Index,mol,P (DILI=Negative),P (DILI=Positive),Prediction (DILI),True_Class_vDILIConcern,Binary_characterization,LTKBID,PubChem_CID,LabelCompoundName,ApprovalYear,DILIConcern,SeverityClass,LabelSection,AdjudicatedDILI,vDILIConcern,SMILES,URL (accessed on 1/21/2016),VER_DISP (1=LTKB-BD  2=others),apol,ast_fraglike,ast_fraglike_ext,ast_violation,ast_violation_ext,a_acc,a_acid,a_aro,a_base,a_count,a_don,a_donacc,a_heavy,a_hyd,a_IC,a_ICM,a_nB,a_nBr,a_nC,a_nCl,a_nF,a_nH,a_nI,a_nN,a_nO,a_nP,a_nS,balabanJ,BCUT_PEOE_0,BCUT_PEOE_1,BCUT_PEOE_2,BCUT_PEOE_3,BCUT_SLOGP_0,BCUT_SLOGP_1,BCUT_SLOGP_2,BCUT_SLOGP_3,BCUT_SMR_0,BCUT_SMR_1,BCUT_SMR_2,BCUT_SMR_3,bpol,b_1rotN,b_1rotR,b_ar,b_count,b_double,b_heavy,b_max1len,b_rotN,b_rotR,b_single,b_triple,chi0,chi0v,chi0v_C,chi0_C,chi1,chi1v,chi1v_C,chi1_C,chiral,chiral_u,density,diameter,FCharge,GCUT_PEOE_0,GCUT_PEOE_1,GCUT_PEOE_2,GCUT_PEOE_3,GCUT_SLOGP_0,GCUT_SLOGP_1,GCUT_SLOGP_2,GCUT_SLOGP_3,GCUT_SMR_0,GCUT_SMR_1,GCUT_SMR_2,GCUT_SMR_3,Kier1,Kier2,Kier3,KierA1,KierA2,KierA3,KierFlex,lip_acc,lip_don,lip_druglike,lip_violation,logP(o/w),logS,mr,mutagenic,nmol,opr_brigid,opr_leadlike,opr_nring,opr_nrot,opr_violation,PC+,PC-,PEOE_PC+,PEOE_PC-,PEOE_RPC+,PEOE_RPC-,PEOE_VSA+0,PEOE_VSA+1,PEOE_VSA+2,PEOE_VSA+3,PEOE_VSA+4,PEOE_VSA+5,PEOE_VSA+6,PEOE_VSA-0,PEOE_VSA-1,PEOE_VSA-2,PEOE_VSA-3,PEOE_VSA-4,PEOE_VSA-5,PEOE_VSA-6,PEOE_VSA_FHYD,PEOE_VSA_FNEG,PEOE_VSA_FPNEG,PEOE_VSA_FPOL,PEOE_VSA_FPOS,PEOE_VSA_FPPOS,PEOE_VSA_HYD,PEOE_VSA_NEG,PEOE_VSA_PNEG,PEOE_VSA_POL,PEOE_VSA_POS,PEOE_VSA_PPOS,petitjean,petitjeanSC,Q_PC+,Q_PC-,Q_RPC+,Q_RPC-,Q_VSA_FHYD,Q_VSA_FNEG,Q_VSA_FPNEG,Q_VSA_FPOL,Q_VSA_FPOS,Q_VSA_FPPOS,Q_VSA_HYD,Q_VSA_NEG,Q_VSA_PNEG,Q_VSA_POL,Q_VSA_POS,Q_VSA_PPOS,radius,reactive,rings,RPC+,RPC-,rsynth,SlogP,SlogP_VSA0,SlogP_VSA1,SlogP_VSA2,SlogP_VSA3,SlogP_VSA4,SlogP_VSA5,SlogP_VSA6,SlogP_VSA7,SlogP_VSA8,SlogP_VSA9,SMR,SMR_VSA0,SMR_VSA1,SMR_VSA2,SMR_VSA3,SMR_VSA4,SMR_VSA5,SMR_VSA6,SMR_VSA7,TPSA,VAdjEq,VAdjMa,VDistEq,VDistMa,vdw_area,vdw_vol,vsa_acc,vsa_acid,vsa_base,vsa_don,vsa_hyd,vsa_other,vsa_pol,Weight,weinerPath,weinerPol,zagreb,ABCG2_Inhib,ABCB1_Inhib,BSEP_Inhib,OATP1B1_Sum_Binary,OATP1B3_Sum_Binary,Transporter_binary_score,Transporter_Sum_float,Binary_Characterization
1,OC1=C2[C@H](C[C@@H]3[C@@](O)(C(=O)\C(=C(/O)\N)\C(=O)[C@H]3N(C)C)C2=O)[C@](O)(c2c1c(O)ccc2)C,0.14,0.86000001,Positive,Positive,1,LT00036,5353990,tetracycline,1953,Less-DILI-Concern,2,Warnings and precautions,Yes,vLess-DILI-Concern,OC12C(CC3C(C1=O)=C(O)c1c(cccc1O)C3(O)C)C(N(C)C)C(=O)/C(=C(/O)\N)/C2=O,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=eaa5b1bd-0927-46e4-b941-32fcc492d258,1,62.672237,0,0,3,4,5,3,6,1,55,4,9,32,17,89.825363,1.6331885,0,0,22,0,0,23,0,2,8,0,0,1.8234035,-2.7910974,-0.6822902,0.58946145,2.8804505,-3.4885314,-0.67903692,0.56729031,2.822793,-2.5837584,-0.51236397,0.84055239,3.0874395,30.593761,1,0.028571429,6,58,5,35,4,1,0.028571429,47,0,23.911331,17.631441,13.171208,14.333981,14.772521,10.067339,6.7985473,8.2430353,5,5,0.82106972,11,-1,-1.0511914,-0.46553996,0.058787677,3.1349087,-2.2598915,-0.41747648,0.061907243,3.0980945,-0.6304093,-0.25108626,0.19428097,3.3684063,25.103674,8.2936983,3.3703513,19.826143,6.4972134,2.6252315,4.0254588,10,6,1,1,0.072999999,-2.8880301,10.874104,0,1,22,0,4,2,2,0,0,3.4682586,-4.4682584,0.10049488,0.18538813,29.857702,95.532913,4.2653861,11.60448,47.889557,0,8.6190128,63.567539,37.459339,8.458519,0,0,40.700764,57.087582,0.61906022,0.51173294,0.2414272,0.38093978,0.48826706,0.1395126,250.74588,207.27374,97.788345,154.29692,197.76904,56.508572,0.45454547,0.83333331,0,0,0,0,1,0,0,0,1,0,405.04279,0,0,0,405.04279,0,6,0,4,0,0,0.3125,-1.7316,112.17718,17.062834,160.9353,0,15.192742,72.165527,0,52.929554,18.868406,38.569443,10.54675,160.07765,76.155678,8.8215923,21.967697,32.897186,71.797958,17.062834,99.120392,188.48,0.3597711,6.129283,3.1898572,9.7707081,405.04279,540.06622,67.834602,40.700764,0,17.742489,188.85066,46.783607,126.27785,443.43198,2350,76,186,0.094117299,0.29538062,0,0,0,0,0.3894979208713001,1
2,OC1=C2[C@@H]([C@H](c3c1c(O)ccc3)C)[C@H](O)[C@@H]1[C@@](O)(C(=O)\C(=C(/O)\N)\C(=O)[C@H]1N(C)C)C2=O,0.16,0.83999997,Positive,Positive,1,LT00393,5281011,doxycycline,1967,Less-DILI-Concern,3,Adverse reactions,Yes,vLess-DILI-Concern,OC1=C2[C@@H]([C@H](c3c1c(O)ccc3)C)[C@H](O)[C@@H]1[C@@](O)(C(=O)\C(=C(/O)\N)\C(=O)[C@H]1N(C)C)C2=O,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=4ae0ff63-c577-478e-9fa0-b7c22a8e7de4,1,62.672237,0,0,3,4,5,3,6,1,55,4,9,32,17,89.825363,1.6331885,0,0,22,0,0,23,0,2,8,0,0,1.8368785,-2.7891707,-0.66101736,0.59483951,2.8918738,-3.4900918,-0.59827036,0.55855238,2.7706819,-2.5857728,-0.46572137,0.79474336,3.0913367,30.593761,1,0.028571429,6,58,5,35,4,1,0.028571429,47,0,23.858925,17.579035,13.118802,14.281574,14.866709,10.112784,6.809401,8.2598724,6,6,0.82106972,11,-1,-1.0512425,-0.47808006,0.064106636,3.1408823,-2.2598999,-0.44397187,0.060066197,3.0747466,-0.63044471,-0.23998404,0.18620381,3.3725796,25.103674,8.5872574,3.3703513,19.826143,6.7271857,2.6252315,4.167942,10,6,1,1,-0.31799999,-2.93574,10.89665,0,1,22,0,4,2,2,0,0,3.5125821,-4.5125818,0.099227034,0.18356737,25.592316,104.70322,4.2653861,11.60448,47.889557,0,8.6190128,36.118549,56.207016,8.458519,0,0,40.700764,57.087582,0.61545599,0.49488899,0.24371146,0.38454404,0.50511104,0.14083259,246.94949,198.57243,97.788345,154.29692,202.67398,56.508572,0.45454547,0.83333331,0,0,0,0,1,0,0,0,1,0,401.2464,0,0,0,401.2464,0,6,0,4,0,0,0.3125,-2.1763,112.17718,17.062834,167.40395,0,15.192742,72.165527,4.4107962,52.929554,0,38.569443,10.55845,160.07765,76.155678,8.8215923,32.847141,32.897186,52.929554,17.062834,99.120392,188.48,0.3597711,6.129283,3.1767395,9.7729616,401.2464,540.06622,67.834602,40.700764,0,17.742489,183.70923,46.783607,126.27785,443.43198,2336,76,184,0.10434086,0.32767642,0,0,0,0,0.4320172742,1
3,OC(=O)[C@@H](N(Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(=O)CCCC)C(C)C,0.36333334,0.63666666,Positive,Positive,1,LT01857,60846,valsartan,1996,Less-DILI-Concern,3,Adverse reactions,Yes,vLess-DILI-Concern,OC(=O)[C@@H](N(Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(=O)CCCC)C(C)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=5ddba454-f3e6-43c2-a7a6-58365d297213,2,68.149414,0,0,1,3,1,6,17,0,59,0,1,32,21,92.290352,1.5642432,0,0,24,0,0,27,0,5,3,0,0,1.5884377,-2.6872454,-0.55608302,0.57194895,2.6446598,-2.7446983,-0.50466198,0.64139414,2.6920624,-2.4204662,-0.40353647,0.74712944,2.9098666,35.69059,11,0.32352942,17,61,2,34,6,11,0.32352942,42,0,23.087212,18.562742,15.10193,16.681435,15.417923,10.797259,8.3396397,10.29446,1,1,0.73264003,15,-2,-0.88523608,-0.42456573,0.034747534,2.7663832,-1.4901419,-0.3275328,0.084576443,2.8526061,-0.53175259,-0.20503172,0.1835968,3.0428381,26.602076,13.185255,7.25,19.730377,9.6783104,5.282795,5.9673972,8,0,1,0,4.9070001,-6.7386398,12.351348,0,1,17,1,3,10,0,0,0,1.5926188,-3.5926189,0.1408364,0.15244415,92.348351,75.964272,0,0,12.949531,0,0,15.326932,162.98358,0,0,0,58.728004,27.133842,0.77816856,0.59306663,0.19275975,0.22183144,0.40693334,0.029071683,346.62314,264.17236,85.861847,98.811378,181.26215,12.949531,0.46666667,0.875,0,0,0,0,1,0,0,0,1,0,445.43451,0,0,0,445.43451,0,8,0,3,0,0,1,2.7225001,59.223827,59.713604,51.706402,0,7.5963712,0,0,153.03012,56.605217,118.41763,11.7932,90.407776,69.531296,4.4107962,7.1675434,11.884645,216.19026,6.7227917,99.978043,99.110001,0.35236704,6.0874629,3.6993654,9.7124567,445.43451,591.7121,85.861847,72.29493,0,0,300.16055,38.848595,85.861847,433.51199,3122,49,160,0.073640838,0.68740588,0.69999999,3,2,0,0.14799738163081,1
4,OC(=O)CC1(CCCCC1)CN,0.60000002,0.40000001,Negative,Positive,1,LT00300,3446,gabapentin,1993,Less-DILI-Concern,3,Warnings and precautions,Yes,vLess-DILI-Concern,OC(=O)CC1(CCCCC1)CN,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=cff7de45-148b-4e96-88fd-6052bf75b5f7,2,29.87948,1,0,0,1,0,2,0,1,29,0,0,12,8,40.865257,1.4091468,0,0,9,0,0,17,0,1,2,0,0,2.4815419,-2.8394556,-0.35769007,0.34494817,2.8143873,-3.2983809,-0.27927497,0.2142,2.9015818,-2.6036167,0.032090001,0.13630791,3.0504284,19.180519,3,0.25,0,29,1,12,5,3,0.25,28,0,9.0270977,7.473351,5.9497476,6.0270977,5.684269,4.6760154,3.767767,3.8224618,0,0,0.70258993,6,0,-0.86288625,-0.36505058,0.14982457,2.6829493,-2.2350252,-0.2670356,0.054200001,2.7259603,-0.64217442,-0.12858172,-0.054299999,2.8842585,10.083333,4.296875,2.7777777,9.3023129,3.932668,2.5264907,3.0485756,3,3,1,0,1.119,-1.4446501,4.7595859,0,1,6,1,1,5,0,0,0,1.7039205,-1.7039205,0.20244382,0.32266739,65.893135,21.723097,0,0,0,0,25.857038,26.103939,26.103939,0,0,0,0,28.239277,0.72103858,0.41484621,0.14562301,0.27896142,0.58515376,0.13333841,139.82411,80.447159,28.239277,54.096313,113.47327,25.857038,0.5,1,0,0,0,0,1,0,0,0,1,0,193.92043,0,0,0,193.92043,0,3,0,1,0,0,0,-0.68120003,75.580528,1.4640081,23.862217,18.439579,0,0,0,0,113.21043,0,4.28971,66.545563,0,32.897186,0,0,113.21043,19.903585,0,67.769997,0.65002245,4.5849624,2.4121423,6.8762913,193.92043,243.72681,27.133842,27.133842,17.742489,17.742489,115.15047,14.708499,44.876331,171.23999,193,15,56,0.14520067,0.0027967119,0,0,0,0,0.12439775885978,1
5,Clc1nc(C(=O)\N=C(\N)/N)c(nc1N)N,0.46000001,0.54000002,Positive,Positive,1,LT02070,16231,amiloride,1981,Less-DILI-Concern,3,Adverse reactions,Yes,vLess-DILI-Concern,Clc1nc(C(=O)N=C(N)N)c(nc1N)N,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=135f9cb8-17b6-e99a-57c3-2d992eddb8ef,2,26.576344,0,0,2,3,4,0,6,0,23,4,8,15,2,44.880665,1.9513333,0,0,6,1,0,8,0,7,1,0,0,2.5567071,-2.2103117,-0.5756889,0.51229888,2.2072926,-2.6488049,-0.45436931,0.58065492,2.2113018,-1.862542,-0.27937648,0.7646147,2.5074155,11.443656,2,0.13333334,6,23,2,15,2,2,0.13333334,15,0,11.585422,8.1931839,3,3.4641016,6.9135914,4.0174122,0.75,1,0,0,0.93784654,8,0,-0.83958071,-0.47107384,0.055645194,2.073786,-1.3840858,-0.42188233,0.18434298,2.0772519,-0.43320933,-0.1834901,0.28899521,2.3684659,13.066667,5.3650794,3.5,8.976737,3.5760517,2.2753899,2.140085,8,8,1,1,-0.68946999,-0.81276,5.1416969,1,1,7,1,1,1,1,0,0,2.247983,-2.247983,0.13425773,0.16448648,0,0,56.857178,65.867935,0,0,12.949531,0,29.581947,0,5.6825762,11.365152,26.86916,13.302238,0.71014327,0.39015976,0.23165023,0.28985673,0.60984021,0.058206491,157.98964,86.801071,51.536552,64.486084,135.67464,12.949531,0.5,1,0,0,0,0,1,0,0,0,1,0,222.47572,0,0,0,222.47572,0,4,0,1,0,0,1,-1.2920001,131.58875,40.728935,0,0,26.618963,16.78553,3.0717793,0,0,43.804485,5.6007099,23.862217,50.35659,0,5.8285265,70.450218,65.794373,7.1578765,39.148643,159.28999,0.56650949,4.9068904,2.7802076,7.5177655,222.47572,244.84923,30.614649,0,0,70.969955,36.281498,60.022987,101.58461,229.631,368,21,72,0.11724619,0.0071515706,0,0,0,0,0.2417114824056,1
6,s1c(cnc1N/C(/O)=C/1\N(S(=O)(=O)c2c(cccc2)C\1=O)C)C,0.079999998,0.92000002,Positive,Positive,1,LT00117,54677470,meloxicam,2000,Less-DILI-Concern,3,Warnings and precautions,Yes,vLess-DILI-Concern,s1c(cnc1NC(=O)C=1N(S(=O)(=O)c2c(cccc2)C=1O)C)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=06a401f0-4380-4081-86ed-a309a25abf6b,2,44.949516,0,0,2,3,4,1,11,0,35,1,5,23,12,68.447502,1.9556428,0,0,14,0,0,12,0,3,4,0,2,1.7472548,-2.4976926,-0.55320936,0.55157775,2.5220737,-2.5820446,-0.48663568,0.64804709,2.4680512,-2.1659896,-0.37081531,0.73071057,2.8643274,27.750484,2,0.079999998,11,37,2,25,2,2,0.079999998,24,0,16.775656,13.863662,8.3867512,9.5769854,10.819405,8.8117399,3.3660254,4.6354284,0,0,0.88777626,11,-1,-0.8905257,-0.45816329,0.022970052,2.4883597,-0.91809922,-0.41500446,0.13439144,2.52688,-0.4834781,-0.18499906,0.16558433,2.8025639,17.811199,6.7188368,3.2544379,15.004916,5.6135039,2.7020061,3.6621807,7,1,1,0,1.378,-3.68961,8.7268648,0,1,17,1,3,2,0,0,0,1.4399261,-2.4399261,0.20369698,0.15817255,69.52137,28.026482,2.2085397,28.219137,0,4.1846013,0,54.241272,58.606949,0,0,32.016521,13.566921,19.386389,0.77690548,0.57364696,0.20959486,0.22309452,0.42635301,0.013499664,240.82375,177.81805,64.969833,69.154434,132.16013,4.1846013,0.45454547,0.83333331,0,0,0,0,1,0,0,0,1,0,309.97818,0,0,0,309.97818,0,6,0,3,0,0,1,1.98002,0,90.174141,49.324085,0,28.406193,37.20467,0,87.787094,0,65.104446,8.3907499,114.71725,18.30409,1.5507339,7.3007236,18.511497,87.787094,5.6876111,104.14163,102.43,0.45137304,5.643856,3.160224,8.7701368,309.97818,394.69293,64.832939,13.566921,0,5.6825762,183.8793,44.680283,70.515518,350.39899,1115,41,126,0.022289604,0.21942188,0,0,0,0,0.1388664357365,1
7,S(OC[C@]12OC(O[C@H]1[C@@H]1OC(O[C@@H]1CO2)(C)C)(C)C)(=O)(=O)N,0.50999999,0.49000001,Negative,Positive,1,LT00455,5284627,topiramate,1996,Less-DILI-Concern,3,Adverse reactions,Yes,vLess-DILI-Concern,S(OC[C@]12OC(O[C@H]1[C@@H]1OC(O[C@@H]1CO2)(C)C)(C)C)(=O)(=O)N,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=a48b6716-cf81-e694-c0c7-92c87e9d37ce,2,45.538654,0,0,2,3,8,0,0,0,43,1,9,22,9,74.071167,1.7225853,0,0,12,0,0,21,0,1,8,0,1,1.8424618,-2.6616616,-0.18403573,0.09222462,2.8872013,-2.8602803,-0.3339,0.2142,2.734916,-2.4747906,0.077739999,0.10756686,3.0748906,40.269348,3,0.125,0,45,0,24,5,3,0.125,45,0,16.388905,13.714346,8.6462641,8.6462641,9.9167624,8.4334526,3.7171435,3.7171435,4,4,0.88840181,9,0,-0.78968227,-0.31608006,-0.067775376,2.8941009,-1.3482965,-0.38210589,-0.037,2.815196,-0.53128737,-0.11297636,-0.054299999,3.0873015,16.84375,4.9970255,3.2986112,18.056641,5.375,3.5568035,4.4115658,9,2,1,0,1.4859999,-2.6786301,7.2926731,0,1,14,1,3,3,1,0,0,2.2268438,-2.2268438,0.094607539,0.15414315,59.715405,53.516251,29.666079,2.2170887,16.214136,0,0,74.990707,32.016521,9.0437498,0,4.945097,0,12.518781,0.88577676,0.45283249,0.059230942,0.11422323,0.54716748,0.054992288,261.1658,133.51486,17.463877,33.678013,161.32896,16.214136,0.44444445,0.80000001,0,0,0,0,1,0,0,0,1,0,294.84381,0,0,0,294.84381,0,5,1,3,0,0,1,-0.39539999,31.291433,48.171688,91.295425,41.852516,0,0,0,0,0,133.30406,7.1604199,111.71654,0,0,19.405949,31.291433,0,41.852516,141.64868,115.54,0.46637034,5.5849624,2.9934089,8.6553698,294.84381,381.99493,49.4804,0,0,20.13512,187.12631,18.431225,69.615524,339.36499,948,35,130,0.082067475,0.056798961,0,0,0,0,0.6184014789759,1
8,S(=O)(=O)(N)c1ccc(cc1)-c1c(noc1C)-c1ccccc1,0.28,0.72000003,Positive,Positive,1,LT01971,119607,valdecoxib,2001,Less-DILI-Concern,3,Warnings and precautions,Yes,vLess-DILI-Concern,S(=O)(=O)(N)c1ccc(cc1)-c1c(noc1C)-c1ccccc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=caf64301-262c-45ca-acd1-a9d6696c584e,2,45.001102,0,0,1,2,3,0,17,0,36,1,4,22,15,62.059444,1.7238734,0,0,16,0,0,14,0,2,3,0,1,1.6262522,-2.3248777,-0.63312429,0.69089603,2.3700113,-2.5719004,-0.53807992,0.80591482,2.4725296,-1.9838425,-0.49986199,0.85906303,2.7246134,23.036898,3,0.125,17,38,0,24,3,3,0.125,21,0,15.742276,12.670206,9.1961527,10.828063,10.465345,8.1618347,5.2320509,7.3601732,0,0,0.79774082,11,0,-0.80107081,-0.39122307,0.068275489,2.485878,-1.3482711,-0.30995259,0.16445385,2.6154439,-0.48382166,-0.20816517,0.21060649,2.7791119,16.84375,6.8571429,3.7530863,13.288906,5.3445201,2.8994508,3.2283101,5,2,1,0,2.717,-5.3927898,8.5849533,0,1,17,1,3,3,0,0,0,1.4932313,-1.4932313,0.18876222,0.24022478,66.858139,40.597015,15.158071,0,0,4.1846013,0,45.466026,72.159782,0,9.0437498,32.016521,0,5.9023595,0.8555063,0.56484628,0.1301327,0.14449371,0.43515375,0.014361011,249.28278,164.58844,37.918884,42.103485,126.79783,4.1846013,0.45454547,0.83333331,0,0,0,0,1,0,0,0,1,0,291.38626,0,0,0,291.38626,0,6,0,3,0,0,1,2.9644201,31.291433,67.768288,6.6407428,0,5.4488211,11.284855,0,171.10213,0,33.326015,8.3485203,57.905807,19.596598,1.5507339,5.4488211,43.604908,158.78867,0,39.966759,86.190002,0.46637034,5.5849624,3.2458782,8.621172,291.38626,394.06909,42.901787,0,0,20.13512,189.19467,24.466488,63.036903,314.36499,1057,34,118,0.046438318,0.27196315,0.30000001,0,0,0,0.1351218633353,1
9,S(=O)(=O)(N(C)c1nc(-c2ccc(F)cc2)c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(n1)C(C)C)C,0.15000001,0.85000002,Positive,Positive,1,LT01928,6439133,rosuvastatin,2003,Less-DILI-Concern,3,Warnings and precautions,Yes,vLess-DILI-Concern,S(=O)(=O)(N(C)c1nc(-c2ccc(F)cc2)c(\C=C\[C@H](O)C[C@@H](O)CC(O)=O)c(n1)C(C)C)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=bb0f3b5e-4bc6-41c9-66b9-6257e2513512,2,69.625999,0,0,2,4,6,2,12,0,62,2,8,33,21,109.90656,1.7726865,0,0,22,0,1,29,0,3,6,0,1,2.1676097,-2.6654396,-0.56080991,0.54440445,2.6561093,-2.6932251,-0.50324309,0.54790062,2.6771533,-2.4289787,-0.37306702,0.69891226,2.8924837,45.918003,11,0.32352942,12,63,1,34,7,11,0.32352942,50,0,24.921921,19.84165,14.369879,15.430357,15.28962,12.306186,6.8548427,8.0705166,2,2,0.80306017,14,-1,-0.85014904,-0.40611812,0.048204336,2.8336771,-1.4898061,-0.3975524,0.05032216,2.9164708,-0.53002709,-0.19674611,0.16230597,3.1154003,29.231834,12.807997,8.8642664,24.934311,10.868161,7.4932246,8.2118216,9,2,1,0,1.529,-4.3818302,12.296801,0,1,12,0,2,10,2,0,0,2.4893689,-3.4893689,0.085234605,0.15754551,139.10703,35.402172,21.817003,10.105608,41.372086,0,0,68.429932,94.021683,0,0,11.908636,0,54.034073,0.77464259,0.47962028,0.13847744,0.2253574,0.52037972,0.086879961,368.88342,228.39433,65.942711,107.3148,247.80389,41.372086,0.5,1,0,0,0,0,1,0,0,0,1,0,476.19821,0,0,0,476.19821,0,7,0,2,0,0,1,0.98637003,94.972359,83.206757,52.561275,0,5.9423227,83.456764,4.4107962,76.51506,56.605217,83.511238,11.93374,114.71725,99.301628,10.639579,23.290417,7.8414154,146.04636,1.4640081,137.88113,143.75,0.33706582,6.0874629,3.6391225,9.8270016,476.19821,600.8927,70.515518,27.133842,0,0,308.44006,40.495682,97.649361,482.55298,3228,51,166,0.081267335,0.52071762,0.69999999,2,2,0,0.1216015331451,1
10,s1c(nnc1SCC=1CS[C@H]2N(C=1C(O)=O)C(=O)[C@H]2NC(=O)Cn1nnnc1)C,0.34,0.66000003,Positive,Positive,1,LT01171,656510,cefazolin,1973,Less-DILI-Concern,3,Adverse reactions,Yes,vLess-DILI-Concern,s1c(nnc1SCC=1CSC2N(C=1C(O)=O)C(=O)[C@H]2NC(=O)Cn1nnnc1)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=a43260a4-f4ec-4331-aa80-02e584be7af5,2,54.016308,0,0,2,4,7,2,10,0,42,1,8,29,13,88.313759,2.1027086,0,0,14,0,0,13,0,8,4,0,3,1.3038719,-2.693891,-0.55462128,0.45797163,2.7301552,-2.8955569,-0.53909218,0.43863264,2.6225903,-2.4018812,-0.27619281,0.76499259,3.0196092,30.82369,7,0.21875,10,45,4,32,3,8,0.25,31,0,20.543242,17.291094,8.3533716,9.02458,13.935561,11.099367,2.6826687,3.1354284,2,2,0.96237308,16,-1,-0.83022439,-0.49701017,0.024197774,2.5572269,-1.4899576,-0.46172598,0.096499175,2.5399163,-0.52902377,-0.2144336,0.30213419,2.8630266,22.203125,9.6465025,4.9240375,19.049711,8.2289276,4.1826549,5.4054723,12,1,1,1,-0.73299998,-4.2224002,10.660954,0,1,19,0,4,7,2,0,0,2.2848907,-3.2848907,0.11123544,0.16533874,59.888065,49.121269,46.96262,8.6190128,32.710148,12.949531,0,47.275223,0,48.942276,18.842079,0,27.133842,27.270733,0.73647523,0.44629326,0.14327747,0.26352477,0.55370677,0.1202473,279.65054,169.46416,54.404575,100.06425,210.25064,45.659679,0.5,1,0,0,0,0,1,0,0,0,1,0,379.71481,0,0,0,379.71481,0,8,0,4,0,0,1,-1.70438,60.694096,99.952454,77.915749,34.467129,0.92957383,5.9423227,0,16.78553,0,147.48236,10.04497,114.26999,87.970879,18.01075,13.200993,0,35.225109,46.448704,129.04279,158.92,0.38828552,6,3.7308617,9.4040966,379.71481,471.23929,108.84981,27.133842,0,5.6825762,188.16946,65.398079,114.53239,453.508,2468,41,156,0.046428364,0.0886935,0,0,0,0,0.2994391843675001,1
11,ClC=1CS[C@H]2N(C=1C(O)=O)C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1,0.63,0.37,Negative,Positive,1,LT01166,40958,cefaclor,1979,Less-DILI-Concern,3,Adverse reactions,Yes,vLess-DILI-Concern,ClC=1CS[C@H]2N(C=1C(O)=O)C(=O)[C@H]2NC(=O)C(N)c1ccccc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=ac5e34a9-994b-4611-aa41-3d1ed58a91c0,2,47.323101,0,0,1,3,2,2,6,1,38,1,3,24,14,74.760033,1.9673692,0,0,15,1,0,14,0,3,4,0,1,1.5845311,-2.682864,-0.61320341,0.65795445,2.7322197,-3.2418931,-0.52069521,0.65599364,2.6036553,-2.4020402,-0.4276284,0.80604941,3.0123122,23.156898,4,0.15384616,6,40,4,26,3,5,0.1923077,30,0,17.430357,13.971861,8.3259087,9.4387932,11.413591,8.5725069,3.9635956,5.2247448,3,3,0.88888943,12,0,-0.84030402,-0.415968,0.14054547,2.5811839,-2.2262509,-0.387391,0.13215783,2.5213988,-0.64105022,-0.21174771,0.22412437,2.8392246,18.781065,7.7091413,3.6183696,15.760539,6.4170837,2.9944053,4.2140288,7,4,1,0,0.96100003,-4.0933399,9.0301485,0,1,15,1,3,4,0,0,0,3.1014411,-3.1014411,0.11149859,0.17510627,21.416687,55.7855,12.533369,11.764974,0,25.899061,25.857038,0,90.856468,19.760618,0,0,27.133842,28.376167,0.6641466,0.52014893,0.17380349,0.3358534,0.4798511,0.1620499,212.11761,166.12709,55.51001,107.26611,153.25662,51.7561,0.5,1,0,0,0,0,1,0,0,0,1,0,319.38373,0,0,0,319.38373,0,6,0,3,0,0,1,-1.3347,93.591278,15.105889,77.915749,17.233564,3.185575,6.2573543,0,88.215919,3.9819686,71.368187,8.5091801,114.26999,3.1243138,50.90794,19.753994,0,88.215919,29.215139,71.368187,117.18,0.43739632,5.7004399,3.3900189,8.8684988,319.38373,413.78937,54.267685,27.133842,17.742489,23.425066,181.67215,40.607563,77.692749,367.81299,1383,39,128,0.011179101,0.11042243,0,0,0,1,1.455217689276,1
