mol stringlengths 19 139 | CID stringlengths 6 9 | Class int64 0 1 | Model stringclasses 3 values | pIC50 float64 2.54 9.52 | MW float64 138 933 | AlogP float64 -4.36 7.53 | HBA int64 0 9 | HBD int64 0 9 | RB int64 0 31 | HeavyAtomCount int64 10 66 | ChiralCenterCount int64 0 6 | ChiralCenterCountAllPossible int64 0 9 | RingCount int64 0 6 | PSA float64 36.9 386 | Estate float64 23.3 202 | MR float64 39.2 231 | Polar float64 19.7 104 | sLi_Key int64 0 0 | ssBe_Key int64 0 0 | ssssBem_Key int64 0 0 | sBH2_Key int64 0 0 | ssBH_Key int64 0 0 | sssB_Key int64 0 0 | ssssBm_Key int64 0 0 | sCH3_Key int64 0 1 | dCH2_Key int64 0 1 | ssCH2_Key int64 0 1 | tCH_Key int64 0 1 | dsCH_Key int64 0 1 | aaCH_Key int64 0 1 | sssCH_Key int64 0 1 | ddC_Key int64 0 0 | tsC_Key int64 0 1 | dssC_Key int64 0 1 | aasC_Key int64 0 1 | aaaC_Key int64 0 1 | ssssC_Key int64 0 1 | sNH3_Key int64 0 1 | sNH2_Key int64 0 1 | ssNH2_Key int64 0 1 | dNH_Key int64 0 1 | ssNH_Key int64 0 1 | aaNH_Key int64 0 1 | tN_Key int64 0 1 | sssNH_Key int64 0 1 | dsN_Key int64 0 1 | aaN_Key int64 0 1 | sssN_Key int64 0 1 | ddsN_Key int64 0 0 | aasN_Key int64 0 1 | ssssN_Key int64 0 0 | daaN_Key int64 0 0 | sOH_Key int64 0 1 | dO_Key int64 0 1 | ssO_Key int64 0 1 | aaO_Key int64 0 1 | aOm_Key int64 0 1 | sOm_Key int64 0 1 | sF_Key int64 0 1 | sSiH3_Key int64 0 0 | ssSiH2_Key int64 0 0 | sssSiH_Key int64 0 0 | ssssSi_Key int64 0 0 | sPH2_Key int64 0 0 | ssPH_Key int64 0 0 | sssP_Key int64 0 0 | dsssP_Key int64 0 0 | ddsP_Key int64 0 0 | sssssP_Key int64 0 0 | sSH_Key int64 0 0 | dS_Key int64 0 0 | ssS_Key int64 0 1 | aaS_Key int64 0 1 | dssS_Key int64 0 1 | ddssS_Key int64 0 1 | ssssssS_Key int64 0 0 | Sm_Key int64 0 0 | sCl_Key int64 0 1 | sGeH3_Key int64 0 0 | ssGeH2_Key int64 0 0 | sssGeH_Key int64 0 0 | ssssGe_Key int64 0 0 | sAsH2_Key int64 0 0 | ssAsH_Key int64 0 0 | sssAs_Key int64 0 0 | dsssAs_Key int64 0 0 | ddsAs_Key int64 0 0 | sssssAs_Key int64 0 0 | sSeH_Key int64 0 0 | dSe_Key int64 0 0 | ssSe_Key int64 0 0 | aaSe_Key int64 0 0 | dssSe_Key int64 0 0 | ssssssSe_Key int64 0 0 | ddssSe_Key int64 0 0 | sBr_Key int64 0 1 | sSnH3_Key int64 0 0 | ssSnH2_Key int64 0 0 | sssSnH_Key int64 0 0 | ssssSn_Key int64 0 0 | sI_Key int64 0 1 | sPbH3_Key int64 0 0 | ssPbH2_Key int64 0 0 | sssPbH_Key int64 0 0 | ssssPb_Key int64 0 0 | sLi_Cnt int64 0 0 | ssBe_Cnt int64 0 0 | ssssBem_Cnt int64 0 0 | sBH2_Cnt int64 0 0 | ssBH_Cnt int64 0 0 | sssB_Cnt int64 0 0 | ssssBm_Cnt int64 0 0 | sCH3_Cnt int64 0 10 | dCH2_Cnt int64 0 1 | ssCH2_Cnt int64 0 17 | tCH_Cnt int64 0 1 | dsCH_Cnt int64 0 4 | aaCH_Cnt int64 0 18 | sssCH_Cnt int64 0 12 | ddC_Cnt int64 0 0 | tsC_Cnt int64 0 2 | dssC_Cnt int64 0 10 | aasC_Cnt int64 0 10 | aaaC_Cnt int64 0 2 | ssssC_Cnt int64 0 3 | sNH3_Cnt int64 0 1 | sNH2_Cnt int64 0 2 | ssNH2_Cnt int64 0 2 | dNH_Cnt int64 0 1 | ssNH_Cnt int64 0 6 | aaNH_Cnt int64 0 2 | tN_Cnt int64 0 2 | sssNH_Cnt int64 0 1 | dsN_Cnt int64 0 2 | aaN_Cnt int64 0 3 | sssN_Cnt int64 0 2 | ddsN_Cnt int64 0 0 | aasN_Cnt int64 0 1 | ssssN_Cnt int64 0 0 | daaN_Cnt int64 0 0 | sOH_Cnt int64 0 3 | dO_Cnt int64 0 7 | ssO_Cnt int64 0 4 | aaO_Cnt int64 0 1 | aOm_Cnt int64 0 4 | sOm_Cnt int64 0 4 | sF_Cnt int64 0 10 | sSiH3_Cnt int64 0 0 | ssSiH2_Cnt int64 0 0 | sssSiH_Cnt int64 0 0 | ssssSi_Cnt int64 0 0 | sPH2_Cnt int64 0 0 | ssPH_Cnt int64 0 0 | sssP_Cnt int64 0 0 | dsssP_Cnt int64 0 0 | ddsP_Cnt int64 0 0 | sssssP_Cnt int64 0 0 | sSH_Cnt int64 0 0 | dS_Cnt int64 0 0 | ssS_Cnt int64 0 1 | aaS_Cnt int64 0 1 | dssS_Cnt int64 0 1 | ddssS_Cnt int64 0 2 | ssssssS_Cnt int64 0 0 | Sm_Cnt int64 0 0 | sCl_Cnt int64 0 2 | sGeH3_Cnt int64 0 0 | ssGeH2_Cnt int64 0 0 | sssGeH_Cnt int64 0 0 | ssssGe_Cnt int64 0 0 | sAsH2_Cnt int64 0 0 | ssAsH_Cnt int64 0 0 | sssAs_Cnt int64 0 0 | dsssAs_Cnt int64 0 0 | ddsAs_Cnt int64 0 0 | sssssAs_Cnt int64 0 0 | sSeH_Cnt int64 0 0 | dSe_Cnt int64 0 0 | ssSe_Cnt int64 0 0 | aaSe_Cnt int64 0 0 | dssSe_Cnt int64 0 0 | ssssssSe_Cnt int64 0 0 | ddssSe_Cnt int64 0 0 | sBr_Cnt int64 0 1 | sSnH3_Cnt int64 0 0 | ssSnH2_Cnt int64 0 0 | sssSnH_Cnt int64 0 0 | ssssSn_Cnt int64 0 0 | sI_Cnt int64 0 1 | sPbH3_Cnt int64 0 0 | ssPbH2_Cnt int64 0 0 | sssPbH_Cnt int64 0 0 | ssssPb_Cnt int64 0 0 | sLi_Sum int64 0 0 | ssBe_Sum int64 0 0 | ssssBem_Sum int64 0 0 | sBH2_Sum int64 0 0 | ssBH_Sum int64 0 0 | sssB_Sum int64 0 0 | ssssBm_Sum int64 0 0 | sCH3_Sum float64 0 49.7 | dCH2_Sum int64 0 7 | ssCH2_Sum float64 -0.74 57.1 | tCH_Sum int64 0 8 | dsCH_Sum float64 0 17.6 | aaCH_Sum float64 0 66.3 | sssCH_Sum float64 -4.79 14.3 | ddC_Sum int64 0 0 | tsC_Sum float64 0 10.2 | dssC_Sum float64 -0.02 15.6 | aasC_Sum float64 0 20.2 | aaaC_Sum float64 0 5.2 | ssssC_Sum float64 -15.56 4.26 | sNH3_Sum float64 0 9.06 | sNH2_Sum float64 0 17.7 | ssNH2_Sum float64 0 11.3 | dNH_Sum int64 0 13 | ssNH_Sum float64 0 34.2 | aaNH_Sum float64 0 8.57 | tN_Sum float64 0 21.8 | sssNH_Sum int64 0 4 | dsN_Sum float64 0 14.9 | aaN_Sum float64 0 18 | sssN_Sum float64 0 8.57 | ddsN_Sum int64 0 0 | aasN_Sum float64 0 4.37 | ssssN_Sum int64 0 0 | daaN_Sum int64 0 0 | sOH_Sum float64 0 51.3 | dO_Sum float64 0 131 | ssO_Sum float64 0 35.7 | aaO_Sum float64 0 9.71 | aOm_Sum float64 0 60.5 | sOm_Sum float64 0 82.2 | sF_Sum float64 0 150 | sSiH3_Sum int64 0 0 | ssSiH2_Sum int64 0 0 | sssSiH_Sum int64 0 0 | ssssSi_Sum int64 0 0 | sPH2_Sum int64 0 0 | ssPH_Sum int64 0 0 | sssP_Sum int64 0 0 | dsssP_Sum int64 0 0 | ddsP_Sum int64 0 0 | sssssP_Sum int64 0 0 | sSH_Sum int64 0 0 | dS_Sum int64 0 0 | ssS_Sum float64 0 4.02 | aaS_Sum float64 0 3.71 | dssS_Sum float64 -0.15 0.28 | ddssS_Sum float64 -6.37 0 | ssssssS_Sum int64 0 0 | Sm_Sum int64 0 0 | sCl_Sum float64 0 16 | sGeH3_Sum int64 0 0 | ssGeH2_Sum int64 0 0 | sssGeH_Sum int64 0 0 | ssssGe_Sum int64 0 0 | sAsH2_Sum int64 0 0 | ssAsH_Sum int64 0 0 | sssAs_Sum int64 0 0 | dsssAs_Sum int64 0 0 | ddsAs_Sum int64 0 0 | sssssAs_Sum int64 