,name,state,level4,level3,level2,level1,Molecular Weight,logP,Water Solubility,logS,Bioavailability,pKa (strongest acidic),Refractivity,Number of Rings,H Bond Donor Count,Rotatable Bond Count,Polar Surface Area (PSA),pKa (strongest basic),Ghose Filter,Monoisotopic Weight,MDDR-Like Rule,Polarizability,H Bond Acceptor Count,Physiological Charge,Rule of Five
5,Bivalirudin,solid,B01AE,B01A,B01,B,2180.2853,-14.0,0.0464,-4.7,0.0,2.78,543.33,6.0,28.0,66.0,901.57,11.88,0.0,2178.985813062,1.0,218.54,37.0,-4.0,0.0
6,Leuprolide,solid,L02AE,L02A,L02,L,1209.3983,-2.4,0.0338,-4.6,0.0,9.49,327.24,6.0,16.0,32.0,429.04,11.92,0.0,1208.645462232,1.0,125.24,16.0,1.0,0.0
13,Goserelin,solid,L02AE,L02A,L02,L,1269.4105,-5.1,0.0283,-4.6,0.0,9.36,325.84,6.0,17.0,33.0,495.89,10.91,0.0,1268.641439486,1.0,130.74,18.0,1.0,0.0
25,Gramicidin D,liquid,R02AB,R02A,R02,R,1811.253,5.96,0.0039,-5.7,0.0,11.56,492.33,8.0,20.0,50.0,519.89,,0.0,1810.033419343,1.0,194.73,16.0,0.0,0.0
33,Desmopressin,solid,H01BA,H01B,H01,H,1069.22,-6.1,0.11,-4.0,0.0,9.5,279.78,4.0,14.0,19.0,435.41,11.77,0.0,1068.426955905,1.0,104.78,15.0,1.0,0.0
47,Cetrorelix,solid,H01CC,H01C,H01,H,1431.038,-1.7,0.00694,-5.3,0.0,9.5,384.16,6.0,17.0,38.0,495.67,11.79,0.0,1429.669818444,1.0,148.93,18.0,1.0,0.0
74,Daptomycin,solid,J01XX,J01X,J01,J,1620.693,-9.4,0.0173,-5.0,0.0,2.98,393.57,4.0,22.0,35.0,702.02,9.59,0.0,1619.71036644,1.0,158.96,27.0,-3.0,0.0
97,Abarelix,solid,L02BX,L02B,L02,L,1416.09,-0.46,0.00371,-5.6,0.0,9.47,373.91,6.0,13.0,38.0,424.98,10.66,0.0,1414.6840715,1.0,149.31,16.0,1.0,0.0
105,Pyridoxal phosphate,solid,A11HA,A11H,A11,A,247.1419,-2.1,5.7,-1.6,1.0,1.68,54.75,1.0,3.0,4.0,116.95,4.11,0.0,247.024573569,0.0,20.9,6.0,-2.0,1.0
106,Cyanocobalamin,solid,B03BA,B03B,B03,B,1355.3652,-3.2,0.0202,-4.8,0.0,1.82,337.48,8.0,9.0,27.0,477.85,8.68,0.0,1354.5674053,1.0,138.79,18.0,3.0,0.0
109,Ademetionine,solid,A16AA,A16A,A16,A,398.44,-5.3,1.62,-2.4,1.0,1.7,107.07,3.0,4.0,7.0,185.46,9.41,0.0,398.137239006,1.0,39.26,10.0,1.0,1.0
110,Pyruvic acid,liquid,,,,,88.0621,0.066,134.0,0.18,1.0,2.93,17.99,0.0,1.0,1.0,54.37,-9.6,0.0,88.016043994,0.0,7.31,3.0,-1.0,1.0
112,Biotin,solid,A11HA,A11H,A11,A,244.311,0.32,1.22,-2.3,1.0,4.4,60.05,2.0,3.0,5.0,78.43,-1.9,1.0,244.088163078,0.0,24.92,3.0,-1.0,1.0
114,Lysine,solid,V03AF,V03A,V03,V,146.1876,-3.2,105.0,-0.14,1.0,2.74,37.81,0.0,3.0,5.0,89.34,10.29,0.0,146.105527702,0.0,15.84,4.0,1.0,1.0