12,S1[C@H]2N(C(C(O)=O)=C(C1)COC(=O)N)C(=O)[C@H]2NC(=O)\C(=N/OC)\c1occc1,0.88999999,0.11,Negative,Positive,1,LT01186,5361202,cefuroxime,1983,Less-DILI-Concern,5,Adverse reactions,Yes,vLess-DILI-Concern,S1[C@H]2N(C(C(O)=O)=C(C1)COC(=O)N)C(=O)[C@H]2NC(=O)\C(=N\OC)\c1occc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=8da31eca-51cf-4a01-9159-740f772b0f15,2,51.877895,0,0,2,4,4,2,5,0,44,2,6,29,10,85.611633,1.9457189,0,0,16,0,0,15,0,4,8,0,1,1.6207769,-2.6895297,-0.58913875,0.52639663,2.7294819,-2.8954222,-0.54007506,0.54828817,2.6099327,-2.3995857,-0.39541233,0.72538787,3.0163076,31.196104,7,0.22580644,5,46,6,31,3,9,0.29032257,35,0,21.129028,15.763474,9.3009653,10.309036,13.845443,9.1580276,3.284457,4.2247448,2,2,0.90900391,14,-1,-0.83676809,-0.46276137,0.044814721,2.5647845,-1.4899639,-0.45825258,0.090973139,2.5022032,-0.52907968,-0.20491964,0.255173,2.8531651,23.658689,10.543388,5.2577777,18.371925,8.108532,4.0147886,5.1368732,12,3,1,1,-0.79000002,-4.2709799,9.8251925,0,1,15,1,3,7,1,0,0,3.1439319,-4.1439319,0.11399537,0.13106368,19.208147,118.25036,12.533369,41.01511,0,25.899061,19.199511,26.718348,0,30.64588,0,13.566921,35.539959,36.42561,0.65532911,0.37703392,0.22567803,0.34467092,0.62296605,0.11899288,248.37122,142.89671,85.532486,130.63106,236.10556,45.098572,0.5,1,0,0,0,0,1,0,0,0,1,0,379.00226,0,0,0,379.00226,0,7,1,3,0,0,1,-1.8707,93.591278,25.179274,100.1344,38.159824,5.4488211,70.233398,0,55.192799,0,56.081757,9.4846096,169.8582,22.524176,18.01075,17.72024,32.897186,55.192799,60.214783,67.603409,176.59,0.3796615,5.9541965,3.6140857,9.4251375,379.00226,465.76474,78.719864,27.133842,0,23.425066,151.16232,107.93349,102.14493,423.38199,2349,44,150,0.082569726,0.21686946,0,0,0,0,0.3182913251225,1
13,Cl\C(=C(/c1ccc(OCCN(CC)CC)cc1)\c1ccccc1)\c1ccccc1,0.31999999,0.68000001,Positive,Positive,1,LT00233,1548955,clomiphene,1967,Less-DILI-Concern,3,Warnings and precautions,Yes,vLess-DILI-Concern,Cl\C(=C(/c1ccc(OCCN(CC)CC)cc1)\c1ccccc1)\c1ccccc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=df518802-0efd-4da4-816d-65a7e92cecd2,2,69.178993,0,0,2,3,1,0,18,1,58,0,1,29,27,76.670013,1.3218968,0,0,26,1,0,29,0,1,1,0,0,1.5201284,-2.7150002,-0.64212608,0.69824487,2.6810913,-3.4923201,-0.53807992,0.80591482,2.4438059,-2.5163555,-0.48550388,0.85431087,2.8683128,35.359001,9,0.29032257,18,60,1,31,6,9,0.29032257,41,0,20.47648,17.953472,15.911331,18.192024,14.223877,10.677354,8.5569477,11.513534,0,0,0.68198454,15,1,-0.88062924,-0.3872526,0.079735227,2.6799786,-2.2596202,-0.26386139,0.16445385,2.7562666,-0.62940985,-0.21605732,0.19305076,2.940026,23.658689,12.7575,7,18.682489,9.9838428,5.4418135,6.4318295,2,1,1,0,7.467,-6.8187799,12.456913,0,1,19,1,3,9,1,0,0,2.5721564,-1.5721564,0.13547021,0.21569075,27.800856,133.2014,28.143618,0,0,0,8.6190128,68.630783,176.64079,0,0,0,0,2.503756,0.97503531,0.55612338,0.0056195962,0.024964679,0.44387662,0.019345084,434.41745,247.77533,2.503756,11.122769,197.76489,8.6190128,0.46666667,0.875,0,0,0,0,1,0,0,0,1,0,445.54022,0,0,0,445.54022,0,8,0,3,0,0,1,4.96279,14.124202,0,0,79.430565,9.5567245,0,0,250.50519,0,111.04411,12.24397,3.1243138,10.999887,3.185575,14.800153,3.5006065,247.00458,76.244995,105.80067,13.67,0.3796615,5.9541965,3.7034278,9.4106607,445.54022,596.75397,2.503756,0,0,0,414.48718,0,2.503756,406.97699,2488,43,142,0.30515262,0.25006509,0.89999998,0,0,0,0.2186627387998,1
14,N(N)CCc1ccccc1,0.5,0.5,Negative,Positive,1,LT01657,3675,phenelzine,1961,Less-DILI-Concern,3,Adverse reactions,Yes,vLess-DILI-Concern,N(N)CCc1ccccc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=afd48e96-a64e-4e5a-ba21-504a53855397,2,24.281515,1,1,0,0,2,0,6,0,22,2,4,10,8,29.087946,1.3221793,0,0,8,0,0,12,0,2,0,0,0,2.0467131,-2.5113692,-0.62697089,0.69211471,2.4321918,-2.770304,-0.53807992,0.68299741,2.4200647,-2.2321639,-0.49986199,0.78398293,2.7048862,11.798484,3,0.30000001,6,22,0,10,5,3,0.30000001,16,0,7.2342043,5.878315,4.8009648,5.5270977,4.9318519,3.4064655,2.7642369,3.7247448,0,0,0.65519267,7,0,-0.87479532,-0.39001775,0.079275936,2.1704993,-1.4442664,-0.26386139,0.16445385,2.2457187,-0.51042473,-0.21605732,0.19305076,2.4478788,8.1000004,4.7603307,3.1111112,6.2298064,3.5412848,2.2516572,2.2061517,2,3,1,0,0.89499998,-1.0912,4.269238,1,1,6,1,1,3,0,0,0,0.89109331,-0.89109331,0.15745756,0.30351213,30.253868,21.326929,25.857038,0,0,0,0,10.909853,61.274521,0,0,0,14.264937,0,0.9129588,0.52749294,0.087041222,0.087041222,0.47250709,0,149.62221,86.44931,14.264937,14.264937,77.437836,0,0.42857143,0.75,0,0,0,0,1,0,0,0,1,0,163.88715,0,0,0,163.88715,0,4,1,1,0,0,1,0.69237,50.662895,0,0,18.439579,3.185575,18.868406,0,88.215919,0,0,4.2336102,0,0,17.888229,3.185575,32.774666,107.08433,18.439579,0,38.049999,0.72192812,4.321928,2.5657051,6.2731547,163.88715,207.87473,0,0,0,0,117.35902,0,30.901993,136.198,133,9,42,0.27681124,0.041480083,0,0,0,0,0.1552415043121,1
15,OC(=O)C(C)c1cc(ccc1)C(=O)c1ccccc1,0.28,0.72000003,Positive,Positive,1,LT00023,3825,ketoprofen,1986,Less-DILI-Concern,3,Warnings and precautions,Yes,vLess-DILI-Concern,OC(=O)C(C)c1cc(ccc1)C(=O)c1ccccc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=c2c99853-1268-4998-a44b-2bf0c0b70fd2,2,39.23431,1,0,0,1,1,2,12,0,32,0,1,19,14,43.139397,1.3481061,0,0,16,0,0,13,0,0,3,0,0,1.8972659,-2.4560843,-0.62502551,0.64671397,2.424468,-2.451612,-0.51992434,0.7184391,2.5284414,-2.1756787,-0.47967759,0.82731092,2.7141323,17.085691,4,0.2,12,33,2,20,3,4,0.2,19,0,13.828063,10.498247,9.2735023,10.828063,9.0922241,5.9991236,5.3867512,7.3601732,1,1,0.72770739,10,-1,-0.84748334,-0.45985454,0.066900752,2.3865623,-1.4899316,-0.32548583,0.14711864,2.4940357,-0.5006237,-0.21064061,0.18675222,2.6914995,15.39,7.1358023,3.9861591,10.563126,4.7851486,2.6246386,2.6603227,3,0,1,0,3.714,-3.9507799,7.3594999,0,1,12,1,2,4,0,0,0,0.97921324,-1.9792132,0.19724651,0.27748603,36.187122,38.388474,0,8.458519,0,0,0,14.463444,116.78691,0,0,0,13.566921,27.133842,0.84037989,0.67435718,0.15962008,0.15962008,0.32564285,0,214.28447,171.95111,40.700764,40.700764,83.034119,0,0.5,1,0,0,0,0,1,0,0,0,1,0,254.98523,0,0,0,254.98523,0,5,1,2,0,0,1,1.771,42.683342,7.151619,23.862217,0,33.418941,0,4.4107962,158.78867,0,33.326015,6.9738498,90.407776,0,0,13.967521,0,158.78867,7.151619,33.326015,57.200001,0.5023343,5.321928,3.1098776,8.1981049,254.98523,348.04785,40.700764,27.133842,0,0,180.51906,23.167019,40.700764,253.27699,724,28,94,0.14535253,0.073310211,0,0,0,0,0.1099851317704,1
16,Clc1ccc(cc1)C(N1CCN(CC1)C)c1ccccc1,0.44,0.56,Positive,Positive,1,LT00066,2710,chlorcyclizine,,No-DILI-Concern,0,No match,Yes,vLess-DILI-Concern,Clc1ccc(cc1)C(N1CCN(CC1)C)c1ccccc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=d50b5154-20a3-4c5b-ad7b-08c081340b12,2,51.39624,0,0,1,2,0,0,12,2,44,0,0,21,19,59.114418,1.3435094,0,0,18,1,0,23,0,2,0,0,0,1.6776571,-2.8086069,-0.56189859,0.7005114,2.8236895,-3.6274149,-0.53807992,0.76312637,2.5106864,-2.6331968,-0.48259613,0.81802338,2.9872472,28.20376,3,0.13043478,12,46,0,23,3,3,0.13043478,34,0,14.656489,13.235824,11.10193,12.501789,10.237184,8.079236,5.309401,7.1161566,1,1,0.69452298,10,2,-0.88290548,-0.37619153,0.081042282,2.9044707,-2.2779262,-0.26386139,0.1641562,2.8023698,-0.64192176,-0.21605732,0.18142772,3.0887456,15.879017,7.5130072,4.0500002,13.428945,6.2972369,3.3713896,4.0269165,2,2,1,0,3.9809999,-3.75647,8.9945402,0,1,18,1,3,5,0,0,0,3.2100317,-1.2100317,0.10886697,0.27314889,8.9368258,108.54641,60.180645,0,0,0,17.238026,24.509808,115.36627,0,0,0,0,0,0.9485091,0.41781744,0,0.051490918,0.58218259,0.051490918,317.53998,139.87608,0,17.238026,194.9019,17.238026,0.5,1,0,0,0,0,1,0,0,0,1,0,334.77798,0,0,0,334.77798,0,5,0,3,0,0,0.2857143,0.93809998,6.2486277,0,0,73.758316,6.37115,32.897186,3.5006065,158.78867,3.9819686,39.148643,8.7165403,6.2486277,0,0,13.853725,0,158.78867,73.758316,72.04583,8.8800001,0.48250595,5.523562,3.051475,8.5176783,334.77798,436.05325,0,0,0,0,302.59225,0,0,302.849,896,31,108,0.033698298,0.12154321,0,0,0,0,0.4417072348293001,1
17,P(O)(O)(=O)COCCn1c2ncnc(N)c2nc1,0.23999999,0.75999999,Positive,Positive,1,LT01155,60871,adefovir,2002,Less-DILI-Concern,2,Warnings and precautions,Yes,vLess-DILI-Concern,P(OCOC(=O)C(C)(C)C)(OCOC(=O)C(C)(C)C)(=O)COCCn1c2ncnc(N)c2nc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=a60adac4-57c2-4089-aefc-1a77a48676fc,2,33.08593,0,0,1,3,4,3,9,0,28,1,5,18,4,57.777016,2.0634649,0,0,8,0,0,10,0,5,4,1,0,1.71439,-2.5688543,-0.69844848,0.25742728,2.4620755,-2.5445895,-0.93869478,0.28379562,2.5207803,-2.2326975,-0.049600244,0.54321206,2.7533295,28.482071,5,0.2631579,10,29,0,19,6,5,0.2631579,19,0,13.173362,10.116859,4.776021,5.2675848,8.4721451,6.7013268,1,1.1666666,0,0,0.93032157,10,-2,-1.0362674,-0.56972039,-0.034607459,2.2975936,-1.349,-0.63986939,0.054200001,2.3526247,-0.51021338,-0.16,0.099434189,2.583827,14.409972,5.9698215,3.9958377,12.153434,4.9810596,3.3075354,3.3631654,9,2,1,0,-2.1589401,-0.71974999,6.3244462,1,1,10,1,2,5,1,0,0,1.8177463,-3.8177464,0.090813622,0.18294784,13.192325,53.249763,89.898415,11.190562,0,0,0,0,0,13.666999,0,17.047728,6.6511192,49.691166,0.71173036,0.34195241,0.28826964,0.28826964,0.65804756,0,181.19807,87.057014,73.390015,73.390015,167.53107,0,0.5,1,0,0,0,0,1,0,0,0,1,0,254.58807,0,0,0,254.58807,0,5,1,2,0,0,1,-2.5074999,100.19849,52.25568,10.999887,39.023354,0,0,0,37.430504,0,34.548656,5.76794,78.301186,52.25568,0,0,6.187367,84.907822,39.023354,13.781157,130.06,0.52150291,5.2479277,3.2005799,7.9980493,254.58807,291.48309,66.738892,47.187408,0,17.742489,72.63652,85.629158,84.481384,271.173,682,23,92,0.042261716,0.067723416,0,0,0,2,2.063740074634,1
18,O1c2c(C=CC1=O)cc1c(occ1)c2OC,0.33000001,0.67000002,Positive,Positive,1,LT01537,4114,methoxsalen,1954,Less-DILI-Concern,3,Warnings and precautions,Yes,vLess-DILI-Concern,O1c2c(C=CC1=O)cc1c(occ1)c2OC,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=ae951dc4-9031-43bf-943c-cb2366951f23,2,29.662344,1,1,0,0,2,0,9,0,24,0,2,16,9,35.01955,1.4591479,0,0,12,0,0,8,0,0,4,0,0,1.8125348,-2.2640257,-0.58297443,0.66205931,2.3069074,-2.2546589,-0.49255499,0.75709707,2.4881234,-1.9745486,-0.39910007,0.87233293,2.6161528,15.451656,1,0.055555556,10,26,2,18,2,1,0.055555556,14,0,11.120955,8.5197449,6.8867512,7.9996357,7.7920251,4.7746134,3.1100423,4.3745747,0,0,0.80365056,7,0,-0.83368683,-0.45043853,0.088986933,2.3244441,-0.91159433,-0.32674012,0.16242869,2.4984424,-0.48317924,-0.20852642,0.23819247,2.624902,11.111111,4.3491125,1.8612126,7.9804444,3.0479052,1.2803974,1.5202274,4,0,1,0,2.434,-4.2667098,5.676712,0,1,15,1,3,1,0,0,0,1.4364365,-1.4364365,0.2030412,0.32040203,41.66964,48.362587,21.182425,8.458519,0,14.708499,0,36.764713,0,0,0,0,16.070677,5.0075121,0.81382877,0.30091316,0.10965398,0.18617125,0.69908684,0.076517269,156.43788,57.842899,21.07819,35.78669,134.38167,14.708499,0.42857143,0.75,0,0,0,0,1,0,0,0,1,0,192.22456,0,0,0,192.22456,0,4,0,3,0,0,1,2.3736,21.999775,7.7454643,23.862217,0,3.185575,44.891212,0,80.245155,17.643185,10.486856,5.7435002,33.369564,21.999775,0,13.672431,7.4091749,72.835983,25.388649,35.383869,48.669998,0.58587331,5.1699252,2.5818048,7.7347631,192.22456,269.01245,16.070677,0,0,0,120.22652,50.233006,16.070677,216.192,387,26,88,0.38232499,0.059382241,0,0,0,2,1.76627716422,1
19,Clc1cc2N(c3c(Sc2cc1)cccc3)CCCN1CCN(CC1)CCO,0.56999999,0.43000001,Negative,Positive,1,LT01655,4748,perphenazine,1957,Less-DILI-Concern,3,Warnings and precautions,Yes,vLess-DILI-Concern,Clc1cc2N(c3c(Sc2cc1)cccc3)CCCN1CCN(CC1)CCO,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=0958af4c-87ef-41fd-90a1-ec3e57146945,2,64.812202,0,0,1,2,1,0,12,2,55,1,2,27,23,86.37529,1.5704598,0,0,21,1,0,28,0,3,1,0,1,1.3003089,-2.8291903,-0.55195987,0.71370584,2.8385446,-3.6472082,-0.6165542,0.66710514,2.6000755,-2.6513698,-0.46729079,0.84629393,3.0038733,37.929794,6,0.2,12,58,0,30,5,6,0.2,46,0,18.639618,17.158478,12.905413,14.200459,13.241515,11.058065,6.0653839,7.6161566,0,0,0.74596596,14,2,-0.88469028,-0.36366105,0.073511101,2.9389975,-2.2815912,-0.35847494,0.15813136,2.873461,-0.64187187,-0.20940231,0.20159207,3.1366627,20.280001,9.6668653,4.9507437,18.543015,8.8072004,4.498476,6.048594,4,3,1,0,3.4549999,-4.3695598,11.455856,0,1,22,1,4,8,0,0,0,3.7765269,-1.7765269,0.092349239,0.21920177,65.243233,117.71672,65.961624,0,10.324173,0,17.238026,61.274521,73.852371,0,0,0,0,7.7675405,0.91575688,0.34072927,0.018521564,0.084243141,0.6592707,0.065721579,384.04846,142.89444,7.7675405,35.329739,276.4838,27.562199,0.5,1,0,0,0,0,1,0,0,0,1,0,419.3782,0,0,0,419.3782,0,7,0,4,0,0,1,1.1085,34.758167,0,0,150.00331,0,3.1014678,3.5006065,123.50229,18.868406,76.881683,11.18542,6.2486277,25.385227,6.2257819,3.5006065,5.513495,142.3707,150.00331,71.368187,32.349998,0.41024774,5.9068904,3.6134136,9.197422,419.3782,544.25269,0,0,0,0,366.2536,0,13.566921,405.99399,2000,43,142,0.84429395,0.91944611,0.30000001,0,0,1,1.211646616459,1
20,O(CCNCC(O)COc1c2c3c([nH]c2ccc1)cccc3)c1ccccc1OC,0.69,0.31,Negative,Positive,1,LT00207,2585,carvedilol,1995,Less-DILI-Concern,3,Adverse reactions,Yes,vLess-DILI-Concern,O(CCNCC(O)COc1c2c3c([nH]c2ccc1)cccc3)c1ccccc1OC,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=2ba6d893-ae2a-4535-b904-667d206f93af,2,65.651413,0,0,2,3,4,0,19,1,57,2,6,30,24,84.053665,1.4746257,0,0,24,0,0,27,0,2,4,0,0,1.1163772,-2.6380625,-0.57992977,0.62773126,2.6629472,-3.4141266,-0.54911166,0.73537427,2.4603198,-2.4577868,-0.42218477,0.78838652,2.8323288,35.924587,10,0.30303031,21,60,0,33,7,10,0.30303031,39,0,20.760939,17.005939,14.25663,16.225405,14.758351,10.13788,6.9652143,9.4326534,1,1,0.7168293,17,1,-0.86567605,-0.38441488,0.084842794,2.6788421,-2.2478263,-0.34115547,0.14870119,2.7319598,-0.6360029,-0.21030511,0.17043352,2.9300575,23.168043,11.743802,6.0810113,17.71376,8.8902969,4.5711389,5.2493534,6,4,1,0,3.97474,-5.0069499,11.797182,1,1,21,1,4,10,0,0,0,3.6191196,-2.6191196,0.09582103,0.14656031,42.813839,121.51369,63.157909,8.6190128,10.324173,0,17.238026,61.274521,73.529427,0,0,0,0,15.4157,0.89616013,0.36294907,0.03724622,0.10383987,0.63705093,0.066593647,370.90839,150.21965,15.4157,42.977898,263.66666,27.562199,0.47058824,0.8888889,0,0,0,0,1,0,0,0,1,0,413.88629,0,0,0,413.88629,0,9,0,4,0,0,1,2.7118001,76.395638,0,23.254179,78.731674,0,35.383869,0,203.50923,0,15.730285,11.74549,0,76.395638,16.78553,22.198933,9.4342031,194.07503,78.731674,35.383869,80.32,0.37824166,6.044394,3.9227822,9.4690714,413.88629,568.46167,7.5112681,0,5.6825762,11.365152,345.91809,0,32.44334,407.48999,3062,45,154,0.2327511,0.63352609,0.89999998,0,0,2,1.666145712137,1
21,S(=O)(=O)(NC(=O)NC1CCCCC1)c1ccc(cc1)CCNC(=O)c1ncc(nc1)C,0.25999999,0.74000001,Positive,Positive,1,LT00243,3478,glipizide,1984,Less-DILI-Concern,3,Adverse reactions,Yes,vLess-DILI-Concern,S(=O)(=O)(NC(=O)NC1CCCCC1)c1ccc(cc1)CCNC(=O)c1ncc(nc1)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=06505b04-656c-47ef-83ba-ab977bdcaaf4,2,65.904617,0,0,1,3,3,4,12,0,57,2,5,31,19,98.414993,1.7265788,0,0,21,0,0,26,0,5,4,0,1,1.3060586,-2.8192999,-0.5710929,0.52279061,2.7024417,-2.7639015,-0.48222935,0.62853289,2.8323236,-2.5283875,-0.4003965,0.7068975,2.9853089,42.095383,7,0.21212122,12,59,2,33,4,10,0.30303031,45,0,22.269375,18.190578,12.991199,14.23384,14.831337,11.716558,6.8187675,8.084918,0,0,0.78470051,20,-1,-0.98723453,-0.43198791,0.0088817179,2.6089554,-1.1611644,-0.37846896,0.14298536,2.6820068,-0.52659953,-0.21572059,0.17534602,2.8891361,25.619835,12.459259,8.3730869,20.701473,9.9917259,6.677804,6.6723685,9,2,1,0,1.50253,-3.07234,11.883549,0,1,18,1,3,8,1,0,0,2.2136304,-3.2136304,0.13048527,0.1934247,131.22499,59.143391,6.6995511,8.6190128,0,17.134132,0,80.226891,54.727734,0,32.016521,5.6825762,19.249496,13.840703,0.86954862,0.48007634,0.090471163,0.13045141,0.51992363,0.03998024,372.65811,205.74393,38.772778,55.90691,222.82109,17.134132,0.5,1,0,0,0,0,1,0,0,0,1,0,428.565,0,0,0,428.565,0,10,0,3,0,0,1,2.86219,36.0215,91.83149,10.622711,18.439579,32.561287,20.41914,0,121.40645,94.342026,57.188232,11.51977,95.896118,33.57106,53.977234,12.681039,0,218.21188,28.528318,39.966759,118.12,0.36097246,6.044394,4.059814,9.5601654,428.565,566.50403,78.590721,53.658649,0,11.365152,274.8837,40.495682,89.955879,444.53598,3430,44,156,0.37502331,0.37529111,0,1,0,0,0.7389742434023001,1
22,Clc1ccc(cc1)C1(O)CCN(CC1)CCCC(=O)c1ccc(F)cc1,0.56999999,0.43000001,Negative,Positive,1,LT00405,3559,haloperidol,1967,Less-DILI-Concern,5,Adverse reactions,Yes,vLess-DILI-Concern,Clc1ccc(cc1)C1(O)CCN(CC1)CCCC(=O)c1ccc(F)cc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=913fdc2f-36eb-47e1-aaee-7bfb542d3ed3,1,58.404034,0,0,2,3,2,0,12,1,50,1,3,26,22,77.915047,1.5583009,0,0,21,1,1,24,0,1,2,0,0,1.3265237,-2.8132601,-0.62045598,0.69841123,2.8132906,-3.4981294,-0.53807992,0.80591482,2.7490139,-2.6101422,-0.49179289,0.85431087,3.0116215,30.137968,6,0.21428572,12,52,1,28,5,6,0.21428572,39,0,18.570704,15.435869,12.568549,13.993353,12.460146,9.4477148,7.2033944,9.0033503,0,0,0.75316024,17,1,-0.88364589,-0.38788813,0.08293552,2.8710332,-2.2596762,-0.26386139,0.17833121,2.8480804,-0.6299141,-0.21605732,0.19305076,3.0697694,20.727041,9.4674559,5.75,17.338472,7.8599076,4.7478652,5.2414923,3,2,1,0,4.598,-4.7939901,10.408354,0,1,18,1,3,8,0,0,0,2.6608386,-1.6608387,0.13093968,0.23093978,75.656624,99.292381,9.0208454,8.458519,10.324173,0,8.6190128,75.737961,54.091755,0,0,11.908636,13.566921,7.7675405,0.8606301,0.43550611,0.0887798,0.13936992,0.56449389,0.05059012,322.25809,163.07281,33.243095,52.186283,211.37155,18.943186,0.47058824,0.8888889,0,0,0,0,1,0,0,0,1,0,374.44437,0,0,0,374.44437,0,9,1,3,0,0,1,3.3199999,28.509541,5.6876111,9.1210184,55.318733,30.233366,0,3.5006065,141.14548,75.473625,54.108757,10.0228,26.98653,40.345341,9.1210184,9.8717566,0,216.61909,61.006344,39.148643,41.740002,0.41210872,5.8073549,3.8023999,9.0479355,374.44437,500.39682,13.566921,0,0,0,310.04871,8.458519,27.133842,376.879,2035,39,134,0.25422865,0.65741795,0.30000001,0,0,0,0.3407383142042,1
23,O1[C@H](/C(=C/[C@H]2C[C@@H](OC)[C@H](O)CC2)/C)[C@H](C)[C@@H](O)CC(=O)[C@H](\C=C(/C[C@@H](C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@@H](CCCC2)C1=O)C)\C)CC=C,0.079999998,0.92000002,Positive,Positive,1,LT00448,439492,tacrolimus,1994,Less-DILI-Concern,5,Adverse reactions,Yes,vLess-DILI-Concern,O1[C@H](C(=C[C@H]2C[C@@H](OC)[C@H](O)CC2)C)[C@H](C)[C@@H](O)CC(=O)[C@@H](C=C(C[C@@H](C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@@H](CCCC2)C1=O)C)C)CC=C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=93d03943-0655-44f6-b494-57bd1e336a34,1,134.17271,0,0,3,5,11,0,0,0,126,3,14,57,39,174.41454,1.3842424,0,0,44,0,0,69,0,1,12,0,0,1.7103463,-2.7902093,-0.47550935,0.51924145,2.8292644,-2.8811934,-0.42368194,0.42893934,2.8028491,-2.5703771,-0.34521177,0.6147964,3.0377088,90.82328,7,0.11666667,0,129,7,60,4,7,0.11666667,122,0,42.18914,35.393082,29.929993,31.076258,26.983057,20.886057,15.720017,17.019678,14,14,0.71982431,19,0,-0.82371378,-0.37677863,0.048212972,3.4193258,-0.98279423,-0.30315867,-0.008580978,3.420964,-0.53534335,-0.20596427,0.13635814,3.6353018,49.653332,22.904272,12.565097,44.182018,20.33662,11.139701,15.763385,13,3,0,2,4.572,-6.4347701,21.577118,0,1,38,0,3,25,4,0,0,5.407846,-5.407846,0.054771904,0.072303794,284.5636,123.26807,16.509409,0,32.081062,36.11655,0,126.71703,95.216286,22.301268,0,0,54.267685,35.8214,0.80856949,0.40432808,0.10895294,0.19143052,0.59567189,0.082477584,668.57562,334.32367,90.089088,158.2867,492.53867,68.197609,0.42105263,0.72727275,0,0,0,0,1,0,0,0,1,0,826.86237,0,0,0,826.86237,0,11,1,4,0,0,0.21052632,4.6389999,76.155678,27.503784,199.71082,18.439579,22.05398,112.52275,0,52.929554,207.55246,198.73087,21.259239,150.4483,79.279991,22.05398,55.633663,0,260.48203,42.819046,304.88248,178.36,0.22805569,6.9068904,3.9525137,11.446915,826.86237,1116.9822,64.282707,0,0,0,606.41339,48.18737,104.98347,804.03101,12629,105,292,0.64778852,0.92658138,0.69999999,4,3,0,0.098261934705,1