0 0 | sSeH_Sum int64 0 0 | dSe_Sum int64 0 0 | ssSe_Sum int64 0 0 | aaSe_Sum int64 0 0 | dssSe_Sum int64 0 0 | ssssssSe_Sum int64 0 0 | ddssSe_Sum int64 0 0 | sBr_Sum int64 0 5 | sSnH3_Sum int64 0 0 | ssSnH2_Sum int64 0 0 | sssSnH_Sum int64 0 0 | ssssSn_Sum int64 0 0 | sI_Sum float64 0 3.8 | sPbH3_Sum int64 0 0 | ssPbH2_Sum int64 0 0 | sssPbH_Sum int64 0 0 | ssssPb_Sum int64 0 0 | sLi_Avg int64 0 0 | ssBe_Avg int64 0 0 | ssssBem_Avg int64 0 0 | sBH2_Avg int64 0 0 | ssBH_Avg int64 0 0 | sssB_Avg int64 0 0 | ssssBm_Avg int64 0 0 | sCH3_Avg float64 0 5.29 | dCH2_Avg int64 0 7 | ssCH2_Avg float64 -0.37 3.56 | tCH_Avg int64 0 8 | dsCH_Avg float64 0 4.43 | aaCH_Avg float64 0 4.35 | sssCH_Avg float64 -3.57 2.87 | ddC_Avg int64 0 0 | tsC_Avg float64 0 5.1 | dssC_Avg float64 -0.01 2.81 | aasC_Avg float64 0 3.29 | aaaC_Avg float64 0 2.6 | ssssC_Avg float64 -5.44 2.34 | sNH3_Avg float64 0 9.06 | sNH2_Avg float64 0 11 | ssNH2_Avg float64 0 5.94 | dNH_Avg int64 0 13 | ssNH_Avg float64 0 6.98 | aaNH_Avg float64 0 5.52 | tN_Avg float64 0 12.9 | sssNH_Avg int64 0 4 | dsN_Avg float64 0 7.78 | aaN_Avg float64 0 8.15 | sssN_Avg float64 0 5.46 | ddsN_Avg int64 0 0 | aasN_Avg float64 0 4.37 | ssssN_Avg int64 0 0 | daaN_Avg int64 0 0 | sOH_Avg float64 0 19.4 | dO_Avg float64 0 21.2 | ssO_Avg float64 0 10.2 | aaO_Avg float64 0 9.71 | aOm_Avg float64 0 15.2 | sOm_Avg float64 0 21.7 | sF_Avg float64 0 20.9 | sSiH3_Avg int64 0 0 | ssSiH2_Avg int64 0 0 | sssSiH_Avg int64 0 0 | ssssSi_Avg int64 0 0 | sPH2_Avg int64 0 0 | ssPH_Avg int64 0 0 | sssP_Avg int64 0 0 | dsssP_Avg int64 0 0 | ddsP_Avg int64 0 0 | sssssP_Avg int64 0 0 | sSH_Avg int64 0 0 | dS_Avg int64 0 0 | ssS_Avg float64 0 4.02 | aaS_Avg float64 0 3.71 | dssS_Avg float64 -0.15 0.28 | ddssS_Avg float64 -3.78 0 | ssssssS_Avg int64 0 0 | Sm_Avg int64 0 0 | sCl_Avg float64 0 8.45 | sGeH3_Avg int64 0 0 | ssGeH2_Avg int64 0 0 | sssGeH_Avg int64 0 0 | ssssGe_Avg int64 0 0 | sAsH2_Avg int64 0 0 | ssAsH_Avg int64 0 0 | sssAs_Avg int64 0 0 | dsssAs_Avg int64 0 0 | ddsAs_Avg int64 0 0 | sssssAs_Avg int64 0 0 | sSeH_Avg int64 0 0 | dSe_Avg int64 0 0 | ssSe_Avg int64 0 0 | aaSe_Avg int64 0 0 | dssSe_Avg int64 0 0 | ssssssSe_Avg int64 0 0 | ddssSe_Avg int64 0 0 | sBr_Avg int64 0 5 | sSnH3_Avg int64 0 0 | ssSnH2_Avg int64 0 0 | sssSnH_Avg int64 0 0 | ssssSn_Avg int64 0 0 | sI_Avg float64 0 3.8 | sPbH3_Avg int64 0 0 | ssPbH2_Avg int64 0 0 | sssPbH_Avg int64 0 0 | ssssPb_Avg int64 0 0 | First Zagreb (ZM1) int64 44 314 | First Zagreb index by valence vertex degrees (ZM1V) float64 105 1k | Second Zagreb (ZM2) int64 47 357 | Second Zagreb index by valence vertex degrees (ZM2V) float64 102 808 | Polarity (Pol) int64 10 97 | Narumi Simple Topological (NST) float64 6.36 41.7 | Narumi Harmonic Topological (NHT) float64 1.57 2.16 | Narumi Geometric Topological (NGT) float64 1.75 2.23 | Total structure connectivity (TSC) float64 0.15 0.4 | Wiener (W) int64 127 24.3k | Mean Wiener (MW) float64 2.6 11.3 | Xu (Xu) float64 10.2 53.8 | Quadratic (QIndex) int64 5 37 | Radial centric (RC) float64 1.82 3.9 | Mean Square Distance Balaban (MSDB) float64 0.17 0.34 | Superpendentic (SP) float64 8.77 152,394B | Harary (Har) float64 22.1 339 | Log of product of row sums (LPRS) float64 32.1 434 | Pogliani (Pog) float64 21.5 151 | Schultz Molecular Topological (SMT) int64 529 95.3k | Schultz Molecular Topological by valence vertex degrees (SMTV) float64 885 176k | Mean Distance Degree Deviation (MDDD) float64 3.45 123 | Ramification (Ram) int64 2 23 | Gutman Molecular Topological (GMT) int64 452 92.6k | Gutman MTI by valence vertex degrees (GMTV) float64 1.17k 314k | Average vertex distance degree (AVDD) float64 25.4 736 | Unipolarity (UP) int64 19 528 | Centralization (CENT) int64 64 13.8k | Variation (VAR) int64 15 536 | Molecular electrotopological variation (MEV) float64 7.3 160 | Maximal electrotopological positive variation (MEPV) float64 1.62 7.76 | Maximal electrotopological negative variation (MENV) float64 1.12 7.17 | Eccentric connectivity (ECCc) int64 102 3k | Eccentricity (ECC) int64 51 1.52k | Average eccentricity (AECC) float64 4.64 23 | Eccentric (DECC) float64 0.76 3.4 | Valence connectivity index chi-0 (vX0) float64 5.63 38.5 | Valence connectivity index chi-1 (vX1) float64 3.16 21.9 | Valence connectivity index chi-2 (vX2) float64 2.27 17.7 | Valence connectivity index chi-3 (vX3) float64 1.4 11 | Valence connectivity index chi-4 (vX4) float64 0.87 7.88 | Valence connectivity index chi-5 (vX5) float64 0.39 5.23 | Average valence connectivity index chi-0 (AvX0) float64 0.5 0.66 | Average valence connectivity index chi-1 (AvX1) float64 0.26 0.39 | Average valence connectivity index chi-2 (AvX2) float64 0.13 0.25 | Average valence connectivity index chi-3 (AvX3) float64 0.07 0.13 | Average valence connectivity index chi-4 (AvX4) float64 0.03 0.08 | Average valence connectivity index chi-5 (AvX5) float64 0.02 0.05 | Quasi Wiener (QW) float64 94.8 24.1k | First Mohar (FM) float64 -114.95 723 | Second Mohar (SM) float64 1.28 11.6 | Spanning tree number (STN) int64 1 37.8k | Kier benzene-likeliness index (KBLI) float64 0.77 1.18 | Topological charge index of order 1 (TCI1) float64 2 18.5 | Topological charge index of order 2 (TCI2) float64 0.89 8 | Topological charge index of order 3 (TCI3) float64 0.25 5.04 | Topological charge index of order 4 (TCI4) float64 0.34 4.87 | Topological charge index of order 5 (TCI5) float64 0.15 3.12 | Topological charge index of order 6 (TCI6) float64 0 2.14 | Topological charge index of order 7 (TCI7) float64 0 2 | Topological charge index of order 8 (TCI8) float64 0 1.56 | Topological charge index of order 9 (TCI9) float64 0 1.05 | Topological charge index of order 10 (TCI10) float64 0 1 | Mean topological charge index of order 1 (MTCI1) float64 0.1 0.4 | Mean topological charge index of order 2 (MTCI2) float64 0.05 0.13 | Mean