115,Arginine,solid,V03AF,V03A,V03,V,174.201,-3.2,2.28,-1.9,1.0,2.41,53.92,0.0,5.0,5.0,125.22,12.41,0.0,174.111675712,0.0,17.8,6.0,1.0,1.0
116,Ascorbic acid,solid,G01AD,G01A,G01,G,176.1241,-1.9,245.0,0.14,1.0,4.16,37.03,1.0,4.0,2.0,107.22,-3.0,0.0,176.032087988,0.0,14.93,5.0,-1.0,1.0
119,Ornithine,solid,A05BA,A05B,A05,A,132.161,-3.7,172.0,0.11,1.0,2.67,33.21,0.0,3.0,4.0,89.34,10.29,0.0,132.089877638,0.0,13.85,4.0,1.0,1.0
120,L-Glutamine,solid,A16AA,A16A,A16,A,146.1445,-4.0,97.8,-0.17,1.0,2.15,33.11,0.0,3.0,4.0,106.41,9.31,0.0,146.069142196,0.0,13.87,4.0,0.0,1.0
124,Methionine,solid,V03AB,V03A,V03,V,149.211,-2.2,23.9,-0.8,1.0,2.53,37.59,0.0,2.0,4.0,63.32,9.5,0.0,149.051049291,0.0,15.5,3.0,0.0,1.0
126,Calcitriol,solid,D05AX,D05A,D05,D,416.6365,4.35,0.00667,-4.8,1.0,14.39,126.53,3.0,3.0,6.0,60.69,-1.3,0.0,416.329045274,1.0,51.13,3.0,0.0,1.0
130,Riboflavin,solid,A11HA,A11H,A11,A,376.3639,-0.92,0.657,-2.8,1.0,5.97,96.27,3.0,5.0,5.0,155.05,-0.19,0.0,376.138284392,0.0,37.51,9.0,-1.0,1.0
132,Glutamic acid,solid,A09AB,A09A,A09,A,147.1293,-3.2,80.6,-0.26,1.0,1.88,31.29,0.0,3.0,4.0,100.62,9.54,0.0,147.053157781,0.0,13.32,5.0,-1.0,1.0
133,Glutathione,solid,V03AB,V03A,V03,V,307.323,-4.9,,,1.0,1.94,69.11,0.0,6.0,9.0,158.82,9.22,0.0,307.083805981,0.0,29.3,7.0,-1.0,0.0
135,Glycine,solid,B05CX,B05C,B05,B,75.0666,-3.4,552.0,0.87,1.0,2.31,16.0,0.0,2.0,1.0,63.32,9.24,0.0,75.032028409,0.0,6.65,3.0,0.0,1.0
136,Calcifediol,solid,A11CC,A11C,A11,A,400.6371,5.65,0.0022,-5.3,1.0,18.38,125.06,3.0,2.0,6.0,40.46,-0.98,0.0,400.334130652,1.0,50.38,2.0,0.0,0.0
140,Tryptophan,solid,N06AX,N06A,N06,N,204.2252,-1.1,1.36,-2.2,1.0,2.54,56.2,2.0,3.0,3.0,79.11,9.4,0.0,204.089877638,0.0,21.05,3.0,0.0,1.0
142,Thiamine,solid,A11DA,A11D,A11,A,265.355,-3.1,0.0153,-4.3,1.0,15.5,73.4,2.0,2.0,4.0,75.91,5.54,0.0,265.112306876,0.0,28.14,4.0,1.0,1.0
143,Ergocalciferol,solid,A11CC,A11C,A11,A,396.6484,7.05,0.000433,-6.0,1.0,18.38,128.89,3.0,1.0,5.0,20.23,-1.3,0.0,396.33921603,0.0,50.72,1.0,0.0,0.0
148,Folic acid,solid,B03AE,B03A,B03,B,441.3975,-0.69,0.0761,-3.8,0.0,3.38,111.01,3.0,6.0,9.0,208.99,2.12,0.0,441.139681375,1.0,42.06,12.0,-2.0,0.0
152,Vitamin A,solid,S01XA,S01X,S01,S,286.4516,4.69,0.00758,-4.6,1.0,16.44,97.92,1.0,1.0,5.0,20.23,-2.2,1.0,286.229665582,0.0,36.54,1.0,0.0,1.0
154,Pyridoxine,solid,J04AM,J04A,J04,J,169.1778,-0.95,16.1,-1.0,1.0,9.4,44.11,1.0,3.0,2.0,73.58,5.58,0.0,169.073893223,0.0,17.11,4.0,0.0,1.0
155,Lipoic acid,solid,A16AX,A16A,A16,A,206.326,2.11,0.224,-3.0,1.0,4.52,54.37,1.0,1.0,5.0,37.3,,1.0,206.043521072,0.0,21.74,2.0,-1.0,1.0