24,Oc1ccc(cc1)CC(NC(=O)C(NC(=O)C(NC(=O)C(Cc1[nH]cnc1)CC(=O)C1NC(=O)CC1)CCc1ccccc1NC=C)CO)C(=O)NC(CC=1c2c(CC=1)cccc2)C(=O)NC(CC(C)C)C(=O)NC(C(=O)CN1CCCC1C(=O)NCC(=O)N)CCCNC(N)=N,0.49000001,0.50999999,Positive,Positive,1,LT00460,25077179,triptorelin pamoate,2000,Less-DILI-Concern,3,Adverse reactions,Yes,vLess-DILI-Concern,Oc1ccc(cc1)CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1NC(=O)CC1)Cc1[nH]cnc1)Cc1c2c([nH]c1)cccc2)CO)C(=O)NC(Cc1c2c([nH]c1)cccc2)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=a2f71c34-4493-4d58-9c23-f8543babe95f,2,209.05095,0,0,3,5,15,0,23,4,189,14,29,97,55,303.04294,1.6034018,0,0,68,0,0,92,0,16,13,0,0,1.1067771,-2.6899743,-0.58333015,0.61749732,2.8337736,-3.4779084,-0.55321807,0.64764065,2.6923828,-2.456682,-0.42344993,0.72700524,3.0206871,119.03304,39,0.37864077,23,195,14,103,9,47,0.45631069,158,0,70.131874,54.717667,41.153244,45.069244,46.474915,32.763992,21.545403,25.609257,9,9,0.75013334,33,2,-0.8638615,-0.39529893,0.089516588,3.3362064,-2.2590034,-0.37108988,0.14164717,3.2595243,-0.63260835,-0.23761703,0.18880017,3.5654731,84.26355,44.204082,28.342278,62.288925,32.567493,20.833477,20.913343,29,20,0,3,-0.405,-11.0728,36.227871,0,1,39,0,7,41,5,0,0,12.222224,-10.222224,0.028583277,0.038395021,244.60811,227.00798,54.602684,106.41362,132.70311,56.044598,24.300587,125.46252,182.34566,0,0,5.6825762,162.81215,23.418219,0.69900352,0.37142891,0.14264359,0.30099651,0.62857109,0.15835291,940.44055,499.72113,191.91295,404.96124,845.68073,213.04829,0.4848485,0.94117647,0,0,0,0,1,0,0,0,1,0,1345.4019,0,0,0,1345.4019,0,17,1,7,0,0,0.59793812,-3.41892,313.45786,95.399651,311.12567,94.68457,24.320639,75.473625,0,283.7612,188.68405,106.753,35.711521,265.6087,99.227951,187.70387,52.598225,89.747452,544.73334,155.28793,98.752823,459.28,0.15194631,7.6865005,4.7768688,12.963019,1345.4019,1788.4592,149.23613,0,41.167557,110.05323,749.82404,173.93491,297.78836,1341.583,61419,144,486,0.37900874,0.98527694,0.60000002,3,3,0,0.8666925504800003,1
25,Clc1cc2c(-n3c(nnc3C)CN=C2c2ccccc2)cc1,0.73000002,0.27000001,Negative,Positive,1,LT00501,2118,alprazolam,1981,Less-DILI-Concern,7,Adverse reactions,Yes,vLess-DILI-Concern,Clc1cc2c(-n3c(nnc3C)CN=C2c2ccccc2)cc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=f0bfdd42-caa1-402d-b040-1ac6082ea10a,2,45.168308,0,0,2,2,3,0,17,0,35,0,3,22,15,53.93232,1.5409235,0,0,17,1,0,13,0,4,0,0,0,1.6001269,-2.2637928,-0.61782914,0.62759274,2.3725679,-2.1942933,-0.49650812,0.76532167,2.4539328,-1.9802769,-0.46058318,0.83761948,2.6753638,19.251692,1,0.039999999,17,38,1,25,2,1,0.039999999,20,0,15.104083,12.748656,9.8259087,11.405413,10.737184,7.4270864,5.0022707,6.9350882,0,0,0.77270257,9,0,-0.79807508,-0.38278958,0.046107363,2.5604134,-0.86626387,-0.28017744,0.15515132,2.6643376,-0.48244363,-0.20281337,0.20552821,2.8709671,15.5232,6.4814816,2.9219532,11.242508,4.6158576,2.0556045,2.3588097,4,0,1,0,4,-4.5496302,8.717248,0,1,22,1,4,1,0,0,0,1.3083251,-1.3083251,0.12187711,0.21483958,21.732985,56.052963,24.382887,11.190562,0,0,0,55.51239,90.856468,18.842079,0,0,5.6825762,0,0.98000872,0.60120231,0.019991267,0.019991267,0.39879766,0,278.57034,170.89351,5.6825762,5.6825762,113.3594,0,0.44444445,0.80000001,0,0,0,0,1,0,0,0,1,0,284.2529,0,0,0,284.2529,0,5,0,4,0,0,1,3.8465199,0,37.981853,0,0,11.02699,16.78553,3.5006065,143.90222,0,90.914238,8.7096004,0,52.010635,0,14.527596,2.7567475,159.58505,2.7567475,72.474655,43.07,0.47938794,5.643856,2.9352038,8.6676722,284.2529,399.60004,24.524654,0,0,0,221.39424,29.080677,24.524654,308.772,926,40,122,0.45631579,0.50982994,0.69999999,0,0,1,0.5516668025516291,1
26,O(C(=O)C1(N(C(=O)CC)c2ccccc2)CCN(CC1)CCC(OC)=O)C,0.44,0.56,Positive,Positive,1,LT00987,60815,remifentanil,1996,Less-DILI-Concern,3,Adverse reactions,Yes,vLess-DILI-Concern,O(C(=O)C1(N(C(=O)CC)c2ccccc2)CCN(CC1)CCC(OC)=O)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=dbc63b6e-f8c5-4fd0-8ec3-4f5e19125313,2,60.746998,0,0,1,2,3,0,6,1,56,0,3,27,17,84.282227,1.5050397,0,0,20,0,0,29,0,2,5,0,0,2.1448035,-2.811069,-0.47537106,0.50193202,2.8423657,-3.5032189,-0.46387619,0.46838152,2.66241,-2.6088922,-0.3473922,0.63272035,3.0438581,41.709003,8,0.2857143,6,57,3,28,4,10,0.35714287,48,0,19.863596,16.324953,13.336499,14.294683,12.978729,9.3506021,5.7820039,6.8358817,0,0,0.72375458,13,1,-0.88240379,-0.40824232,0.017265862,2.9930673,-2.2597008,-0.28340313,0.095108785,2.9089413,-0.62974733,-0.20180815,0.12844501,3.1989856,23.280613,11.253463,5.7577853,18.709242,8.9629698,4.5553761,6.2107544,7,1,1,0,2.0910001,-2.81425,10.377585,0,1,12,1,2,9,0,0,0,3.3818836,-2.3818836,0.10302488,0.14125761,129.71805,120.78985,0,0,12.949531,29.416998,8.6190128,24.509808,55.51239,0,0,0,40.700764,5.0075121,0.77366948,0.29429641,0.10698903,0.22633053,0.70570356,0.1193415,330.53009,125.73047,45.708275,96.693817,301.49344,50.985542,0.46153846,0.85714287,0,0,0,0,1,0,0,0,1,0,427.22391,0,0,0,427.22391,0,7,0,2,0,0,1,0.58319998,6.2486277,20.749712,93.586426,55.318733,0,70.767738,0,88.215919,75.473625,36.082764,10.03967,96.710739,0,3.1243138,0,2.7567475,163.68954,76.068443,104.09375,77.349998,0.39086518,5.8073549,3.4082828,9.2359428,427.22391,521.53174,40.700764,0,0,0,310.59982,47.374043,40.700764,377.461,1822,45,132,0.075362384,0.26361185,0.40000001,0,0,1,1.202432706952,1
27,s1cc(nc1N)/C(=N/OC)/C(=O)N[C@@H]1[C@@H]2SCC(COC(=O)C)=C(N2C1=O)C(O)=O,0.67000002,0.33000001,Negative,Positive,1,LT01177,456256,cefotaxime,1981,Less-DILI-Concern,5,Adverse reactions,Yes,vLess-DILI-Concern,s1cc(nc1N)C(=NOC)C(=O)N[C@H]1[C@H]2SCC(COC(=O)C)=C(N2C1=O)C(O)=O,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=ed23b6bc-32c7-4c50-a53d-313ae78e5623,2,55.742687,0,0,2,4,5,2,5,0,46,2,7,30,12,92.822723,2.0178852,0,0,16,0,0,16,0,5,7,0,2,1.6234859,-2.6898382,-0.54311901,0.49557418,2.7292969,-2.8954043,-0.53122306,0.47023088,2.610491,-2.3997068,-0.25964531,0.73243976,3.0164087,33.973312,7,0.21875,5,48,6,32,3,9,0.28125,37,0,21.999271,17.372482,9.6462641,10.472174,14.23929,10.318228,3.1177905,3.8020952,2,2,0.92213321,15,-1,-0.83002138,-0.51458615,-0.00057985395,2.5727022,-1.4899685,-0.42828634,0.090675279,2.5156002,-0.52906263,-0.20260821,0.29255372,2.8675535,24.638672,10.744802,5.5067639,20.307953,8.7938976,4.4844303,5.9528689,12,3,1,1,-0.52399999,-3.9247301,10.659714,1,1,15,0,3,7,2,0,0,2.969717,-3.969717,0.092713967,0.13681555,50.751984,115.34627,25.506008,35.079182,0,40.607563,0,2.2085397,14.230966,30.64588,0,5.6825762,53.254242,29.774488,0.67917931,0.33689117,0.22007942,0.32082069,0.66310883,0.10074126,273.76883,135.79669,88.711304,129.31886,267.29099,40.607563,0.46666667,0.875,0,0,0,0,1,0,0,0,1,0,403.08768,0,0,0,403.08768,0,8,1,3,0,0,1,-1.9572001,93.591278,42.393631,123.99661,38.159824,2.7567475,60.726051,0,15.81601,0,97.32399,10.37621,160.35086,39.309704,18.01075,15.028167,0.50074643,48.7132,60.643612,132.20711,176.34,0.37005648,6,3.6624897,9.5229187,403.08768,492.83987,84.402443,27.133842,0,23.425066,193.1985,83.588348,107.82751,454.46399,2584,46,156,0.011654991,0.32908332,0,0,0,1,0.85130307031833,1
28,S1[C@H]2N(C(C(O)=O)=C(C1)C)C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1,0.69999999,0.30000001,Negative,Positive,1,LT01189,27447,cephalexin,1971,Less-DILI-Concern,4,Adverse reactions,Yes,vLess-DILI-Concern,S1[C@H]2N(C(C(O)=O)=C(C1)C)C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=cab0d668-f4a4-4848-ba93-fa2c2246096c,2,48.903481,0,0,1,3,2,2,6,1,41,1,3,24,14,73.417877,1.7906799,0,0,16,0,0,17,0,3,4,0,1,1.5845311,-2.6951921,-0.5535574,0.52747905,2.7341213,-3.2418957,-0.51346201,0.54448593,2.6244173,-2.4090631,-0.36075023,0.70078915,3.017627,26.01652,4,0.15384616,6,43,4,26,3,5,0.1923077,33,0,17.430357,13.837967,9.3259087,10.438793,11.413591,8.5055609,4.4635959,5.8020949,3,3,0.82269889,12,0,-0.84040195,-0.3988584,0.11107115,2.6206827,-2.226253,-0.38146991,0.11054578,2.5671465,-0.64105064,-0.21075779,0.18350804,2.8810296,18.781065,7.7091413,3.6183696,14.8009,6.0081463,2.7974603,3.7052486,7,4,1,0,0.39899999,-3.27946,8.9866438,0,1,15,1,3,4,0,0,0,3.0968299,-3.0968299,0.11166462,0.1753794,34.212845,51.265751,12.533369,11.764974,0,25.899061,25.857038,20.956217,61.274521,19.760618,0,0,27.133842,28.376167,0.66377884,0.49368143,0.1739938,0.33622113,0.50631857,0.16222733,211.7683,157.50136,55.51001,107.26611,161.53304,51.7561,0.5,1,0,0,0,0,1,0,0,0,1,0,319.03439,0,0,0,319.03439,0,6,0,3,0,0,1,-1.5111001,93.591278,15.105889,77.915749,17.233564,3.185575,5.9423227,0,88.215919,3.9819686,65.545555,8.4912796,114.26999,3.1243138,50.90794,19.438963,0,88.215919,29.215139,65.545555,117.18,0.43739632,5.7004399,3.3900189,8.8684988,319.03439,422.2626,54.267685,27.133842,17.742489,23.425066,179.18744,40.607563,77.692749,347.39499,1383,39,128,0.013692302,0.084569633,0,0,0,1,0.8390585854650001,1
29,ClC=1C=CC2=N\C(=N\C)\CN(O)C(=C2C=1)c1ccccc1,0.41,0.58999997,Positive,Positive,1,LT01198,2712,chlordiazepoxide,1960,Less-DILI-Concern,5,Adverse reactions,Yes,vLess-DILI-Concern,ClC=1C=CC2=NC(=NC)CN(O)C(=C2C=1)c1ccccc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=e3ff8641-ae8a-4016-acb1-cb1b7890f5ed,2,43.777103,0,0,1,1,3,0,6,0,35,1,4,21,15,57.467049,1.6419157,0,0,16,1,0,14,0,3,1,0,0,1.8239321,-2.3865352,-0.61698681,0.65731782,2.4214251,-2.4930503,-0.49493057,0.83048409,2.4362521,-2.1027966,-0.45839673,0.88212389,2.733947,19.024899,1,0.043478262,6,37,5,23,2,1,0.043478262,26,0,14.819627,12.248656,9.3259087,10.828063,10.185872,6.9270864,4.5022707,6.357738,0,0,0.77294004,9,0,-0.80973935,-0.42085287,0.072500922,2.5175779,-0.9371236,-0.26276454,0.18076725,2.5988877,-0.50353241,-0.20274973,0.2505509,2.8366342,15.879017,7.0507812,3.5045972,11.878569,5.1916466,2.5492311,2.9366348,4,1,1,0,2.434,-4.5580802,8.3159847,1,1,19,1,3,1,0,0,0,1.447051,-1.447051,0.16379048,0.21223354,42.763134,69.245285,11.190562,0,10.324173,0,0,38.973251,90.856468,0,0,5.6825762,5.6825762,11.166143,0.8850742,0.53294665,0.078812674,0.1149258,0.46705332,0.036113132,253.0287,152.36101,22.531296,32.855469,133.52316,10.324173,0.44444445,0.80000001,0,0,0,0,1,0,0,0,1,0,285.88416,0,0,0,285.88416,0,5,0,3,0,0,1,3.2643001,0,10.823314,25.604103,18.439579,3.185575,73.154427,0,143.90222,0,39.148643,8.6566801,0,39.309704,25.604103,9.8717566,2.7567475,141.14548,23.524246,72.04583,48.189999,0.48250595,5.523562,2.8882546,8.5374813,285.88416,387.81921,11.365152,0,0,0,225.88525,17.890114,28.330677,299.76099,828,37,110,0.29580641,0.47088614,0.1,0,0,0,0.3159081749614001,1
30,P(O)(O)(=O)[C@H]1O[C@H]1C,0.58999997,0.41,Negative,Positive,1,LT01398,446987,fosfomycin,1996,Less-DILI-Concern,6,Adverse reactions,Yes,vLess-DILI-Concern,P(O)(O)(=O)[C@H]1O[C@H]1C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=ad155d62-9b49-4a50-a2ae-d3aad8155936,2,15.451965,1,1,0,0,1,3,0,0,13,0,1,8,3,23.741188,1.8262453,0,0,3,0,0,5,0,0,4,1,0,2.3899639,-2.4750664,-0.69819826,0.02572141,2.7355015,-2.467375,-1.189,0.123,2.7162509,-2.0881784,-2.7755576e-017,0.106634,2.9937041,17.736034,1,0.125,0,13,0,8,3,1,0.125,13,0,6.3618073,5.1293344,2.1547005,2.1547005,3.5158553,3.7998524,0.91068363,0.91068363,2,2,1.0611362,4,-2,-1.0336426,-0.63514656,-0.1342786,1.917007,-1.349,-0.68174231,-0.037,1.9758325,-0.49570802,-0.16,-0.054299999,2.1990387,6.125,1.4911243,0.91836733,7.5980849,1.9117185,1.2113749,1.8156749,4,0,1,0,-1.307,0.43652001,2.7270834,1,1,3,1,1,1,0,0,0,0.56212306,-2.5621231,0.29387033,0.2725077,12.796158,4.2653861,9.1703148,6.4254417,0,0,0,18.747677,0,13.666999,0,0,0,49.691166,0.56701112,0.71543735,0.43298888,0.43298888,0.28456262,0,65.071976,82.105843,49.691166,49.691166,32.657299,0,0.5,1,0,0,0,0,1,0,0,0,1,0,114.76315,0,0,0,114.76315,0,2,1,1,0,0,0,-2.4252999,67.301292,0,21.108021,0,0,0,0,0,0,47.107174,2.1255,78.301186,0,0,10.108133,0,0,0,47.107174,63.740002,0.8112781,4,1.892153,5.6637831,114.76315,128.20502,49.691166,47.187408,0,0,47.846001,13.666999,49.691166,136.043,61,7,42,0.55092347,0.00074333587,0,0,0,1,0.9495826587080002,1
31,FC(F)(F)c1c2nc(cc(c2ccc1)C(O)C1NCCCC1)C(F)(F)F,0.44,0.56,Positive,Positive,1,LT01514,4046,mefloquine,1989,Less-DILI-Concern,7,Adverse reactions,Yes,vLess-DILI-Concern,FC(F)(F)c1c2nc(cc(c2ccc1)C(O)C1NCCCC1)C(F)(F)F,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=09716a24-d7da-42b2-af29-c03a1b6670bd,2,47.59948,0,0,2,3,2,0,10,1,43,1,3,26,23,76.845871,1.7871133,0,0,17,0,6,17,0,2,1,0,0,1.8653611,-2.7801654,-0.50160486,0.62621433,2.7874463,-3.4196818,-0.47898147,0.65692502,2.7300479,-2.5807784,-0.40810493,0.72968906,2.9828618,27.122519,2,0.071428575,11,45,0,28,4,4,0.14285715,34,0,19.11252,13.532093,9.7925291,10.698306,12.087354,8.1825113,5.601624,6.7852583,2,2,0.9012295,10,1,-0.86746746,-0.33719581,0.12513001,2.8234236,-2.2476563,-0.28870773,0.26019999,2.8526297,-0.63568562,-0.20075694,0.16345519,3.0313387,20.727041,7.7879934,4.54321,16.841908,6.2724204,3.6359725,4.0630589,3,3,1,0,4.2745199,-4.5071602,8.3909264,0,1,17,1,3,4,0,0,0,3.1917276,-2.1917276,0.1360517,0.17392564,36.502171,56.223503,14.750441,0,10.324173,0,35.329029,44.120975,24.509808,0,71.451813,5.6825762,0,7.7675405,0.80726886,0.50065774,0.043859739,0.19273113,0.49934229,0.14887139,247.55872,153.53271,13.450116,59.103317,153.12932,45.653202,0.5,1,0,0,0,0,1,0,0,0,1,0,306.66202,0,0,0,306.66202,0,5,0,3,0,0,1,4.1402001,43.395977,16.78553,3.9819686,18.439579,9.1278973,0,15.519032,75.289841,63.073864,89.760681,8.1483202,0,149.94218,15.519032,19.578516,4.7171016,127.17796,18.439579,0,49.73,0.41210872,5.8073549,3.1172276,9.1598768,306.66202,420.89612,5.6825762,0,5.6825762,5.6825762,255.68459,0,24.932074,379.32397,1491,45,142,0.39203703,0.61039567,0.2,0,0,0,0.4716125950210001,1
32,Fc1ccc(cc1)CN/C(/O)=C\1/N=C(N(C)C(=O)C/1=O)C(NC(=O)c1oc(nn1)C)(C)C,0.38,0.62,Positive,Positive,1,LT00642,11598201,raltegravir,2007,Most-DILI-Concern,7,Warnings and precautions,Yes,vMost-DILI-Concern,Fc1ccc(cc1)CN/C(/O)=C\1/N=C(N(C)C(=O)C/1=O)C(NC(=O)c1oc(nn1)C)(C)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=89a5ec53-d956-4329-8004-0f40f51c88a3,2,59.702862,0,0,2,4,6,1,11,0,52,2,8,32,14,96.426323,1.8543525,0,0,20,0,1,20,0,6,5,0,0,1.6050234,-2.6096053,-0.61460966,0.39773196,2.6135597,-2.7791979,-0.53807992,0.57696289,2.5266726,-2.3403866,-0.38698083,0.69144541,2.8830147,34.755138,6,0.17647059,11,54,5,34,4,7,0.20588236,38,0,23.629028,17.724567,12.516508,13.809036,14.990909,9.4310551,4.9249206,6.2406001,0,0,0.82622606,17,-1,-0.91830754,-0.46977419,-0.022207862,2.6471171,-1.1618826,-0.37694263,0.025195537,2.6107724,-0.51212484,-0.21605732,0.18191212,2.9189196,26.602076,11.16,6.5759635,18.828453,7.8037853,4.559154,4.5916624,11,2,1,1,1.1670001,-4.7114401,11.08943,0,1,18,1,3,6,1,0,0,2.7576733,-3.7576733,0.11221589,0.12939034,101.70177,17.061544,26.910959,8.6190128,12.949531,8.458519,38.848595,96.766029,26.718348,18.842079,0,17.591211,40.700764,16.34446,0.68739498,0.50279593,0.17296457,0.31260502,0.49720407,0.13964045,296.61975,216.96289,74.636436,134.89308,214.54993,60.256645,0.47058824,0.8888889,0,0,0,0,1,0,0,0,1,0,431.51282,0,0,0,431.51282,0,9,0,3,0,0,1,1.1209199,36.0215,54.983429,99.528793,0,37.08778,61.946812,0,70.572739,0,133.37773,10.69494,123.77734,68.195969,45.142521,15.982309,0,89.012314,18.533098,132.87523,152.85001,0.35236704,6.0874629,3.7615516,9.7053919,431.51282,536.67517,78.792336,13.566921,0,11.365152,235.49586,86.90049,90.157494,443.41498,3111,52,168,0.0037873681,0.54751569,0.30000001,0,0,0,0.05122794490310001,1
33,O=C1N(CCc2n(c3c(c12)cccc3)C)Cc1nc[nH]c1C,0.54000002,0.46000001,Negative,Positive,1,LT01070,2099,alosetron,2000,Less-DILI-Concern,4,Adverse reactions,Yes,vLess-DILI-Concern,O=C1N(CCc2n(c3c(c12)cccc3)C)Cc1nc[nH]c1C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=526ba44c-a476-4675-a63c-4d0a72b723f5,2,47.124275,0,0,1,1,3,0,14,0,40,2,5,22,15,60.331604,1.5082902,0,0,17,0,0,18,0,4,1,0,0,1.481707,-2.5867288,-0.51947176,0.60506994,2.5720351,-2.6422148,-0.42564571,0.69889748,2.5649085,-2.3110301,-0.36069635,0.75868237,2.8514066,26.575726,2,0.079999998,15,43,1,25,2,2,0.079999998,27,0,15.26722,12.75796,10.508072,11.698306,10.664703,7.5095515,4.5344572,5.8770099,0,0,0.72355318,10,0,-0.86958194,-0.37464997,0.062403172,2.6861634,-0.93164653,-0.27800554,0.1435125,2.7519431,-0.50704581,-0.18970408,0.17352395,2.9729731,15.5232,6.1358657,2.6063101,10.832113,4.2015314,1.7603157,2.0687029,5,1,1,0,1.768,-2.7841499,8.5207615,0,1,20,1,4,2,0,0,0,1.7652547,-1.7652547,0.14571537,0.19721332,110.09338,68.929657,4.2653861,8.6190128,0,12.949531,0,31.002581,36.764713,0,0,5.6825762,13.566921,0.13689101,0.88926458,0.29846063,0.066389315,0.11073541,0.7015394,0.04434609,259.67474,87.153679,19.386389,32.335918,204.85696,12.949531,0.5,1,0,0,0,0,1,0,0,0,1,0,292.01065,0,0,0,292.01065,0,5,0,4,0,0,1,3.03389,0,27.06772,16.78553,18.439579,35.318035,18.868406,0,92.075371,0,84.662781,8.5174198,23.862217,21.808937,16.78553,11.455817,4.7171016,124.66625,23.698362,66.223206,53.919998,0.47938794,5.643856,3.1311238,8.6304626,292.01065,406.82291,13.566921,0,0,0,214.16467,37.740047,24.932074,294.358,997,38,124,0.10433874,0.63471985,0.1,0,0,1,0.885713770986,1
34,n1c2c(ncc1)cc1[C@@H]3C[C@H](c1c2)CNC3,0.80000001,0.2,Negative,Positive,1,LT01242,5310966,varenicline,2006,Less-DILI-Concern,2,Adverse reactions,Yes,vLess-DILI-Concern,n1c2c(ncc1)cc1[C@@H]3C[C@H](c1c2)CNC3,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=f0ff4f27-5185-4881-a749-c6b7a0ca5696,2,35.515102,1,1,0,0,2,0,10,1,30,0,2,16,13,41.043144,1.3681048,0,0,13,0,0,14,0,3,0,0,0,1.5806438,-2.7232366,-0.61250222,0.74012136,2.8087285,-3.4076207,-0.56144553,0.75121868,2.7957101,-2.5224295,-0.48632076,0.87941176,3.0316656,17.944899,0,0,11,33,0,19,2,0,0,22,0,10.53517,9.0571995,7.585422,8.4138489,7.9158163,5.9784851,4.1983771,5.0993195,2,2,0.71410584,7,1,-0.87273473,-0.3703118,0.16616802,2.7371645,-2.2474253,-0.31654203,0.17738688,2.7549024,-0.63605022,-0.22489567,0.2155654,2.9673634,9.9722996,3.75,1.5157645,7.5126715,2.7668126,1.1009234,1.2991346,3,2,1,0,0.93652999,-0.74526,6.2542515,0,1,19,1,4,0,0,0,0,2.007762,-1.0077618,0.17267752,0.34532523,50.553375,73.906837,0,0,0,0,17.238026,37.628201,0,0,0,0,11.365152,0,0.85000294,0.25692454,0.059599649,0.14999706,0.74307543,0.09039741,162.08841,48.993351,11.365152,28.603178,141.69824,17.238026,0.42857143,0.75,0,0,0,0,1,0,0,0,1,0,190.69159,0,0,0,190.69159,0,4,0,4,0,0,0.25,0.77770001,18.01075,33.57106,0,36.879158,6.37115,0,8.8215923,74.003357,18.868406,0,6.1296401,0,51.58181,0,15.192742,4.2882738,88.583488,36.879158,0,42.389999,0.60591632,5.2479277,2.6295621,7.7152014,190.69159,297.26126,11.365152,0,5.6825762,5.6825762,150.85677,0,17.047728,212.276,386,27,94,0.29328346,0.022624712,0,0,0,0,0.20829677092878,1
35,O1CC2=C(C=C3N(Cc4c3nc3c(cc(OC(=O)N5CCC(N6CCCCC6)CC5)cc3)c4CC)C2=O)[C@@](O)(CC)C1=O,0.62,0.38,Negative,Positive,1,LT01466,60838,irinotecan,1996,Less-DILI-Concern,3,Adverse reactions,Yes,vLess-DILI-Concern,O1CC2=C(C=C3N(Cc4c3nc3c(cc(OC(=O)N5CCC(N6CCCCC6)CC5)cc3)c4CC)C2=O)[C@@](O)(CC)C1=O,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=e98886aa-933c-430f-bb56-f1eb3862aae4,2,93.296928,0,0,2,3,5,0,10,1,82,1,6,43,30,125.2138,1.5269976,0,0,33,0,0,39,0,4,6,0,0,0.98011893,-2.862052,-0.46696892,0.54156661,2.8377852,-3.5107071,-0.49945652,0.62343192,2.7180502,-2.6477814,-0.34706166,0.72944456,3.0477273,55.941074,5,0.10204082,11,88,5,49,5,6,0.12244898,72,0,29.87974,24.909235,20.57914,22.026369,20.817049,15.759834,10.960308,12.669182,1,1,0.74599528,21,1,-0.88260609,-0.42210025,0.012452925,3.0546091,-2.2597885,-0.32706672,0.10515514,3.0650218,-0.62998056,-0.20610996,0.16148168,3.2952349,31.591837,12.892987,5.6560898,25.146639,10.203862,4.4580951,5.9672751,10,2,1,1,4.3509998,-6.6680999,15.972548,0,1,37,0,7,8,3,0,0,4.2662497,-3.2662499,0.086327858,0.1145147,154.99069,141.68141,0,0,10.324173,27.65803,27.818523,94.734718,37.495354,0,0,19.249496,29.637598,10.271297,0.77438557,0.34555304,0.10681084,0.22561446,0.65444696,0.11880361,428.90219,191.38847,59.15839,124.95911,362.47284,65.800728,0.47619048,0.90909094,0,0,0,0,1,0,0,0,1,0,553.86133,0,0,0,553.86133,0,11,1,7,0,0,1,2.7867701,39.50943,43.355042,62.706287,94.68457,9.1278973,25.239555,0,78.046585,113.21043,114.19725,15.82455,85.710854,59.419273,0,24.724443,7.4738488,221.09116,115.00546,66.652031,113.71,0.29901332,6.6147099,4.1347694,10.527176,553.86133,787.80255,46.383339,0,0,0,402.56577,51.865055,59.95026,587.69696,7049,86,246,0.29728043,0.78817445,1,4,3,0,0.0652442444116,1