topological charge index of order 3 (MTCI3) float64 0.03 0.09 | Mean topological charge index of order 4 (MTCI4) float64 0.02 0.06 | Mean topological charge index of order 5 (MTCI5) float64 0.01 0.05 | Mean topological charge index of order 6 (MTCI6) float64 0 0.05 | Mean topological charge index of order 7 (MTCI7) float64 0 0.03 | Mean topological charge index of order 8 (MTCI8) float64 0 0.03 | Mean topological charge index of order 9 (MTCI9) float64 0 0.02 | Mean topological charge index of order 10 (MTCI10) float64 0 0.02 | Global topological charge (GTC) float64 0.3 0.74 | Hyper-distance-path index (HDPI) int64 296 197k | Reciprocal hyper-distance-path index (RHDPI) float64 16.7 157 | Square reciprocal distance sum (SRDS) float64 22.1 339 | Modified Randic connectivity (MRC) float64 29.9 199 | Balaban centric (BC) int64 0 249 | Lopping centric (LC) int64 0 2 | Kier Hall electronegativity (KHE) float64 5.67 42.3 | Sum of topological distances between N..N (STD(N N)) int64 0 272 | Sum of topological distances between N..O (STD(N O)) int64 0 1.24k | Sum of topological distances between N..S (STD(N S)) int64 0 55 | Sum of topological distances between N..P (STD(N P)) int64 0 0 | Sum of topological distances between N..F (STD(N F)) int64 0 248 | Sum of topological distances between N..Cl (STD(N Cl)) int64 0 96 | Sum of topological distances between N..Br (STD(N Br)) int64 0 56 | Sum of topological distances between N..I (STD(N I)) int64 0 29 | Sum of topological distances between O..O (STD(O O)) int64 0 1.41k | Sum of topological distances between O..S (STD(O S)) int64 0 84 | Sum of topological distances between O..P (STD(O P)) int64 0 0 | Sum of topological distances between O..F (STD(O F)) int64 0 493 | Sum of topological distances between O..Cl (STD(O Cl)) int64 0 128 | Sum of topological distances between O..Br (STD(O Br)) int64 0 39 | Sum of topological distances between O..I (STD(O I)) int64 0 34 | Sum of topological distances between S..S (STD(S S)) int64 0 6 | Sum of topological distances between S..P (STD(S P)) int64 0 0 | Sum of topological distances between S..F (STD(S F)) int64 0 97 | Sum of topological distances between S..Cl (STD(S Cl)) int64 0 32 | Sum of topological distances between S..Br (STD(S Br)) int64 0 7 | Sum of topological distances between S..I (STD(S I)) int64 0 0 | Sum of topological distances between P..P (STD(P P)) int64 0 0 | Sum of topological distances between P..F (STD(P F)) int64 0 0 | Sum of topological distances between P..Cl (STD(P Cl)) int64 0 0 | Sum of topological distances between P..Br (STD(P Br)) int64 0 0 | Sum of topological distances between P..I (STD(P I)) int64 0 0 | Sum of topological distances between F..F (STD(F F)) int64 0 465 | Sum of topological distances between F..Cl (STD(F Cl)) int64 0 64 | Sum of topological distances between F..Br (STD(F Br)) int64 0 33 | Sum of topological distances between F..I (STD(F I)) int64 0 26 | Sum of topological distances between Cl..Cl (STD(Cl Cl)) int64 0 12 | Sum of topological distances between Cl..Br (STD(Cl Br)) int64 0 30 | Sum of topological distances between Cl..I (STD(Cl I)) int64 0 12 | Sum of topological distances between Br..Br (STD(Br Br)) int64 0 0 | Sum of topological distances between Br..I (STD(Br I)) int64 0 0 | Sum of topological distances between I..I (STD(I I)) int64 0 0 | Wiener-type index from Z weighted distance matrix - Barysz matrix (WhetZ) float64 89.5 22.2k | Wiener-type index from electronegativity weighted distance matrix (Whete) float64 94 22.2k | Wiener-type index from mass weighted distance matrix (Whetm) float64 89.4 22.2k | Wiener-type index from van der waals weighted distance matrix (Whetv) float64 116 28.9k | Wiener-type index from polarizability weighted distance matrix (Whetp) float64 119 30.6k | Balaban-type index from Z weighted distance matrix - Barysz matrix (JhetZ) float64 1.26 5.91 | Balaban-type index from electronegativity weighted distance matrix (Jhete) float64 1.25 5.84 | Balaban-type index from mass weighted distance matrix (Jhetm) float64 1.26 5.91 | Balaban-type index from van der waals weighted distance matrix (Jhetv) float64 1.04 4.61 | Balaban-type index from polarizability weighted distance matrix (Jhetp) float64 0.99 4.39 | Topological diameter (TD) int64 6 30 | Topological radius (TR) int64 3 15 | Petitjean 2D shape (PJ2DS) float64 0.75 1 | Balaban distance connectivity index (J) float64 1.06 5.41 | Solvation connectivity index chi-0 (SCIX0) float64 7.4 50.4 | Solvation connectivity index chi-1 (SCIX1) float64 4.83 30.7 | Solvation connectivity index chi-2 (SCIX2) float64 3.91 29.1 | Solvation connectivity index chi-3 (SCIX3) float64 2.83 21.8 | Solvation connectivity index chi-4 (SCIX4) float64 2.03 16.6 | Solvation connectivity index chi-5 (SCIX5) float64 1.18 11.6 | Connectivity index chi-0 (CIX0) float64 7.4 50.4 | Connectivity chi-1 [Randic connectivity] (CIX1) float64 4.83 30.7 | Connectivity index chi-2 (CIX2) float64 3.91 29 | Connectivity index chi-3 (CIX3) float64 2.83 21 | Connectivity index chi-4 (CIX4) float64 2.03 16.2 | Connectivity index chi-5 (CIX5) float64 1.18 11.1 | Average connectivity index chi-0 (ACIX0) float64 0.68 0.78 | Average connectivity index chi-1 (ACIX1) float64 0.41 0.48 | Average connectivity index chi-2 (ACIX2) float64 0.25 0.34 | Average connectivity index chi-3 (ACIX3) float64 0.15 0.22 | Average connectivity index chi-4 (ACIX4) float64 0.09 0.14 | Average connectivity index chi-5 (ACIX5) float64 0.05 0.11 | reciprocal distance Randic-type index (RDR) float64 2.2 6.26 | reciprocal distance square Randic-type index (RDSR) float64 46 720 | 1-path Kier alpha-modified shape index (KAMS1) float64 8.07 64 | 2-path Kier alpha-modified shape index (KAMS2) float64 3.07 33.6 | 3-path Kier alpha-modified shape index (KAMS3) float64 4 28.6 | Kier flexibility (KF) float64 2.25 32.6 | path/walk 2 - Randic