117 [0,1,0,0,0,1|1,0,1]=4 308 B17R1.23844 COC(=O)C(Cc1ccccc1)OCC(=O)C 34a_100000211253_100000764117 [0,1,0,0,0,1|1,0,0]=3 309 B17R1.23844 COC(=O)C(Cc1ccccc1)SCC(=O)N 62a_100000747473_100000764117 [0,1,0,0,0,1|1,0,0]=3 310 B17R1.23844 COC(=O)C(Cc1ccccc1)SCC(=O)N 62a_100000764117_100000747473 [0,1,0,0,0,1|1,0,0]=3 311 B17R1.23844 COC(=O)C(Cc1ccccc1)SCC(=O)[O-] 62a_100000764117_100020667443 [0,1,0,0,0,1|0,0,1]=3 312 B17R1.23844 COC(=O)C(Cc1ccccc1)SCC(=O)[O-] 62a_100020667443_100000764117 [0,1,0,0,0,1|0,0,1]=3 313 B17R1.23844 COC(=O)C(Cc1ccccc1)SCC(C)O 62a_100000764117_100011218427 [0,1,0,0,0,1|1,0,1]=4 314 B17R1.23844 COC(=O)C(Cc1ccccc1)SCC(C)O 62a_100011218427_100000764117 [0,1,0,0,0,1|1,0,1]=4 315 B17R1.23844 COC(=O)C(Cc1ccccc1)SC[C@@H](C)O 62a_100000764117_100009817552 [0,1,0,0,0,1|1,0,1]=4 316 B17R1.23844 COC(=O)C(Cc1ccccc1)SC[C@@H](C)O 62a_100009817552_100000764117 [0,1,0,0,0,1|1,0,1]=4 317 B17R1.23844 COC(=O)C(Cc1ccccc1)SC[N+](=O)[O-] 62a_100000764117_100000761209 [0,1,0,0,0,1|1,0,1]=4 318 B17R1.23844 COC(=O)[C@@H](Cc1ccccc1)OCC(=O)N 34a_100009819611_100000187820 [0,1,0,0,0,1|1,0,0]=3 319 B17R1.23844 COC(=O)[C@@H](Cc1ccccc1)OCC(=O)N 7a_100009819611_100000187820 [0,1,0,0,0,1|1,0,0]=3 320 B17R1.23844 COC(=O)[C@@H](Cc1ccccc1)OCC(=O)[O-] 34a_100009819611_100020667443 [0,1,0,0,0,1|0,0,1]=3 321 B17R1.23844 COC(=O)[C@@H](Cc1ccccc1)OCC(C)O 34a_100009819611_100011218427 [0,1,0,0,0,1|1,0,1]=4 322 B17R1.23844 COC(=O)[C@@H](Cc1ccccc1)OCC(C)O 7a_100009819611_100011218427 [0,1,0,0,0,1|1,0,1]=4 323 B17R1.23844 COC(=O)[C@@H](Cc1ccccc1)OC[C@@H](C)O 34a_100009819611_100009817552 [0,1,0,0,0,1|1,0,1]=4 324 B17R1.23844 COC(=O)[C@@H](Cc1ccccc1)OC[C@@H](C)O 7a_100009819611_100009817552 [0,1,0,0,0,1|1,0,1]=4 325 B17R1.23844 COC(=O)[C@@H](Cc1ccccc1)OC[N+](=O)[O-] 34a_100009819611_100000761209 [0,1,0,0,0,1|1,0,1]=4 326 B17R1.23844 NC(=O)CCN(Cc1ccccc1)C(=O)CO 240690a_100000177509_100000210174 [0,1,0,0,0,1|2,0,0]=4 327 B17R1.23844 NC(=O)CCN(Cc1ccccc1)C(=O)CO 527a_100000177509_100000210174 [0,1,0,0,0,1|2,0,0]=4 328 B17R1.24106 CNC(=O)CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000183359 [0,1,0,0,0,1|2,0,0]=4 329 B17R1.24106 CNC(=O)CNC(Cc1ccccc1)C(=O)N 34a_100000745710_100000183359 [0,1,0,0,0,1|2,0,0]=4 330 B17R1.24106 COC(=O)CCN(Cc1ccccc1)C(=O)C 11a_100000177508_100015343762 [0,1,0,0,0,1|2,0,0]=4 331 B17R1.24106 COC(=O)CCN(Cc1ccccc1)C(=O)C 1626a_100000177508_100015343762 [0,1,0,0,0,1|2,0,0]=4 332 B17R1.24106 COC(=O)CCN(Cc1ccccc1)C(=O)C 240690a_100000177508_100015343762 [0,1,0,0,0,1|2,0,0]=4 333 B17R1.24106 COC(=O)CCN(Cc1ccccc1)C(=O)C 527a_100000177508_100103153847 [0,1,0,0,0,1|2,0,0]=4 334 B17R1.24106 COC(=O)CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000747449 [0,1,0,0,0,1|1,0,0]=3 335 B17R1.24106 COC(=O)CNC(Cc1ccccc1)C(=O)N 34a_100000745710_100000747449 [0,1,0,0,0,1|1,0,0]=3 336 B17R1.26409 C=C(C)CNC(C(=O)O)C(C)c1ccccc1 269956a_100011215410_100000748629 [0,1,0,0,0,1|2,0,0]=4 337 B17R1.26409 C=C(F)CNC(C(=O)O)C(C)c1ccccc1 269956a_100011215410_100000042424 [0,1,0,0,0,1|2,0,0]=4 338 B17R1.26409 CC(O)CNC(C(=O)O)C(C)c1ccccc1 269956a_100011215410_100011218427 [0,1,0,0,0,1|1,0,1]=4 339 B17R1.26409 CC(c1ccccc1)C(NCC(=O)N)C(=O)O 269956a_100011215410_100000187820 [0,1,0,0,0,1|1,0,0]=3 340 B17R1.26409 CC(c1ccccc1)C(NCC(=O)[O-])C(=O)O 269956a_100011215410_100020667443 [0,1,0,0,0,1|0,0,1]=3 341 B17R1.26409 CC(c1ccccc1)C(NC[C@@H](C)O)C(=O)O 269956a_100011215410_100009817552 [0,1,0,0,0,1|1,0,1]=4 342 B17R1.26409 CC(c1ccccc1)C(NC[N+](=O)[O-])C(=O)O 269956a_100011215410_100000761209 [0,1,0,0,0,1|1,0,1]=4 343 B17R1.36429 CC(=O)C(C)NC(Cc1ccccc1)C(=O)N 2230a_100000745710_100009814033 [0,1,0,0,0,1|2,0,0]=4 344 B17R1.36429 CC(NC(Cc1ccccc1)C(=O)N)C(=O)N 2230a_100000745710_100000702099 [0,1,0,0,0,1|2,0,0]=4 345 B17R1.36429 CC(NC(Cc1ccccc1)C(=O)N)C(=O)N 34a_100000745710_100000702099 [0,1,0,0,0,1|2,0,0]=4 346 B17R1.36429 NC(=O)C(Cc1ccccc1)NC(F)C(=O)[O-] 34a_100000745710_100020610796 [0,1,0,0,0,1|1,0,1]=4 347 B17R1.36429 NC(=O)C(F)NC(Cc1ccccc1)C(=O)N 2230a_100000745710_100009813875 [0,1,0,0,0,1|2,0,0]=4 348 B17R1.36429 NC(=O)C(F)NC(Cc1ccccc1)C(=O)N 34a_100000745710_100009813875 [0,1,0,0,0,1|2,0,0]=4 349 B17R1.412630 C=C(C)CNC(C)(Cc1ccccc1)C(=O)O 269956a_100025773586_100000748629 [0,1,0,0,0,1|2,0,0]=4 350 B17R1.412630 C=C(F)CNC(C)(Cc1ccccc1)C(=O)O 269956a_100025773586_100000042424 [0,1,0,0,0,1|2,0,0]=4 351 B17R1.412630 CC(Cc1ccccc1)(NCC(=O)N)C(=O)O 269956a_100025773586_100000187820 [0,1,0,0,0,1|1,0,0]=3 352 B17R1.412630 CC(Cc1ccccc1)(NCC(=O)[O-])C(=O)O 269956a_100025773586_100020667443 [0,1,0,0,0,1|0,0,1]=3 353 B17R1.412630 CC(Cc1ccccc1)(NC[N+](=O)[O-])C(=O)O 269956a_100025773586_100000761209 [0,1,0,0,0,1|1,0,1]=4 354 B17R1.412630 CC(O)CNC(C)(Cc1ccccc1)C(=O)O 269956a_100025773586_100011218427 [0,1,0,0,0,1|1,0,1]=4 355 B17R1.412630 C[C@@H](O)CNC(C)(Cc1ccccc1)C(=O)O 269956a_100025773586_100009817552 [0,1,0,0,0,1|1,0,1]=4 356 B17R1.6931 COC(=O)C(Cc1cccc(c1)Br)NC(=O)C 188690a_100102946621_100015343762 [0,2,0,0,0,0|2,0,0]=4 357 B17R1.6931 COC(=O)C(Cc1cccc(c1)F)NC(=O)C 188690a_100102836865_100015343762 [0,2,0,0,0,0|2,0,0]=4 358 B17R1.6931 COC(=O)[C@H](Cc1cccc(c1)O)NC(=O)C 188690a_100016991376_100015343762 [0,2,0,0,0,0|2,0,0]=4 359 B17R1.6937 COC(=O)[C@H](Cc1ccccc1F)NC(=O)C 188690a_200134617282_100015343762 [0,2,0,0,0,0|2,0,0]=4 360 B17R1.6938 COC(=O)[C@H](Cc1ccccc1)N(C)C(=O)C 11a_100000743191_100015343762 [0,2,0,0,0,0|2,0,0]=4 361 B17R1.6938 COC(=O)[C@H](Cc1ccccc1)N(C)C(=O)C 1626a_100000743191_100015343762 [0,2,0,0,0,0|2,0,0]=4 362 B17R1.6938 COC(=O)[C@H](Cc1ccccc1)N(C)C(=O)C 240690a_100000743191_100015343762 [0,2,0,0,0,0|2,0,0]=4 363 B17R1.6938 COC(=O)[C@H](Cc1ccccc1)N(C)C(=O)C 527a_100000743191_100103153847 [0,2,0,0,0,0|2,0,0]=4 364 B17R1.7966 C=CC(=O)N(CC(=O)OC)Cc1ccccc1 1626a_100000219879_100000185746 [0,2,0,0,0,0|2,0,0]=4 365 B17R1.7966 C=CC(=O)N(CC(=O)OC)Cc1ccccc1 240690a_100000219879_200121576911 [0,2,0,0,0,0|2,0,0]=4 366 B17R1.7966 CCC(=O)C[C@@H](Cc1ccccc1)C(=O)OC 1458a_100000010559_100000210202 [0,2,0,0,0,0|1,0,0]=3 367 B17R1.7966 CCC(=O)N(CC(=O)OC)Cc1ccccc1 11a_100000219879_100000210414 [0,2,0,0,0,0|2,0,0]=4 368 B17R1.7966 CCC(=O)N(CC(=O)OC)Cc1ccccc1 1626a_100000219879_100000210414 [0,2,0,0,0,0|2,0,0]=4 369 B17R1.7966 CCC(=O)N(CC(=O)OC)Cc1ccccc1 240690a_100000219879_100000210414 [0,2,0,0,0,0|2,0,0]=4 370 B17R1.7966 CCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC 188690a_100000009509_100000210414 [0,2,0,0,0,0|2,0,0]=4 371 B17R1.7966 CCC(=O)[C@@H](Cc1ccccc1)NC(=O)OC 1458a_100012355454_100000210202 [0,2,0,0,0,0|2,0,0]=4 372 B17R1.7966 CNC(=O)C(Cc1ccccc1)NC(=O)CO 240690a_100000719550_100000210174 [0,2,0,0,0,0|2,0,0]=4 373 B17R1.7966 CNC(=O)C(Cc1ccccc1)NC(=O)CO 527a_100000719550_100000210174 [0,2,0,0,0,0|2,0,0]=4 374 B17R1.7966 CNC(=O)C[C@@H](Cc1ccccc1)C(=O)OC 11a_106832991635_100000010559 [0,2,0,0,0,0|1,0,0]=3 375 B17R1.7966 CNC(=O)C[C@@H](Cc1ccccc1)C(=O)OC 1626a_100102657272_100000010559 [0,2,0,0,0,0|1,0,0]=3 376 B17R1.7966 CNC(=O)C[C@@H](Cc1ccccc1)C(=O)OC 240690a_100102657272_100000010559 [0,2,0,0,0,0|1,0,0]=3 377 B17R1.7966 CNC(=O)C[C@@H](Cc1ccccc1)C(=O)OC 527a_100102657272_100000010559 [0,2,0,0,0,0|1,0,0]=3 378 B17R1.7966 CNC(=O)N(CC(=O)OC)Cc1ccccc1 273464a_100102657272_100000219879 [0,2,0,0,0,0|2,0,0]=4 379 B17R1.7966 CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC 11a_106832991635_100012355454 [0,2,0,0,0,0|2,0,0]=4 380 B17R1.7966 CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC 1626a_100102657272_100012355454 [0,2,0,0,0,0|2,0,0]=4 381 B17R1.7966 CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC 240690a_100102657272_100012355454 [0,2,0,0,0,0|2,0,0]=4 382 B17R1.7966 COC(=O)C(Cc1cccnc1)NC(=O)CO 188690a_100121595588_100000210174 [0,2,0,0,0,0|2,0,0]=4 383 B17R1.7966 COC(=O)CN(Cc1ccccc1)C(=O)CO 240690a_100000219879_100000210174 [0,2,0,0,0,0|1,0,0]=3 384 B17R1.7966 COC(=O)N[C@H](Cc1ccccc1)C(=O)CF 1458a_100012355454_100015361967 [0,2,0,0,0,0|2,0,0]=4 385 B17R1.7966 COC(=O)[C@@H](CC(=O)CF)Cc1ccccc1 1458a_100000010559_100015361967 [0,2,0,0,0,0|1,0,0]=3 386 B17R1.7966 COC(=O)[C@@H](Cc1ccccn1)NC(=O)CO 188690a_100020631003_100000210174 [0,2,0,0,0,0|2,0,0]=4 387 B17R1.7966 COC(=O)[C@H](Cc1ccccc1)NC(=O)CO 188690a_100000009509_100000210174 [0,2,0,0,0,0|1,0,0]=3 388 B17R1.18492 CC(=O)N[C@@H](Cc1ccccc1)C(=O)CCO 1458a_100011416797_100000211926 [0,2,0,0,0,0|2,0,0]=4 389 B17R1.18492 CC(=O)O[C@@H](Cc1ccccc1)C(=O)CCO 1458a_200015294773_100000211926 [0,2,0,0,0,0|2,0,0]=4 390 B17R1.18492 CCOC(=O)C(Cc1ccccc1)NC(=O)C 188690a_100000743785_100015343762 [0,2,0,0,0,0|2,0,0]=4 391 B17R1.23809 COC(=O)C(Cc1ccc(cc1)Cl)NC(=O)C 188690a_100016988313_100015343762 [0,2,0,0,0,0|2,0,0]=4 392 B17R1.23809 COC(=O)C(Cc1ccc(cc1)F)NC(=O)C 188690a_100000693178_100015343762 [0,2,0,0,0,0|2,0,0]=4 393 B17R1.23809 COC(=O)[C@@H](Cc1ccc(cc1)Br)NC(=O)C 188690a_100150708851_100015343762 [0,2,0,0,0,0|2,0,0]=4 394 B17R1.23809 COC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)C 188690a_100012184189_100015343762 [0,2,0,0,0,0|2,0,0]=4 395 B17R1.23809 COC(=O)[C@H](Cc1ccc(cc1)I)NC(=O)C 188690a_100032004906_100015343762 [0,2,0,0,0,0|2,0,0]=4 396 B17R1.140383 COC(=O)C(C)(Cc1ccccc1)NC(=O)C 188690a_100016993286_100015343762 [0,2,0,0,0,0|2,0,0]=4 397 B17R1.5389 CCOC(=O)CN(Cc1ccccc1)C(=O)C 11a_100000219878_100015343762 [0,2,0,0,0,0|2,0,0]=4 398 B17R1.5389 CCOC(=O)CN(Cc1ccccc1)C(=O)C 1626a_100000219878_100015343762 [0,2,0,0,0,0|2,0,0]=4 399 B17R1.5389 CCOC(=O)CN(Cc1ccccc1)C(=O)C 240690a_100000219878_100015343762 [0,2,0,0,0,0|2,0,0]=4 400 B17R1.5389 CCOC(=O)CN(Cc1ccccc1)C(=O)C 527a_100000219878_100103153847 [0,2,0,0,0,0|2,0,0]=4 401 B17R1.5389 CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)C 1458a_200003162488_200000210301 [0,2,0,0,0,0|2,0,0]=4 402 B17R1.5389 CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)[13CH3] 1458a_200003162488_200025704644 [0,2,0,0,0,0|2,0,0]=4 403 B17R1.5389 COCC(=O)NC(Cc1ccccc1)C(=O)C 34a_100138415774_100000008384 [0,2,0,0,0,0|2,0,0]=4 404 B17R1.5389 COCC(=O)NC(Cc1ccccc1)C(=O)N 11a_100000745710_100000210968 [0,2,0,0,0,0|2,0,0]=4 405 B17R1.5389 COCC(=O)NC(Cc1ccccc1)C(=O)N 1626a_100000745710_100000210968 [0,2,0,0,0,0|2,0,0]=4 406 B17R1.5389 COCC(=O)NC(Cc1ccccc1)C(=O)N 240690a_100000745710_100000210968 [0,2,0,0,0,0|2,0,0]=4 407 B17R1.5389 COCC(=O)NC(Cc1ccccc1)C(=O)N 527a_100000745710_100000210968 [0,2,0,0,0,0|2,0,0]=4 408 B17R1.5389 NC(=O)C(Cc1ccccc1)NC(=O)CCO 