36,O=C1c2c(n(c3c2cccc3)C)CCC1Cn1ccnc1C,0.50999999,0.49000001,Negative,Positive,1,LT01619,4595,ondansetron,1991,Less-DILI-Concern,7,Adverse reactions,Yes,vLess-DILI-Concern,O=C1c2c(n(c3c2cccc3)C)CCC1Cn1ccnc1C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=91eddc2b-50d6-4f5b-8916-62525fbdc375,2,48.451069,0,0,1,1,2,0,14,0,41,0,2,22,16,59.135471,1.4423286,0,0,18,0,0,19,0,3,1,0,0,1.4814013,-2.6267705,-0.51500624,0.59146494,2.6587417,-2.5944932,-0.42452222,0.68230897,2.7024851,-2.3839929,-0.37679723,0.76202083,2.9119854,27.008932,2,0.079999998,15,44,1,25,3,2,0.079999998,28,0,15.26722,12.912662,11.162772,12.405413,10.664703,7.7477994,5.3694086,6.7852583,1,1,0.70697534,10,0,-0.86927831,-0.37718719,0.04693697,2.7515702,-0.8123613,-0.27438679,0.1222753,2.8378713,-0.51926869,-0.18926258,0.17231084,3.0303762,15.5232,6.1358657,2.6063101,11.126859,4.3223038,1.812894,2.1860759,4,0,1,0,2.7179999,-2.4535999,8.6899014,0,1,20,1,4,2,0,0,0,1.4761744,-1.4761744,0.11529333,0.23449168,143.18904,25.592316,11.190562,8.458519,0,0,0,48.405209,36.764713,0,0,5.6825762,13.566921,0,0.93426836,0.35656297,0.065731622,0.065731622,0.64343703,0,273.60037,104.41942,19.249496,19.249496,188.43044,0,0.5,1,0,0,0,0,1,0,0,0,1,0,292.84985,0,0,0,292.84985,0,5,1,4,0,0,1,3.7540901,0,26.271326,0,0,36.543255,18.868406,0,109.71855,18.868406,84.662781,8.6510496,23.862217,20.583715,4.4107962,8.2702427,4.7171016,161.17784,5.6876111,66.223206,39.82,0.47938794,5.643856,3.1311238,8.6304626,292.84985,414.96494,19.249496,0,0,0,239.08212,19.649082,19.249496,293.37,997,38,124,0.19593273,0.65364993,0.1,0,0,0,0.3177209869027001,1
37,S1c2c(N(CCN(C)C)C(=O)[C@H](OC(=O)C)[C@@H]1c1ccc(OC)cc1)cccc2,0.60000002,0.40000001,Negative,Positive,1,LT01292,39186,diltiazem,1982,Most-DILI-Concern,4,Warnings and precautions,Yes,vMost-DILI-Concern,S1c2c(N(CCN(C)C)C(=O)[C@H](OC(=O)C)[C@@H]1c1ccc(OC)cc1)cccc2,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=a662fc04-c296-4c24-8e36-ce7f9bcbd2ed,2,65.03141,0,0,1,2,3,0,12,1,56,0,3,29,21,88.72242,1.5843289,0,0,22,0,0,27,0,2,4,0,1,1.8434407,-2.6702917,-0.54203278,0.58393151,2.658277,-3.4779596,-0.4870232,0.57302797,2.6557014,-2.4636242,-0.39276388,0.71644503,2.9098129,40.844589,6,0.19354838,12,58,2,31,5,7,0.22580644,44,0,20.965891,17.992668,14.187716,15.68987,13.901086,10.456322,5.559401,7.3601732,2,2,0.74203426,13,1,-0.88568097,-0.38851294,0.048467103,2.8507068,-2.2595935,-0.30784759,0.13186084,2.8890569,-0.63051063,-0.19254017,0.1553226,3.118345,23.658689,11.039481,6.0357141,19.363047,8.966712,4.875071,5.9869957,6,1,1,0,3.2639999,-4.7585301,11.638152,0,1,18,1,3,7,0,0,0,3.3472037,-2.3472037,0.10397084,0.14822412,64.991478,182.48961,0,4.9049287,0,27.65803,8.6190128,51.228157,49.019615,19.760618,0,0,27.133842,5.0075121,0.84479034,0.34515727,0.07291384,0.15520965,0.65484273,0.082295805,372.39441,152.14975,32.141354,68.418396,288.66306,36.277042,0.46153846,0.85714287,0,0,0,0,1,0,0,0,1,0,440.81281,0,0,0,440.81281,0,7,0,3,0,0,1,2.0469,17.248516,13.004248,65.19297,36.879158,3.185575,102.72897,0,141.14548,2.7759552,73.545731,11.37307,61.848633,10.999887,4.6750479,17.673607,2.7567475,141.14548,49.883404,166.7238,60.279999,0.3796615,5.9541965,3.3409369,9.4697104,440.81281,559.99298,29.637598,0,0,0,353.88773,30.161787,29.637598,415.534,2077,50,148,0.40038949,0.88705176,0.1,2,0,0,0.7920333743100001,1
38,S(=O)(=O)(Nc1ncccc1)c1ccc(N\N=C/2\C=C(C(O)=O)C(=O)C=C\2)cc1,0.20999999,0.79000002,Positive,Positive,1,LT00147,5353980,sulfasalazine,1950,Most-DILI-Concern,5,Warnings and precautions,Yes,vMost-DILI-Concern,S(=O)(=O)(Nc1ncccc1)c1ccc(N\N=C/2\C=C(C(O)=O)C(=O)C=C\2)cc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=599be7ea-4036-4e43-a411-1c42369b1b8c,2,51.65831,0,0,2,4,5,2,12,0,41,2,7,28,14,76.885628,1.8752592,0,0,18,0,0,13,0,4,5,0,1,1.3801115,-2.333214,-0.60853773,0.67662007,2.4264057,-2.4319248,-0.58009404,0.76586848,2.4103811,-1.9922342,-0.46749339,0.81380922,2.7682986,26.201691,6,0.2,12,43,5,30,3,6,0.2,26,0,20.148054,15.011267,9.850853,11.819627,13.348174,9.364213,5.0980763,7.3409014,0,0,0.85199112,16,-1,-0.87272429,-0.472305,0.082036763,2.4179082,-1.4898143,-0.42486468,0.15683781,2.480365,-0.40470883,-0.20626137,0.19169995,2.7250204,22.68,10.346939,6.4975009,16.277859,7.3276615,4.5578914,4.2599516,9,2,1,0,3.7720001,-4.0104799,10.134611,0,1,19,1,3,5,1,0,0,1.9332898,-2.9332898,0.15493062,0.18563077,44.608463,76.946312,0,27.183142,0,4.1846013,0,61.274521,53.510628,34.546043,13.296394,0,13.566921,32.816418,0.86028385,0.57748443,0.12815434,0.13971613,0.42251557,0.011561798,311.36551,209.01093,46.383339,50.56794,152.92252,4.1846013,0.5,1,0,0,0,0,1,0,0,0,1,0,361.93344,0,0,0,361.93344,0,8,1,3,0,0,1,0.4655,42.683342,109.15881,54.365173,0,0,21.399317,0,193.64619,0,5.0846677,9.97822,138.57947,33.448536,1.5507339,3.185575,39.377895,193.64619,9.9083662,6.6407428,140.64999,0.38983503,5.9068904,3.8178589,9.2752714,361.93344,466.42624,87.8209,27.133842,0,17.496246,191.47714,51.162743,105.31715,397.39099,2428,42,144,0.21629107,0.15532152,0.1,0,0,2,1.793350800871,1
39,Oc1cc(ccc1O)C[C@H](N)C(OC)=O,0.50999999,0.49000001,Negative,Positive,1,LT00121,38853,methyldopa,1962,Most-DILI-Concern,8,Warnings and precautions,Yes,vMost-DILI-Concern,Oc1cc(ccc1O)C[C@](N)(C(O)=O)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=227291e5-9baa-476a-93b8-b2142e61a4fe,1,31.243101,1,1,0,0,3,0,6,1,29,2,5,15,9,46.3592,1.5985931,0,0,10,0,0,14,0,1,4,0,0,2.3458576,-2.5061624,-0.43071076,0.56928742,2.5990012,-3.3063178,-0.44059089,0.49606234,2.4675498,-2.3340433,-0.31706274,0.6507203,2.771704,16.858898,3,0.2,6,29,1,15,4,4,0.26666668,22,0,11.422285,8.4345388,6.0165076,6.7151785,7.0409126,4.4604692,2.7885108,3.6161563,1,1,0.77446741,9,1,-0.84263605,-0.38821343,0.1855561,2.4025936,-2.2350645,-0.30420285,0.073320203,2.4048967,-0.64087909,-0.20736741,0.14974481,2.6090424,13.066667,5.915,3.8109641,10.32718,4.5893908,2.9124074,3.1596975,5,5,1,0,0.55900002,-0.77114999,5.4979582,0,1,6,1,1,3,0,0,0,2.7865965,-1.7865964,0.12400651,0.19997498,42.229744,25.592316,21.182425,3.1459606,20.648346,0,40.565536,26.718348,12.254904,0,0,0,13.566921,19.144272,0.58264571,0.31852847,0.14535157,0.41735432,0.68147153,0.27200276,131.1237,71.684441,32.711193,93.925072,153.36433,61.213882,0.44444445,0.80000001,0,0,0,0,1,0,0,0,1,0,225.04877,0,0,0,225.04877,0,5,0,1,0,0,1,-0.57622999,83.667641,7.7454643,38.844074,0,3.185575,54.252274,0,52.929554,0,10.486856,5.2167702,34.862103,50.770454,32.897186,17.6544,0,71.797958,7.7454643,35.383869,94.400002,0.56650949,4.9068904,2.9251337,7.4932137,225.04877,274.02701,13.566921,0,17.742489,17.742489,124.71754,17.212255,58.443253,212.22499,394,20,70,0.039699394,0.011528551,0,0,0,0,0.08562658424484,1
40,Clc1c2O[C@]3([C@@H](CC(=O)CC3OC)C)C(=O)c2c(OC)cc1OC,0.18000001,0.81999999,Positive,Positive,1,LT00558,441140,griseofulvin,1962,Most-DILI-Concern,8,Warnings and precautions,Yes(literature),vMost-DILI-Concern,Clc1c2O[C@]3([C@@H](CC(=O)C=C3OC)C)C(=O)c2c(OC)cc1OC,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=39ac6363-93bc-4e12-a7a7-667eafac42a5,1,49.581066,0,0,2,3,6,0,6,0,43,0,6,24,16,67.622116,1.5726074,0,0,17,1,0,19,0,0,6,0,0,1.977434,-2.7184162,-0.56930113,0.40906674,2.8233309,-2.8243024,-0.45998836,0.38347378,2.7508054,-2.5032468,-0.25713086,0.64278227,3.039222,30.770933,3,0.11538462,6,45,2,26,4,3,0.11538462,37,0,17.645901,14.729648,11.146264,11.817472,11.399449,8.0077925,4.7556543,5.5595322,3,3,0.82363206,10,0,-0.80442059,-0.44832009,-0.088959828,2.8425026,-0.95874149,-0.2678293,-0.0018359361,2.8689046,-0.52457178,-0.16339055,0.14723957,3.0780642,18.781065,6.9575,2.7315238,16.635956,6.1287179,2.3965499,4.2482114,6,0,1,0,2.175,-3.5142701,8.7705488,0,1,16,1,3,5,0,0,0,2.1175387,-2.1175387,0.095882669,0.17757446,138.77359,66.044823,26.341715,0,8.458519,0,0,0,48.329624,0,0,0,27.133842,10.015024,0.85971153,0.26293215,0.11427005,0.14028849,0.73706782,0.026018437,279.48975,85.478493,37.148865,45.607388,239.61865,8.458519,0.5,1,0,0,0,0,1,0,0,0,1,0,325.09714,0,0,0,325.09714,0,5,1,3,0,0,1,2.6851001,32.999664,11.375222,41.330753,0,31.458588,106.1516,3.5006065,17.643185,37.736813,88.204941,8.6447496,58.724319,32.999664,4.4107962,28.885115,0,55.379993,11.375222,178.62627,71.059998,0.43739632,5.7004399,2.9795046,8.9289761,325.09714,430.75787,37.148865,0,0,0,256.16208,16.917038,37.148865,354.78598,1137,50,132,0.65471417,0.2309996,0,0,0,0,0.1234867516905,1
41,NC1CCCCC1N,0.74000001,0.25999999,Negative,Positive,1,LT01181,9887054,oxaliplatin,2002,Most-DILI-Concern,4,Warnings and precautions,Yes,vMost-DILI-Concern,[Pt+2].O=C([O-])C(=O)[O-].N[C@@H]1CCCC[C@H]1N,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=3c740b43-f396-4998-bc66-6964a21f7161,2,23.428688,1,1,0,0,0,0,0,2,24,0,0,8,6,28.529325,1.1887219,0,0,6,0,0,16,0,2,0,0,0,2.2794003,-2.7862055,-0.11277611,0.43179962,2.8238587,-3.4244807,-0.063015059,0.33386135,2.7805996,-2.598361,-0.05825932,0.28151768,3.0074141,14.851312,0,0,0,24,0,8,3,0,0,24,0,5.9831276,5.3973413,3.9831276,3.9831276,3.8045304,3.4663265,2.6498299,2.6498299,2,2,0.63264316,4,2,-0.85352194,-0.17146146,0.18530813,2.5887074,-2.2362411,-0.11881185,0.072044201,2.4980347,-0.64470255,-0.10714997,0.0080849947,2.7230356,6.125,2.52,1.4876033,6.125,2.52,1.4876033,1.9293751,2,6,1,1,0.116,0.1196,3.43028,0,1,6,1,1,2,1,0,0,2.8020048,-0.80200469,0.1232361,0.4411006,51.525715,0,14.822693,0,0,0,51.714077,17.402626,0,0,0,0,0,2.2108686,0.60831988,0.14246127,0.016058492,0.39168012,0.8575387,0.37562165,83.751038,19.613495,2.2108686,53.924946,118.06248,51.714077,0.25,0.33333334,0,0,0,0,1,0,0,0,1,0,137.67598,0,0,0,137.67598,0,3,0,1,0,0,1,-1.2186,65.794373,0,7.9639373,0,0,0,0,0,75.473625,0,3.1820199,0,0,65.794373,7.9639373,0,75.473625,0,0,55.279999,0.8112781,4,1.8352377,5.6729054,137.67598,183.68648,0,0,35.484978,35.484978,76.63308,0,35.484978,116.208,60,8,36,0.20711026,0.001186515,0,0,0,0,0.1681641489266,1
42,FC1(F)[C@H](O)[C@H](O[C@H]1N1C=CC(=NC1=O)N)CO,0.2,0.80000001,Positive,Positive,1,LT01407,60750,gemcitabine,1996,Most-DILI-Concern,8,Warnings and precautions,Yes,vMost-DILI-Concern,FC1(F)[C@H](O)[C@H](O[C@H]1N1C=CC(=NC1=O)N)CO,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=dc02a23b-3ff9-4441-aa91-8e9e629a7315,2,30.796722,0,0,1,2,5,0,0,0,29,3,8,18,8,59.543488,2.0532238,0,0,9,0,2,11,0,3,4,0,0,2.1339087,-2.4772916,-0.60919106,0.70029688,2.8188698,-2.6965969,-0.64482731,0.5534302,2.5963464,-2.3108914,-0.50442719,0.78222293,2.9641638,19.945276,2,0.10526316,0,30,3,19,4,2,0.10526316,27,0,13.499636,9.0324879,5.0938582,5.5080719,8.3742456,5.0447536,1.9409404,2.2271802,3,3,0.94928914,9,0,-0.84310907,-0.4299098,0.16252016,2.5306525,-1.370375,-0.46195138,0.17666905,2.417428,-0.52494383,-0.24323295,0.21016844,2.7224405,14.409972,5.1747918,2.5246549,11.365081,4.0198193,1.9392012,2.5380874,7,4,1,0,-0.93808001,-0.97829002,5.4401073,0,1,11,1,2,3,0,0,0,2.5874746,-2.5874746,0.13619828,0.15164007,16.745916,44.808994,16.095491,22.142954,30.044285,0,19.673738,12.254904,0,0,29.499847,13.566921,0,24.689957,0.61670554,0.34859958,0.16667992,0.38329446,0.65140039,0.21661456,141.54811,80.011627,38.256878,87.974899,149.51138,49.718025,0.44444445,0.80000001,0,0,0,0,1,0,0,0,1,0,229.52301,0,0,0,229.52301,0,5,0,2,0,0,1,-0.99370003,83.667641,12.106263,29.977009,20.926258,0,16.78553,0,34.85754,0,53.782444,5.4698,34.862103,100.60052,1.824073,18.977119,32.897186,34.85754,28.084135,0,108.38,0.52150291,5.2479277,2.8393276,8.0661707,229.52301,277.2601,21.753254,0,0,17.742489,101.13398,41.580635,66.629585,263.19998,560,31,96,0.044568792,0.020675452,0,0,0,0,0.178568352014,1
43,s1cc(nc1)-c1[nH]c2c(n1)cccc2,0.33000001,0.67000002,Positive,Positive,1,LT00635,5430,thiabendazole,1967,Most-DILI-Concern,7,Warnings and precautions,Yes,vMost-DILI-Concern,s1cc(nc1)-c1[nH]c2c(n1)cccc2,http://www.accessdata.fda.gov/drugsatfda_docs/label/2003/16096slr033 16097slr026_mintezol_lbl.pdf,2,28.46755,1,1,0,0,3,0,14,0,21,2,5,14,10,34.613014,1.6482387,0,0,10,0,0,7,0,3,0,0,1,1.6332153,-2.1057973,-0.61922735,0.71257299,2.1786013,-1.9491365,-0.53146791,0.80763149,2.3347681,-1.7703822,-0.45683599,0.96069425,2.5249133,13.232449,1,0.0625,15,23,0,16,1,1,0.0625,8,0,9.3804693,8.0832739,5.4641018,6.5520415,6.932653,5.2092581,2.3660254,3.3914115,0,0,0.80351228,7,0,-0.826105,-0.42186159,0.10836491,2.1829083,-0.77721721,-0.30738351,0.20123096,2.334163,-0.4191024,-0.20084983,0.31949422,2.5172088,9.2421875,3.8677685,1.76,6.7740855,2.7600982,1.2303727,1.3355101,3,1,1,0,2.0850599,-3.32867,5.7811561,0,1,15,1,3,1,0,0,0,1.1196216,-1.1196216,0.15363103,0.30071124,0,45.690971,0,39.570194,0,0,0,43.231785,38.740772,0,0,5.6825762,5.6825762,0.13689101,0.93564779,0.52297646,0.064352222,0.064352222,0.47702351,0,167.23372,93.474602,11.502043,11.502043,85.261162,0,0.42857143,0.75,0,0,0,0,1,0,0,0,1,0,178.73576,0,0,0,178.73576,0,4,0,3,0,0,1,2.6863999,0,33.57106,16.78553,0,0,0,0,111.14887,0,31.277687,5.72017,0,33.57106,16.78553,0,9.372942,101.77593,0,31.277687,41.57,0.64206427,5,2.6603594,7.2984648,178.73576,250.46663,5.6825762,0,0,0,143.15338,11.190562,17.047728,201.25301,293,17,76,0.25032568,0.067395307,0,0,0,1,0.838610112667,1
44,s1c(nc(C)c1C(O)=O)-c1cc(C#N)c(OCC(C)C)cc1,0.2,0.80000001,Positive,Positive,1,LT00554,134018,febuxostat,2009,Most-DILI-Concern,8,Warnings and precautions,Yes,vMost-DILI-Concern,s1c(nc(C)c1C(O)=O)-c1cc(C#N)c(OCC(C)C)cc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=54de10ef-fe5f-4930-b91d-6bbb04c664bd,2,45.667896,0,0,1,2,2,2,11,0,37,0,2,22,15,63.391529,1.7132845,0,0,16,0,0,15,0,2,3,0,1,1.8874654,-2.5963585,-0.54551542,0.50099415,2.5573742,-2.5712273,-0.45787859,0.62966263,2.6162434,-2.3583467,-0.33696395,0.77983195,2.7946088,24.490105,5,0.2173913,11,38,1,23,4,6,0.26086956,25,1,16.275656,13.360425,10.016508,11.154336,10.417923,7.5975957,4.8009825,6.014874,0,0,0.78417921,12,-1,-0.83939201,-0.46366754,-0.014993003,2.4065876,-1.4896741,-0.31988582,0.13743801,2.541708,-0.52978307,-0.19310088,0.19740218,2.7021728,18.340265,8.203125,4.75,14.469584,6.3935905,3.6696174,4.2051182,5,0,1,0,3.4119999,-4.7683902,8.7020741,0,1,11,1,2,6,0,0,0,1.2079915,-2.2079914,0.15486702,0.24706408,58.029022,61.653782,20.299505,19.760618,0,0,0,49.650627,49.750259,0,17.742489,0,5.6825762,29.637598,0.88686919,0.48834205,0.11313082,0.11313082,0.51165795,0,276.88629,152.46355,35.320175,35.320175,159.74294,0,0.5,1,0,0,0,0,1,0,0,0,1,0,312.20648,0,0,0,312.20648,0,6,0,2,0,0,1,2.388504,53.683231,18.249538,0,68.587364,35.573734,0,0,57.044701,0,136.49916,8.1665497,66.545563,58.844772,4.4107962,29.145899,4.115149,52.929554,22.390266,131.25574,86.040001,0.4530769,5.523562,3.3751283,8.6079159,312.20648,402.16956,50.558907,27.133842,0,0,212.11383,37.511761,50.558907,315.37299,1130,32,110,0.22315688,0.36887649,0.2,0,0,0,0.0545607861132,1
45,O=C1CC[C@@H]2[C@@H]3[C@H]([C@@H]4CC[C@H](OC(=O)CCCCCCCCC)[C@]4(CC3)C)CCC2=C1,0.75,0.25,Negative,Positive,1,LT02121,9904,nandrolone decanoate,1959,Most-DILI-Concern,7,Warnings and precautions,Yes(literature),vMost-DILI-Concern,O=C1CC[C@@H]2[C@@H]3[C@H]([C@@H]4CC[C@H](O)[C@]4(CC3)C)CCC2=C1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=3f059e04-1ebc-40bb-a49c-f9d90d41b1cb,2,81.024895,0,0,2,3,2,0,0,0,75,0,2,31,26,87.585587,1.1678078,0,0,28,0,0,44,0,0,3,0,0,1.2489032,-2.9294903,-0.48780096,0.41938379,2.9496598,-2.8501794,-0.41000226,0.42985576,3.0248928,-2.6745827,-0.32358077,0.59443903,3.2013078,51.933109,9,0.2647059,0,78,3,34,10,10,0.29411766,75,0,21.846724,20.002556,18.777811,19.139618,15.025023,13.454012,12.605937,13.053826,6,6,0.66003478,20,0,-0.80272818,-0.39229667,0.0068290983,3.2891932,-0.85167569,-0.28157812,0.026670389,3.3735013,-0.53793204,-0.21191959,0.12736532,3.513098,24.134949,10.950521,5.3994489,22.139332,10.0151,4.9274402,7.1525035,3,0,1,1,6.9039998,-8.3752298,12.649731,0,1,20,1,4,9,1,0,0,1.8341209,-1.8341209,0.14308284,0.16973931,196.54884,13.4357,0,8.458519,0,14.708499,0,81.86541,91.911774,0,0,0,27.133842,2.503756,0.89842069,0.46594244,0.067887962,0.10157929,0.53405756,0.033691328,392.22025,203.41478,29.637598,44.346096,233.15157,14.708499,0.5,1,0,0,0,0,1,0,0,0,1,0,436.56635,0,0,0,436.56635,0,10,1,4,0,0,1,7.1806998,0,13.433075,65.19297,0,17.643185,3.185575,0,17.643185,301.8945,66.652031,12.4583,58.724319,0,17.643185,9.6542244,0,319.53766,13.433075,66.652031,43.369999,0.36875206,6.0874629,3.9529152,9.5569382,436.56635,649.44604,27.133842,0,0,0,347.06253,25.670774,27.133842,428.65698,3140,52,164,0.22888599,0.66446483,0.89999998,0,0,0,0.23015499790163,1
46,O=C(N)C/1=NC=N\C\1=N/NN(C)C,0.51999998,0.47999999,Negative,Positive,1,LT00288,5351166,dacarbazine,1975,Most-DILI-Concern,6,Box warning,Yes,vMost-DILI-Concern,O=C(N)C/1=NC=N\C\1=N/NN(C)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=b6b97e41-5f15-498c-abfb-d8443ea4d216,1,24.62993,0,0,1,2,5,0,0,0,23,2,7,13,2,39.803093,1.7305694,0,0,6,0,0,10,0,6,1,0,0,2.3349576,-2.4739206,-0.2186731,0.17604104,2.3503838,-2.6449239,-0.16470465,0.26031423,2.2256517,-2.194355,0.0067013656,0.3849743,2.6322083,15.19007,3,0.23076923,0,23,4,13,4,3,0.23076923,19,0,9.8449354,7.3518033,4.0773501,4.4391575,6.1090608,3.5216582,0.5,0.66666669,0,0,0.81571329,7,0,-0.84302187,-0.36659557,-0.03139342,2.066968,-1.3705168,-0.39007878,0.030825308,1.9442457,-0.51274449,-0.10646963,0.11688253,2.3607211,11.076923,5.0242214,3.3240998,7.4192719,3.2390385,2.073792,1.8485621,7,3,1,0,-1.837,-1.0573,4.4653172,0,1,6,1,1,3,0,0,0,1.6070615,-1.6070615,0.16900563,0.2268125,72.069695,0,25.502314,32.556591,11.190562,12.949531,0,0,0,7.6138182,9.4210396,11.365152,13.566921,6.6511192,0.72534782,0.23963147,0.15566908,0.27465218,0.76036853,0.1189831,147.16345,48.61805,31.583193,55.723286,154.26869,24.140093,0.42857143,0.75,0,0,0,0,1,0,0,0,1,0,202.88673,0,0,0,202.88673,0,4,1,1,0,0,1,-1.6657,50.662895,13.345243,40.647747,0,0,116.02844,0,0,0,0,4.9379101,23.862217,53.235859,17.765707,0,32.897186,0,10.343451,82.579903,95.440002,0.6193822,4.7004399,2.7016766,7.0802193,202.88673,223.34686,34.353111,0,0,30.901993,67.79892,55.630161,65.255104,182.187,262,14,60,0.083717637,0.0019089475,0,0,0,0,0.15953629370805,1
47,S=C1NC=CC(=O)N1CCC,0.07,0.93000001,Positive,Positive,1,LT00136,657298,propylthiouracil,1947,Most-DILI-Concern,8,Box warning,Yes,vMost-DILI-Concern,S=C1NC(=CC(=O)N1)CCC,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=120de758-f102-470a-892d-a61b18ff8f71,1,24.889931,1,1,0,0,2,0,0,0,21,1,3,11,5,37.367901,1.7794238,0,0,7,0,0,10,0,2,1,0,1,2.439487,-2.5764484,-0.48286557,0.53161025,2.5070903,-2.6604483,-0.45419979,0.6071201,2.5473065,-2.2987771,-0.27902523,0.7350933,2.7930264,15.67007,2,0.18181819,0,21,3,11,4,2,0.18181819,18,0,8.2675848,7.1491208,4.5689139,4.9831276,5.2532187,3.9477284,1.8291153,2.115355,0,0,0.79170382,6,0,-0.83058625,-0.3687672,0.078554273,2.1829796,-1.1353041,-0.29611948,0.12053895,2.1780784,-0.52279812,-0.18654941,0.21324182,2.4749627,9.090909,4.1326532,2.2145329,7.4084296,3.2915957,1.727986,2.2168686,3,1,1,0,0.33199999,-2.0710001,4.651082,0,1,6,1,1,2,0,0,0,0.95068979,-0.95068979,0.26575851,0.32526848,68.471558,8.5307722,40.003525,0,0,12.949531,0,25.447229,18.747677,0,0,0,13.703812,0,0.85811681,0.30821109,0.072949231,0.14188321,0.69178891,0.068933979,161.20076,57.89872,13.703812,26.653343,129.95538,12.949531,0.5,1,0,0,0,0,1,0,0,0,1,0,187.8541,0,0,0,187.8541,0,3,0,1,0,0,1,0.6268,18.01075,8.6676188,23.862217,18.439579,0,0,0,34.85754,18.868406,78.518044,4.68787,23.862217,3.1243138,18.01075,0,0,53.725948,23.982883,78.518044,64.43,0.68403846,4.4594316,2.3361123,6.6155171,187.8541,215.02486,44.951431,0,0,5.6825762,101.62445,26.116156,50.634007,170.23599,152,14,50,0.10186391,0.021622838,0,0,0,0,0.270966850221,1