shape index (RSIpw2) float64 0.54 0.63 | path/walk 3 - Randic shape index (RSIpw3) float64 0.27 0.39 | path/walk 4 - Randic shape index (RSIpw4) float64 0.14 0.23 | path/walk 5 - Randic shape index (RSIpw5) float64 0.08 0.14 | E-state topological parameter (ETP) float64 23.3 194 | Ring Count 3 (RNGCNT3) int64 0 2 | Ring Count 4 (RNGCNT4) int64 0 1 | Ring Count 5 (RNGCNT5) int64 0 2 | Ring Count 6 (RNGCNT6) int64 0 5 | Ring Count 7 (RNGCNT7) int64 0 1 | Ring Count 8 (RNGCNT8) int64 0 0 | Ring Count 9 (RNGCNT9) int64 0 0 | Ring Count 10 (RNGCNT10) int64 0 0 | Ring Count 11 (RNGCNT11) int64 0 0 | Ring Count 12 (RNGCNT12) int64 0 0 | Ring Count 13 (RNGCNT13) int64 0 0 | Ring Count 14 (RNGCNT14) int64 0 0 | Ring Count 15 (RNGCNT15) int64 0 1 | Ring Count 16 (RNGCNT16) int64 0 1 | Ring Count 17 (RNGCNT17) int64 0 0 | Ring Count 18 (RNGCNT18) int64 0 0 | Ring Count 19 (RNGCNT19) int64 0 0 | Ring Count 20 (RNGCNT20) int64 0 0 | Atom Count (ATMCNT) int64 10 66 | Bond Count (BNDCNT) int64 10 66 | Atoms in Ring System (ATMRNGCNT) int64 0 32 | Bonds in Ring System (BNDRNGCNT) int64 0 34 | Cyclomatic number (CYCLONUM) int64 0 6 | Number of ring systems (NRS) int64 -1 5 | Normalized number of ring systems (NNRS) float64 -0.25 1 | Ring Fusion degree (RFD) float64 -4 5 | Ring perimeter (RNGPERM) int64 0 66 | Ring bridge count (RNGBDGE) int64 -32 0 | Molecule cyclized degree (MCD) float64 0 0.96 | Ring Fusion density (RFDELTA) float64 -2.67 0 | Ring complexity index (RCI) float64 -0.06 0.21 | Van der Waals surface area (VSA) float64 163 1.29k | MR1 (MR1) float64 -3.5 108 | MR2 (MR2) int64 0 0 | MR3 (MR3) int64 0 0 | MR4 (MR4) int64 0 0 | MR5 (MR5) int64 0 0 | MR6 (MR6) int64 0 0 | MR7 (MR7) int64 0 0 | MR8 (MR8) float64 163 1.18k | ALOGP1 (ALOGP1) float64 0 257 | ALOGP2 (ALOGP2) float64 -5.54 171 | ALOGP3 (ALOGP3) float64 20.1 379 | ALOGP4 (ALOGP4) float64 -3.15 62 | ALOGP5 (ALOGP5) float64 0 116 | ALOGP6 (ALOGP6) float64 0 78.1 | ALOGP7 (ALOGP7) float64 0 76.8 | ALOGP8 (ALOGP8) float64 0 28.7 | ALOGP9 (ALOGP9) float64 -0.82 53.3 | ALOGP10 (ALOGP10) float64 59.2 613 | PEOE1 (PEOE1) float64 -3.8 196 | PEOE2 (PEOE2) float64 0 145 | PEOE3 (PEOE3) float64 0 116 | PEOE4 (PEOE4) float64 -0.3 123 | PEOE5 (PEOE5) float64 -1.24 94.8 | PEOE6 (PEOE6) float64 0 160 | PEOE7 (PEOE7) float64 4.45 124 | PEOE8 (PEOE8) float64 1.92 507 | PEOE9 (PEOE9) float64 0 379 | PEOE10 (PEOE10) float64 -2.22 91.2 | PEOE11 (PEOE11) float64 -7.29 29.8 | PEOE12 (PEOE12) float64 -6.11 48.1 | PEOE13 (PEOE13) float64 -7.38 16.4 | PEOE14 (PEOE14) float64 -1.27 61.7 | canvasUID int64 2 1.55k |
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O=C1c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C | BACE_1069 | 0 | Test | 6.153045 | 349.38651 | 1.3965 | 5 | 0 | 1 | 26 | 0 | 1 | 4 | 101.54 | 62.668999 | 96.528198 | 42.890999 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 1 | 0 | 0 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 1 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12.3457 | 0 | 1.997 | 0 | 0 | 18.3985 | 0 | 0 | 0 | 3.5632 | 7.2403 | 0 | 0.5732 | 0 | 9.3323 | 0 | 0 | 0 | 0 | 0 | 0 | 6.5331 | 10.7995 | 2.87 | 0 | 0 | 0 | 0 | 0 | 32.954201 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4.1152 | 0 | 1.997 | 0 | 0 | 3.0664 | 0 | 0 | 0 | 1.1877 | 1.8101 | 0 | 0.2866 | 0 | 9.3323 | 0 | 0 | 0 | 0 | 0 | 0 | 6.5331 | 5.3997 | 2.87 | 0 | 0 | 0 | 0 | 0 | 16.4771 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 150 | 386 | 187 | 406 | 52 | 18.492958 | 1.835294 | 2.036571 | 0.23254 | 1,450 | 4.461538 | 24.015356 | 26 | 2.410986 | 0.196586 | 1,496.5487 | 105.29444 | 122.04693 | 56.5 | 6,359 | 10,810 | 19.118343 | 12 | 6,536 | 18,585 | 111.53846 | 76 | 924 | 90 | 35.250641 | 6.092891 | 2.419421 | 458 | 212 | 8.153846 | 1.165681 | 14.853909 | 8.343851 | 7.471746 | 5.223627 | 3.782224 | 2.493005 | 0.571304 | 0.287719 | 0.162429 | 0.079146 | 0.04298 | 0.02246 | 1,006.2809 | 95.445045 | 2.374332 | 1,050 | 0.863157 | 7.5 | 5.111111 | 3.673611 | 2.485 | 1.698333 | 0.916871 | 0.508716 | 0.300847 | 0.144691 | 0.049383 | 0.258621 | 0.111111 | 0.070646 | 0.051771 | 0.03692 | 0.02478 | 0.018168 | 0.013675 | 0.01113 | 0.012346 | 0.596823 | 4,807 | 64.601295 | 105.29444 | 77.009232 | 0 | 0 | 13.75 | 56 | 59 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1,163.512 | 1,164.2015 | 1,163.6271 | 1,339.8625 | 1,386.3295 | 2.034554 | 2.033476 | 2.034376 | 1.799934 | 1.747841 | 10 | 5 | 1 | 1.640064 | 18.689871 | 12.260491 | 12.257966 | 10.953978 | 8.677283 | 6.540143 | 18.689871 | 12.260491 | 12.257966 | 10.953978 | 8.677283 | 6.340159 | 0.718841 | 0.422776 | 0.266478 | 0.165969 | 0.098605 | 0.059813 | 3.468263 | 247.26326 | 19.322235 | 6.805293 | 4.899408 | 5.057441 | 0.614698 | 0.379775 | 0.201514 | 0.119509 | 62.666668 | 0 | 0 | 1 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 26 | 29 | 20 | 22 | 4 | 2 | 0.5 | 2 | 42 | -20 | 0.769231 | -2 | 0.1 | 399.72833 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 399.72833 | 50.678848 | 12.370164 | 120.75193 | 21.84379 | 18.623276 | 13.263793 | 0 | 0 | 0 | 162.19653 | 0 | 48.729717 | 28.590353 | 0.447259 | 0 | 37.771442 | 17.631941 | 151.45886 | 53.810783 | 44.097675 | 9.210132 | 7.98017 | 0 | 0 | 1,069 |
