0 B13R1.45 CC(=O)OCC(=O)c1ccccc1 CSC000000662 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.45 CC(C)NCC(O)c1ccccc1 CSC000227977 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.45 CC(CNC(=O)C)c1ccccc1 CSC000154521 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.45 NC(=O)CNC(=O)c1ccccc1 CSC000162210 [0,0,0,0,0,0|2,0,2]=4 4 B13R1.45 NC(=O)NNC(=O)c1ccccc1 CSC011204174 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.252 CC(=O)CCSc1ccccc1 CSC000208507 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.252 CC(=O)CSCc1ccccc1 CSC000172147 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.252 CC(=O)NCCc1ccccc1 CSC000153396 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.252 CC(=O)OCCc1ccccc1 CSC000024547 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.252 NC(=O)CCCc1ccccc1 CSC011273634 [1,0,0,0,0,0|1,0,0]=2 10 B12R1.252 NC(=O)CSCc1ccccc1 CSC000149389 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.252 NC(=O)NCCc1ccccc1 CSC000238938 [1,0,0,0,0,0|1,0,0]=2 12 B12R1.252 NC(=O)NN=Cc1ccccc1 CSC000163793 [1,0,0,0,0,0|2,0,1]=4 13 B14R1.163 CCC(=O)NCC(O)c1ccccc1 CSC000192752 [0,1,0,0,0,0|2,0,0]=3 14 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl CSC000044975 [0,1,0,0,0,0|2,0,0]=3 15 B14R1.678 CC(=O)OCC(=O)c1ccc(cc1)Br CSC009811547 [0,1,0,0,0,0|1,0,2]=4 16 B14R1.813 CC(=O)NCC(C)(O)c1ccccc1 CSC000142701 [0,1,0,0,0,0|2,0,0]=3 17 B14R1.813 CC(C)(CNC(=O)N)c1ccccc1 CSC000048167 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.68 O=C1CCC(=NN1)c2ccccc2 CSC000005677 [0,0,0,1,0,0|2,0,1]=4 19 B12R1.107 CC(NC(=O)C)c1ccccc1 CSC000158019 [0,0,0,0,1,0|3,0,0]=4 20 B12R1.107 CC(OC(=O)C)c1ccccc1 CSC000000578 [0,0,0,0,1,0|2,0,0]=3 21 B12R1.107 C[C@@H](NC(=O)C)c1ccccc1 CSC011908465 [0,0,0,0,1,0|3,0,0]=4 22 B12R1.107 C[C@H](NC(=O)C)c1ccccc1 CSC011908453 [0,0,0,0,1,0|3,0,0]=4 23 B12R1.107 NC(=O)CS(=O)c1ccccc1 CSC000064346 [0,0,0,0,1,0|1,0,1]=3 24 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 CSC000177492 [0,0,0,0,0,1|3,0,0]=4 25 B13R1.149 CC(=O)OCCc1cccc(c1)C CSC009866697 [1,1,0,0,0,0|1,0,0]=3 26 B13R1.149 NC(=O)CSCc1cccc(c1)Cl CSC000162069 [1,1,0,0,0,0|2,0,0]=4 27 B13R1.158 Cc1ccccc1CSCC(=O)N CSC000148330 [1,1,0,0,0,0|2,0,0]=4 28 B13R1.158 NC(=O)CSCc1ccccc1Br CSC000148301 [1,1,0,0,0,0|2,0,0]=4 29 B13R1.158 NC(=O)CSCc1ccccc1Cl CSC000164481 [1,1,0,0,0,0|2,0,0]=4 30 B13R1.351 CC(CSc1ccccc1)C(=O)N CSC000071512 [1,1,0,0,0,0|2,0,0]=4 31 B13R1.351 CC(SCc1ccccc1)C(=O)N CSC000149388 [1,1,0,0,0,0|2,0,0]=4 32 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl CSC000151911 [1,1,0,0,0,0|2,0,0]=4 33 B13R1.513 CC(=O)NCCc1ccc(cc1)F CSC000152297 [1,1,0,0,0,0|2,0,0]=4 34 B13R1.513 CC(=O)NCCc1ccc(cc1)O CSC011395907 [1,1,0,0,0,0|2,0,0]=4 35 B13R1.513 CC(=O)OCCc1ccc(cc1)C CSC009829655 [1,1,0,0,0,0|1,0,0]=3 36 B13R1.513 CC(=O)OCCc1ccc(cc1)Cl CSC009851009 [1,1,0,0,0,0|1,0,0]=3 37 B13R1.513 CC(=O)OCCc1ccc(cc1)F CSC000071711 [1,1,0,0,0,0|1,0,0]=3 38 B13R1.513 Cc1ccc(cc1)SCCC(=O)N CSC000162367 [1,1,0,0,0,0|2,0,0]=4 39 B13R1.513 NC(=O)CSCc1ccc(cc1)F CSC000162057 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.513 