48,O1[C@H](CO)[C@@H](O)C[C@@H]1n1c2NC=NC[C@@H](O)c2nc1,0.80000001,0.2,Negative,Positive,1,LT01651,40926,pentostatin,1991,Most-DILI-Concern,3,Box warning,Yes,vMost-DILI-Concern,O1C(CO)C(O)CC1n1c2NC=NC[C@@H](O)c2nc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=666ae812-b137-4577-9b50-7ba955a03b5b,2,38.303482,0,0,1,3,5,0,5,2,36,3,8,19,7,62.576683,1.7382412,0,0,11,0,0,17,0,4,4,0,0,1.6909121,-2.4937317,-0.55262846,0.75470817,2.7735496,-3.0655832,-0.67160004,0.5635944,2.7075887,-2.3106418,-0.47619164,0.82002908,2.950815,25.12052,2,0.095238097,5,38,1,21,4,2,0.095238097,32,0,13.405413,10.229738,6.585422,6.9996357,9.2027082,6.2117457,2.5050015,2.6329932,4,4,0.82039511,9,1,-0.82171327,-0.36608106,0.19361331,2.6946368,-2.2016094,-0.43300989,0.046203904,2.6362946,-0.56242168,-0.23693681,0.2041624,2.8913972,13.959184,5.7800002,2.6122448,11.392,4.6599464,2.0860953,2.7940059,8,5,1,0,-1.087,-0.4048,6.5296431,0,1,16,1,3,4,0,0,0,3.4522645,-2.4522645,0.065466285,0.15959652,17.232086,62.90625,43.842941,27.936478,68.79705,0,0,0,0,0,5.6825762,0,2.6406472,23.439512,0.62421525,0.1258042,0.10329695,0.37578475,0.87419581,0.27248779,157.60033,31.762735,26.080158,94.877205,220.7148,68.79705,0.44444445,0.80000001,0,0,0,0,1,0,0,0,1,0,252.47754,0,0,0,252.47754,0,5,0,3,0,0,1,-2.7174001,92.941208,36.695374,40.722717,39.365837,2.7567475,0,0,16.78553,31.376877,2.3279202,6.4544802,27.785418,94.840302,0,28.202517,20.338671,35.653934,39.365837,16.78553,113.74,0.51875818,5.3923173,2.9707344,8.2074604,252.47754,328.23331,8.1863317,0,11.365152,11.365152,90.241585,73.72113,60.252247,269.28101,670,32,102,0.057012483,0.11115167,0,0,0,0,0.1724261045456,1
49,O(CC(NN)C)c1ccccc1,0.66500002,0.33500001,Negative,Positive,1,LT00703,71467,phenoxypropazine,,Most-DILI-Concern,8,Withdrawn,,vMost-DILI-Concern,O(CC(NN)C)c1ccccc1,,1,28.177101,1,0,0,1,3,0,6,0,26,2,5,12,9,38.379139,1.4761207,0,0,9,0,0,14,0,2,1,0,0,2.0617054,-2.5806327,-0.59041458,0.61616063,2.5314841,-2.8275623,-0.51277411,0.69694608,2.4530022,-2.3241017,-0.43456432,0.75927287,2.7744021,15.900898,4,0.33333334,6,26,0,12,5,4,0.33333334,20,0,8.8115549,7.1568069,5.6712084,6.3973413,5.8256984,3.9664316,2.8962822,3.8020952,1,1,0.68414712,8,0,-0.87047595,-0.36542186,0.075091936,2.2302992,-1.4443928,-0.32640627,0.14864537,2.2901199,-0.51781648,-0.21008958,0.16176035,2.4851072,10.083333,5.6122451,4,8.1382713,4.4325809,3.1056402,3.0061288,3,3,1,0,1.053,-1.43376,4.9252968,1,1,6,1,1,4,0,0,0,1.1573582,-1.1573582,0.12155839,0.29646948,20.207504,53.267513,25.857038,0,0,0,0,43.257484,36.764713,0,0,0,14.264937,2.503756,0.9144991,0.49352148,0.085500926,0.085500926,0.50647849,0,179.35425,96.790894,16.768694,16.768694,99.332062,0,0.5,1,0,0,0,0,1,0,0,0,1,0,196.12296,0,0,0,196.12296,0,4,1,1,0,0,1,0.91720003,61.662781,0,3.9819686,20.926258,0,0,0,88.215919,0,38.569443,4.87221,0,10.999887,17.888229,9.2253971,32.774666,88.215919,20.926258,33.326015,47.279999,0.65002245,4.5849624,2.786916,6.8152671,196.12296,242.96529,2.503756,0,0,0,145.66747,0,33.40575,166.224,226,12,52,0.13792187,0.040646482,0,0,0,0,0.29288780724188,1
50,O=C(NNCCC(=O)NCc1ccccc1)c1ccncc1,0.37,0.63,Positive,Positive,1,LT01594,4472,nialamide,,Most-DILI-Concern,8,Withdrawn,,vMost-DILI-Concern,O=C(NNCCC(=O)NCc1ccccc1)c1ccncc1,,1,46.166275,0,0,1,2,4,0,12,0,40,3,7,22,14,63.818474,1.5954618,0,0,16,0,0,18,0,4,2,0,0,1.4664145,-2.5191798,-0.62186986,0.69756138,2.4961195,-2.7506878,-0.53807992,0.75328451,2.4419222,-2.2491667,-0.49986199,0.85431087,2.7536864,23.573727,7,0.30434781,12,41,2,23,5,9,0.39130434,27,0,15.62311,12.081182,9.3174725,10.794683,10.75402,6.9935603,4.6118073,6.2828231,0,0,0.73245895,15,0,-0.8653878,-0.3896147,0.096798331,2.3780763,-1.2845846,-0.3792752,0.16445385,2.3926845,-0.50764668,-0.21605732,0.19305076,2.6433895,18.340265,10.714286,7.421875,12.535757,7.1780109,4.9002514,4.0900817,6,3,1,0,0.87300003,-1.79255,8.558054,0,1,12,1,2,7,0,0,0,2.0634811,-2.0634811,0.12895285,0.17055239,87.847878,46.919247,8.6190128,17.238026,12.949531,12.949531,0,26.718348,61.274521,0,0,3.8753545,36.691772,0.13689101,0.78870928,0.40827626,0.12912887,0.2112907,0.59172374,0.082161836,248.61703,128.69688,40.704018,66.603081,186.52322,25.899061,0.46666667,0.875,0,0,0,0,1,0,0,0,1,0,315.22012,0,0,0,315.22012,0,8,1,2,0,0,1,1.2889,53.787209,27.303097,23.862217,18.439579,30.233366,0,0,157.931,18.868406,18.439579,8.2816601,47.724434,16.78553,53.787209,6.37115,0,195.23898,28.957146,0,83.120003,0.4530769,5.523562,3.7081673,8.562397,315.22012,407.32111,32.816418,0,0,15.103616,212.08305,25.899061,57.341072,298.34601,1383,26,102,0.31653678,0.52207333,0,0,0,0,0.5041472986339001,1
51,O=C1N(C)C(=O)N(c2ncn(c12)C)C,0.61000001,0.38999999,Negative,Negative,0,LT01888,2519,caffeine,1999,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O=C1N(C)C(=O)N(c2ncn(c12)C)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=fbcd234e-57e1-4da2-a96c-e3f7b7cf6ec0,2,26.75193,1,1,0,0,3,0,5,0,24,0,3,14,4,42.81982,1.7841592,0,0,8,0,0,10,0,4,2,0,0,2.247865,-2.4536171,-0.27941167,0.10598757,2.4786618,-2.6267395,-0.17823356,0.24075854,2.3914192,-2.1531734,0.010782566,0.29583871,2.7730138,20.10807,0,0,5,25,2,15,2,0,0,18,0,10.455666,8.1827011,5.5773501,6.0165076,6.536581,4.1079278,0.5,0.66666669,0,0,0.80527008,6,0,-0.84105462,-0.43118259,-0.11418443,2.345499,-1.0014238,-0.29680276,-0.037,2.3107893,-0.48707736,-0.12930878,0.0074123628,2.616025,10.515555,3.5387523,1.4545455,7.0346155,2.2854667,0.91422778,1.1483842,6,0,1,0,-0.60399997,-0.68832999,4.8692617,0,1,10,1,2,0,0,0,0,1.5985926,-1.5985926,0.20835082,0.2050059,108.10454,21.236927,4.2653861,17.890114,0,12.949531,17.440542,0,0,0,0,19.249496,13.566921,0,0.70561028,0.15284531,0.15284531,0.29438972,0.84715468,0.1415444,151.49696,32.816418,32.816418,63.20649,181.88704,30.390074,0.33333334,0.5,0,0,0,0,1,0,0,0,1,0,214.70346,0,0,0,214.70346,0,4,0,2,0,0,1,0.42109999,3.1243138,31.897676,0,0,26.618963,65.794373,0,16.78553,0,59.087322,4.9381499,47.724434,21.808937,3.1243138,2.7567475,2.3279202,16.78553,10.088739,98.691559,58.439999,0.61744827,4.9068904,2.2940331,7.362936,214.70346,241.15387,32.816418,0,0,0,108.39793,66.371155,32.816418,194.194,258,25,76,0.031954516,0.02260627,0,0,0,0,0.3304437957708001,0
52,OC(=O)C(N)CCCC,0.69999999,0.30000001,Negative,Negative,0,LT01071,564,aminocaproic acid,1964,No-DILI-Concern,0,No match,,vNo-DILI-Concern,OC(=O)CCCCCN,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=2238c70f-b0b5-4755-896b-45b28777b217,2,21.932308,1,0,0,1,0,2,0,1,22,0,0,9,5,32.492004,1.4769093,0,0,6,0,0,13,0,1,2,0,0,3.1746612,-2.6438084,-0.54390836,0.34544781,2.6327503,-3.3067915,-0.4000653,0.2142,2.6935415,-2.4251521,1.3188515e-017,0.1057,2.8501432,14.807691,4,0.5,0,21,1,8,7,4,0.5,20,0,7.276021,5.7222738,4.1986704,4.276021,4.1807394,3.2205267,2.4040303,2.4486885,1,1,0.71161062,6,0,-0.85132462,-0.34935218,0.17606503,2.2772095,-2.2349901,-0.30891356,0.054200001,2.2749238,-0.64079589,-0.16,-0.054299999,2.4629107,9,4.8395061,4.5,8.0597343,4.2673211,3.9089532,3.821497,3,3,1,0,0.95999998,-1.07322,3.5699794,0,1,0,1,0,4,0,0,0,1.6101607,-1.6101607,0.21454243,0.33779755,47.089787,14.708499,7.4113464,0,0,0,25.857038,8.701313,27.44899,0,0,0,0,28.239277,0.66074508,0.40380719,0.17709732,0.33925489,0.59619284,0.16215758,105.35994,64.38958,28.239277,54.096313,95.066673,25.857038,0.5,1,0,0,0,0,1,0,0,0,1,0,159.45625,0,0,0,159.45625,0,3,0,0,0,0,1,-1.4630001,75.580528,1.4640081,27.844185,0,0,0,0,0,56.605217,33.326015,3.12081,66.545563,0,32.897186,3.9819686,0,56.605217,1.4640081,33.326015,67.769997,0.71696228,4,2.4438426,5.9714723,159.45625,184.33536,27.133842,27.133842,17.742489,17.742489,83.533485,14.708499,44.876331,131.175,102,8,34,0.22634687,0.0038081326,0,0,0,0,0.3195244446392,0
53,O1[C@H]([C@@H](O)CO)C(O)=C(O)C1=O,0.75999999,0.23999999,Negative,Negative,0,LT02009,54678501,vitamin c,,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O1C([C@@H](O)CO)C(O)=C(O)C1=O,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=a6c36a36-28ee-4a1b-86fe-98ef94064b68,2,20.039551,1,0,0,1,3,2,0,0,19,3,6,12,4,30.039589,1.581031,0,0,6,0,0,7,0,0,6,0,0,2.5964684,-2.5234294,-0.8007018,0.67083085,2.5874522,-2.6767454,-0.77563828,0.59813511,2.4446621,-2.2970698,-0.54130995,0.90397984,2.807987,11.484449,2,0.16666667,0,19,2,12,5,2,0.16666667,17,0,9.3009653,5.9281931,3.3618073,3.5938582,5.5745859,3.1763649,1.5302567,1.7415817,2,2,0.96106744,6,-1,-1.0438452,-0.49429238,0.12137964,2.1665645,-0.93980205,-0.4973633,7.4258031e-005,2.0857551,-0.52163917,-0.26989114,0.27977929,2.4013457,10.083333,3.8062284,1.8595041,8.6589355,3.2191904,1.5539644,2.322897,6,3,1,0,-1.132,0.14309999,3.4860694,0,1,5,1,1,2,0,0,0,1.6166044,-2.6166043,0.19549213,0.31664622,0,32.012836,18.268377,0,30.972517,0,14.708499,0,8.458519,0,0,0,13.566921,39.373299,0.3732802,0.39017767,0.33642533,0.62671983,0.60982233,0.29029447,58.739735,61.398739,52.94022,98.621239,95.962234,45.681019,0.5,1,0,0,0,0,1,0,0,0,1,0,157.36096,0,0,0,157.36096,0,3,0,1,0,0,1,-1.5349,50.770454,7.7454643,90.482742,46.311485,0,5.2434282,0,0,0,0,3.3313899,77.545448,50.770454,25.385227,18.180727,0,0,28.671722,0,110.05,0.65002245,4.5849624,2.3822954,6.878418,157.36096,182.20988,27.133842,27.133842,0,0,47.434032,25.670774,67.834602,175.116,188,17,58,0.15078478,0.0087515181,0,0,0,0,0.1674860920757,0
54,O1[C@@H]2[C@]34[C@H]([C@H](N(CC3)C)Cc3c4c1c(O)cc3)C=C[C@@H]2O,0.56,0.44,Negative,Negative,0,LT00905,5288826,morphine,1984,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O1[C@@H]2[C@]34[C@H]([C@H](N(CC3)C)Cc3c4c1c(O)cc3)C=C[C@@H]2O,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=405b7997-1e47-4904-96d0-72c241ed8195,2,46.76186,1,1,0,0,3,0,6,1,41,2,5,21,17,58.979313,1.4385198,0,0,17,0,0,20,0,1,3,0,0,1.6570927,-2.8777504,-0.54761606,0.70196348,2.925869,-3.5111639,-0.59377104,0.68010348,2.8265595,-2.6657078,-0.45092994,0.80698466,3.1443818,25.10014,0,0,6,45,1,25,3,0,0,38,0,14.353006,12.042798,10.240123,11.068549,10.125864,7.8339162,5.7700558,6.8357353,5,5,0.74261546,8,1,-0.88284451,-0.38009062,0.11747791,3.1320791,-2.2598312,-0.35664758,0.13711339,3.0952969,-0.63060272,-0.23345475,0.16777889,3.3477533,13.44,4.2950625,1.4876033,11.480405,3.6381724,1.2519938,1.9889377,4,3,1,0,0.93699998,-1.62288,7.7524967,0,1,22,1,5,0,1,0,0,2.6678782,-1.6678782,0.13060199,0.23092084,38.729557,87.615646,29.872856,0,20.648346,0,8.6190128,16.671984,36.764713,0,0,0,0,18.038837,0.81590122,0.27815717,0.070200689,0.18409877,0.72184283,0.11389808,209.65475,71.475533,18.038837,47.306194,185.48541,29.267359,0.5,1,0,0,0,0,1,0,0,0,1,0,256.96094,0,0,0,256.96094,0,4,0,5,0,0,0.047619049,-0.21902999,64.894653,0,16.919268,18.439579,10.781946,51.765594,0,70.572739,18.868406,10.486856,7.6700301,3.1243138,61.77034,4.4107962,33.777275,0,108.30955,18.439579,32.897186,54.130001,0.51002371,5.643856,2.6104989,8.557476,256.96094,385.59796,2.503756,0,0,0,196.20918,0,29.637598,286.35098,712,49,132,0.20362744,0.067339413,0,0,0,0,0.05286504514509999,0
55,O=C(Nc1ccccc1)CCCCCCC(=O)NO,0.47,0.52999997,Positive,Negative,0,LT00462,5311,vorinostat,2006,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O=C(Nc1ccccc1)CCCCCCC(=O)NO,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=cd86ee78-2781-468b-930c-3c4677bcc092,2,41.915066,1,0,0,2,1,2,6,0,38,2,3,19,12,58.652767,1.5434939,0,0,14,0,0,19,0,2,3,0,0,1.908321,-2.6562667,-0.62023979,0.53649223,2.6234717,-2.5526097,-0.53558517,0.58411783,2.7594886,-2.4107859,-0.37832966,0.70706463,2.8703537,23.644934,8,0.42105263,6,38,2,19,7,10,0.52631581,30,0,13.924439,10.854136,8.6293917,9.5102253,9.2195454,6.4801626,5.1177902,6.1329932,0,0,0.72692347,14,-1,-1.0996073,-0.45229629,0.061616488,2.4523427,-1.1407356,-0.28443024,0.10850734,2.5534554,-0.53060973,-0.22518222,0.198245,2.7007008,17.052631,10.747934,8.7107754,12.686603,7.8533645,6.2755985,5.2438164,5,2,1,0,2.3150001,-3.42103,7.4366155,0,1,6,1,1,8,0,0,0,1.5164967,-2.5164967,0.14852114,0.30222693,75.286812,21.326929,8.6190128,8.6190128,25.899061,0,0,41.912434,54.167339,0,0,0,27.133842,22.441992,0.73555291,0.51034451,0.17370258,0.26444706,0.48965549,0.090744495,209.93153,145.65561,49.575832,75.474892,139.75082,25.899061,0.5,1,0,0,0,0,1,0,0,0,1,0,285.40643,0,0,0,285.40643,0,7,0,1,0,0,1,2.5797,14.472698,28.528318,47.724434,42.805668,0,0,0,88.215919,113.21043,2.7567475,7.42834,47.724434,0,57.278366,0,20.767498,201.42636,10.517568,0,81.260002,0.48546076,5.2479277,3.6087625,8.1285629,285.40643,362.23483,44.099365,30.532444,0,16.567839,180.59299,25.899061,60.667202,263.31699,954,20,82,0.075793199,0.096632905,0,0,0,0,0.3789630383251001,0
56,P(O)(O)(=O)C(P(O)(O)=O)(O)C,0.69,0.31,Negative,Negative,0,LT01355,3305,etidronic acid,1977,No-DILI-Concern,0,No match,,vNo-DILI-Concern,P(O)(O)(=O)C(P(O)(O)=O)(O)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=60a2009d-cb3e-429b-95cd-dea7ed5c90fb,1,19.061172,1,0,0,1,1,6,0,0,15,1,2,11,2,26.951874,1.7967917,0,0,2,0,0,4,0,0,7,2,0,4.7484088,-2.6844246,-0.69429183,0.036826309,2.5610809,-2.6565399,-1.189,0.123,2.7162144,-2.2663922,-5.2180955e-017,0.12052122,2.9329357,25.080828,2,0.2,0,14,0,10,4,2,0.2,14,0,9.5,7.0799851,1.5,1.5,4.5,5.351583,0.5,0.5,0,0,1.264137,4,-4,-1.0298938,-0.85429186,-0.12317369,1.9432015,-1.349,-1.1644863,-0.037,2.1078637,-0.49903095,-0.16,-0.054299999,2.3323646,11,2.5,1.9753087,14.862359,3.4829545,2.8266792,4.7059021,7,1,1,0,-3.2520001,1.22583,3.4690692,0,1,0,1,0,2,1,0,0,0.60794079,-4.6079407,0.36315271,0.15067291,12.796158,18.747677,0,0,10.324173,0,0,0,27.333998,0,0,0,0,102.14236,0.3436228,0.75564992,0.59612328,0.6563772,0.24435008,0.060253937,58.877834,129.47635,102.14236,112.46653,41.868008,10.324173,0.5,1,0,0,0,0,1,0,0,0,1,0,171.34436,0,0,0,171.34436,0,2,1,0,0,0,1,-5.6606002,159.98782,0,0,0,0,0,0,0,0,60.888332,2.4463799,134.60258,25.385227,0,0,0,0,0,60.888332,122.65,0.64681429,4.321928,1.9292524,6.664022,171.34436,159.78885,94.374817,94.374817,0,0,29.408449,27.333998,107.94174,201.995,136,18,56,0.29176503,0.001122773,0,0,0,0,0.3549363836647,0
57,N([C@@H](Cc1ccccc1)C)(CC#C)C,0.68000001,0.31999999,Negative,Negative,0,LT01749,26757,selegiline,1989,No-DILI-Concern,0,No match,,vNo-DILI-Concern,N([C@@H](Cc1ccccc1)C)(CC#C)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=59c9bf80-b46e-e302-4eb7-4f751ecd1fee,2,35.982273,1,0,0,1,0,0,6,1,32,0,0,14,13,36.835632,1.1511135,0,0,13,0,0,18,0,1,0,0,0,2.2126582,-2.7022254,-0.4802182,0.63953328,2.6819499,-3.4839182,-0.49701491,0.62055629,2.5032001,-2.5022886,-0.40007246,0.68648636,2.8781569,20.997726,4,0.2857143,6,32,0,14,5,5,0.35714287,25,1,10.388906,8.9556656,8.4556656,9.8115549,6.736382,5.0342927,3.8920641,5.4174504,1,1,0.60767823,9,1,-0.8712216,-0.32426089,0.072436966,2.5490084,-2.259681,-0.24974465,0.13613726,2.4881499,-0.6294843,-0.20405538,0.14312498,2.7517288,12.071428,6.4775085,4.3878117,9.0482664,4.7367992,3.1482496,3.0614157,1,1,1,0,2.8110001,-2.5392699,6.1580381,0,1,7,1,1,5,0,0,0,1.8412764,-0.84127647,0.18964063,0.38871306,30.028244,64.773125,25.988483,0,0,0,8.6190128,36.764713,61.274521,25.854858,0,0,0,0,0.9659735,0.48911428,0,0.0340265,0.51088572,0.0340265,244.68394,123.89409,0,8.6190128,129.40886,8.6190128,0.44444445,0.80000001,0,0,0,0,1,0,0,0,1,0,253.30295,0,0,0,253.30295,0,5,0,1,0,0,0,0.76547801,3.1243138,0,3.9819686,35.47015,34.673759,51.765594,0,88.215919,0,33.326015,6.0194702,3.1243138,0,0,24.198118,0,107.08433,49.927761,66.223206,4.4400001,0.59167278,4.8073549,2.9175849,7.2855659,253.30295,309.85803,0,0,0,0,232.58342,0,0,188.29399,337,16,62,0.33003163,0.074115664,0.1,0,0,0,0.27423707209542,0
58,Oc1cc(ccc1)[C@@H]([C@H](CN(C)C)C)CC,0.68000001,0.31999999,Negative,Negative,0,LT00664,6433091,tapentadol,2008,No-DILI-Concern,0,No match,,vNo-DILI-Concern,Oc1cc(ccc1)C(C(CN(C)C)C)CC,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=07c33315-90c9-4a73-bf1d-bca70c7e0ff5,2,42.545033,1,0,0,1,1,0,6,1,40,1,2,16,14,49.535053,1.2383764,0,0,14,0,0,24,0,1,1,0,0,2.5201724,-2.7518961,-0.47986007,0.5842033,2.7217233,-3.4747853,-0.43877637,0.53742021,2.7540197,-2.5324392,-0.40279731,0.66766542,2.9460733,27.556969,5,0.3125,6,40,0,16,8,5,0.3125,34,0,12.129392,10.825529,9.878315,10.552042,7.5409126,6.1214895,4.5443292,5.4006133,2,2,0.62702745,8,1,-0.88823843,-0.32366538,0.052293699,2.7389643,-2.2596447,-0.24039896,0.12988777,2.7747247,-0.63100314,-0.19854504,0.13349305,2.9503434,14.0625,6.6666665,4.4236112,12.021921,5.6353893,3.7077601,4.2342629,2,2,1,0,3.3840001,-2.3654399,6.9090562,0,1,6,1,1,5,0,0,0,2.0988417,-1.0988417,0.16579351,0.32745734,42.653858,119.31285,0,0,10.324173,0,8.6190128,35.419662,62.005161,0,0,0,0,7.7675405,0.90663922,0.36767399,0.027149525,0.093360767,0.63232601,0.066211239,259.39154,105.19237,7.7675405,26.710726,180.9099,18.943186,0.5,1,0,0,0,0,1,0,0,0,1,0,286.10226,0,0,0,286.10226,0,4,0,1,0,0,0,1.6664,28.509541,0,0,18.439579,7.5963712,65.794373,4.4107962,70.572739,18.868406,71.895454,6.7980499,3.1243138,25.385227,4.4107962,12.839799,0,89.441139,18.439579,132.44641,24.67,0.54356444,5,2.8484273,7.7130194,286.10226,354.61285,0,0,0,0,241.04195,0,13.566921,222.35199,448,21,74,0.29012093,0.040322866,0,0,0,0,0.0825325325132,0
59,N(Cc1ccccc1)(C(Cc1ccccc1)C)C,0.46000001,0.54000002,Positive,Negative,0,LT00832,2341,benzphetamine,1960,No-DILI-Concern,0,No match,,vNo-DILI-Concern,N(Cc1ccccc1)(C(Cc1ccccc1)C)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=3fd6b3a8-b17b-4b98-ad03-a8af7b6f3368,1,45.689445,1,0,0,1,0,0,12,1,40,0,0,18,17,45.282761,1.132069,0,0,17,0,0,22,0,1,0,0,0,1.6826938,-2.7163141,-0.52042061,0.66872734,2.6874344,-3.4502697,-0.53807992,0.67993969,2.5238302,-2.5110145,-0.41019216,0.71996361,2.8889678,25.370554,5,0.2631579,12,41,0,19,5,5,0.2631579,29,0,12.794683,11.265066,10.765066,12.217332,8.7540197,6.656301,5.5140724,7.4350882,1,1,0.61986661,11,1,-0.87873274,-0.34006837,0.079287015,2.6809151,-2.2515342,-0.26386139,0.13909496,2.662576,-0.63041866,-0.21605732,0.15797506,2.8927999,14.409972,7.5555553,4.8979592,10.856484,5.589323,3.5745189,3.3711331,1,1,1,0,4.2930002,-3.38852,7.8648744,0,1,12,1,2,5,0,0,0,1.9789606,-0.97896069,0.17619196,0.34045926,32.236782,94.630829,13.192325,0,0,0,8.6190128,20.956217,122.54904,0,0,0,0,0,0.97050142,0.49114653,0,0.029498558,0.5088535,0.029498558,283.56519,143.50525,0,8.6190128,148.67894,8.6190128,0.45454547,0.83333331,0,0,0,0,1,0,0,0,1,0,292.1842,0,0,0,292.1842,0,6,0,2,0,0,0,2.59887,3.1243138,0,3.9819686,0,6.37115,51.765594,0,176.43184,0,51.765594,7.6845698,3.1243138,0,0,10.353119,0,213.73982,0,66.223206,4.4400001,0.52150291,5.2479277,3.2255883,8.0140867,292.1842,387.77698,0,0,0,0,268.61749,0,0,240.37,683,22,86,0.23089541,0.08862903,0,0,0,0,0.295616939664,0
60,N1=NN=NN=CC=C1,0.31,0.69,Positive,Negative,0,LT01650,441278,pentazocine,1967,No-DILI-Concern,0,No match,,vNo-DILI-Concern,Oc1cc2c(C[C@H]3N(CC[C@]2(C)[C@H]3C)CC=C(C)C)cc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=1d225639-c326-4d9e-bc8d-e380e7958b8f,2,12.780379,0,0,1,1,5,0,0,0,11,0,5,8,2,16.934332,1.5394847,0,0,3,0,0,3,0,5,0,0,0,2.0645161,-1.9912201,-0.65251321,0.67526084,2.0051022,-1.9540901,-0.52498448,0.79898387,2.0839064,-1.6834477,-0.45846996,0.87981015,2.3231585,4.5996208,0,0,0,11,4,8,1,0,0,7,0,5.6568542,3.9681187,1.7320508,2.1213202,4,1.9830644,0.66666669,1,0,0,0.88548303,4,0,-0.71431476,-0.41847545,0.07244999,1.6494658,-0.76568329,-0.28050217,0.16031617,1.7644804,-0.40129554,-0.19616023,0.22365463,1.9482139,6.125,3.9375,2.8125,3.504384,2.0391841,1.331134,0.89326048,5,0,1,0,-3.329,-0.44194999,2.6366923,0,1,8,1,1,0,0,0,0,0.34095562,-0.34095562,0.24896164,0.39982295,0,46.287991,0,0,0,0,0,51.733414,0,18.842079,0,0,0,0,1,0.60391402,0,0,0.39608601,0,116.86348,70.575493,0,0,46.287991,0,0,0,0,0,0,0,1,0,0,0,1,0,116.86348,0,0,0,116.86348,0,4,0,1,0,0,0.375,1.3189,0,0,17.214357,0,0,82.947472,0,34.85754,0,0,2.7344,0,82.947472,0,0,0,34.85754,0,17.214357,61.799999,0.8112781,4,1.9502121,5.6556392,116.86348,123.20055,58.320587,0,0,0,36.108002,20.299505,58.320587,109.092,64,8,32,0.18051577,0.0078457193,0,0,1,0,0.09701573848719999,0