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2)ccc1 | BACE_1068 | 0 | Test | 6.154902 | 516.64301 | 2.7899 | 3 | 3 | 9 | 37 | 0 | 2 | 4 | 78.410004 | 86.917999 | 139.7038 | 61.887001 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 12 | 0 | 0 | 7 | 2 | 0 | 0 | 1 | 5 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.8502 | 0 | 37.523399 | 0 | 0 | 26.7257 | 2.4792 | 0 | 0 | 1.3757 | 9.7402 | 0 | 1.9741 | 0 | 0 | 5.7482 | 0 | 5.8411 | 0 | 0 | 0 | 0 | 0 | 4.9802 | 0 | 0 | 0 | 0 | 18.1325 | 16.5769 | 9.2177 | 0 | 0 | 0 | 34.959499 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.8502 | 0 | 3.1269 | 0 | 0 | 3.818 | 1.2396 | 0 | 0 | 1.3757 | 1.948 | 0 | 1.9741 | 0 | 0 | 5.7482 | 0 | 5.8411 | 0 | 0 | 0 | 0 | 0 | 4.9802 | 0 | 0 | 0 | 0 | 18.1325 | 16.5769 | 9.2177 | 0 | 0 | 0 | 17.4797 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 190 | 487 | 219 | 436 | 60 | 26.523043 | 1.922078 | 2.047949 | 0.194173 | 4,534 | 6.807808 | 33.535576 | 24 | 3.040836 | 0.212933 | 1,836.926 | 159.30559 | 202.86218 | 81.5 | 19,328 | 31,232 | 40.569759 | 11 | 20,093 | 51,620 | 245.08109 | 171 | 2,741 | 158 | 50.753014 | 5.754259 | 2.338297 | 995 | 468 | 12.648648 | 1.928415 | 21.725637 | 13.523207 | 10.516113 | 7.735407 | 5.847595 | 3.563609 | 0.587179 | 0.33808 | 0.191202 | 0.112107 | 0.065703 | 0.037512 | 3,925.6667 | 265.83255 | 5.832723 | 1,512 | 1.014241 | 8.5 | 3.777778 | 2.5625 | 1.590556 | 1.555833 | 0.955918 | 0.68052 | 0.471175 | 0.339699 | 0.30272 | 0.2125 | 0.068687 | 0.042708 | 0.027904 | 0.025931 | 0.015671 | 0.011534 | 0.008266 | 0.006933 | 0.006727 | 0.420134 | 22,378 | 88.023834 | 159.30559 | 112.35454 | 0 | 0 | 20.75 | 18 | 56 | 0 | 0 | 54 | 0 | 0 | 0 | 30 | 0 | 0 | 62 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3,924.3809 | 3,929.3726 | 3,922.479 | 4,934.5698 | 5,221.6445 | 1.597471 | 1.595612 | 1.597949 | 1.286841 | 1.220697 | 16 | 8 | 1 | 1.389446 | 26.252502 | 17.842974 | 16.223051 | 12.585313 | 10.763958 | 7.338198 | 26.252502 | 17.842974 | 16.223051 | 12.585313 | 10.763958 | 7.338198 | 0.709527 | 0.446074 | 0.294965 | 0.182396 | 0.120943 | 0.077244 | 4.576461 | 355.89044 | 29.855125 | 14.495294 | 11.487627 | 11.696184 | 0.575086 | 0.322288 | 0.179301 | 0.099812 | 86.916664 | 0 | 0 | 0 | 3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 37 | 40 | 25 | 25 | 4 | 4 | 1 | 1 | 46 | -21 | 0.675676 | -1.68 | 0.16 | 684.75201 | 1.780932 | 0 | 0 | 0 | 0 | 0 | 0 | 682.97107 | 84.085701 | 71.162086 | 78.810722 | 0 | 5.997468 | 16.044712 | 0 | 0 | 35.550434 | 393.10092 | 28.423664 | 25.422295 | 35.550434 | 0 | 0 | 21.609356 | 54.478653 | 296.25876 | 158.87447 | 23.302103 | 7.98017 | 8.188327 | 0 | 24.663788 | 1,068 |
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1nccc(c1)C(C)(C)C | BACE_1064 | 0 | Test | 6.19382 | 432.52661 | 3.1993 | 3 | 3 | 9 | 31 | 0 | 2 | 3 | 78.830002 | 76.167999 | 110.7577 | 52.080002 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 3 | 0 | 0 | 6 | 2 | 0 | 0 | 1 | 5 | 0 | 2 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 18.869801 | 0 | 8.1675 | 0 | 0 | 20.4284 | 2.2718 | 0 | 0 | 1.274 | 8.8761 | 0 | 3.6895 | 0 | 0 | 5.2734 | 0 | 5.5998 | 0 | 0 | 0 | 0 | 7.2269 | 0 | 0 | 0 | 0 | 0 | 17.2094 | 15.9757 | 0 | 0 | 0 | 0 | 33.942902 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4.7174 | 0 | 2.7225 | 0 | 0 | 3.4047 | 1.1359 | 0 | 0 | 1.274 | 1.7752 | 0 | 1.8448 | 0 | 0 | 5.2734 | 0 | 5.5998 | 0 | 0 | 0 | 0 | 7.2269 | 0 | 0 | 0 | 0 | 0 | 17.2094 | 15.9757 | 0 | 0 | 0 | 0 | 16.9715 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 164 | 429 | 190 | 390 | 46 | 20.572401 | 1.754717 | 1.94182 | 0.220474 | 2,907 | 6.251613 | 29.11026 | 23 | 2.845033 | 0.234916 | 8,602.6289 | 121.38744 | 161.7188 | 68.5 | 12,120 | 20,191 | 29.49844 | 12 | 12,198 | 33,060 | 187.54839 | 134 | 1,660 | 106 | 46.230778 | 5.55578 | 2.34781 | 732 | 352 | 11.354838 | 1.698231 | 18.583183 | 10.699592 | 9.631908 | 5.865132 | 3.978164 | 2.572179 | 0.599458 | 0.32423 | 0.19657 | 0.102897 | 0.056831 | 0.032977 | 2,622.6667 | 142.42258 | 5.726643 | 108 | 0.97269 | 10.5 | 3.888889 | 2.854167 | 1.626111 | 1.5275 | 0.889206 | 0.621492 | 0.470175 | 0.276242 | 0.255588 | 0.318182 | 0.084541 | 0.062047 | 0.036136 | 0.033944 | 0.01976 | 0.016355 | 0.012373 | 0.008911 | 0.008245 | 0.59225 | 13,386 | 70.171349 | 121.38744 | 91.066818 | 0 | 0 | 17.75 | 14 | 29 | 0 | 0 | 50 | 0 | 0 | 0 | 5 | 0 | 0 | 30 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2,499.7024 | 2,502.8799 | 2,497.9539 | 3,090.8721 | 3,264.0068 | 1.793879 | 1.791789 | 1.794706 | 1.463494 | 1.39072 | 14 | 7 | 1 | 1.552603 | 22.81119 | 14.481819 | 14.713616 | 10.153333 | 8.179536 | 5.625599 | 22.81119 | 14.481819 | 14.713616 | 9.674779 | 8.179536 | 5.521433 | 0.735845 | 0.438843 | 0.300278 | 0.179163 | 0.116851 | 0.07265 | 4.069781 | 270.79303 | 25.504347 | 11.841005 | 11.035253 | 9.741841 | 0.601408 | 0.322406 | 0.163737 | 0.093749 | 77.666664 | 1 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 31 | 33 | 15 | 15 | 3 | 3 | 1 | 1 | 27 | -12 | 0.483871 | -1.6 | 0.2 | 569.06006 | 6.230293 | 0 | 0 | 0 | 0 | 0 | 0 | 562.82977 | 66.158768 | 46.453693 | 89.010406 | 15.371257 | 5.29251 | 11.360349 | 4.988153 | 0 | 35.550434 | 294.87451 | 18.41943 | 34.159103 | 35.550434 | 0 | 0 | 30.917171 | 36.228424 | 247.21771 | 97.445267 | 28.290257 | 7.98017 | 8.188327 | 0 | 24.663788 | 1,064 |
s1c2c(nc1C)C(=NC2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N | BACE_1063 | 0 | Test | 6.200659 | 413.4949 | 2.981 | 5 | 0 | 4 | 30 | 0 | 1 | 5 | 114.52 | 63.585999 | 117.7388 | 56.632999 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 11 | 0 | 0 | 0 | 1 | 8 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.488 | 0 | 0 | 0 | 0 | 36.805698 | 0 | 0 | 0 | 1.3854 | 15.6997 | 0 | 0.0654 | 0 | 9.3798 | 0 | 0 | 0 | 0 | 0 | 0 | 6.5746 | 16.996099 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.6156 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.5315 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.744 | 0 | 0 | 0 | 0 | 3.346 | 0 | 0 | 0 | 1.3854 | 1.9625 | 0 | 0.0654 | 0 | 9.3798 | 0 | 0 | 0 | 0 | 0 | 0 | 6.5746 | 5.6654 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.6156 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.5315 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 168 | 406.44446 | 207 | 443.33334 | 54 | 23.057306 | 2.033898 | 2.156695 | 0.208255 | 2,224 | 5.112644 | 27.422222 | 27 | 2.651307 | 0.195145 | 95.236549 | 127.10095 | 149.27208 | 63.5 | 9,902 | 15,822.667 | 26.200001 | 11 | 10,530 | 