158,Cholecalciferol,solid,M05BB,M05B,M05,M,384.6377,7.13,0.00038,-6.0,1.0,18.38,123.22,3.0,1.0,6.0,20.23,-1.3,0.0,384.33921603,1.0,49.63,1.0,0.0,0.0
159,Menadione,solid,B02BA,B02B,B02,B,172.18,1.89,0.504,-2.5,1.0,,50.54,2.0,0.0,0.0,34.14,-7.2,1.0,172.0524295,0.0,17.64,2.0,0.0,1.0
164,Pravastatin,solid,C10AA,C10A,C10,C,424.5277,1.65,0.242,-3.2,1.0,4.21,113.6,2.0,4.0,11.0,124.29,-2.7,1.0,424.246103506,0.0,46.17,6.0,-1.0,1.0
165,Fluvoxamine,solid,N06AB,N06A,N06,N,318.34,2.8,0.00734,-4.6,1.0,,79.2,1.0,1.0,10.0,56.84,8.86,1.0,318.155512413,0.0,32.44,4.0,1.0,1.0
166,Valsartan,solid,C09DX,C09D,C09,C,435.5188,5.27,0.0234,-4.3,1.0,4.35,134.77,3.0,2.0,10.0,112.07,-0.64,0.0,435.227039819,1.0,47.27,6.0,-2.0,0.0
167,Ramipril,solid,C09BX,C09B,C09,C,416.5106,1.47,0.039,-4.0,1.0,3.75,111.19,3.0,2.0,10.0,95.94,5.2,1.0,416.231122144,1.0,44.79,5.0,-1.0,1.0
168,Masoprocol,solid,L01XX,L01X,L01,L,302.3649,4.76,0.0136,-4.4,1.0,9.21,86.62,2.0,4.0,5.0,80.92,-6.3,1.0,302.151809192,0.0,33.63,4.0,0.0,1.0
169,Flunisolide,solid,R01AD,R01A,R01,R,434.4977,1.56,0.0374,-4.1,1.0,13.73,111.89,5.0,2.0,2.0,93.06,-2.9,1.0,434.210466929,0.0,44.67,6.0,0.0,1.0
170,Baclofen,solid,M03BX,M03B,M03,M,213.661,-0.78,0.712,-2.5,1.0,3.89,54.83,1.0,2.0,4.0,63.32,9.79,0.0,213.05565634,0.0,21.13,3.0,0.0,1.0
171,Amphetamine,liquid,N06BA,N06B,N06,N,135.2062,1.8,1.74,-1.9,1.0,,43.71,1.0,1.0,2.0,26.02,10.01,0.0,135.104799421,0.0,16.17,1.0,1.0,1.0
172,Pentagastrin,solid,V04CG,V04C,V04,V,767.9,1.05,0.00261,-5.5,0.0,4.0,200.04,3.0,8.0,22.0,250.91,,0.0,767.33124736,1.0,78.01,8.0,-1.0,0.0
173,Nicotine,liquid,N07BA,N07B,N07,N,162.2316,1.16,93.3,-0.24,1.0,,49.66,2.0,0.0,1.0,16.13,8.58,1.0,162.115698458,0.0,18.59,2.0,1.0,1.0
174,Cevimeline,solid,N07AX,N07A,N07,N,199.313,1.0,2.41,-1.9,1.0,,55.92,3.0,0.0,0.0,12.47,8.59,1.0,199.103084861,0.0,21.88,2.0,1.0,1.0
175,Lorazepam,solid,N05BA,N05B,N05,N,321.158,3.53,0.0176,-4.3,1.0,10.61,82.7,3.0,2.0,1.0,61.69,-2.2,1.0,320.011932988,0.0,30.33,3.0,0.0,1.0
176,Esmolol,solid,C07AB,C07A,C07,C,295.374,1.82,0.144,-3.3,1.0,14.09,81.05,1.0,2.0,10.0,67.79,9.67,1.0,295.178358293,0.0,33.68,4.0,1.0,1.0
177,Bortezomib,solid,L01XG,L01X,L01,L,384.237,1.53,0.0532,-3.9,1.0,8.64,99.37,2.0,4.0,9.0,124.44,-0.59,1.0,384.196885774,0.0,40.65,6.0,0.0,1.0
178,Ethchlorvynol,liquid,N05CM,N05C,N05,N,144.6,1.62,0.143,-3.0,1.0,12.88,38.64,0.0,1.0,2.0,20.23,-3.7,0.0,144.0341926,0.0,14.77,1.0,0.0,1.0