61,S(O)(=O)(=O)c1ccccc1C=C,0.17,0.82999998,Positive,Negative,0,LT00801,169893,Sodium polystyrene sulfonate,1958,No-DILI-Concern,0,No match,,vNo-DILI-Concern,[Ca+2].S(=O)(=O)([O-])c1ccccc1C=C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=2017bfbe-cda8-46f1-b4f1-9c086c3249a9,2,24.053551,1,1,0,0,0,3,6,0,19,0,0,12,8,32.304253,1.7002237,0,0,8,0,0,7,0,0,3,0,1,2.6220191,-2.347173,-0.52189964,0.59547627,2.2741141,-2.2474828,-0.42790908,0.68847096,2.3767226,-1.9207021,-0.40072489,0.72433466,2.6591206,15.086449,2,0.16666667,6,19,1,12,2,2,0.16666667,12,0,9.1902342,7.0433478,4.5938582,5.6902347,5.5538602,4.6366463,2.5242736,3.7651849,0,0,0.85454184,5,-1,-0.91859931,-0.54946893,0.063436806,2.1111984,-0.79665726,-0.45854861,0.14063153,2.2288952,-0.40284616,-0.18421468,0.16021346,2.4294844,10.083333,3.8062284,2.4930749,8.7073393,3.2390385,2.0972269,2.3502841,3,0,1,0,1.585,-2.28971,4.6476774,0,1,7,1,1,2,0,0,0,0.8170529,-1.817053,0.3303968,0.25346515,12.254904,32.066242,0,0,0,4.1846013,0,12.254904,59.065979,11.512783,0,0,0,48.024784,0.7089197,0.72956842,0.26775011,0.2910803,0.27043161,0.023330193,127.15482,130.85846,48.024784,52.209385,48.505749,4.1846013,0.40000001,0.66666669,0,0,0,0,1,0,0,0,1,0,179.3642,0,0,0,179.3642,0,3,0,1,0,0,0,1.2337,0,72.25753,8.0966997,0,3.185575,1.5507339,0,70.572739,17.643185,32.100792,4.4496198,72.25753,0,1.5507339,3.185575,0,70.572739,17.643185,40.197495,51.209999,0.65002245,4.5849624,2.264684,6.891675,179.3642,214.39207,48.024784,48.024784,0,0,114.84406,11.512783,48.024784,183.207,185,16,58,0.1517646,0.015721491,0,0,0,0,0.0731543339789,0
62,O1[C@](O)(CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1CO,0.81999999,0.18000001,Negative,Negative,0,LT00886,11333,lactulose,1976,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O1[C@](O)(CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1CO,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=3a5249b6-ede1-473d-a618-49b075af78b3,1,44.611446,0,0,3,5,11,0,0,0,45,8,19,23,10,67.952599,1.5100577,0,0,12,0,0,22,0,0,11,0,0,2.1281884,-2.7198708,-0.73094106,0.76239896,2.8414106,-2.9163244,-0.87051237,0.56780046,2.6297264,-2.5228655,-0.60068762,0.8566255,3.017622,29.798553,5,0.20833333,0,46,0,24,5,5,0.20833333,46,0,17.361443,12.042576,7.2401223,7.2401223,10.784242,7.0464463,3.4587252,3.4587252,9,9,0.90216821,10,0,-0.79224396,-0.45007586,0.19638833,2.8371322,-0.96481091,-0.5961985,-0.0041097212,2.6826046,-0.53150219,-0.28698662,0.24468052,3.0143485,19.326389,7.4861112,3.52,19.326389,7.4861112,3.52,6.2904129,11,8,0,2,-4.3660002,1.3674901,6.9097209,0,1,11,0,2,8,3,0,0,4.0928707,-4.0928707,0.053868003,0.095865764,0,89.617989,49.285793,11.154908,83.701927,0,0,0,0,0,0,0,0,69.651588,0.49457037,0.22956094,0.22956094,0.50542963,0.77043909,0.27586868,150.0587,69.651588,69.651588,153.35352,233.76062,83.701927,0.5,1,0,0,0,0,1,0,0,0,1,0,303.4122,0,0,0,303.4122,0,5,1,2,0,0,1,-5.3955998,203.08182,0,86.806709,62.778774,0,0,0,0,0,0,6.86414,32.999664,203.08182,0,53.807049,0,0,62.778774,0,189.53,0.43892586,5.5849624,3.1251063,8.7810802,303.4122,379.41592,7.5112681,0,0,0,125.38506,15.817043,116.04664,342.297,1132,42,120,0.030973082,0.021891963,0,0,0,0,0.38967201765639,0
63,O[C@H]1C[C@H](O)C\C(=C\C=C/2\[C@@H]3CC[C@H]([C@@H](CCCC(O)(C)C)C)[C@]3(CCC\2)C)\C1=C,0.70999998,0.28999999,Negative,Negative,0,LT00899,134070,calcitriol,1978,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O[C@H]1C[C@H](O)CC(=CC=C2[C@@H]3CC[C@H]([C@@H](CCCC(O)(C)C)C)[C@]3(CCC2)C)C1=C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=167a669f-7b7e-46ea-9331-567bf19d8787,2,79.264893,0,0,2,3,3,0,0,0,74,3,6,30,27,86.147705,1.1641582,0,0,27,0,0,44,0,0,3,0,0,1.5604447,-2.8432302,-0.43226346,0.51695698,2.8979089,-2.7432623,-0.39903066,0.46579477,3.0054893,-2.585252,-0.32691637,0.62992656,3.1595385,48.101109,6,0.1875,0,76,3,32,8,6,0.1875,73,0,22.104084,19.661266,18.319626,19.104084,14.009674,12.183329,11.443324,12.354974,6,6,0.65135831,15,0,-0.80938274,-0.32133833,0.003613305,3.2290392,-0.87889057,-0.28832152,-0.0090639303,3.3386133,-0.5412395,-0.18573529,0.12476907,3.4612339,24.638672,9.8680553,5.8800001,22.724497,9.0750866,5.3964286,6.8742256,3,3,1,1,5.3969998,-7.9012499,12.254183,0,1,19,1,3,9,1,0,0,2.1593516,-2.1593516,0.097358868,0.18124294,157.98982,35.402172,0,0,30.972517,0,0,102.82162,103.91759,0,0,0,0,23.30262,0.88055813,0.50624698,0.05128146,0.11944185,0.49375302,0.0681604,400.13123,230.04184,23.30262,54.275139,224.36452,30.972517,0.46666667,0.875,0,0,0,0,1,0,0,0,1,0,454.40637,0,0,0,454.40637,0,8,0,3,0,0,0,5.7047,76.155678,0,12.937299,0,13.232388,9.5567245,0,35.286369,188.68405,165.40485,12.40384,0,76.155678,13.232388,22.494022,0,223.97043,0,165.40485,60.689999,0.37005648,6,3.71997,9.5034618,454.40637,639.65717,0,0,0,0,366.91245,0,40.700764,416.646,2677,49,160,0.23068261,0.37240395,0.89999998,3,1,0,0.1618057675664,0
64,O(CC(O)CN1CCN(CC1)CC(=O)Nc1c(cccc1C)C)c1ccccc1OC,0.63,0.37,Negative,Negative,0,LT01192,56959,ranolazine,2006,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O(CC(O)CN1CCN(CC1)CC(=O)Nc1c(cccc1C)C)c1ccccc1OC,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=beb482de-f251-476b-9d38-40577c36f5a3,2,72.085754,0,0,2,3,4,0,12,2,66,2,6,31,23,96.611122,1.4638048,0,0,24,0,0,35,0,3,4,0,0,1.3074281,-2.8153224,-0.49535409,0.61514419,2.8427913,-3.6481578,-0.5379293,0.52755672,2.4756129,-2.6444843,-0.40379614,0.68862945,3.0008905,46.352245,9,0.27272728,12,68,1,33,5,10,0.30303031,55,0,22.216969,18.740509,15.568549,16.940947,14.956729,10.930232,6.7414174,8.5124388,1,1,0.69962972,18,2,-0.87812382,-0.33805969,0.072884828,2.9422092,-2.2817078,-0.3559078,0.14294693,2.7662847,-0.64152449,-0.21628857,0.1453791,3.1073761,25.619835,13.032024,8.0658436,20.811604,10.5087,6.4691744,7.0549326,7,4,1,0,1.76974,-3.49631,12.238128,0,1,18,1,3,11,1,0,0,4.783443,-2.783443,0.072978094,0.13790762,57.289524,113.05517,96.314362,21.811338,10.324173,12.949531,17.238026,66.422241,61.274521,0,0,0,13.566921,12.911943,0.86134839,0.31909996,0.054803766,0.13865159,0.68090004,0.083847828,416.16714,154.17563,26.478865,66.990593,328.98212,40.51173,0.5,1,0,0,0,0,1,0,0,0,1,0,483.15775,0,0,0,483.15775,0,9,0,3,0,0,1,-0.52616,53.633629,23.269535,30.330866,131.56372,6.37115,35.383869,0,123.50229,0,79.89563,12.01689,30.110844,47.385002,0,23.326654,20.767498,123.50229,136.82251,102.0359,76.669998,0.36097246,6.044394,4.0079403,9.5636654,483.15775,613.98334,18.574432,0,0,5.6825762,385.48248,12.949531,37.823929,429.561,3410,45,154,0.090248249,0.87410957,0.2,2,1,0,0.226470485853007,0
65,Oc1cc(ccc1)[C@@]1(CCN(C[C@@H]1C)C[C@H](Cc1ccccc1)C(=O)NCC(O)=O)C,0.51999998,0.47999999,Negative,Negative,0,LT01215,5488548,alvimopan,2008,No-DILI-Concern,0,No match,,vNo-DILI-Concern,Oc1cc(ccc1)[C@@]1(CCN(C[C@@H]1C)C[C@H](Cc1ccccc1)C(=O)NCC(O)=O)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=77a67dc6-35d3-48ff-9d18-292d4d442f70,2,70.745377,0,0,1,2,2,2,12,1,63,2,4,31,23,90.472229,1.4360671,0,0,25,0,0,32,0,2,4,0,0,1.5830945,-2.8612535,-0.56186438,0.65896845,2.8503573,-3.5091448,-0.50361413,0.61876339,2.7721872,-2.6455209,-0.45654947,0.73984033,3.0660517,39.836624,8,0.24242425,12,65,2,33,5,9,0.27272728,51,0,22.43251,18.265451,15.593493,17.148054,14.774713,10.922349,8.4221563,10.332318,3,3,0.70684856,14,0,-0.88310134,-0.3959108,0.074210532,3.0972099,-2.2600083,-0.36707756,0.14126919,3.0561428,-0.63056439,-0.21283183,0.16426842,3.304477,25.619835,11.92344,7.2391505,20.156639,9.3012114,5.6119161,6.0477796,6,3,1,0,3.4489999,-4.0900998,12.157954,0,1,18,1,3,10,0,0,0,3.1012912,-3.1012912,0.11235014,0.17669725,59.885944,148.44788,0,8.6190128,23.273705,0,8.6190128,37.628201,123.27969,0,0,0,13.566921,35.038273,0.82437789,0.45709422,0.10604184,0.17562211,0.54290581,0.069580272,377.86072,209.51308,48.605194,80.49791,248.84555,31.892717,0.5,1,0,0,0,0,1,0,0,0,1,0,458.35864,0,0,0,458.35864,0,7,0,3,0,0,1,0.29956999,89.203636,6.7227917,47.724434,73.758316,15.192742,18.868406,0,158.78867,18.868406,71.895454,11.64562,93.532089,25.385227,26.832342,11.614578,0,196.52547,80.481102,66.652031,93.900002,0.36097246,6.044394,3.6723928,9.6267767,458.35864,600.61096,40.700764,27.133842,0,5.6825762,331.20105,27.65803,59.95026,424.54099,2864,48,158,0.077065408,0.55588341,0.30000001,3,1,0,0.4238953478629,0
66,FC(F)(CCCC)[C@@]1(O[C@H]2[C@H](CC1)[C@H](CCCCCCC(O)=O)C(=O)C2)O,0.66000003,0.34,Negative,Negative,0,LT01240,656719,lubiprostone,2006,No-DILI-Concern,0,No match,,vNo-DILI-Concern,FC(F)(CCCC)[C@@]1(O[C@H]2[C@H](CC1)[C@H](CCCCCCC(O)=O)C(=O)C2)O,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=d474ac6a-444d-4aa6-9986-24be6fcf811d,2,60.994583,0,0,1,2,3,2,0,0,58,1,4,27,19,86.134613,1.4850795,0,0,20,0,2,31,0,0,5,0,0,1.8255757,-2.7712607,-0.54982072,0.38097072,2.8858914,-2.7970581,-0.44650772,0.42019999,2.8804173,-2.5597289,-0.29070124,0.52195519,3.1004863,41.085419,11,0.39285713,0,59,2,28,8,11,0.39285713,57,0,20.07914,16.053469,13.217332,13.372033,12.699307,10.205177,8.5514069,8.7054548,4,4,0.76870513,17,-1,-0.85158914,-0.43667781,-0.024147969,3.0035539,-1.4897389,-0.3074142,0.10184177,3.0402811,-0.53595978,-0.20580219,0.1079116,3.2034893,23.280613,10.15625,5.9903998,21.428076,9.3170633,5.4819012,7.3943233,5,1,1,0,5.2719202,-4.6840701,9.805769,0,1,10,1,2,12,1,0,0,1.9742665,-2.9742665,0.15259033,0.18485926,164.50864,9.1703148,8.458519,0,11.432717,0,2.2331963,43.506565,53.552929,0,23.817272,0,13.566921,37.40514,0.82418716,0.46742228,0.13864206,0.17581283,0.53257775,0.037170764,303.01422,171.84883,50.972057,64.63797,195.80338,13.665914,0.47058824,0.8888889,0,0,0,0,1,0,0,0,1,0,367.65222,0,0,0,367.65222,0,9,1,2,0,0,0.11111111,2.9751999,68.068573,8.9756918,65.19297,0,8.8215923,0,0,0,226.42087,63.246243,9.2841797,101.40766,55.305454,10.645665,6.4686494,0,226.42087,7.151619,33.326015,86.660004,0.39086518,5.8073549,3.7723777,9.1712303,367.65222,506.64288,43.204517,27.133842,0,0,258.03644,24.275562,56.771439,389.45898,2140,42,136,0.53577536,0.1476212,0.30000001,1,0,0,0.6355107650160001,0
67,O=C1NC(=O)N=C2N(c3cc(C)c(cc3N=C12)C)CC(O)C(O)C(O)CO,0.54000002,0.46000001,Negative,Negative,0,LT01479,6759,riboflavin,,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O=C1NC(=O)N=C2N(c3cc(C)c(cc3N=C12)C)C[C@@H](O)[C@@H](O)[C@@H](O)CO,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=39082010-47e1-4bb1-a580-0f054bfaf3a0,2,52.467861,0,0,3,5,8,0,6,0,47,5,13,27,13,81.63047,1.7368186,0,0,17,0,0,20,0,4,6,0,0,1.8318633,-2.6422694,-0.62805891,0.63818932,2.6822796,-2.8361907,-0.65420026,0.53626537,2.5363755,-2.419152,-0.43298697,0.80107641,2.9013417,29.060141,5,0.1724138,6,49,4,29,7,5,0.1724138,39,0,19.877951,14.747956,10.300965,11.17928,12.722453,8.2948055,4.6378636,5.6041903,3,3,0.81937075,11,0,-0.82960212,-0.45778766,0.11300486,2.7400076,-1.1704826,-0.46408653,0.026157906,2.7364149,-0.52599502,-0.23169312,0.22149152,3.0150979,21.702734,8.7885342,4.4518433,16.455555,6.5876555,3.3085999,4.0149455,10,5,1,0,-1.212,-3.0825901,9.2935705,0,1,16,1,3,5,1,0,0,3.2978964,-3.2978964,0.10628451,0.1189777,25.592316,79.93119,14.714787,26.509127,41.296692,12.949531,17.440542,66.422241,0,0,5.6825762,19.249496,13.703812,31.070162,0.61724591,0.38393316,0.18057035,0.38275409,0.61606687,0.20218372,218.85225,136.12828,64.023468,135.71024,218.43419,71.686768,0.45454547,0.83333331,0,0,0,0,1,0,0,0,1,0,354.56247,0,0,0,354.56247,0,6,0,3,0,0,1,-1.08076,122.67597,15.173408,43.268166,39.365837,6.37115,33.57106,0,35.286369,0,96.02774,9.6436901,47.724434,135.11197,21.135065,25.777098,5.513495,35.286369,54.539246,66.652031,155.05,0.40063059,5.8579812,3.218976,9.2616816,354.56247,459.33908,38.498993,0,0,5.6825762,175.98361,48.280186,98.449257,376.36899,1698,49,144,0.080096439,0.2988666,0,0,0,2,1.3143351078034,0
68,Brc1[nH]c2c(n1)N(C)C(=O)N(C)C2=O,0.38,0.62,Positive,Negative,0,LT02055,11806,pamabrom,,No-DILI-Concern,0,No match,,vNo-DILI-Concern,Brc1[nH]c2c(n1)N(C)C(=O)N(C)C2=O.OCC(N)(C)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=22122002-c367-480b-b9f5-0504f918cc98,2,26.041552,0,0,1,1,4,0,5,0,21,2,6,14,4,42.935696,2.0445571,0,1,7,0,0,7,0,4,2,0,0,2.2137747,-2.4472587,-0.36798069,0.30329221,2.4698887,-2.6250384,-0.13520478,0.46812737,2.3559873,-2.1470752,-0.064319551,0.64208394,2.7646203,16.798449,0,0,5,22,2,15,2,0,0,15,0,10.455666,9.122098,4.5,4.8867512,6.5197444,4.626297,0.5,0.66666669,0,0,1.061314,6,0,-0.80530912,-0.43465257,-0.013282699,2.2698414,-1.0014122,-0.27642301,0.11778732,2.2357099,-0.48448661,-0.13095731,0.25784978,2.5528464,10.515555,3.5387523,1.546875,8.5437155,2.825202,1.218451,1.724123,6,1,1,0,0.171,-2.48645,5.1352997,0,1,10,1,2,0,0,0,0,1.5918406,-1.5918406,0.20923471,0.20546061,72.069695,0,6.6995511,31.043806,0,12.949531,17.440542,43.624847,0,0,0,19.249496,13.566921,0.13689101,0.70780051,0.35325077,0.15201178,0.29219949,0.6467492,0.14018773,153.4379,76.578156,32.953308,63.343384,140.20312,30.390074,0.33333334,0.5,0,0,0,0,1,0,0,0,1,0,216.78128,0,0,0,216.78128,0,4,1,2,0,0,1,0.81400001,3.1243138,29.998583,16.78553,0,26.618963,67.991821,0,0,0,72.144234,5.21802,47.724434,19.909843,22.107292,2.7567475,2.3279202,0,10.088739,111.74847,69.300003,0.61744827,4.9068904,2.3509555,7.3554702,216.78128,244.09647,27.133842,0,0,0,118.12332,52.814869,38.498993,259.06299,262,24,76,0.10219834,0.052738041,0.2,0,0,0,0.5064809173341001,0
69,O(CC(CCC)(COC(=O)N)C)C(=O)N,0.43000001,0.56999999,Positive,Negative,0,LT01521,4064,meprobamate,1955,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O(CC(CCC)(COC(=O)N)C)C(=O)N,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=a27d7877-38e4-4437-afd3-3d570c0dead1,2,33.250275,1,0,0,2,2,0,0,0,33,2,4,15,7,52.877029,1.6023343,0,0,9,0,0,18,0,2,4,0,0,4.0607486,-2.7267776,-0.21686563,0.1608631,2.717859,-2.7294538,0.10828967,0.24799719,2.7641521,-2.4947867,0.068504892,0.12242105,2.9473989,24.105726,6,0.42857143,0,32,2,14,6,8,0.5714286,30,0,11.897341,9.1161213,6.3284273,6.4831276,6.8936648,4.7389641,2.767767,2.767767,0,0,0.761042,8,0,-0.79503602,-0.3944478,0.0008630965,2.5386035,-1.3710597,-0.12285861,0.054200001,2.5709138,-0.53116488,-0.12321384,-0.054299999,2.7459948,15,7.3024693,7.875,12.235328,5.8626342,6.2404151,4.782083,6,4,1,0,0.73900002,-1.93705,5.5078449,0,1,0,1,0,6,0,0,0,1.984036,-1.984036,0.18049696,0.17428946,42.653858,46.96413,0,34.476051,0,0,38.399021,8.701313,46.196667,0,0,27.133842,5.0075121,13.302238,0.68100619,0.38176695,0.17289804,0.31899378,0.61823308,0.14609574,178.99202,100.34158,45.443592,83.842613,162.49306,38.399021,0.5,1,0,0,0,0,1,0,0,0,1,0,262.83463,0,0,0,262.83463,0,4,0,0,0,0,1,0.98339999,65.794373,14.633273,21.999775,41.852516,0,0,0,0,37.736813,114.37646,5.4085798,69.724205,0,0,0,65.794373,37.736813,56.48579,66.652031,104.64,0.54200274,4.8073549,2.8906834,7.5154071,262.83463,286.7818,27.133842,0,0,35.484978,134.55084,43.406532,62.61882,218.25299,406,16,64,0.26769561,0.0065414663,0,0,0,1,1.0096973367034,0
70,O1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1n1c2ncnc(N)c2nc1,0.37,0.63,Positive,Negative,0,LT01047,60961,adenosine,1989,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1n1c2ncnc(N)c2nc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=ca4520ad-7f42-4632-8065-5b88a0ca7f2f,2,34.976311,0,0,2,3,7,0,9,0,32,4,11,19,5,59.065361,1.8457925,0,0,10,0,0,13,0,5,4,0,0,1.733572,-2.5108883,-0.68671495,0.75709182,2.7699709,-2.7103441,-0.71318597,0.5671671,2.6370289,-2.3198552,-0.47249556,0.85498631,2.9579263,21.40769,2,0.095238097,10,34,0,21,4,2,0.095238097,24,0,13.568549,9.787302,5.6712084,6.1627722,9.130229,5.6863751,1.9082483,2.0749149,4,4,0.86836678,9,0,-0.80407888,-0.42974123,0.17337956,2.578685,-1.3347176,-0.53768247,0.036190193,2.5321853,-0.5261125,-0.24114633,0.24749324,2.8051066,13.959184,5.4131112,2.2755556,10.803572,4.125,1.7131481,2.3455122,9,5,1,0,-2.3189399,-0.96267998,6.2680335,1,1,15,1,3,3,1,0,0,2.7484372,-2.7484372,0.076438606,0.14275981,0,40.54361,100.84755,20.586502,30.972517,0,0,0,0,0,0,17.047728,6.6511192,25.806377,0.66807199,0.2041828,0.2041828,0.33192801,0.7958172,0.12774521,161.97766,49.505226,49.505226,80.477745,192.95018,30.972517,0.44444445,0.80000001,0,0,0,0,1,0,0,0,1,0,242.45541,0,0,0,242.45541,0,5,0,3,0,0,1,-1.8845,109.05286,52.25568,30.405836,20.926258,0,0,0,37.430504,6.0398216,2.3279202,6.2855802,10.999887,128.41136,0,25.44577,6.187367,66.468246,20.926258,0,139.53999,0.51875818,5.3923173,2.9318085,8.2141438,242.45541,307.75589,19.551485,0,0,17.742489,54.133583,84.91169,77.994736,267.245,657,32,104,0.054936446,0.027596086,0,0,0,0,0.4666328752649501,0
71,S1CC(N=C1C(N)C(CC)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@H](CC)C)C(=O)NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCN)[C@H](CC)C)Cc1ccccc1)Cc1[nH]cnc1)CC(O)=O)CC(=O)N,0.79000002,0.20999999,Negative,Negative,0,LT02059,439542,bacitracin,1948,No-DILI-Concern,0,No match,,vNo-DILI-Concern,S1C(CN=C1[C@@H](N)C(CC)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](C(CC)C)C(=O)N[C@H]1CCCCNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCCN)C(CC)C)Cc1ccccc1)Cc1[nH]cnc1)CC(O)=O)CC(=O)N,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=746cdb33-65cb-49db-8642-5bdda7b30de6,1,219.27168,0,0,3,5,15,4,11,2,203,14,29,100,51,334.93677,1.6499348,0,0,66,0,0,103,0,17,16,0,1,1.6319159,-2.7035358,-0.54519206,0.45543513,2.7091599,-3.3076389,-0.48367637,0.38906491,2.6937346,-2.4569154,-0.32437193,0.62940037,2.9593658,137.46832,35,0.33980581,11,206,15,103,7,39,0.37864077,180,0,74.33683,59.149685,42.506977,44.730228,47.386906,35.215019,21.746527,23.581285,15,15,0.76477587,36,0,-0.86297983,-0.38803127,0.079141743,3.3711145,-2.2352622,-0.39591211,0.054200001,3.2816153,-0.64179438,-0.22199959,0.15633883,3.5991619,92.383827,49.210495,33.403419,72.878578,38.723202,26.240044,28.220919,33,20,0,3,-0.53399998,-11.95512,37.389481,0,1,37,0,3,49,5,0,0,12.51996,-12.51996,0.027594026,0.043915451,367.29004,124.1729,54.957912,120.66618,155.39438,0,51.714077,80.520355,228.65857,19.760618,0,5.6825762,168.48563,64.772362,0.69068956,0.39379358,0.16569212,0.30931044,0.60620642,0.1436183,996.02655,567.88013,238.94057,446.04901,874.1955,207.10844,0.5,1,0,0,0,0,1,0,0,0,1,0,1442.0756,0,0,0,1442.0756,0,18,0,4,0,0,1,-5.7806602,382.17651,83.940857,398.64017,54.11272,23.585506,54.522339,0,122.21581,245.28928,298.82767,36.144901,419.43771,33.57106,298.34134,53.725948,32.897186,405.24188,121.26804,298.82767,539.77002,0.14479625,7.6865005,4.8962474,13.02306,1442.0756,1860.3085,222.75331,54.267685,35.484978,115.73581,748.01807,218.2775,349.85428,1422.719,68376,154,484,0.07142204,0.98467165,0.60000002,2,2,0,0.34805924259115,0
72,O=C(N)c1cc2c3C[C@H](NC)CCc3[nH]c2cc1,0.66000003,0.34,Negative,Negative,0,LT01054,77992,frovatriptan,2001,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O=C(N)c1cc2c3C[C@H](NC)CCc3[nH]c2cc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=294d60f3-005b-40d9-a404-cdd77f62b820,2,40.744274,1,1,0,0,1,0,9,1,36,2,3,18,13,53.000793,1.4722443,0,0,14,0,0,18,0,3,1,0,0,1.7018348,-2.7044299,-0.53343189,0.63563901,2.7141633,-3.4028263,-0.51155412,0.64735782,2.6458635,-2.4992199,-0.42795259,0.75161248,2.9299138,20.635727,2,0.1,10,38,1,20,4,2,0.1,27,0,12.698306,10.49367,8.4307213,9.2840929,8.6858721,6.4151201,4.5116372,5.5993195,1,1,0.71246713,9,1,-0.87470889,-0.34597793,0.13794257,2.7178371,-2.2475657,-0.31368858,0.14375679,2.7321842,-0.6365605,-0.21374431,0.18053272,2.9646034,13.005,5.1747918,2.4000001,9.5758581,3.7355006,1.7071445,1.9872568,4,5,1,0,1.552,-2.2430401,7.095048,0,1,15,1,3,2,0,0,0,2.4848497,-1.4848497,0.13951543,0.24639432,60.811123,56.242352,0,25.857038,12.949531,0,17.238026,47.674564,0,0,0,0,13.566921,6.7880106,0.79039109,0.28213072,0.084415615,0.20960891,0.71786928,0.1251933,190.58508,68.029495,20.354931,50.542488,173.09807,30.187557,0.44444445,0.80000001,0,0,0,0,1,0,0,0,1,0,241.12756,0,0,0,241.12756,0,5,0,3,0,0,0.55555558,0.31724,50.90794,5.2587838,20.767498,0,32.990112,70.633995,0,57.646656,18.868406,0,7.0479002,23.862217,18.01075,16.78553,13.109866,37.614288,109.53477,5.2587838,32.897186,75.489998,0.53921634,5.321928,2.9240994,8.0466852,241.12756,342.91827,13.566921,0,5.6825762,29.107641,155.4747,12.949531,42.674564,244.31799,577,29,98,0.1532664,0.14235054,0,0,0,0,0.2262826487426,0