26,522 | 148.26666 | 95 | 1,598 | 128 | 21.071604 | 2.364676 | 2.010653 | 647 | 293 | 9.766666 | 1.315556 | 16.533554 | 9.456603 | 7.054528 | 5.275526 | 3.68934 | 2.388918 | 0.551118 | 0.278135 | 0.141091 | 0.072267 | 0.038034 | 0.018663 | 1,651.4584 | 179.53883 | 2.969337 | 5,184 | 0.834406 | 6.5 | 4.222222 | 2.923611 | 1.838333 | 1.501111 | 0.970794 | 0.619827 | 0.376464 | 0.221265 | 0.098867 | 0.191176 | 0.084444 | 0.054141 | 0.033424 | 0.026335 | 0.019035 | 0.013774 | 0.009907 | 0.008195 | 0.007062 | 0.440432 | 8,318 | 75.052841 | 127.10095 | 94.955818 | 0 | 0 | 14.694445 | 60 | 44 | 25 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1,668.6666 | 1,712.5599 | 1,668.7834 | 1,943.724 | 1,975.9382 | 1.866056 | 1.818279 | 1.865952 | 1.63605 | 1.618161 | 13 | 7 | 0.857143 | 1.411177 | 21.07052 | 15.021607 | 13.974527 | 12.672841 | 10.651738 | 8.783077 | 20.716969 | 14.613358 | 13.288301 | 11.919962 | 9.913401 | 7.30378 | 0.690566 | 0.429805 | 0.265766 | 0.163287 | 0.1022 | 0.061896 | 3.955803 | 299.39682 | 22.300041 | 9.395697 | 7.5202 | 6.984148 | 0.585617 | 0.361417 | 0.209661 | 0.126924 | 63.583332 | 0 | 0 | 2 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 30 | 34 | 26 | 27 | 5 | 4 | 0.8 | 1.25 | 50 | -23 | 0.866667 | -1.769231 | 0.153846 | 432.38068 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 432.38068 | 35.567368 | 62.533512 | 91.521729 | 31.595757 | 18.911983 | 18.328981 | 6.14439 | 0 | 0 | 167.77696 | 9.751966 | 12.853045 | 38.03212 | 0 | 15.935058 | 42.899986 | 43.009518 | 69.366081 | 150.79086 | 49.742043 | 0 | 0 | 0 | 0 | 1,063 |
S1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N | BACE_1062 | 0 | Test | 6.200659 | 312.4292 | 3.1693 | 3 | 0 | 3 | 22 | 0 | 1 | 3 | 72.910004 | 44.917999 | 92.871399 | 42.779999 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 0 | 8 | 0 | 0 | 0 | 1 | 4 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.1041 | 0 | 5.0748 | 0 | 0 | 29.4347 | 0 | 0 | 0 | 2.1527 | 9.4117 | 0 | 0.8429 | 0 | 9.5951 | 0 | 0 | 0 | 0 | 0 | 0 | 6.8577 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.6564 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.3015 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4.052 | 0 | 2.5374 | 0 | 0 | 3.6793 | 0 | 0 | 0 | 2.1527 | 2.3529 | 0 | 0.8429 | 0 | 9.5951 | 0 | 0 | 0 | 0 | 0 | 0 | 6.8577 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.6564 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.3015 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 116 | 248.44444 | 136 | 266 | 35 | 15.890269 | 1.927007 | 2.059133 | 0.250862 | 1,054 | 4.56277 | 21.386803 | 17 | 2.533771 | 0.242424 | 50.049976 | 76.877853 | 99.971756 | 46 | 4,566 | 6,711.3335 | 15.256198 | 7 | 4,638 | 9,779.667 | 95.818184 | 70 | 568 | 68 | 12.522044 | 1.954868 | 1.544435 | 404 | 190 | 8.636364 | 1.305785 | 12.874076 | 7.337349 | 5.497247 | 3.899545 | 2.654357 | 1.408042 | 0.585185 | 0.305723 | 0.161684 | 0.088626 | 0.047399 | 0.025601 | 802.16669 | 60.625446 | 3.372202 | 216 | 0.917169 | 5.5 | 2.888889 | 1.5625 | 1.115556 | 0.847222 | 0.326531 | 0.28125 | 0.171832 | 0.08 | 0.049485 | 0.229167 | 0.084967 | 0.044643 | 0.035986 | 0.030258 | 0.013605 | 0.014063 | 0.010739 | 0.007273 | 0.008247 | 0.470701 | 3,663 | 48.81876 | 76.877853 | 69.67852 | 0 | 0 | 10.944445 | 2 | 18 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 786.04169 | 816.88354 | 786.10846 | 956.56793 | 972.7113 | 2.159893 | 2.079258 | 2.159755 | 1.825834 | 1.807951 | 11 | 6 | 0.833333 | 1.610223 | 15.932693 | 11.03108 | 10.385738 | 8.719856 | 7.441732 | 4.517608 | 15.57914 | 10.604303 | 9.680123 | 8.027343 | 6.645561 | 4.071649 | 0.708143 | 0.441846 | 0.284709 | 0.18244 | 0.118671 | 0.07403 | 3.357066 | 174.09636 | 17.327156 | 7.591157 | 6.502579 | 5.97878 | 0.581764 | 0.343109 | 0.182563 | 0.099343 | 44.916668 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 22 | 24 | 18 | 18 | 3 | 3 | 1 | 1 | 33 | -15 | 0.818182 | -1.666667 | 0.166667 | 376.1748 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 376.1748 | 43.001213 | 68.639977 | 27.411821 | 2.750695 | 16.265728 | 5.065188 | 0 | 0 | 0 | 213.04019 | 9.751966 | 22.559864 | 0 | 0 | 17.368519 | 42.899986 | 42.604626 | 96.544533 | 131.37486 | 13.070454 | 0 | 0 | 0 | 0 | 1,062 |
o1cc(cc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1 | BACE_1060 | 0 | Test | 6.200659 | 332.3559 | 1.4726 | 4 | 0 | 3 | 25 | 0 | 1 | 4 | 84.720001 | 57.751999 | 90.558403 | 44.289001 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 11 | 0 | 0 | 0 | 2 | 4 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.6271 | 0 | 0 | 0 | 0 | 34.5438 | 0 | 0 | 0 | 2.0104 | 7.6289 | 0 | -0.3894 | 0 | 9.1324 | 0 | 0 | 0 | 0 | 0 | 0 | 6.2213 | 5.5038 | 2.7417 | 0 | 0 | 0 | 0 | 0 | 15.9161 | 0 | 6.7578 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.6271 | 0 | 0 | 0 | 0 | 3.1403 | 0 | 0 | 0 | 1.0052 | 1.9072 | 0 | -0.3894 | 0 | 9.1324 | 0 | 0 | 0 | 0 | 0 | 0 | 6.2213 | 5.5038 | 2.7417 | 0 | 0 | 0 | 0 | 0 | 15.9161 | 0 | 6.7578 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 138 | 368 | 170 | 392 | 44 | 18.780642 | 1.986755 | 2.119596 | 0.230752 | 1,335 | 4.45 | 23.384176 | 22 | 2.392629 | 0.203128 | 66.143784 | 97.394447 | 116.27853 | 54 | 5,934 | 10,182 | 17.455999 | 9 | 6,202 | 17,919 | 106.8 | 70 | 920 | 76 | 24.767046 | 6.128798 | 2.456826 | 432 | 198 | 7.92 | 1.0624 | 13.586341 | 7.79831 | 5.873301 | 4.472998 | 2.872623 | 1.869369 | 0.543454 | 0.278511 | 0.143251 | 0.07455 | 0.038819 | 0.019887 | 1,027.2 | 101.1135 | 2.794738 | 900 | 0.835533 | 5 | 4 | 2.701389 | 1.518889 | 1.042222 | 0.705351 | 0.410608 | 0.147416 | 0.070015 | 0.004691 | 0.178571 | 0.097561 | 0.061395 | 0.033753 | 0.02316 | 0.019064 | 0.014665 | 0.007371 | 0.007002 | 0.002346 | 0.442542 | 4,381 | 60.076046 | 97.394447 | 76.124123 | 0 | 0 | 13 | 24 | 49 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1,044.0952 | 