180,Phentermine,solid,A08AA,A08A,A08,A,149.2328,2.08,0.757,-2.3,1.0,,48.34,1.0,1.0,2.0,26.02,10.25,0.0,149.120449485,0.0,17.87,1.0,1.0,1.0
182,Tramadol,solid,N02AJ,N02A,N02,N,263.381,2.45,0.75,-2.6,1.0,13.8,78.27,2.0,1.0,4.0,32.7,9.23,1.0,263.188529049,0.0,30.51,3.0,1.0,1.0
183,Vidarabine,solid,J05AB,J05A,J05,J,267.2413,-2.1,14.0,-1.3,1.0,12.45,63.2,3.0,4.0,2.0,139.54,3.94,0.0,267.096753929,0.0,25.2,8.0,0.0,1.0
184,Betaxolol,solid,S01ED,S01E,S01,S,307.4278,2.54,0.0298,-4.0,1.0,14.09,88.64,2.0,2.0,11.0,50.72,9.67,1.0,307.214743799,0.0,37.05,4.0,1.0,1.0
185,Fluconazole,solid,J01RA,J01R,J01,J,306.2708,0.56,1.39,-2.3,1.0,12.68,97.2,3.0,1.0,5.0,81.65,2.3,1.0,306.104065446,0.0,26.52,5.0,0.0,1.0
186,Troglitazone,solid,A10BG,A10B,A10,A,441.54,5.5,0.00121,-5.6,1.0,6.61,120.99,4.0,2.0,5.0,84.86,-4.6,1.0,441.160993669,0.0,47.27,5.0,-1.0,0.0
187,Oseltamivir,solid,J05AH,J05A,J05,J,312.4045,1.16,0.686,-2.7,1.0,14.03,84.2,1.0,2.0,8.0,90.65,9.31,1.0,312.204907394,0.0,34.64,4.0,1.0,1.0
188,Erythromycin,solid,J01FA,J01F,J01,J,733.9268,2.6,0.459,-3.2,0.0,12.45,186.04,3.0,5.0,7.0,193.91,9.0,0.0,733.461241235,1.0,78.51,13.0,1.0,0.0
190,Caffeine,solid,D11AX,D11A,D11,D,194.1906,-0.55,11.0,-1.2,1.0,,49.83,2.0,0.0,0.0,58.44,-1.2,0.0,194.080375584,0.0,18.95,3.0,0.0,1.0
191,Succinylcholine,solid,M03AB,M03A,M03,M,290.399,-8.4,0.000757,-5.7,1.0,,100.94,0.0,0.0,11.0,52.6,-6.8,0.0,290.220557458,0.0,33.15,2.0,2.0,1.0
192,Sildenafil,solid,G01AE,G01A,G01,G,474.576,1.87,0.46,-3.0,1.0,11.14,139.44,4.0,1.0,6.0,109.13,5.99,0.0,474.204924168,1.0,51.18,8.0,0.0,1.0
193,Dofetilide,solid,C01BD,C01B,C01,C,441.565,0.24,0.0198,-4.4,1.0,10.15,113.27,2.0,2.0,9.0,104.81,8.99,1.0,441.139212369,0.0,46.03,6.0,1.0,1.0
194,Pyrimethamine,solid,P01BF,P01B,P01,P,248.711,2.75,0.179,-3.1,1.0,17.22,71.54,2.0,2.0,2.0,77.82,7.77,1.0,248.082874143,0.0,25.79,4.0,1.0,1.0
195,Reserpine,solid,C02LA,C02L,C02,C,608.6787,3.53,0.0113,-4.7,1.0,16.29,161.42,6.0,1.0,10.0,117.78,7.39,0.0,608.273380888,1.0,66.06,8.0,1.0,0.0
196,Azithromycin,solid,J01RA,J01R,J01,J,748.9845,2.44,0.514,-3.2,0.0,12.43,194.11,3.0,5.0,7.0,180.08,9.57,0.0,748.508525778,1.0,82.93,13.0,2.0,0.0
197,Ticlopidine,solid,B01AC,B01A,B01,B,263.786,4.2,0.0219,-4.1,1.0,,74.33,3.0,0.0,2.0,3.24,6.94,1.0,263.05354785,0.0,27.99,1.0,0.0,1.0
198,Trospium,solid,A03DA,A03D,A03,A,392.518,-0.5,6.68e-05,-6.8,1.0,11.05,124.04,5.0,1.0,5.0,46.53,-4.5,0.0,392.22202025,0.0,43.25,2.0,1.0,1.0