73,Fc1nc(N)c2ncn(c2n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,0.28999999,0.70999998,Positive,Negative,0,LT01382,30751,fludarabine,1991,No-DILI-Concern,0,No match,,vNo-DILI-Concern,P(OC[C@H]1O[C@@H](n2c3nc(F)nc(N)c3nc2)[C@@H](O)[C@@H]1O)(O)(O)=O,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=30bac07f-86bd-4a03-8ea1-7ab2d42d3ea3,2,34.866516,0,0,2,3,7,0,9,0,32,4,11,20,6,64.151527,2.0047352,0,0,10,0,1,12,0,5,4,0,0,1.7515098,-2.5108693,-0.67855549,0.75986838,2.77002,-2.7103457,-0.71180427,0.56717074,2.6369901,-2.3198555,-0.47248212,0.85498625,2.9579246,21.517485,2,0.090909094,10,34,0,22,4,2,0.090909094,24,0,14.438793,10.087916,5.5938582,6.0330157,9.5240755,5.8061733,1.9082483,2.0749149,4,4,0.91745478,9,0,-0.80363476,-0.43889606,0.17580996,2.5821691,-1.3347142,-0.53776473,0.040642899,2.5315762,-0.52611285,-0.24114102,0.24749286,2.8049467,14.917356,5.6528926,2.4934359,11.590303,4.3292599,1.8895155,2.508872,9,5,1,0,-1.7989399,-1.8594,6.3299117,1,1,15,1,3,3,1,0,0,2.841898,-2.841898,0.1099608,0.13806492,0,40.54361,75.345238,20.586502,30.972517,0,18.002869,0,0,0,23.273788,5.6825762,6.6511192,25.806377,0.64711237,0.24877548,0.15449794,0.3528876,0.75122452,0.19838966,159.74915,61.41386,38.140072,87.115456,185.45074,48.975388,0.44444445,0.80000001,0,0,0,0,1,0,0,0,1,0,246.86459,0,0,0,246.86459,0,5,1,3,0,0,1,-1.7454,109.05286,52.25568,38.669197,20.926258,0,0,0,20.644976,6.0398216,17.288033,6.2813802,10.999887,143.37148,8.2633629,25.44577,6.187367,49.682716,20.926258,0,139.53999,0.49991596,5.4594316,2.9699318,8.3672571,246.86459,310.89813,19.551485,0,0,17.742489,66.042221,78.124046,77.994736,285.23499,753,34,110,0.046885464,0.050130274,0,0,0,0,0.3673575054854,0
74,Clc1cc2c(cc1)\C(\c1ncccc1CC2)=C\1/CCN(CC/1)C(OCC)=O,0.62,0.38,Negative,Negative,0,LT01498,3957,loratadine,1993,No-DILI-Concern,0,No match,,vNo-DILI-Concern,Clc1cc2c(cc1)C(c1ncccc1CC2)=C1CCN(CC1)C(OCC)=O,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=cd21751e-e62f-40f3-a254-f2db7cf9c101,2,60.040237,0,0,2,2,2,0,12,0,50,0,2,27,22,76.043388,1.5208678,0,0,22,1,0,23,0,2,2,0,0,1.4903163,-2.6812871,-0.5199042,0.54333282,2.6337402,-2.7190635,-0.32990497,0.70933062,2.6602275,-2.4089861,-0.27412891,0.77051264,2.903801,31.737761,2,0.06666667,12,53,2,30,3,3,0.1,39,0,18.802753,16.258667,13.413849,14.811191,13.169035,9.9164343,7.3146958,9.048008,0,0,0.74276459,13,0,-0.82861358,-0.37280524,0.011255102,2.8369174,-0.95879191,-0.27813795,0.13196869,2.9225769,-0.51622021,-0.15065485,0.19021273,3.1130643,20.280001,9.212018,4.4518433,16.249695,7.3144426,3.5109806,4.4021282,4,0,1,0,3.8989999,-4.1960502,10.851775,0,1,24,1,4,3,1,0,0,1.6652632,-1.6652632,0.21814933,0.19082262,113.83964,55.773933,0,0,0,0,19.199511,96.94326,56.300293,0,0,13.566921,8.1863317,0,0.88743359,0.48101169,0.059792913,0.11256638,0.51898831,0.052773472,322.85712,174.99681,21.753254,40.952763,188.81308,19.199511,0.46153846,0.85714287,0,0,0,0,1,0,0,0,1,0,363.80991,0,0,0,363.80991,0,7,0,4,0,0,1,4.70503,0,27.22648,10.999887,60.99099,12.313473,40.922386,3.5006065,105.43027,37.736813,96.336876,10.5886,34.862103,19.909843,3.185575,18.999655,0,180.9039,65.122055,72.474655,42.43,0.41024774,5.9068904,3.3899591,9.2298813,363.80991,515.49438,19.249496,0,0,0,306.48584,21.703266,19.249496,382.89099,1772,49,144,0.08063677,0.76645362,0.5,1,0,0,0.11689138133041,0
75,O(N)C(=O)CNC(=O)c1ccccc1,0.51999998,0.47999999,Negative,Negative,0,LT00054,2148,aminohippurate,1944,No-DILI-Concern,0,No match,,vNo-DILI-Concern,OC(=O)CNC(=O)c1ccc(N)cc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=a1975215-25f1-4c5a-878d-bcbf5326bb92,2,27.11393,1,1,0,0,3,0,6,0,24,2,5,14,7,41.535606,1.7306503,0,0,9,0,0,10,0,2,3,0,0,2.1752274,-2.3431866,-0.60494018,0.65045774,2.3747072,-2.6307766,-0.54647791,0.69990325,2.2763009,-2.0706801,-0.45312554,0.78873444,2.6324184,13.44407,3,0.21428572,6,24,2,14,3,5,0.35714287,16,0,10.388906,7.3959532,5.0938582,5.9746914,6.736382,3.9658651,2.5142369,3.5580783,0,0,0.79259646,9,0,-0.81300545,-0.40318823,0.092464879,2.1437728,-1.3526607,-0.32935771,0.14666009,2.1562467,-0.47091764,-0.22137208,0.18712285,2.419852,12.071428,6.4775085,4.3878117,8.3276844,4.3265352,2.8586249,2.5735726,5,3,1,0,0.029999999,-2.0251,5.1278257,1,1,6,1,1,3,0,0,0,1.5877988,-1.5877988,0.18762214,0.21583085,2.2085397,29.857702,13.192325,25.857038,0,27.65803,0,24.509808,36.764713,0,0,17.756165,27.133842,0.13689101,0.64556915,0.5183537,0.21956302,0.35443085,0.48164627,0.13486785,132.39012,106.30141,45.026897,72.684929,98.773636,27.65803,0.44444445,0.80000001,0,0,0,0,1,0,0,0,1,0,205.07506,0,0,0,205.07506,0,5,1,1,0,0,1,-0.16670001,53.52227,13.004248,35.080978,18.439579,27.047791,0,0,88.215919,0,0,4.9054599,58.943195,0,18.01075,3.185575,35.51152,88.215919,31.443827,0,81.419998,0.59167278,4.8073549,2.9468722,7.2778606,205.07506,245.00488,27.133842,0,0,5.6825762,101.55052,33.56039,55.761593,194.19,343,16,62,0.038782157,0.034372177,0,0,0,0,0.7503144145009999,0
76,S(=O)(=O)([O-])CCCCN\1c2c(c3c(cc2)cccc3)C(C)(C)/C/1=C\C=C\C=C\C=C\C1=[N+](c2c(c3c(cc2)cccc3)C1(C)C)CCCCS(O)(=O)=O,0.28,0.72000003,Positive,Negative,0,LT00141,19190,indocyanine green,1959,No-DILI-Concern,0,No match,,vNo-DILI-Concern,S(=O)(=O)([O-])CCCCN1c2c(c3c(cc2)cccc3)C(C)(C)C1=CC=CC=CC=CC1=[N+](c2c(c3c(cc2)cccc3)C1(C)C)CCCCS(=O)(=O)[O-].[Na+],http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=a24348da-94f8-4c1c-aa8a-a161c01b5cef,2,119.83127,0,0,2,4,0,6,20,1,100,0,0,53,42,150.48079,1.5048078,0,0,43,0,0,47,0,2,6,0,2,1.0237612,-2.6312358,-0.53191423,0.59579134,2.6939745,-2.6393511,-0.4350844,0.69592166,2.7198174,-2.3644071,-0.40193024,0.7346459,2.9523032,70.208733,14,0.24137931,22,105,5,58,6,14,0.24137931,78,0,38.020088,32.419914,26.626509,29.865385,25.09412,21.312351,15.053418,19.237183,0,0,0.73990178,22,-1,-0.94645464,-0.41576868,0.061046589,3.1041358,-0.94733268,-0.33842444,0.14162622,3.1932511,-0.53881615,-0.18883097,0.16246605,3.3744767,42.601665,17.869204,10.003078,35.448479,14.813961,8.2712431,9.9081583,8,0,0,2,10.438,-12.38287,21.251741,0,1,34,0,6,14,4,0,0,3.8240914,-4.8240914,0.055633329,0.096770316,173.25221,81.042336,25.592316,41.246624,6.6995511,0,0,94.004082,209.06401,0,23.025566,0,0,96.049568,0.86299682,0.56287545,0.12807015,0.13700317,0.43712455,0.008933018,647.22711,422.14322,96.049568,102.74912,327.83304,6.6995511,0.5,1,0,0,0,0,1,0,0,0,1,0,749.97626,0,0,0,749.97626,0,11,1,6,0,0,0.33962265,8.3703003,3.1243138,149.1709,16.193399,71.346283,6.37115,2.7567475,0,345.51236,75.473625,138.81755,21.418779,146.41415,0,3.1243138,9.1278973,15.805352,410.69412,74.103035,149.49747,108.67,0.24820232,6.8579812,4.3293009,11.16507,749.97626,1016.3362,96.049568,96.049568,0,0,590.74719,29.725117,96.049568,751.98901,13138,92,290,0.54410493,0.93655258,0.80000001,4,3,1,0.9833965748550001,0
77,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,0.87,0.13,Negative,Negative,0,LT00327,5793,dextrose,1971,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C1O,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=085614c7-ada4-4e2c-87c0-c9bc2f18365a,2,23.373516,0,0,2,4,6,0,0,0,24,5,11,12,5,36,1.5,0,0,6,0,0,12,0,0,6,0,0,3.9909844,-2.613415,-0.66086477,0.74102122,2.6899571,-2.827276,-0.83183694,0.53391182,2.4648204,-2.4141736,-0.5483579,0.81818831,2.8740621,14.076484,5,0.45454547,0,23,1,11,8,5,0.45454547,22,0,9.7236147,6.2381744,3.5938582,3.7236147,5.5401111,3.3263073,1.7415817,1.8164966,4,4,0.881989,7,0,-0.79282063,-0.42387328,0.20072459,2.3395572,-0.96162623,-0.60689837,-0.0077410173,2.1601646,-0.52581936,-0.27422231,0.2308726,2.5208457,12,5.6122451,3.515625,11.07052,5.1365461,3.1975899,4.7386866,6,5,1,0,-2.941,1.3896101,3.7862496,0,1,0,1,0,5,0,0,0,2.2319779,-2.2319779,0.094290532,0.17579749,0,40.54361,23.885101,18.504883,51.620865,0,0,0,0,0,0,0,13.566921,38.8377,0.44359222,0.28029996,0.28029996,0.55640775,0.71970004,0.27610782,82.933594,52.404621,52.404621,104.02548,134.55446,51.620865,0.42857143,0.75,0,0,0,0,1,0,0,0,1,0,186.95908,0,0,0,186.95908,0,4,1,0,0,0,1,-3.3787999,126.92613,0,69.882034,20.926258,0,0,0,0,0,0,3.7177,23.862217,126.92613,0,25.874598,0,0,20.926258,20.14522,118.22,0.61674827,4.4594316,2.5538447,6.8678312,186.95908,204.26103,13.566921,0,0,0,55.892551,22.058474,81.401527,180.15599,206,16,50,0.38435572,0.0053162938,0,0,0,2,1.3470903933052,0
78,O=C1N[C@@H](CC1)C(=O)N[C@@H](Cc1[nH]cnc1)C(=O)N1CCC[C@H]1C(=O)N,0.66000003,0.34,Negative,Negative,0,LT00349,638678,protirelin,1976,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O=C1N[C@@H](CC1)C(=O)N[C@@H](Cc1[nH]cnc1)C(=O)N1CCC[C@H]1C(=O)N,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=af5da799-76bf-415a-9dc7-99c7ddc62bc4,2,52.637447,0,0,3,5,6,0,5,0,48,5,11,26,11,82.46093,1.717936,0,0,16,0,0,22,0,6,4,0,0,1.653765,-2.5698705,-0.5603286,0.47128198,2.7361035,-2.8089406,-0.57183427,0.41871709,2.6875494,-2.3084126,-0.34994772,0.6209659,2.9878752,32.502556,7,0.25,5,50,4,28,4,8,0.2857143,41,0,18.681435,14.234162,9.6293917,10.275657,12.452397,8.6221809,4.5865521,4.9494896,3,3,0.80037409,11,0,-0.84625989,-0.42569044,0.061323211,2.7750428,-1.3706203,-0.41123605,0.052047078,2.679472,-0.52477801,-0.24448046,0.17939959,3.0105486,20.727041,9.4674559,5.2992001,14.956237,6.7351375,3.7316318,3.8743196,10,5,1,0,-2.7160001,-1.65224,9.1997843,0,1,15,1,3,7,1,0,0,3.1327512,-3.1327512,0.07881666,0.11751259,105.22505,38.29847,13.703267,43.095066,51.798122,0,0,26.103939,0,0,0,5.6825762,54.267685,7.0617924,0.65585804,0.26971695,0.19410507,0.34414193,0.73028308,0.15003687,226.4258,93.11599,67.012054,118.81017,252.11998,51.798122,0.45454547,0.83333331,0,0,0,0,1,0,0,0,1,0,345.23596,0,0,0,345.23596,0,6,0,3,0,0,1,-1.80813,68.918686,40.944977,124.1803,18.439579,2.7567475,18.868406,0,33.999886,75.473625,0,8.9316502,95.448868,19.909843,52.80703,14.702654,32.897186,128.34192,39.474712,0,150.28,0.41210872,5.8073549,3.2788389,9.1456223,345.23596,452.77576,54.267685,0,0,29.107641,146.4397,76.588638,94.740479,362.38998,1657,35,134,0.029935572,0.1318702,0,0,0,0,0.16342324623808,0
79,S(=S)(O)(O)=O,0.50999999,0.49000001,Negative,Negative,0,LT00439,24477,sodium thiosulfate,1992,No-DILI-Concern,0,No match,,vNo-DILI-Concern,S(=S)(=O)([O-])[O-].[Na+].[Na+],http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=82f55408-2de9-463d-85e8-b39c3b259f0b,2,8.2060003,1,1,0,0,0,4,0,0,5,0,0,5,0,4.854753,0.9709506,0,0,0,0,0,0,0,0,3,0,2,3.0237157,-2.3608546,-0.48515666,-0.37193429,1.6464911,-2.1359141,-0.3339,-0.16786781,1.8820659,-1.5473752,0.077739999,0.40928048,2.5230646,6.2940001,0,0,0,4,0,4,2,0,0,4,0,4.5,3.6742346,0,0,2,3,0,0,0,0,1.5199943,2,-2,-1.0289793,-0.64515668,-0.53025043,0.79209,-0.79947847,-0.4939,-0.3233881,1.0189106,-0.2260254,-0.082259998,0.26939389,1.6515446,5,1,0,9.375,2.2222221,0,4.166666,3,0,1,0,-0.052000001,-0.91679001,1.6729997,0,1,0,1,0,0,0,0,0,0,-2,0,0.24257833,0,0,0,0,0,0,0,0,0,0,0,0,46.849419,48.024784,0,1,1,1,0,0,0,94.874199,94.874199,94.874199,0,0,0.5,1,0,0,0,0,1,0,0,0,1,0,94.874199,0,0,0,94.874199,0,1,0,0,0,0,1,-1.0065,0,72.25753,50.128227,0,0,0,0,0,0,0,1.70622,72.25753,0,0,0,0,0,0,50.128227,83.300003,0.90438145,3,0.9709506,4.25,94.874199,73.769363,48.024784,81.385361,0,0,0,13.488845,48.024784,112.12901,16,0,20,0.22577928,0.00069120579,0,0,0,2,2.387441255152,0
80,P(OC1CCC(CC1)(c1ccccc1)c1ccccc1)(OC[C@H](N(CC(O)=O)CC(O)=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)(O)=O,0.49000001,0.50999999,Positive,Negative,0,LT00528,158440,gadofosveset trisodium,2008,No-DILI-Concern,0,No match,,vNo-DILI-Concern,[Gd+3].P(OC1CCC(CC1)(c1ccccc1)c1ccccc1)(OC[C@H](N(CC(=O)[O-])CC(=O)[O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])(=O)[O-].[Na+].[Na+].[Na+].O,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=8175d0e7-b627-6c68-73e6-d1fc7660775d,2,103.57652,0,0,1,3,2,12,12,3,92,0,2,51,28,155.9852,1.6954913,0,0,33,0,0,41,0,3,14,1,0,1.7076483,-2.8057413,-0.54411232,0.67158854,2.802712,-3.6109943,-0.55697137,0.59516829,2.848417,-2.6006517,-0.45822868,0.71306074,3.0242758,71.589485,23,0.43396226,12,94,5,53,13,23,0.43396226,77,0,37.605873,28.677708,20.120592,21.959608,24.079863,17.802845,9.9292345,12.091685,1,1,0.82016325,20,-3,-0.86693782,-0.47802007,0.07934092,3.1523721,-2.2617807,-0.49975502,0.096615009,3.1060238,-0.63395607,-0.21556184,0.14952722,3.3663483,45.38982,22.527679,16.32653,38.917461,19.253595,13.922247,14.692177,17,3,0,2,2.5350001,-5.1099901,18.313677,0,1,18,0,3,25,4,0,0,5.6399946,-8.6399946,0.061945248,0.062976003,51.824173,199.39383,112.94994,0,0,18.713068,25.857038,39.222332,122.54904,0,0,0,0,176.45943,0.70409805,0.45280442,0.23623398,0.29590195,0.54719555,0.05966796,525.93933,338.2308,176.45943,221.02953,408.73807,44.570107,0.5,1,0,0,0,0,1,0,0,0,1,0,746.96887,0,0,0,746.96887,0,10,0,3,0,0,0.88235295,-10.8805,267.6572,7.3200407,143.60497,168.44289,6.37115,0,0,176.43184,75.473625,16.185684,16.05241,400.81152,0,0,16.821768,0,251.90547,175.76292,16.185684,266.57001,0.24573661,6.7279205,4.1814842,11.08436,746.96887,895.76312,176.45943,167.12749,0,0,425.3486,92.255562,176.45943,734.672,11160,75,252,0.11185379,0.5,0.60000002,0,2,1,1.828307047487,0
81,Clc1c(cccc1Cl)[C@H]1C(C(OCOC(=O)CCC)=O)=C(NC(C)=C1C(OC)=O)C,0.41,0.58999997,Positive,Negative,0,LT00644,153994,clevidipine,2008,No-DILI-Concern,0,No match,,vNo-DILI-Concern,Clc1c(cccc1Cl)C1C(C(OCOC(=O)CCC)=O)=C(NC(C)=C1C(OC)=O)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=095081a0-1398-11dc-82e1-0002a5d5c51b,2,62.568237,0,0,2,3,3,0,6,0,53,1,4,30,19,89.789421,1.69414,0,0,21,2,0,23,0,1,6,0,0,2.2426484,-2.5092013,-0.40461832,0.35700297,2.5363936,-2.5183117,-0.18433306,0.44615695,2.5988755,-2.2673347,-0.13912158,0.5973419,2.8130651,35.265762,7,0.22580644,6,54,5,31,4,10,0.32258064,43,0,22.421921,18.647999,13.430721,14.593493,14.221652,10.014939,6.1707025,7.5865521,1,1,0.82468659,13,0,-0.81082898,-0.41792092,-0.049978692,2.7144001,-1.0865384,-0.26918676,0.070714273,2.7806549,-0.52304268,-0.1497705,0.19095948,2.9846361,26.253902,12.296376,6.5152354,22.52895,10.493357,5.5380998,7.8801441,7,1,1,0,4.7410002,-5.50983,11.539027,0,1,12,1,2,7,1,0,0,2.4414501,-2.4414501,0.1203991,0.12899773,111.23055,43.162582,8.6190128,21.201273,0,44.125496,0,60.66011,102.42138,0,0,0,45.845165,2.503756,0.78972065,0.48077571,0.10994155,0.21027938,0.51922429,0.10033783,347.29492,211.43042,48.348923,92.474419,228.33893,44.125496,0.46153846,0.85714287,0,0,0,0,1,0,0,0,1,0,439.76935,0,0,0,439.76935,0,7,0,2,0,0,1,4.2452002,18.01075,23.236393,104.58631,22.984112,3.185575,47.268513,11.412009,52.929554,37.736813,178.27533,11.17137,104.58631,0,18.01075,26.482229,0,90.666367,46.220505,213.65919,90.93,0.36176345,5.9541965,3.4653907,9.5539312,439.76935,553.32776,40.700764,0,0,5.6825762,293.36288,79.945221,46.383339,456.32199,2375,51,148,0.32038456,0.30792248,0.2,2,0,0,0.18836148548891,0
82,O1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1n1c2nc(nc(N)c2nc1)-n1ncc(c1)C(=O)NC,0.61000001,0.38999999,Negative,Negative,0,LT00646,219024,regadenoson,2008,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1n1c2nc(nc(N)c2nc1)-n1ncc(c1)C(=O)NC,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=057289f4-2e18-4c1e-bed4-6c1858e2ef16,2,51.212273,0,0,3,5,9,0,14,0,46,5,14,28,9,84.812202,1.8437434,0,0,15,0,0,18,0,8,5,0,0,1.4424801,-2.5108838,-0.60144091,0.74067771,2.7700152,-2.7103453,-0.62384027,0.58071119,2.6370983,-2.3198571,-0.44182685,0.83541179,2.957972,30.471725,4,0.12903225,15,49,1,31,4,5,0.16129032,33,0,19.999271,14.667328,8.748559,9.6019297,13.439091,8.3386698,2.7355986,3.2247448,4,4,0.85961038,14,0,-0.8396399,-0.45887631,0.15356432,2.6702504,-1.3347671,-0.52554721,0.054200001,2.6306856,-0.5261153,-0.23835474,0.23396242,2.9104862,21.240376,8.6257086,3.8797061,15.545678,6.2345119,2.7792578,3.4614184,13,6,0,2,-2.63288,-1.86446,9.3125772,1,1,20,0,4,5,2,0,0,3.6969261,-3.6969261,0.068921164,0.10613315,52.780762,68.028839,75.345238,29.205517,30.972517,28.631105,0,0,0,0,20.786192,5.6825762,20.21804,25.943268,0.68834072,0.20310761,0.14497972,0.31165928,0.7968924,0.16667958,246.14655,72.630074,51.843884,111.44751,284.96399,59.603622,0.5,1,0,0,0,0,1,0,0,0,1,0,357.59406,0,0,0,357.59406,0,7,0,4,0,0,1,-2.3392,127.06361,75.954041,30.405836,20.926258,27.047791,32.897186,0,56.972782,6.0398216,2.3279202,9.3367996,34.862103,146.85094,18.01075,28.631344,8.0864592,84.111427,26.185041,32.897186,186.46001,0.39893496,5.9541965,3.5057654,9.3250713,357.59406,454.1127,42.539444,0,0,23.425066,130.84059,88.752281,106.66528,390.35999,2028,48,154,0.060983311,0.26291203,0.1,0,0,2,2.1643578186632,0
83,OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O,0.74000001,0.25999999,Negative,Negative,0,LT00879,3053,pentetic acid,1976,No-DILI-Concern,0,No match,,vNo-DILI-Concern,OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=becdab53-f7a7-7280-6930-21f3a61b99e7,2,49.962654,0,0,1,3,0,10,0,3,48,0,0,27,9,84.562393,1.7617166,0,0,14,0,0,21,0,3,10,0,0,4.7360501,-2.7581201,-0.54411227,0.68210864,2.7706742,-3.6045213,-0.7510283,0.50341183,2.3102229,-2.5789955,-0.45513585,0.65390855,2.9368567,36.497349,16,0.61538464,0,47,5,26,10,16,0.61538464,42,0,20.982763,14.446444,8.8639612,9.2507124,12.488978,7.9909887,2.767767,3.0412414,0,0,0.87388408,12,-2,-0.86745942,-0.51835138,0.1627626,2.8344789,-2.2616725,-0.55853128,0.09510795,2.5004659,-0.63387263,-0.23029399,0.12503271,2.9886761,27,14.921947,16.639999,22.642567,12.424357,13.78125,10.419234,13,3,1,1,-1.949,-0.49248999,8.7165594,0,1,0,0,0,16,3,0,0,4.4112539,-6.4112539,0.079149105,0.084868319,0,150.31944,118.73093,0,0,0,25.857038,0,0,0,0,0,0,135.6692,0.62486058,0.31508726,0.31508726,0.37513939,0.68491274,0.060052119,269.05035,135.6692,135.6692,161.52625,294.90741,25.857038,0.5,1,0,0,0,0,1,0,0,0,1,0,430.57663,0,0,0,430.57663,0,6,0,0,0,0,1,-13.6094,222.78966,7.3200407,119.31108,165.95621,0,0,0,0,0,0,7.1726098,342.10074,0,0,0,0,0,173.27625,0,213.97,0.37086964,5.7004399,3.5320911,9.2441072,430.57663,447.80881,135.6692,135.6692,0,0,182.69556,73.542496,135.6692,391.33298,2096,30,118,0.15659225,0.0068309964,0,1,0,2,2.503086537122,0
84,O[C@H]1C[C@@H](O)[C@@H](C\C=C\CCCC(O)=O)C1\C=C/[C@@](O)(CCCCC)C,0.92000002,0.079999998,Negative,Negative,0,LT00898,5284525,carboprost tromethamine,1979,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O[C@H]1C[C@@H](O)[C@H](\C=C\[C@@](O)(CCCCC)C)[C@H]1C\C=C\CCCC(O)=O,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=3d282998-ff0c-480a-bd80-155606ef0a65,2,64.307755,0,0,1,3,3,2,0,0,61,3,6,26,20,78.401764,1.2852749,0,0,21,0,0,35,0,0,5,0,0,2.3643022,-2.6922367,-0.56567389,0.61318207,2.8137724,-2.6353481,-0.52529925,0.60483044,2.807936,-2.4444437,-0.4344947,0.75123602,3.0455642,40.178246,12,0.46153846,0,61,3,26,8,12,0.46153846,58,0,19.57914,16.1409,13.982763,14.57914,12.264856,9.8923826,8.7441301,9.4554548,5,5,0.69069111,17,-1,-0.8514604,-0.39274517,0.068671659,2.8947859,-1.4897255,-0.32845479,0.10044373,2.951741,-0.5363394,-0.21588559,0.17596981,3.1207912,24.038462,12.456747,9.6771364,21.778181,11.238939,8.7053242,9.4139872,5,3,1,0,3.201,-3.6240001,10.266881,0,1,7,1,1,13,1,0,0,1.9799006,-2.9799006,0.1063586,0.18450971,134.30984,35.402172,0,0,30.972517,0,0,62.254242,93.871231,0,0,0,0,50.436462,0.80009902,0.50721604,0.12384751,0.199901,0.49278396,0.076053493,325.83749,206.56194,50.436462,81.408981,200.68454,30.972517,0.47058824,0.8888889,0,0,0,0,1,0,0,0,1,0,407.24649,0,0,0,407.24649,0,9,0,1,0,0,0,2.0983,118.83902,1.4640081,36.799515,0,8.8215923,0,0,70.572739,169.81564,66.652031,10.01314,66.545563,76.155678,8.8215923,12.937299,0,240.38838,1.4640081,66.652031,100.82,0.39124358,5.7004399,3.7883413,9.0788631,407.24649,532.08447,27.133842,27.133842,0,0,285.66144,14.708499,67.834602,367.50598,2044,32,120,0.23614357,0.29936719,0.1,0,0,2,1.9329488277438,0