1,044.6461 | 1,044.1919 | 1,193.068 | 1,231.5724 | 2.009465 | 2.008479 | 2.009295 | 1.785206 | 1.736388 | 10 | 5 | 1 | 1.585498 | 17.440947 | 12.125864 | 10.944652 | 10.116127 | 7.685167 | 6.024664 | 17.440947 | 12.125864 | 10.944652 | 10.116127 | 7.685167 | 5.333098 | 0.697638 | 0.433067 | 0.266943 | 0.168602 | 0.103854 | 0.063489 | 3.52902 | 226.90195 | 18.367348 | 7.552647 | 6 | 5.548884 | 0.588264 | 0.371551 | 0.211817 | 0.120707 | 57.75 | 0 | 0 | 2 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 25 | 28 | 22 | 22 | 4 | 4 | 1 | 1 | 40 | -18 | 0.88 | -1.636364 | 0.181818 | 367.76639 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 367.76639 | 25.618038 | 53.953518 | 98.480621 | 53.216599 | 18.911983 | 0 | 0 | 0 | 0 | 117.58562 | 8.761539 | 40.23315 | 9.706819 | 0.447259 | 0 | 25.739992 | 41.568829 | 68.990173 | 119.47068 | 41.596039 | 3.271739 | 7.98017 | 0 | 0 | 1,060 |
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C | BACE_1056 | 0 | Test | 6.21467 | 445.56509 | 3.3656 | 2 | 3 | 9 | 32 | 2 | 2 | 3 | 65.940002 | 78.167999 | 120.7992 | 55.167999 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 5 | 0 | 0 | 7 | 2 | 0 | 0 | 1 | 5 | 0 | 2 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 19.201401 | 0 | 14.7325 | 0 | 0 | 26.0669 | 2.3543 | 0 | 0 | 1.315 | 9.53 | 0 | 3.6993 | 0 | 0 | 5.4405 | 0 | 5.693 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 17.561199 | 16.1957 | 0 | 0 | 0 | 0 | 34.306301 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4.8003 | 0 | 2.9465 | 0 | 0 | 3.7238 | 1.1772 | 0 | 0 | 1.315 | 1.906 | 0 | 1.8496 | 0 | 0 | 5.4405 | 0 | 5.693 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 17.561199 | 16.1957 | 0 | 0 | 0 | 0 | 17.1532 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 168 | 417 | 194 | 380 | 48 | 21.265547 | 1.761468 | 1.943613 | 0.216851 | 3,109 | 6.268145 | 29.7815 | 23 | 2.843946 | 0.227291 | 9,704.415 | 127.95222 | 168.06781 | 70 | 12,936 | 20,945 | 30.5625 | 12 | 13,014 | 33,192 | 194.3125 | 139 | 1,770 | 110 | 45.09705 | 5.607863 | 2.338168 | 754 | 363 | 11.34375 | 1.65625 | 19.420427 | 11.339794 | 10.136509 | 6.000123 | 4.597575 | 2.932635 | 0.606888 | 0.333523 | 0.20273 | 0.105265 | 0.062129 | 0.037122 | 2,789 | 146.86282 | 5.633584 | 144 | 1.00057 | 10.5 | 4 | 2.875 | 1.884445 | 1.625 | 0.877551 | 0.748264 | 0.452507 | 0.328125 | 0.260484 | 0.308824 | 0.083333 | 0.059896 | 0.039259 | 0.033854 | 0.017909 | 0.017401 | 0.011313 | 0.009375 | 0.007893 | 0.581164 | 14,264 | 73.266663 | 127.95222 | 93.612694 | 0 | 0 | 18 | 4 | 14 | 0 | 0 | 28 | 0 | 0 | 0 | 5 | 0 | 0 | 30 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2,695.0178 | 2,698.1489 | 2,693.1885 | 3,271.7498 | 3,441.2183 | 1.823233 | 1.821302 | 1.824051 | 1.514615 | 1.44497 | 14 | 7 | 1 | 1.590453 | 23.518297 | 14.981819 | 15.067169 | 10.17267 | 8.736777 | 5.867574 | 23.518297 | 14.981819 | 15.067169 | 10.17267 | 8.273389 | 5.867574 | 0.734947 | 0.440642 | 0.301343 | 0.178468 | 0.118191 | 0.074273 | 4.113893 | 284.71906 | 26.486465 | 12.027878 | 11.248929 | 9.955499 | 0.598239 | 0.322828 | 0.165829 | 0.091817 | 78.166664 | 0 | 1 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 32 | 34 | 16 | 16 | 3 | 3 | 1 | 1 | 29 | -13 | 0.5 | -1.625 | 0.1875 | 600.64093 | 1.780932 | 0 | 0 | 0 | 0 | 0 | 0 | 598.85999 | 75.057495 | 63.613689 | 68.80648 | 0 | 7.938765 | 11.360349 | 0 | 0 | 35.550434 | 338.31369 | 18.41943 | 24.717337 | 35.550434 | 0 | 0 | 56.657166 | 32.09779 | 260.85696 | 108.20742 | 23.302103 | 7.98017 | 8.188327 | 0 | 24.663788 | 1,056 |
Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1 | BACE_1054 | 0 | Test | 6.221849 | 490.45459 | 4.0317 | 1 | 1 | 4 | 32 | 0 | 4 | 5 | 36.919998 | 62.917 | 131.49271 | 62.148998 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 0 | 0 | 14 | 4 | 0 | 0 | 1 | 4 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 15.1944 | 0 | 0 | 55.6675 | 8.0116 | 0 | 0 | 2.1476 | 11.4486 | 0 | 0 | 0 | 0 | 5.0645 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4.6395 | 0 | 0 | 0 | 0 | 0 | 19.2384 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.0389 | 0 | 0 | 3.9763 | 2.0029 | 0 | 0 | 2.1476 | 2.8622 | 0 | 0 | 0 | 0 | 5.0645 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4.6395 | 0 | 0 | 0 | 0 | 0 | 19.2384 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 172 | 332.06723 | 206 | 360.03705 | 53 | 24.849066 | 2.086957 | 2.173923 | 0.200606 | 2,835 | 5.715726 | 29.375582 | 25 | 2.853024 | 0.205541 | 34.278275 | 134.7361 | 165.01796 | 65.75 | 12,638 | 17,516.555 | 30.511719 | 10 | 13,609 | 25,899.777 | 177.1875 | 121 | 1,798 | 128 | 20.588259 | 7.012939 | 1.347345 | 763 | 345 | 10.78125 | 1.558594 | 18.238615 | 11.685629 | 9.084677 | 7.289661 | 5.252711 | 3.500132 | 0.569957 | 0.324601 | 0.181694 | 0.104138 | 0.058363 | 0.034315 | 2,212.5 | 226.34991 | 3.903173 | 6,480 | 0.973802 | 4 | 3.777778 | 1.993056 | 1.577778 | 1.378889 | 0.79102 | 0.459219 | 0.318476 | 0.225316 | 0.122543 | 0.111111 | 0.075556 | 0.037605 | 0.029218 | 0.024623 | 0.014925 | 0.009372 | 0.007077 | 0.00609 | 0.004539 | 0.315576 | 11,811 | 77.963646 | 134.7361 | 104.30846 | 0 | 0 | 14.625 | 4 | 6 | 0 | 0 | 0 | 0 | 11 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2,439.4631 | 2,462.0906 | 2,439.0388 | 2,805.7725 | 2,896.3701 | 1.495272 | 1.485036 | 1.495414 | 1.290905 | 1.247659 | 14 | 7 | 1 | 1.302263 | 22.915638 | 16.297697 | 14.481929 | 12.987621 | 10.700608 | 7.513555 | 21.915638 | 15.720346 | 13.740347 | 12.270794 | 10.082623 | 6.626341 | 0.684864 | 0.436676 | 0.274807 | 0.175297 | 0.112029 | 0.068313 | 4.244546 | 311.58438 | 24.47278 | 11.675921 | 9.754492 | 8.929445 | 0.575335 | 0.350228 | 0.200016 | 0.112018 | 62.916668 | 0 | 0 | 1 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 32 | 36 | 29 | 29 | 5 | 5 | 1 | 1 | 53 | -24 | 0.90625 | -1.655173 | 0.172414 | 539.74158 | 1.780932 | 0 | 0 | 0 | 0 | 0 | 0 | 537.96069 | 26.012583 | 120.11996 | 50.582294 | 0 | 7.938765 | 0.383005 | 0 | 0 | 0 | 334.70499 | 1.780932 | 17.938335 | 0.704958 | 0 | 0 | 142.17058 | 23.725449 | 105.78133 | 214.99606 | 0 | 0 | 7.98017 | 0 | 24.663788 | 1,054 |