199,Adapalene,solid,D10AD,D10A,D10,D,412.5201,6.46,4.01e-06,-8.0,1.0,3.99,122.07,6.0,1.0,4.0,46.53,-4.8,0.0,412.203844762,0.0,47.64,3.0,-1.0,0.0
200,Midodrine,solid,C01CA,C01C,C01,C,254.2823,-0.95,4.45,-1.8,1.0,13.77,66.22,1.0,3.0,6.0,93.81,8.14,0.0,254.126657074,0.0,26.65,5.0,1.0,1.0
201,Remikiren,solid,C09XA,C09X,C09,C,630.838,2.37,0.0213,-4.5,0.0,12.32,169.6,4.0,5.0,16.0,161.48,6.74,0.0,630.345106042,1.0,68.38,7.0,1.0,0.0
202,Pantoprazole,solid,A02BD,A02B,A02,A,383.37,2.18,0.495,-2.9,1.0,9.15,90.05,3.0,1.0,7.0,86.33,3.55,1.0,383.075133083,1.0,35.17,6.0,0.0,1.0
203,Torasemide,solid,C03CA,C03C,C03,C,348.42,1.86,0.0596,-3.8,1.0,5.92,91.89,2.0,3.0,4.0,100.19,4.2,1.0,348.125611216,0.0,36.15,5.0,-1.0,1.0
204,Citalopram,solid,N06AB,N06A,N06,N,324.3919,3.76,0.00588,-4.7,1.0,,94.02,3.0,0.0,5.0,36.26,9.78,1.0,324.163791509,0.0,35.3,3.0,1.0,1.0
205,Eletriptan,solid,N02CC,N02C,N02,N,382.519,3.77,0.00118,-5.5,1.0,16.56,110.94,4.0,1.0,6.0,53.17,8.37,1.0,382.171498776,1.0,42.99,3.0,1.0,1.0
206,Bethanidine,solid,C02CC,C02C,C02,C,177.2462,1.27,1.58,-2.0,1.0,,54.5,1.0,2.0,2.0,36.42,12.41,1.0,177.126597495,0.0,20.43,3.0,1.0,1.0
207,Moxifloxacin,solid,S01AE,S01A,S01,S,401.4314,-0.51,0.168,-3.4,1.0,5.49,106.22,5.0,2.0,4.0,82.11,9.51,0.0,401.175084476,0.0,41.24,7.0,0.0,1.0
208,Oxyphenonium,solid,A03AB,A03A,A03,A,348.4996,-0.2,0.000136,-6.4,1.0,11.53,112.61,2.0,1.0,9.0,46.53,-4.3,1.0,348.253868959,0.0,40.63,2.0,1.0,1.0
209,Nelfinavir,solid,J05AE,J05A,J05,J,567.782,4.72,0.00191,-5.5,1.0,9.32,162.67,4.0,4.0,10.0,101.9,8.18,0.0,567.313077633,1.0,63.81,5.0,1.0,0.0
211,Glimepiride,solid,A10BD,A10B,A10,A,490.62,3.12,0.0384,-4.1,1.0,4.32,129.8,3.0,3.0,6.0,124.68,-3.7,0.0,490.224991385,1.0,53.49,5.0,-1.0,1.0
212,Diflorasone,solid,D07AC,D07A,D07,D,410.4515,1.34,0.0853,-3.7,1.0,12.42,102.32,4.0,3.0,2.0,94.83,-3.3,1.0,410.190480416,0.0,40.92,5.0,0.0,1.0
213,Indinavir,solid,J05AE,J05A,J05,J,613.7895,2.81,0.0482,-4.1,0.0,13.01,175.89,5.0,4.0,12.0,118.03,6.76,0.0,613.362805017,1.0,68.94,7.0,0.0,0.0
214,Gadodiamide,solid,V08CA,V08C,V08,V,573.66,-8.7,5.21,-2.1,0.0,1.02,132.4,0.0,2.0,16.0,188.31,8.34,0.0,574.10225,0.0,40.47,11.0,-2.0,0.0
216,Lovastatin,solid,C10AA,C10A,C10,C,404.5396,3.9,0.0243,-4.2,1.0,14.91,113.18,3.0,1.0,7.0,72.83,-2.8,1.0,404.256274262,1.0,46.06,3.0,0.0,1.0
217,Enflurane,liquid,N01AB,N01A,N01,N,184.492,2.8,3.9,-1.7,1.0,,23.07,0.0,0.0,3.0,9.23,-5.0,0.0,183.971433418,0.0,9.74,1.0,0.0,1.0
218,Cefotiam,solid,J01DC,J01D,J01,J,525.628,-3.1,1.29,-2.6,1.0,2.6,142.34,4.0,3.0,10.0,172.46,8.34,0.0,525.103512339,1.0,49.87,10.0,0.0,0.0