85,O(C(=O)CCCCCCC\C=C/CCCCCCCC)CCN,0.74000001,0.25999999,Negative,Negative,0,LT00926,6433328,ethanolamine oleate,1988,No-DILI-Concern,0,No match,,vNo-DILI-Concern,OC(=O)CCCCCCC\C=C\CCCCCCCC.OCCN,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=a9c1d8c5-443e-400e-a42c-16a25fb47231,1,64.575722,0,0,2,3,1,0,0,1,63,0,1,23,19,75.252953,1.1944913,0,0,20,0,0,40,0,1,2,0,0,3.0246556,-2.7010288,-0.34016934,0.43234131,2.6368737,-3.2948201,-0.21170084,0.37729135,2.8054047,-2.4467196,-0.11206847,0.31902212,2.8902545,45.28228,17,0.77272725,0,62,2,22,10,18,0.81818181,60,0,17.012379,15.492012,13.968409,14.305272,11.308061,9.9074135,8.7104902,9.1153555,0,0,0.61966074,21,1,-0.85761476,-0.34832552,0.13317411,2.6579325,-2.2347577,-0.23864919,0.07855881,2.7903402,-0.64155614,-0.14822686,0.021876406,2.8757031,23,20.045454,19.954649,21.31214,18.507221,18.372942,17.149063,3,3,1,0,5.4260001,-7.06569,10.13931,0,1,1,0,0,17,2,0,0,2.8140476,-1.8140476,0.12259597,0.19794403,140.92828,25.592316,28.143618,0,0,14.708499,25.857038,43.506565,112.86799,0,0,0,13.566921,3.6091905,0.85874653,0.42455721,0.04201794,0.14125346,0.57544279,0.09923552,351.03876,173.55067,17.176111,57.74165,235.22975,40.565536,0.47619048,0.90909094,0,0,0,0,1,0,0,0,1,0,408.78043,0,0,0,408.78043,0,11,0,0,0,0,1,4.809,32.897186,7.7454643,34.862103,39.365837,0,0,0,35.286369,264.15768,33.326015,9.8166103,34.862103,0,32.897186,0,0,299.44403,47.111301,33.326015,53.939999,0.41327167,5.4594316,4.1511774,8.6613388,408.78043,526.97382,13.566921,0,17.742489,17.742489,324.70233,17.212255,31.30941,326.54498,1956,21,88,0.55643123,0.057903886,0.69999999,0,0,3,2.211853809655,0
86,OC(CN1CCN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O)C,0.60000002,0.40000001,Negative,Negative,0,LT00952,60714,gadoteridol,1992,No-DILI-Concern,0,No match,,vNo-DILI-Concern,[Gd+3].OC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=778aee03-7d4c-481a-be8a-a75db0702f5a,2,61.938168,0,0,1,3,1,6,0,4,61,1,2,28,14,98.171616,1.6093708,0,0,17,0,0,33,0,4,7,0,0,2.8471687,-2.8124199,-0.54411232,0.69208544,2.8291845,-3.647207,-0.6916253,0.50805265,2.4390404,-2.6375592,-0.44555196,0.65338331,2.9906778,47.103832,8,0.2857143,0,61,3,28,5,8,0.2857143,58,0,21.104084,16.459335,11.562632,11.794683,13.150775,9.771843,4.0462589,4.2103434,1,1,0.76955318,12,1,-0.87133324,-0.37367806,0.16507618,3.169302,-2.2618802,-0.5310294,0.096035227,2.8491766,-0.63615113,-0.22799806,0.12750694,3.3024709,26.035715,14.083333,13.040123,23.546926,12.687701,11.715464,10.66987,11,5,1,1,-1.908,-0.12692,10.063205,0,1,12,0,0,20,3,0,0,5.9812384,-4.9812384,0.05834889,0.10923234,12.796158,150.76015,163.21283,0,10.324173,0,34.476051,18.747677,0,0,0,0,0,89.169067,0.72059816,0.22506751,0.18596798,0.27940181,0.7749325,0.093433835,345.51682,107.91674,89.169067,133.96928,371.56937,44.800224,0.33333334,0.5,0,0,0,0,1,0,0,0,1,0,479.48611,0,0,0,479.48611,0,8,0,1,0,0,1,-11.8299,165.93251,4.3920245,78.055298,221.27493,0,0,0,0,0,33.326015,8.8956604,212.13393,25.385227,0,6.4686494,0,0,225.66696,33.326015,158.38,0.37123233,5.8073549,3.3967867,9.3698988,479.48611,526.89276,81.401527,81.401527,0,0,281.46103,44.125496,94.968445,405.47198,2076,36,128,0.08110296,0.025377952,0.40000001,0,0,4,3.3019849434498,0
87,O(C(C)c1c2[nH]c(C=C3N=C(C=C4N=C(C=c5[nH]c(=C2)c(C)c5C(O)C)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C)c1C)C(C)c1c=2[nH]c(=Cc3[nH]c(C=C4N=C(C=C5N=C(C=2)C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4C)c(C)c3C(O)C)c1C,0.44,0.56,Positive,Negative,0,LT00972,57166,porfimer,1995,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O(C(C)c1c2[nH]c(C=c3[nH]c(=CC4=NC(=CC5=NC(=C2)C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4C)c(C)c3C(O)C)c1C)C(C)c1c=2[nH]c(=CC3=NC(=CC4=NC(=Cc5[nH]c(C=2)c(C)c5C(O)C)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C)c1C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=5c4841b4-fbc0-4163-8ee1-cb28629cbfbf,2,183.97751,0,0,4,6,7,8,20,0,157,6,13,87,60,240.20442,1.5299644,0,0,68,0,0,70,0,8,11,0,0,0.93810916,-2.5380864,-0.54981059,0.43931487,2.5344582,-2.4425056,-0.50729126,0.51447481,2.6686158,-2.2880592,-0.37392178,0.66990626,2.8054142,94.02449,18,0.1875,20,166,20,96,6,18,0.1875,126,0,62.771679,50.942574,42.585056,46.407719,41.181469,29.32098,22.911331,28.059496,4,4,0.74305505,29,-4,-0.85787857,-0.48665881,-0.079509787,3.3461649,-1.4908102,-0.34283081,0.0021318302,3.4172454,-0.51806307,-0.20341177,0.17931332,3.6370435,69.819008,29.552914,15.1704,52.63319,22.201246,11.369324,13.431293,19,6,0,3,10.084,-11.23974,32.622822,0,1,56,0,8,26,5,0,0,4.8220124,-8.8220119,0.04359591,0.062322579,343.06464,124.40076,0,34.476051,20.648346,0,0,419.12433,0,0,0,22.730305,0,127.12177,0.84380203,0.52124774,0.1372817,0.15619797,0.47875226,0.018916255,921.0658,568.97644,149.85207,170.50041,522.58978,20.648346,0.48275861,0.93333334,0,0,0,0,1,0,0,0,1,0,1091.5662,0,0,0,1091.5662,0,15,0,10,0,0,0.1724138,4.4602799,227.62993,16.883022,173.59087,0,36.511589,103.65371,0,35.286369,282.68094,399.91217,32.593342,277.18213,117.91257,73.268227,98.897774,0,186.23361,122.74213,399.91217,322.81,0.17059474,7.5849624,4.5448275,12.634021,1091.5662,1581.7845,133.76942,108.53537,0,22.730305,755.40265,85.632202,183.63358,1175.353,41186,160,482,0.56553483,0.68591589,1,4,3,4,3.6560937166215,0
88,Oc1ccc(cc1)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H]1N(CCC1)C(=O)[C@@H](NC(=O)[C@H]1N(CCC1)C(=O)[C@H](N)Cc1ccccc1)CCCNC(N)=N)CC(=O)N)CC(O)=O)Cc1ccccc1)CCC(O)=O)CCC(O)=O)[C@H](CC)C)CCC(O)=O)CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O,0.56,0.44,Negative,Negative,0,LT01027,16129704,bivalirudin,2000,No-DILI-Concern,0,No match,,vNo-DILI-Concern,Oc1ccc(cc1)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H]1N(CCC1)C(=O)[C@@H](NC(=O)[C@H]1N(CCC1)C(=O)[C@H](N)Cc1ccccc1)CCCNC(N)=N)CC(=O)N)CC(O)=O)Cc1ccccc1)CCC(O)=O)CCC(O)=O)[C@H](CC)C)CCC(O)=O)CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=799d3b00-809b-4abc-989c-05faccec49f8,2,314.69626,0,0,3,5,21,12,18,4,289,18,39,155,71,490.9519,1.6987956,0,0,98,0,0,134,0,24,33,0,0,1.0412794,-2.6916251,-0.54981971,0.52405083,2.760215,-3.3095427,-0.53807992,0.49006867,2.7120657,-2.4409034,-0.366777,0.65349907,3.0086,191.00574,69,0.43125001,18,294,27,160,7,86,0.53750002,249,0,114.99259,85.81723,60.025276,64.239723,73.303581,50.197773,30.227072,34.285927,16,16,0.79845446,65,-4,-0.85237598,-0.47026828,0.079278491,3.2945998,-2.2351868,-0.44540548,0.054200001,3.2057066,-0.64104617,-0.23556481,0.17369714,3.5318708,143.59297,77.267365,55.149357,107.53825,57.751846,41.164833,40.067951,57,27,0,3,-5.5689998,-14.42165,54.730934,0,1,34,0,6,70,6,0,0,18.057863,-22.057863,0.019135313,0.024926245,429.44019,284.78369,45.162872,158.28819,256.36526,56.044598,41.538612,179.05775,230.75087,0,0,0,284.77756,180.5174,0.6183756,0.40764549,0.21674621,0.3816244,0.59235454,0.16487819,1327.4835,875.10358,465.29495,819.24341,1271.6234,353.94846,0.49230769,0.969697,0,0,0,0,1,0,0,0,1,0,2146.7271,0,0,0,2146.7271,0,33,0,6,0,0,1,-18.66119,718.03156,125.23176,680.14716,165.95621,18.378317,56.605217,0,247.00458,377.3681,138.54749,52.194302,876.5177,66.430138,347.90155,74.529686,65.794373,680.97791,281.815,133.30406,921.90997,0.10207187,8.321928,5.7981243,14.230644,2146.7271,2725.6218,434.14148,162.80305,58.910046,167.57375,1005.2382,362.92319,615.28217,2176.2849,286334,230,752,0.4965179,0.98923844,0.5,2,2,4,3.985756337642,0
89,S(=O)(=O)(NC(CCC\N=C(\N)/N)C(=O)N1CC[C@H](C[C@@H]1C(O)=O)C)c1c2NCC(Cc2ccc1)C,0.27000001,0.73000002,Positive,Negative,0,LT01030,152951,argatroban,2000,No-DILI-Concern,0,No match,,vNo-DILI-Concern,S(=O)(=O)(N[C@@H](CCCN=C(N)N)C(=O)N1CC[C@H](C[C@@H]1C(O)=O)C)c1c2NC[C@@H](Cc2ccc1)C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=9c9616c0-a299-4fd5-c8ae-79e6db453595,2,77.994545,0,0,1,3,3,2,6,3,71,2,5,35,20,119.3534,1.6810338,0,0,23,0,0,36,0,6,5,0,1,1.7475584,-2.7931952,-0.57677871,0.56064063,2.7452826,-3.1233542,-0.50284064,0.57555163,2.7638011,-2.52809,-0.41729528,0.69720531,3.0113235,51.345451,10,0.27027026,6,73,3,37,8,10,0.27027026,64,0,25.750347,21.066206,14.698306,15.551678,16.490908,13.487393,7.7791109,8.6622686,4,4,0.77694833,14,0,-0.84655517,-0.40718585,0.070995666,2.9902899,-2.2031248,-0.3481001,0.11198212,2.9668067,-0.56373525,-0.2115781,0.15715805,3.2409861,29.554419,13.181203,7.9926538,25.005802,11.095103,6.7026186,7.9269133,11,7,0,3,2.2130001,-3.8986599,13.254139,0,1,18,0,3,11,4,0,0,3.9443436,-3.9443436,0.086890273,0.1388528,146.84904,68.404076,15.318564,0,12.949531,47.279667,15.681574,45.715107,62.005161,0,2.5295215,32.016521,27.142942,27.133842,0.67754304,0.39072189,0.17154856,0.32245693,0.60927808,0.15090838,340.82147,196.54309,86.293304,162.20407,306.48245,75.910774,0.5,1,0,0,0,0,1,0,0,0,1,0,503.02554,0,0,0,503.02554,0,7,0,3,0,0,0.71428573,-2.55123,141.66824,77.928635,62.329113,55.318733,12.007167,20.41914,0,52.929554,75.473625,69.408775,12.92607,155.36499,3.1243138,26.777323,11.149512,86.561874,147.27158,63.94062,73.29277,184.64999,0.32906306,6.2094536,3.6136901,10.008429,503.02554,654.66901,72.717285,27.133842,41.167557,54.925339,277.09225,53.445213,127.64262,508.64398,3704,57,180,0.014987249,0.69471008,0.30000001,0,0,4,3.4610467106104,0
90,FC(F)(C(F)(F)F)C(F)(F)F,0.28999999,0.70999998,Positive,Negative,0,LT01065,6432,perflutren,2001,No-DILI-Concern,0,No match,,vNo-DILI-Concern,FC(F)(C(F)(F)F)C(F)(F)F,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=8ab9c79c-1b5c-4e86-899c-cc74686f070a,2,9.7360001,1,1,0,0,0,0,0,0,11,0,0,11,11,9.2988605,0.84535092,0,0,3,0,8,0,0,0,0,0,0,4.7484088,-2.2104843,-0.17900121,-0.16472349,2.7351174,-2.4890473,0.42019999,0.42019999,2.457417,-2.226712,0.1108,0.1108,2.6754718,9.6239996,0,0,0,10,0,10,4,2,0.2,10,0,9.5,4.523716,1.5,1.5,4.5,2.011858,0.5,0.5,0,0,1.6739169,4,0,-0.50401789,-0.33900121,-0.32472348,1.9756826,-0.87237608,0.26019999,0.26019999,1.9045482,-0.50855893,-0.049199998,-0.049199998,1.9743217,11,2.5,1.9753087,9.5617256,2.1397312,1.6674129,1.8599565,0,0,1,0,2.8334401,-2.4598601,1.4567618,0,1,0,1,0,0,0,0,0,1.3606211,-1.3606211,0.34049785,0.13680522,0,0,0,0,0,0,20.3242,0,0,0,95.269089,0,0,0,0.82417488,0.82417488,0,0.17582509,0.17582509,0.17582509,95.269089,95.269089,0,20.3242,20.3242,20.3242,0.5,1,0,0,0,0,1,0,0,0,1,0,115.59328,0,0,0,115.59328,0,2,0,0,0,0,1,2.7463,0,17.343105,0,0,0,0,0,0,0,119.68091,1.7057,0,119.68091,17.343105,0,0,0,0,0,0,0.64681429,4.321928,1.9292524,6.664022,115.59328,112.32157,0,0,0,0,115.59328,0,0,188.017,136,18,56,0.46558252,0.0010503555,0,0,0,3,3.457618966699,0
91,O1[C@H](CN)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@H](NC(=O)[C@@H](O)CCN)C[C@@H]1N,0.79000002,0.20999999,Negative,Negative,0,LT01068,37768,amikacin,1981,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O1[C@H](CN)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@H](NC(=O)[C@@H](O)CCN)C[C@@H]1N,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=6ec3129b-c53b-4bdb-913d-a2d0060fa140,2,85.985268,0,0,3,5,13,0,0,4,87,9,22,40,19,141.64755,1.6281328,0,0,22,0,0,47,0,5,13,0,0,1.8425663,-2.810508,-0.51114905,0.62732399,2.8832181,-3.3445029,-0.58790058,0.49980369,2.6766195,-2.6172004,-0.4180806,0.69076854,3.0646186,55.382729,10,0.23809524,0,89,1,42,6,11,0.26190478,88,0,29.886023,22.220516,13.273138,13.350489,18.851881,13.398451,6.8299165,6.8745747,16,16,0.82795793,15,4,-0.86245149,-0.36348552,0.18524019,3.2592046,-2.2362037,-0.46470177,0.054200001,3.0799327,-0.64253372,-0.23614916,0.15044485,3.4212539,34.489796,15.134642,7.7555523,33.267967,14.584665,7.4687963,12.130054,18,21,0,3,-8.2089996,2.0072501,13.316981,0,1,18,0,3,16,5,0,0,10.485474,-6.4854736,0.032929715,0.060498945,34.464172,120.86269,72.79892,35.833759,82.593384,12.949531,103.42815,0,0,0,0,0,13.566921,76.713974,0.47714037,0.16319418,0.16319418,0.52285963,0.83680582,0.35966545,263.95953,90.280899,90.280899,289.25195,462.9306,198.97107,0.46666667,0.875,0,0,0,0,1,0,0,0,1,0,553.21149,0,0,0,553.21149,0,8,1,3,0,0,1,-11.2914,352.6813,5.2587838,168.01582,57.805416,0,0,0,0,37.736813,0,12.62285,67.861771,203.08182,149.5995,100.15405,0,37.736813,63.064198,0,338.42001,0.29692331,6.3923173,3.7147152,10.399692,553.21149,712.1618,23.581945,0,70.969955,76.652534,207.41684,42.366531,208.76985,589.64001,5207,74,206,0.0082033258,0.23985592,0.1,0,0,4,3.964285701514,0
92,O=C(N1CCc2[nH]c(nc2-c2c1cccc2)C)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1,0.51999998,0.47999999,Negative,Negative,0,LT01210,151171,conivaptan,2005,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O=C(N1CCc2[nH]c(nc2-c2c1cccc2)C)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=87713d73-5dcc-4158-8890-60efdbd28c05,2,79.660622,0,0,3,4,4,0,29,0,64,3,7,38,29,91.788567,1.4341964,0,0,32,0,0,26,0,4,2,0,0,1.0267067,-2.4899213,-0.6426791,0.68984658,2.5142899,-2.5839162,-0.53807992,0.76649058,2.5341806,-2.2047598,-0.47303361,0.85431087,2.8125761,34.959381,5,0.11627907,29,69,2,43,2,6,0.13953489,38,0,26.061903,20.940092,18.229168,21.363232,18.580521,12.609208,9.9903049,13.901415,0,0,0.7144931,19,0,-0.84218198,-0.38881707,0.079732276,2.7597127,-0.99367774,-0.26386139,0.16445385,2.8555422,-0.49980703,-0.21605732,0.19305076,3.0645623,28.135208,12.886858,6.2782006,18.634314,8.4317665,4.0728688,4.1347418,6,2,1,1,5.8210001,-8.9737301,14.896384,0,1,34,0,6,4,3,0,0,2.6657388,-2.6657388,0.097127944,0.12952176,71.776062,85.910667,11.190562,17.238026,0,25.899061,0,96.694183,134.80394,0,0,5.6825762,27.133842,0.27378201,0.8762297,0.55515492,0.069429316,0.1237703,0.44484511,0.054340988,417.61343,264.58832,33.090199,58.989262,212.01437,25.899061,0.47368422,0.89999998,0,0,0,0,1,0,0,0,1,0,476.60269,0,0,0,476.60269,0,10,0,6,0,0,1,6.5072899,3.1243138,45.313847,16.78553,18.439579,59.180252,18.868406,0,312.24762,0,38.839512,15.04144,47.724434,16.78553,19.909843,11.455817,35.837719,318.80255,28.957146,33.326015,78.089996,0.325683,6.4262648,3.9878411,10.178023,476.60269,697.81781,27.133842,0,0,5.6825762,372.10178,37.089626,44.181568,498.586,5138,68,208,0.29374659,0.77635628,1,4,3,5,4.274369895457999,0
93,O(C(=O)c1n(cnc1)C(C)c1ccccc1)CC,0.47999999,0.51999998,Positive,Negative,0,LT01357,36339,etomidate,1982,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O(C(=O)c1n(cnc1)C(C)c1ccccc1)CC,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=6dfd9a2a-540d-4a8e-9b92-b78e89480d39,2,39.112686,1,0,0,1,2,0,11,0,34,0,2,18,12,51.670769,1.5197284,0,0,14,0,0,16,0,2,2,0,0,1.9327837,-2.4744468,-0.51752186,0.58013141,2.4553497,-2.4068909,-0.42047277,0.67636615,2.5770762,-2.2034018,-0.38909203,0.72029507,2.7281432,23.665312,4,0.21052632,11,35,1,19,3,5,0.2631579,23,0,12.957819,10.536833,8.8259087,9.9662552,8.7363825,5.9758167,4.022491,5.1758685,1,1,0.71077561,10,0,-0.83299285,-0.37978467,0.058596417,2.4503663,-0.83403301,-0.26386139,0.13789243,2.5383499,-0.5144909,-0.18039662,0.15920657,2.7207553,14.409972,6.9632001,3.5261707,10.347971,4.8937588,2.4388311,2.8133595,4,0,1,0,2.5239999,-2.84008,7.1374159,0,1,11,1,2,4,0,0,0,1.5337631,-1.5337631,0.20338462,0.20776168,25.592316,94.468567,10.964937,0,0,0,14.708499,39.703896,61.274521,0,0,5.6825762,13.566921,2.503756,0.86418486,0.4571591,0.081027962,0.13581516,0.5428409,0.054787196,232.00424,122.73167,21.753254,36.461754,145.73433,14.708499,0.5,1,0,0,0,0,1,0,0,0,1,0,268.466,0,0,0,268.466,0,5,0,2,0,0,1,2.7646,0,26.430086,10.999887,20.926258,29.804539,0,0,122.21581,3.9819686,66.652031,6.85495,34.862103,18.684622,0,9.9242916,0,122.21581,28.671722,66.652031,44.119999,0.52150291,5.2479277,3.0152717,8.04879,268.466,343.70059,19.249496,0,0,0,195.825,42.002773,19.249496,244.29399,613,25,88,0.069506876,0.15677577,0,0,0,4,4.085454881191,0
94,O\N=C(\[C@H](NCC(CN[C@@H](\C(=N\O)\C)C)(C)C)C)/C,0.58999997,0.41,Negative,Negative,0,LT02329,9552071,exametazime,,No-DILI-Concern,0,No match,,vNo-DILI-Concern,O\N=C(\[C@H](NCC(CN[C@@H](\C(=N\O)\C)C)(C)C)C)/C,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=6ea1fd48-c649-4e05-856e-bb123ce40a3f,2,48.887791,0,0,1,3,4,0,0,2,49,2,6,19,11,69.80835,1.4246602,0,0,13,0,0,30,0,4,2,0,0,4.0475793,-2.7654665,0.023871552,0.347193,2.7856238,-3.4539976,0.076799452,0.2142,2.6575494,-2.5728571,0.096270002,0.15736417,2.9753838,32.796211,8,0.44444445,0,48,2,18,12,8,0.44444445,46,0,15.052042,13.012469,10.068914,10.223615,8.730381,6.7695346,4.4391575,4.6831746,2,2,0.67670697,12,2,-0.86813802,-0.16937447,0.025256228,2.8635902,-2.2539403,-0.17292078,0.054200001,2.7298455,-0.64056903,-0.068218507,-0.054299999,3.0235193,19,9.03125,8,17.193777,8.1248331,7.1642084,7.3524513,6,6,1,1,1.485,-0.64323002,7.6965899,0,1,2,1,0,8,1,0,0,3.6409507,-1.6409507,0.095357783,0.20810005,76.776947,56.845295,14.822693,0,20.648346,0,34.476051,112.48607,0,21.770523,0,0,22.332287,0,0.78493708,0.43477803,0.06200688,0.21506295,0.56522197,0.15305606,282.70154,156.58888,22.332287,77.456688,203.56934,55.124397,0.5,1,0,0,0,0,1,0,0,0,1,0,360.1582,0,0,0,360.1582,0,6,1,0,0,0,0.21052632,-0.38339999,36.0215,5.513495,59.172142,36.879158,0,38.799725,0,0,0,199.95609,7.7765398,0,74.821228,51.208206,7.9639373,0,0,42.392651,199.95609,98.400002,0.46811688,5.1699252,3.355056,8.1735182,360.1582,405.50638,21.770523,0,11.365152,11.365152,230.44881,13.399102,67.066727,274.409,832,24,84,0.35566834,0.011689169,0,0,0,5,4.280657529831,0
95,S1SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C1)Cc1ccc(O)cc1)Cc1ccccc1)CCC(=O)N)CC(=O)N)C(=O)N1CCCC1C(=O)NC(CCC\N=C(\N)/N)C(=O)NCC(=O)N,0.69,0.31,Negative,Negative,0,LT02331,8230,Argipressin,,No-DILI-Concern,0,No match,,vNo-DILI-Concern,S1SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C1)Cc1ccc(O)cc1)Cc1ccccc1)CCC(=O)N)CC(=O)N)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=977ab16e-c2c1-4aa2-98cb-af065b37c944,2,157.55913,0,0,3,5,12,0,12,4,142,11,23,75,36,251.12935,1.7685165,0,0,46,0,0,67,0,15,12,0,2,1.6587254,-2.6281774,-0.57914418,0.52865601,2.7431417,-3.3143015,-0.53807992,0.50705612,2.6910114,-2.3875394,-0.3566187,0.68827528,2.9985864,88.702866,20,0.25641027,12,145,12,78,7,22,0.2820513,121,0,55.190929,42.642956,27.214449,29.542513,35.606079,26.365044,13.575205,15.923384,8,8,0.8047235,26,2,-0.84331685,-0.41946083,0.085358597,3.2333236,-2.2351918,-0.42311031,0.095359236,3.1261852,-0.64073879,-0.23663588,0.19305076,3.4723663,67.504929,35.768345,24.949011,51.594521,27.233309,18.945271,18.734526,27,22,0,3,-4.0469999,-8.12675,27.736776,0,1,38,0,3,35,5,0,0,11.24139,-9.2413902,0.030739564,0.040019192,152.34291,139.52957,26.287109,115.19313,139.81949,56.044598,41.538612,72.433456,129.25769,0,0,0,162.67526,29.784571,0.59633774,0.37012735,0.18072934,0.40366226,0.62987268,0.22293292,635.04388,394.15097,192.45982,429.86252,670.75543,237.40269,0.46153846,0.85714287,0,0,0,0,1,0,0,0,1,0,1064.9064,0,0,0,1064.9064,0,14,1,4,0,0,1,-8.04076,365.62915,62.870026,294.34012,89.785866,6.37115,37.736813,0,158.78867,132.07884,65.606926,27.275949,279.2699,28.509541,158.97244,43.470329,164.48593,328.60431,149.53157,60.363499,467.16,0.18289405,7.2854023,4.4426179,12.221748,1064.9064,1349.8636,149.23613,0,58.910046,151.91554,490.96591,158.12642,314.7186,1086.267,29219,113,366,0.18037213,0.97724682,0.30000001,2,3,5,4.251450717449,0
96,Oc1ccc(cc1)CCN,0.51999998,0.47999999,Negative,Negative,0,LT02356,5610,tyramine,,No-DILI-Concern,0,No match,,vNo-DILI-Concern,Oc1ccc(cc1)CCN,http://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=81ffe61c-2b0c-4a56-b02b-8463300e218e,2,23.983517,1,1,0,0,1,0,6,1,22,1,2,10,8,31.087946,1.4130884,0,0,8,0,0,12,0,1,1,0,0,2.1695135,-2.502425,-0.64306259,0.70288157,2.5013671,-3.2896993,-0.53807992,0.80591482,2.4280355,-2.3120565,-0.49986199,0.85431087,2.7025771,11.798484,2,0.2,6,22,0,10,4,2,0.2,16,0,7.3973413,5.8779349,4.7236147,5.3973413,4.8256984,3.3985274,2.6749206,3.5412414,0,0,0.67473531,7,1,-0.86195093,-0.38182941,0.18494192,2.2292998,-2.234726,-0.26386139,0.16445385,2.2829835,-0.64170599,-0.21605732,0.19305076,2.4592509,8.1000004,4,2.6508875,6.2298064,2.9756629,1.9185718,1.8537804,2,4,1,0,0.94199997,-0.72492999,4.1826725,0,1,6,1,1,2,0,0,0,1.9376036,-0.93760359,0.17802502,0.38464674,17.232086,47.24316,0,0,10.324173,0,25.857038,26.718348,24.509808,0,0,0,0,8.8729744,0.71973836,0.37386185,0.055194747,0.28026164,0.62613815,0.2250669,115.7034,60.101131,8.8729744,45.054188,100.65646,36.181213,0.42857143,0.75,0,0,0,0,1,0,0,0,1,0,160.75758,0,0,0,160.75758,0,4,0,1,0,0,1,0.17657,58.282413,0,0,18.439579,3.185575,18.868406,0,70.572739,0,5.2434282,3.9565899,0,25.385227,32.897186,8.4290028,0,89.441139,18.439579,0,47.869999,0.72192812,4.321928,2.4925668,6.2827125,160.75758,204.80623,0,0,17.742489,17.742489,110.00904,0,31.30941,138.19,127,10,44,0.1109956,0.0058957832,0,0,0,4,4.070102870464,0