240690a_100000745710_100011216618 [0,2,0,0,0,0|2,0,0]=4 409 B17R1.7954 NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CO 240690a_100011423149_100000210174 [0,2,0,0,0,0|2,0,0]=4 410 B17R1.24974 COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)C 11a_100000728468_100015343762 [0,2,0,0,0,0|2,0,0]=4 411 B17R1.24974 COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)C 1626a_100000728468_100015343762 [0,2,0,0,0,0|2,0,0]=4 412 B17R1.24974 COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)C 240690a_100000728468_100015343762 [0,2,0,0,0,0|2,0,0]=4 413 B15R2.629 CC(=O)CN1Cc2ccccc2C1=O 1458a_100000752569_200000210301 [1,0,0,1,0,0|2,0,0]=4 414 B15R2.629 [13CH3]C(=O)CN1Cc2ccccc2C1=O 1458a_100000752569_200025704644 [1,0,0,1,0,0|2,0,0]=4 415 B15R2.355 O=C1COC(=O)C1Nc2ccccc2 34a_100000106764_100000032967 [0,0,0,1,1,0|2,0,0]=4 416 B15R2.355 O=C1COC(=O)C1Oc2ccccc2 34a_100000210340_100000032967 [0,0,0,1,1,0|2,0,0]=4 417 B15R2.355 O=C1COC(=O)C1Sc2ccccc2 62a_100000719477_100000032967 [0,0,0,1,1,0|2,0,0]=4 418 B15R2.993 CC(=O)Cn1c(=O)oc2c1cccc2 1458a_100000184755_200000210301 [0,0,0,1,1,0|2,0,0]=4 419 B15R2.993 [13CH3]C(=O)Cn1c(=O)oc2c1cccc2 1458a_100000184755_200025704644 [0,0,0,1,1,0|2,0,0]=4 420 B17R2.5366 CC(=O)N1CC(=O)OC[C@@H]1c2ccccc2 11a_100000005368_100015343762 [0,1,0,1,0,0|2,0,0]=4 421 B17R2.5366 CC(=O)N1CC(=O)OC[C@@H]1c2ccccc2 1626a_100000005368_100015343762 [0,1,0,1,0,0|2,0,0]=4 422 B17R2.5366 CC(=O)N1CC(=O)OC[C@@H]1c2ccccc2 240690a_100000005368_100015343762 [0,1,0,1,0,0|2,0,0]=4 423 B17R2.5366 CC(=O)N1CC(=O)OC[C@@H]1c2ccccc2 527a_100000005368_100103153847 [0,1,0,1,0,0|2,0,0]=4 424 B13R1.713 CC(=O)CC(CO)c1ccccc1 1458a_106726389045_200000210301 [1,0,0,0,1,0|1,0,1]=4 425 B13R1.713 CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200000210301 [1,0,0,0,1,0|2,0,0]=4 426 B13R1.713 [13CH3]C(=O)CC(CO)c1ccccc1 1458a_106726389045_200025704644 [1,0,0,0,1,0|1,0,1]=4 427 B13R1.713 [13CH3]N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200025704644 [1,0,0,0,1,0|2,0,0]=4 428 B13R1.405 CNCC(C(=O)O)c1ccccc1 269956a_100000722792_200000210301 [1,0,0,0,1,0|2,0,0]=4 429 B13R1.405 [13CH3]NCC(C(=O)O)c1ccccc1 269956a_100000722792_200025704644 [1,0,0,0,1,0|2,0,0]=4 430 B13R1.1111 CC(=O)C(C(=O)C)c1ccccc1 1458a_100000070787_100009888967 [0,0,0,0,2,0|2,0,0]=4 431 B13R1.1111 CC(=O)C(C(=O)N)c1ccccc1 1458a_100000070787_100000188848 [0,0,0,0,2,0|2,0,0]=4 432 B15R1.4008 CC(=O)NCC(CO)Cc1ccccc1 240690a_100160572655_100015343762 [1,0,0,0,0,1|1,0,1]=4 433 B15R1.4008 CC(=O)NCC(CO)Cc1ccccc1 527a_100160572655_100103153847 [1,0,0,0,0,1|1,0,1]=4 434 B15R1.4008 