219,Pregabalin,solid,N03AX,N03A,N03,N,159.2261,-1.3,11.3,-1.2,1.0,4.8,43.68,0.0,2.0,5.0,63.32,10.23,0.0,159.125928793,0.0,18.08,3.0,0.0,1.0
220,Temazepam,solid,N05CD,N05C,N05,N,300.74,2.79,0.0534,-3.8,1.0,10.68,81.01,3.0,1.0,1.0,52.9,-1.4,1.0,300.066555377,0.0,30.32,3.0,0.0,1.0
221,Methyclothiazide,solid,C03AA,C03A,C03,C,360.237,0.53,0.824,-2.6,1.0,9.29,77.28,2.0,2.0,2.0,109.57,-3.4,1.0,358.956802649,0.0,31.65,5.0,0.0,1.0
222,Aminosalicylic acid,solid,J04AA,J04A,J04,J,153.1354,0.83,11.8,-1.1,1.0,3.68,40.0,1.0,3.0,1.0,83.55,2.19,0.0,153.042593095,0.0,14.29,4.0,-1.0,1.0
223,Reboxetine,solid,N06AX,N06A,N06,N,313.397,3.28,0.0223,-4.2,1.0,,89.48,3.0,1.0,6.0,39.72,7.91,1.0,313.167793605,1.0,34.49,4.0,1.0,1.0
224,Milrinone,solid,C01CE,C01C,C01,C,211.2194,0.33,0.209,-3.0,1.0,7.54,61.14,2.0,1.0,1.0,65.78,4.82,1.0,211.074561925,0.0,21.45,3.0,0.0,1.0
225,Pipobroman,solid,L01AX,L01A,L01,L,356.054,0.41,2.24,-2.2,1.0,,69.45,1.0,0.0,4.0,40.62,-1.3,1.0,353.95785306,0.0,28.44,2.0,0.0,1.0
226,Butabarbital,solid,N05CB,N05C,N05,N,212.2456,1.45,1.39,-2.2,1.0,7.48,53.4,1.0,2.0,3.0,75.27,,1.0,212.116092388,0.0,21.41,3.0,0.0,1.0
227,Nevirapine,solid,J05AG,J05A,J05,J,266.2979,2.49,0.105,-3.4,1.0,14.98,77.48,4.0,1.0,1.0,58.12,3.28,1.0,266.11676109,0.0,27.8,4.0,0.0,1.0
228,Oxiconazole,solid,D01AC,D01A,D01,D,429.12,5.84,0.00191,-5.4,1.0,,105.95,3.0,0.0,6.0,39.41,6.74,0.0,426.9812729,1.0,40.79,3.0,1.0,0.0
229,Alclometasone,solid,D07AB,D07A,D07,D,408.916,1.68,0.137,-3.5,1.0,12.45,107.61,4.0,3.0,2.0,94.83,-2.9,1.0,408.170351745,0.0,42.88,5.0,0.0,1.0
230,Butalbital,solid,N05CB,N05C,N05,N,224.2563,1.59,2.23,-2.0,1.0,7.48,58.05,1.0,2.0,4.0,75.27,,1.0,224.116092388,0.0,22.43,3.0,0.0,1.0
231,Cladribine,solid,L04AA,L04A,L04,L,285.687,-0.28,6.35,-1.6,1.0,13.89,67.18,3.0,3.0,2.0,119.31,2.22,1.0,285.062866982,0.0,26.85,7.0,0.0,1.0
232,Ranolazine,solid,C01EB,C01E,C01,C,427.5365,2.83,0.11,-3.6,1.0,13.6,123.46,3.0,2.0,9.0,74.27,6.77,1.0,427.247106559,1.0,47.22,6.0,0.0,1.0
233,Mesalazine,solid,A07EC,A07E,A07,A,153.1354,-0.29,12.2,-1.1,1.0,2.02,40.0,1.0,3.0,1.0,83.55,5.87,0.0,153.042593095,0.0,14.26,4.0,-1.0,1.0
234,Benzatropine,solid,N04AC,N04A,N04,N,307.4293,4.19,0.00121,-5.4,1.0,,94.24,4.0,0.0,4.0,12.47,9.54,1.0,307.193614427,0.0,35.42,2.0,1.0,1.0
235,Ziprasidone,solid,N05AE,N05A,N05,N,412.936,4.3,0.00718,-4.8,1.0,12.21,116.72,5.0,1.0,4.0,48.47,7.09,1.0,412.112459711,0.0,44.96,4.0,0.0,1.0