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1 | BACE_1051 | 0 | Test | 6.229148 | 452.93481 | 6.176 | 3 | 1 | 6 | 33 | 0 | 0 | 5 | 65.959999 | 70.113998 | 129.3588 | 65.531998 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 17 | 0 | 0 | 0 | 0 | 9 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.0237 | 0 | 0 | 56.978699 | 0 | 0 | 0 | 0 | 17.4755 | 0 | 0 | 0 | 9.1194 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 11.6575 | 0 | 0 | 3.7383 | 0 | 0 | 0 | 0 | 7.7431 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.0636 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.0237 | 0 | 0 | 3.3517 | 0 | 0 | 0 | 0 | 1.9417 | 0 | 0 | 0 | 9.1194 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5.8287 | 0 | 0 | 3.7383 | 0 | 0 | 0 | 0 | 7.7431 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.0636 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 176 | 421.60495 | 207 | 473.11111 | 51 | 25.542213 | 2.084211 | 2.168437 | 0.197866 | 3,335 | 6.316288 | 30.634441 | 25 | 2.917703 | 0.223119 | 43.874821 | 136.56746 | 174.40723 | 69.333336 | 14,803 | 23,313.111 | 37.768597 | 10 | 15,948 | 39,017 | 202.12122 | 136 | 2,182 | 169 | 19.61488 | 2.430975 | 1.168414 | 876 | 397 | 12.030303 | 1.908173 | 17.727264 | 10.513947 | 7.532951 | 5.31441 | 3.629319 | 2.064292 | 0.53719 | 0.284161 | 0.147705 | 0.078153 | 0.041716 | 0.021281 | 2,557.5334 | 254.15633 | 4.084929 | 6,480 | 0.852482 | 5.5 | 3.111111 | 2.034722 | 1.627778 | 0.9975 | 0.755873 | 0.464427 | 0.413958 | 0.241258 | 0.1556 | 0.148649 | 0.061002 | 0.039897 | 0.03322 | 0.019183 | 0.014821 | 0.009106 | 0.009408 | 0.006702 | 0.005985 | 0.341987 | 15,546 | 78.604515 | 136.56746 | 102.74532 | 0 | 0 | 15.916667 | 48 | 30 | 0 | 0 | 0 | 34 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2,430.1514 | 2,446.4258 | 2,430.2104 | 3,259.4041 | 3,446.7476 | 1.655564 | 1.646862 | 1.655463 | 1.24956 | 1.183208 | 15 | 8 | 0.875 | 1.211296 | 23.122746 | 16.458511 | 14.75935 | 12.558221 | 10.407157 | 7.101366 | 22.622746 | 16.169836 | 14.388558 | 12.199807 | 10.098165 | 6.54805 | 0.685538 | 0.437023 | 0.282129 | 0.179409 | 0.116071 | 0.071174 | 4.449408 | 314.07925 | 25.119978 | 12.129059 | 11.370138 | 9.232779 | 0.575902 | 0.33445 | 0.186533 | 0.105094 | 70.111115 | 0 | 0 | 1 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 33 | 37 | 29 | 29 | 5 | 5 | 1 | 1 | 53 | -24 | 0.878788 | -1.655173 | 0.172414 | 486.07666 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 486.07666 | 6.176333 | 141.55301 | 60.479572 | 31.343485 | 3.611739 | 12.047346 | 13.584602 | 0 | 7.026261 | 210.2543 | 9.198779 | 22.294813 | 9.441768 | 0 | 0 | 78.387062 | 79.176308 | 30.015312 | 230.46463 | 27.097986 | 0 | 0 | 0 | 0 | 1,051 |
Clc1cc2CC(N=C(NC(Cc3cscc3CCC3CC3)C(=O)[O-])c2cc1)(C)C | BACE_1046 | 0 | Test | 6.244125 | 429.9827 | 5.6775 | 1 | 0 | 8 | 29 | 0 | 1 | 4 | 92.760002 | 64.528999 | 112.3445 | 51.591 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 5 | 0 | 0 | 5 | 2 | 0 | 0 | 2 | 5 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 9.1643 | 0 | 14.3017 | 0 | 0 | 17.822001 | 3.2024 | 0 | 0 | 1.4567 | 11.9426 | 0 | 1.1133 | 0 | 0 | 0 | 0 | 5.5135 | 0 | 0 | 0 | 7.3445 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 14.9569 | 20.2108 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.8435 | 0 | 0 | 0 | 0 | 7.8806 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4.5821 | 0 | 2.8603 | 0 | 0 | 3.5644 | 1.6012 | 0 | 0 | 0.7284 | 2.3885 | 0 | 1.1133 | 0 | 0 | 0 | 0 | 5.5135 | 0 | 0 | 0 | 7.3445 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 14.9569 | 20.2108 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.8435 | 0 | 0 | 0 | 0 | 7.8806 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 158 | 331.04938 | 185 | 336.11111 | 43 | 20.977865 | 1.901639 | 2.061378 | 0.218333 | 2,287 | 5.633005 | 27.338659 | 24 | 2.839728 | 0.225332 | 803.67902 | 113.57575 | 146.20004 | 61.333332 | 10,025 | 13,879.333 | 24.511295 | 11 | 10,562 | 19,762.037 | 157.72414 | 110 | 1,384 | 119 | 29.589201 | 4.967951 | 2.772281 | 682 | 313 | 10.793103 | 1.552913 | 16.834015 | 10.20579 | 8.875486 | 5.813464 | 4.11044 | 2.80165 | 0.580483 | 0.318931 | 0.18884 | 0.100232 | 0.056307 | 0.031129 | 1,944.4952 | 166.26204 | 4.68343 | 525 | 0.956793 | 8 | 3.611111 | 2.291667 | 1.883889 | 1.378333 | 0.903764 | 0.495642 | 0.412691 | 0.23689 | 0.112027 | 0.25 | 0.082071 | 0.053295 | 0.043811 | 0.029964 | 0.018828 | 0.013396 | 0.012506 | 0.007642 | 0.00659 | 0.511512 | 9,513 | 67.154922 | 113.57575 | 92.94606 | 0 | 0 | 14.361111 | 2 | 16 | 12 | 0 | 0 | 12 | 0 | 0 | 2 | 12 | 0 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 11 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1,929.0253 | 1,953.7643 | 1,928.8538 | 2,312.575 | 2,396.313 | 1.637874 | 1.620016 | 1.637915 | 1.360374 | 1.310347 | 14 | 7 | 1 | 1.38274 | 21.449202 | 14.593139 | 14.49569 | 11.070617 | 8.819616 | 7.339547 | 20.595648 | 13.804463 | 13.62199 | 9.658598 | 8.132699 | 6.020229 | 0.710195 | 0.431389 | 0.28983 | 0.175611 | 0.111407 | 0.071669 | 4.018991 | 259.49844 | 23.125431 | 11.197219 | 10.889549 | 8.928983 | 0.598071 | 0.330769 | 0.175705 | 0.107771 | 64.027779 | 1 | 0 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 29 | 32 | 18 | 20 | 4 | 2 | 0.5 | 2 | 38 | -18 | 0.62069 | -2 | 0.111111 | 491.21674 | 44.687962 | 0 | 0 | 0 | 0 | 0 | 0 | 446.52878 | 61.888519 | 18.687643 | 62.491962 | 34.308605 | 17.645584 | 1.91697 | 0 | 0 | 0 | 294.27744 | 43.075066 | 16.485821 | 0 | 15.935058 | 0 | 44.385799 | 76.002914 | 212.46591 | 65.778908 | 17.087252 | 0 | 0 | 0 | 0 | 1,046 |
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