NC(=O)NCCc1ccc(cc1)Cl CSC000238947 [1,1,0,0,0,0|1,0,0]=3 41 B13R1.718 CCC(=O)OCCc1ccccc1 CSC000024285 [1,1,0,0,0,0|1,0,0]=3 42 B13R1.718 CNC(=O)CCSc1ccccc1 CSC000159960 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.718 CNC(=O)CSCc1ccccc1 CSC000149384 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.718 CNC(=O)NCCc1ccccc1 CSC000235216 [1,1,0,0,0,0|1,0,0]=3 45 B13R1.718 COC(=O)CCCc1ccccc1 CSC011295115 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.718 COC(=O)NCCc1ccccc1 CSC000235985 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.718 NNC(=O)CCOc1ccccc1 CSC000189865 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.132 CC(NC(=O)N)c1ccc(cc1)Br CSC000238882 [0,1,0,0,1,0|2,0,0]=4 49 B13R1.713 CC(=O)N[C@@H](CO)c1ccccc1 CSC011995718 [0,1,0,0,1,0|2,0,0]=4 50 B15R1.500 CC(CNC(=O)C(=O)N)c1ccccc1 CSC046760821 [0,1,0,0,0,1|2,0,0]=4 51 B15R1.8019 CC(NCCC(=O)N)c1ccccc1C CSC000177175 [0,1,0,0,0,1|2,0,0]=4 52 B15R1.8273 CC(NCCC(=O)N)c1cccc(c1)Cl CSC000177131 [0,1,0,0,0,1|2,0,0]=4 53 B15R1.964 CC(CNC(=O)CN)Oc1ccccc1 CSC010364198 [0,1,0,0,0,1|2,0,0]=4 54 B15R1.964 CC(CNC(=O)CN)Sc1ccccc1 CSC057329094 [0,1,0,0,0,1|2,0,0]=4 55 B15R1.964 NCC(=O)NCC(O)Cc1ccccc1 CSC056856341 [0,1,0,0,0,1|1,0,0]=3 56 B15R1.133 CC(CNC(=O)CN)c1cccc(c1)C CSC049223427 [0,2,0,0,0,0|2,0,0]=4 57 B15R1.10019 COC(CNC(=O)C)c1ccccc1Cl CSC041535556 [0,2,0,0,0,0|2,0,0]=4 58 B15R1.89 CC(CNC(=O)CCN)c1ccccc1 CSC011437836 [0,2,0,0,0,0|2,0,0]=4 59 B15R1.89 CCNC(=O)NCC(N)c1ccccc1 CSC011811903 [0,2,0,0,0,0|2,0,0]=4 60 B15R1.89 CNCC(=O)NCC(C)c1ccccc1 CSC000213117 [0,2,0,0,0,0|2,0,0]=4 61 B15R1.132 CC(CNC(=O)CN)c1ccc(cc1)C CSC055522621 [0,2,0,0,0,0|2,0,0]=4 62 B15R1.132 CC(CNC(=O)CN)c1ccc(cc1)F CSC032735667 [0,2,0,0,0,0|2,0,0]=4 63 B15R1.947 CC(CN(C)C(=O)CN)c1ccccc1 CSC042610782 [0,2,0,0,0,0|2,0,0]=4 64 B15R1.950 CC(NC(=O)CN)C(C)c1ccccc1 CSC057648297 [0,2,0,0,0,0|2,0,0]=4 65 B15R1.1094 CC(C)(CNC(=O)CN)c1ccccc1 CSC011389780 [0,2,0,0,0,0|2,0,0]=4 66 B15R1.1097 CCC(CNC(=O)CN)c1ccccc1 CSC039877080 [0,2,0,0,0,0|2,0,0]=4 67 B15R1.1097 COC(CNC(=O)CN)c1ccccc1 CSC057569141 [0,2,0,0,0,0|1,0,0]=3 68 B15R1.12293 CC(=O)NCC(C(=O)O)c1ccccc1 CSC011767603 [0,2,0,0,0,0|2,0,0]=4 69 B13R2.72 CC(=O)N1CCc2c1cccc2 CSC000155365 [1,0,0,1,0,0|2,0,0]=4 70 B13R2.72 NC(=O)N1CCc2c1cccc2 CSC000238899 [1,0,0,1,0,0|1,0,0]=3 71 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [1,0,0,0,1,0|1,0,0]=3 72 B11R1.91 NC(=O)C#Cc1ccccc1 CSC000041776 [1,0,0,0,1,0|0,0,2]=4 73 B11R1.91 NC(=O)COc1ccccc1 CSC000150575 [1,0,0,0,1,0|1,0,0]=3 74 B11R1.91 NC(=O)CSc1ccccn1 CSC000149794 [1,0,0,0,1,0|2,0,0]=4 75 B11R1.36 NC(=O)C(O)c1ccccc1 CSC011200849 [0,0,0,0,2,0|0,0,0]=2 76 B11R1.36 NC(=O)[C@@H](O)c1ccccc1 CSC009816934 [0,0,0,0,2,0|0,0,0]=2 77 B13R1.337 CC(=O)NCCOc1ccccc1 CSC000152567 [1,0,0,0,0,1|2,0,0]=4 78 B13R1.337 CC(=O)OCCCc1ccccc1 CSC000006332 [1,0,0,0,0,1|1,0,0]=3 79 B13R1.337 CC(=O)OCCOc1ccccc1 CSC000000575 [1,0,0,0,0,1|1,0,0]=3 80 B13R1.337 CC(=O)OCCSc1ccccc1 CSC009876666 [1,0,0,0,0,1|1,0,0]=3 81 B13R1.337 NC(=O)NCCOc1ccccc1 CSC000189186 [1,0,0,0,0,1|1,0,0]=3