236,Methysergide,solid,N02CA,N02C,N02,N,353.458,1.82,0.224,-3.2,1.0,15.0,104.47,4.0,2.0,4.0,57.5,7.83,1.0,353.210327123,0.0,40.41,3.0,1.0,1.0
237,Cabergoline,solid,N04BC,N04B,N04,N,451.6043,2.58,0.064,-3.8,1.0,15.25,133.5,4.0,2.0,8.0,71.68,9.32,0.0,451.294725453,1.0,52.5,4.0,2.0,1.0
238,Idoxuridine,solid,D06BB,D06B,D06,D,354.0985,-0.53,23.4,-1.2,1.0,8.46,64.4,2.0,3.0,2.0,99.1,-3.0,0.0,353.971264892,0.0,26.17,5.0,0.0,1.0
239,Dapsone,solid,D10AX,D10A,D10,D,248.301,1.27,0.284,-2.9,1.0,,68.99,2.0,2.0,2.0,86.18,2.39,1.0,248.061948328,0.0,25.05,4.0,0.0,1.0
240,Terconazole,solid,G01AG,G01A,G01,G,532.47,5.37,0.0116,-4.7,0.0,,153.19,5.0,0.0,8.0,64.88,8.41,0.0,531.1803953,1.0,56.59,7.0,1.0,0.0
241,Phenytoin,solid,N03AB,N03A,N03,N,252.268,2.15,0.0711,-3.6,1.0,8.49,70.18,3.0,2.0,2.0,58.2,-9.0,1.0,252.089877638,0.0,25.48,2.0,0.0,1.0
242,Medrysone,solid,S01BA,S01B,S01,S,344.4877,3.13,0.0337,-4.0,1.0,18.37,98.85,4.0,1.0,1.0,54.37,-0.26,1.0,344.23514489,0.0,39.94,3.0,0.0,1.0
243,Doxycycline,solid,J01AA,J01A,J01,J,444.4346,-3.3,0.63,-2.8,1.0,3.27,113.89,4.0,6.0,2.0,181.62,8.33,0.0,444.153265754,0.0,43.65,9.0,0.0,0.0
244,Diethylstilbestrol,solid,L02AA,L02A,L02,L,268.356,5.19,0.0109,-4.4,1.0,8.63,83.24,2.0,2.0,4.0,40.46,-6.5,1.0,268.146329884,0.0,30.69,2.0,0.0,0.0
245,Lymecycline,solid,J01AA,J01A,J01,J,602.6328,-7.1,1.31,-2.7,0.0,2.51,154.51,4.0,9.0,10.0,242.98,9.77,0.0,602.258793456,1.0,62.48,13.0,1.0,0.0
246,Clotrimazole,solid,D01AC,D01A,D01,D,344.837,5.84,0.00147,-5.4,1.0,,103.76,4.0,0.0,4.0,17.82,6.26,0.0,344.108026261,0.0,36.25,1.0,0.0,0.0
247,Calcium acetate,solid,V03AE,V03A,V03,V,158.166,-0.22,147.0,-0.03,1.0,4.54,23.48,0.0,0.0,0.0,40.13,,0.0,157.989199835,0.0,4.96,2.0,-1.0,1.0
248,Sulfanilamide,solid,G01AE,G01A,G01,G,172.205,-0.25,10.4,-1.2,1.0,10.99,42.92,1.0,2.0,1.0,86.18,2.27,0.0,172.0306482,0.0,16.25,3.0,0.0,1.0
249,Cycloserine,solid,J04AB,J04A,J04,J,102.0919,-2.4,877.0,0.93,1.0,4.21,21.85,1.0,2.0,0.0,64.35,8.36,0.0,102.042927446,0.0,8.87,3.0,0.0,1.0
250,Anagrelide,solid,L01XX,L01X,L01,L,256.088,1.94,0.279,-3.0,1.0,11.25,63.25,3.0,1.0,0.0,44.7,3.62,1.0,254.996617275,0.0,23.61,3.0,0.0,1.0
251,Carmustine,solid,L01AD,L01A,L01,L,214.05,1.02,1.53,-2.2,1.0,13.36,46.98,0.0,1.0,5.0,61.77,-5.3,1.0,213.007181961,0.0,18.8,2.0,0.0,1.0
252,Sulfisoxazole,solid,J01EB,J01E,J01,J,267.304,0.73,0.313,-2.9,1.0,5.8,67.92,2.0,2.0,2.0,98.22,2.17,1.0,267.067761987,0.0,26.93,4.0,-1.0,1.0