N#CC(Cc1ccccc1)NCC(=O)O 269956a_100016091260_100000183401 [1,0,0,0,0,1|1,0,1]=4 435 B15R1.4008 NC(=O)CNC(CO)Cc1ccccc1 2230a_100000739027_100000747473 [1,0,0,0,0,1|1,0,1]=4 436 B15R1.5336 CC[C@H](CC(=O)O)NCc1ccccc1 269956a_100016995926_100015291786 [1,0,0,0,0,1|1,0,1]=4 437 B15R1.5336 O=C(O)C[C@@H](CO)NCc1ccccc1 269956a_100009816507_100015291786 [1,0,0,0,0,1|0,0,1]=3 438 B15R1.5336 O=C(O)C[C@@H](CO)NCc1ccccn1 269956a_100009816507_100000721315 [1,0,0,0,0,1|1,0,1]=4 439 B15R1.5336 O=C(O)C[C@@H](CO)NCc1cccnc1 269956a_100009816507_100000733263 [1,0,0,0,0,1|1,0,1]=4 440 B15R1.5336 O=C(O)C[C@@H](CO)NCc1ccncc1 269956a_100009816507_100015193705 [1,0,0,0,0,1|1,0,1]=4 441 B15R1.3984 CCC[C@H](NCc1ccccc1)C(=O)O 269956a_100000750406_100015291786 [1,0,0,0,0,1|1,0,1]=4 442 B15R1.3984 COC[C@@H](NCc1ccccc1)C(=O)O 269956a_100011998655_100015291786 [1,0,0,0,0,1|2,0,0]=4 443 B15R1.3984 CSC[C@H](NCc1ccccc1)C(=O)O 269956a_100011421858_100015291786 [1,0,0,0,0,1|2,0,0]=4 444 B15R1.3984 C[Se]C[C@H](NCc1ccccc1)C(=O)O 269956a_100015254316_100015291786 [1,0,0,0,0,1|2,0,0]=4 445 B15R1.3569 CC(=O)C(SCc1ccccc1)C(=O)C 62a_100000210371_100015291786 [0,0,0,0,1,1|2,0,0]=4 446 B15R1.3569 CC(=O)C(SCc1ccccc1)C(=O)C 62a_100000211182_100000210371 [0,0,0,0,1,1|2,0,0]=4 447 B15R1.3569 CC(O)C(NCc1ccccc1)C(=O)O 269956a_100000185852_100015291786 [0,0,0,0,1,1|1,0,1]=4 448 B15R1.3569 NC(=O)C(NCc1ccccc1)C(=O)N 2230a_100000025885_100015291786 [0,0,0,0,1,1|2,0,0]=4 449 B15R1.3569 NC(=O)C(NCc1ccccc1)C(=O)N 270004a_100000025885_100015611070 [0,0,0,0,1,1|2,0,0]=4 450 B15R1.9083 CC(=O)CC(NC(=O)C)c1ccccc1 1458a_100000182824_200000210301 [0,0,0,0,1,1|2,0,0]=4 451 B15R1.9083 CC(=O)CC(NC(=O)N)c1ccccc1 1458a_100000238291_200000210301 [0,0,0,0,1,1|2,0,0]=4 452 B15R1.9083 CC(=O)NC(CC(=O)[13CH3])c1ccccc1 1458a_100000182824_200025704644 [0,0,0,0,1,1|2,0,0]=4 453 B15R1.9083 NC(=O)CN(CC(=O)O)c1ccccc1 269956a_100000212060_100000187820 [0,0,0,0,1,1|2,0,0]=4 454 B15R1.9083 O=C([O-])CN(CC(=O)O)c1ccccc1 269956a_100000212060_100020667443 [0,0,0,0,1,1|1,0,1]=4 455 B15R1.9083 [13CH3]C(=O)CC(NC(=O)N)c1ccccc1 1458a_100000238291_200025704644 [0,0,0,0,1,1|2,0,0]=4 456 B15R1.12293 C=C(C)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000748629 [0,0,0,0,1,1|2,0,0]=4 457 B15R1.12293 C=C(F)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000042424 [0,0,0,0,1,1|2,0,0]=4 458 B15R1.12293 CC(=O)C(NCC(=O)N)c1ccccc1 2230a_100000711301_100009888967 [0,0,0,0,1,1|2,0,0]=4 459 B15R1.12293 CC(=O)C(NCC(=O)O)c1ccccc1 269956a_100016091260_100009888967 [0,0,0,0,1,1|1,0,0]=3 460 B15R1.12293 CC(=O)C(SCC(=O)N)c1ccccc1 62a_100000747473_100009888967 [0,0,0,0,1,1|2,0,0]=4 461 B15R1.12293 CC(=O)C(SCC(=O)N)c1ccccc1 62a_100009888967_100000747473 [0,0,0,0,1,1|2,0,0]=4 462 B15R1.12293 CC(=O)C(SCC(=O)[O-])c1ccccc1 62a_100009888967_100020667443 [0,0,0,0,1,1|1,0,1]=4 463 B15R1.12293 CC(=O)C(SCC(=O)[O-])c1ccccc1 62a_100020667443_100009888967 [0,0,0,0,1,1|1,0,1]=4 464 B15R1.12293 CC(=O)OCC(C(=O)C)c1ccccc1 1458a_200010206951_200000210301 [0,0,0,0,1,1|2,0,0]=4 465 B15R1.12293 CC(=O)OCC(C(=O)[13CH3])c1ccccc1 1458a_200010206951_200025704644 [0,0,0,0,1,1|2,0,0]=4 466 B15R1.12293 CC(O)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100011218427 [0,0,0,0,1,1|1,0,1]=4 467 B15R1.12293 C[C@@H](O)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100009817552 [0,0,0,0,1,1|1,0,1]=4 468 B15R1.12293 NC(=O)C(NCC(=O)O)c1ccccc1 269956a_100016091260_100000188848 [0,0,0,0,1,1|1,0,0]=3 469 B15R1.12293 NC(=O)C(OCC(=O)[O-])c1ccccc1 34a_100011200849_100020667443 [0,0,0,0,1,1|1,0,1]=4 470 B15R1.12293 NC(=O)C(SCC(=O)[O-])c1ccccc1 62a_100000188848_100020667443 [0,0,0,0,1,1|1,0,1]=4 471 B15R1.12293 NC(=O)C(SCC(=O)[O-])c1ccccc1 62a_100020667443_100000188848 [0,0,0,0,1,1|1,0,1]=4 472 B15R1.12293 NC(=O)CNC(C(=O)N)c1ccccc1 2230a_100000711301_100000188848 [0,0,0,0,1,1|2,0,0]=4 473 B15R1.12293 NC(=O)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000187820 [0,0,0,0,1,1|1,0,0]=3 474 B15R1.12293 NC(=O)CNC(C(=O)O)c1ccccn1 269956a_200016167988_100000187820 [0,0,0,0,1,1|2,0,0]=4 475 B15R1.12293 NC(=O)CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000747473 [0,0,0,0,1,1|2,0,0]=4 476 B15R1.12293 NC(=O)COC(C(=O)N)c1ccccc1 34a_100011200849_100000187820 [0,0,0,0,1,1|2,0,0]=4 477 B15R1.12293 NC(=O)COC(C(=O)N)c1ccccc1 7a_100011200849_100000187820 [0,0,0,0,1,1|2,0,0]=4 478 B15R1.12293 NC(=O)CSC(C(=O)N)c1ccccc1 62a_100000188848_100000747473 [0,0,0,0,1,1|2,0,0]=4 479 B15R1.12293 NC(=O)CSC(C(=O)N)c1ccccc1 62a_100000747473_100000188848 [0,0,0,0,1,1|2,0,0]=4 480 B15R1.12293 O=C(O)C(NC[N+](=O)[O-])c1ccccc1 269956a_100000230147_100000761209 [0,0,0,0,1,1|1,0,1]=4 481 B15R1.12293 O=C([O-])CNC(C(=O)O)c1ccccc1 269956a_100000230147_100020667443 [0,0,0,0,1,1|0,0,1]=3 482 B15R1.12293 O=C([O-])CNC(C(=O)O)c1ccccn1 269956a_200016167988_100020667443 [0,0,0,0,1,1|1,0,1]=4 483 B17R1.16250 C=C(C)CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_100000748629 [0,0,0,0,0,2|2,0,0]=4 484 B17R1.16250 C=C(F)CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_100000042424 [0,0,0,0,0,2|2,0,0]=4 485 B17R1.16250 CC(=O)CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000053229 [0,0,0,0,0,2|2,0,0]=4 486 B17R1.16250 CC(=O)OCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000076356 [0,0,0,0,0,2|2,0,0]=4 487 B17R1.16250 CC(O)CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_100011218427 [0,0,0,0,0,2|1,0,1]=4 488 B17R1.16250 C[C@@H](O)CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_100009817552 [0,0,0,0,0,2|1,0,1]=4 489 B17R1.16250 NC(=O)CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000744528 [0,0,0,0,0,2|2,0,0]=4 490 B17R1.16250 NC(=O)CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_100000187820 [0,0,0,0,0,2|1,0,0]=3 491 B17R1.16250 O=C(O)C[C@H](Cc1ccccc1)NC[N+](=O)[O-] 269956a_100000009519_100000761209 [0,0,0,0,0,2|1,0,1]=4 492 B17R1.16250 O=C([O-])CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_100020667443 [0,0,0,0,0,2|0,0,1]=3 493 B17R1.26150 C=C(C)CNC(CCc1ccccc1)C(=O)O 269956a_100000701298_100000748629 [0,0,0,0,0,2|2,0,0]=4 494 B17R1.26150 C=C(F)CNC(CCc1ccccc1)C(=O)O 269956a_100000701298_100000042424 [0,0,0,0,0,2|2,0,0]=4 495 B17R1.26150 CC(=CCC(NCc1ccccc1)C(=O)O)C 269956a_100102631519_100015291786 [0,0,0,0,0,2|2,0,0]=4 496 B17R1.26150 CC(O)CNC(CCc1ccccc1)C(=O)O 269956a_100000701298_100011218427 [0,0,0,0,0,2|1,0,1]=4 497 B17R1.26150 CS(=O)CC[C@H](NCc1ccccc1)C(=O)O 269956a_100015235763_100015291786 [0,0,0,0,0,2|2,0,0]=4 498 B17R1.26150 C[C@@H](O)CNC(CCc1ccccc1)C(=O)O 269956a_100000701298_100009817552 [0,0,0,0,0,2|1,0,1]=4 499 B17R1.26150 NC(=O)CC[C@H](NCc1ccccc1)C(=O)N 2230a_200000143477_100015291786 [0,0,0,0,0,2|2,0,0]=4 500 B17R1.26150 NC(=O)CC[C@H](NCc1ccccc1)C(=O)N 34a_200000143477_100015291786 [0,0,0,0,0,2|2,0,0]=4 501 B17R1.26150 NC(=O)CNC(CCc1ccccc1)C(=O)O 269956a_100000701298_100000187820 [0,0,0,0,0,2|1,0,0]=3 502 B17R1.26150 O=C(O)C(CCc1ccccc1)NC[N+](=O)[O-] 269956a_100000701298_100000761209 [0,0,0,0,0,2|1,0,1]=4 503 B17R1.26150 O=C([O-])CNC(CCc1ccccc1)C(=O)O 269956a_100000701298_100020667443 [0,0,0,0,0,2|0,0,1]=3 504 B17R1.149904 CS(=O)C[C@H](NCCc1ccccc1)C(=O)O 269956a_100009817418_100000765856 [0,0,0,0,0,2|2,0,0]=4 505 B17R1.149904 CS(=O)C[C@H](NCSc1ccccc1)C(=O)O 269956a_100009817418_100011218342 [0,0,0,0,0,2|2,0,0]=4 506 B17R1.149904 NC(=O)C[C@H](NCCc1ccccc1)C(=O)N 2230a_100000143228_100000765856 [0,0,0,0,0,2|2,0,0]=4 507 B17R1.149904 NC(=O)C[C@H](NCSc1ccccc1)C(=O)N 2230a_100000143228_100011218342 [0,0,0,0,0,2|2,0,0]=4 508 B17R1.16300 CC(=O)OCNC(Cc1ccccc1)C(=O)N 34a_100000745710_100009813279 [0,0,0,0,0,2|2,0,0]=4 509 B17R1.16300 NC(=O)CCNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000744528 [0,0,0,0,0,2|2,0,0]=4 510 B17R1.16300 NC(=O)CCNC(Cc1ccccc1)C(=O)N 34a_100000745710_100000731001 [0,0,0,0,0,2|2,0,0]=4