253,Metoprolol,solid,C07FB,C07F,C07,C,267.3639,1.76,0.402,-2.8,1.0,14.09,76.7,1.0,2.0,9.0,50.72,9.67,1.0,267.183443671,0.0,31.9,4.0,1.0,1.0
255,Dicoumarol,solid,B01AA,B01A,B01,B,336.295,1.94,0.0662,-3.7,1.0,4.66,89.19,4.0,2.0,2.0,93.06,-6.8,1.0,336.063388116,0.0,32.32,4.0,-2.0,1.0
256,Cefmenoxime,solid,J01DD,J01D,J01,J,511.558,-0.93,0.446,-3.1,0.0,2.62,133.51,4.0,3.0,8.0,190.81,3.53,0.0,511.051476769,1.0,47.05,11.0,-1.0,0.0
257,Ropinirole,solid,N04BC,N04B,N04,N,260.3746,3.06,0.353,-2.9,1.0,12.27,81.43,2.0,1.0,7.0,32.34,10.17,1.0,260.1888634,0.0,31.19,2.0,1.0,1.0
258,Chlorotrianisene,solid,G03CA,G03C,G03,G,380.864,5.43,0.000199,-6.3,1.0,,119.17,3.0,0.0,6.0,27.69,-4.4,1.0,380.117922245,1.0,40.68,3.0,0.0,0.0
259,Isradipine,solid,C08CA,C08C,C08,C,371.3871,2.0,0.228,-3.2,1.0,16.95,100.08,3.0,1.0,6.0,103.55,-3.3,1.0,371.148120797,1.0,37.34,5.0,0.0,1.0
260,Diatrizoate,solid,V08AA,V08A,V08,V,613.9136,2.89,0.107,-3.8,1.0,2.17,103.13,1.0,3.0,3.0,95.5,-4.2,0.0,613.769637046,0.0,38.43,4.0,-1.0,0.0
261,Betazole,liquid,V04CG,V04C,V04,V,111.1451,-0.62,156.0,0.15,1.0,14.52,32.96,1.0,2.0,2.0,54.7,9.79,0.0,111.079647303,0.0,11.96,2.0,1.0,1.0
262,Topiramate,solid,N03AX,N03A,N03,N,339.362,0.13,6.8,-1.7,1.0,11.09,72.3,3.0,1.0,3.0,115.54,-3.7,1.0,339.098787343,0.0,32.4,8.0,0.0,1.0
263,Cefmetazole,solid,J01DC,J01D,J01,J,471.534,-0.65,2.16,-2.3,1.0,3.18,124.57,3.0,2.0,9.0,163.33,-1.7,0.0,471.045328759,1.0,44.5,9.0,-1.0,1.0
264,Olmesartan,solid,C09DA,C09D,C09,C,446.5016,2.16,0.0105,-4.6,1.0,0.89,137.32,4.0,3.0,8.0,129.81,5.33,0.0,446.206638728,1.0,47.52,7.0,-2.0,1.0
265,Amsacrine,solid,L01XX,L01X,L01,L,393.459,3.16,0.00317,-5.1,1.0,10.82,107.69,4.0,2.0,4.0,80.32,8.44,1.0,393.114712179,0.0,41.65,5.0,1.0,1.0
266,Theophylline,solid,R03DA,R03D,R03,R,180.164,-0.77,22.9,-0.9,1.0,7.82,44.93,2.0,1.0,0.0,69.3,-0.78,0.0,180.06472552,0.0,16.86,3.0,0.0,1.0
267,Argatroban,solid,B01AE,B01A,B01,B,508.64,-0.92,0.168,-3.5,0.0,3.06,143.83,3.0,6.0,8.0,177.71,11.8,0.0,508.246789457,1.0,53.77,9.0,0.0,0.0
268,Liothyronine,solid,H03AA,H03A,H03,H,650.9735,2.8,0.0195,-4.5,1.0,0.3,113.43,2.0,3.0,5.0,92.78,9.48,0.0,650.790038137,0.0,43.92,4.0,0.0,0.0
269,Disopyramide,solid,C01BA,C01B,C01,C,339.4745,3.47,0.0493,-3.8,1.0,16.19,102.3,2.0,1.0,8.0,59.22,10.42,1.0,339.231062565,0.0,38.82,3.0,1.0,1.0
270,Lidocaine,solid,S01HA,S01H,S01,S,234.3373,2.84,0.593,-2.6,1.0,13.78,73.93,1.0,1.0,5.0,32.34,7.75,1.0,234.173213336,0.0,27.77,2.0,1.0,1.0
271,Pamidronic acid,solid,M05BA,M05B,M05,M,235.0695,-4.5,15.8,-1.2,1.0,0.67,42.62,0.0,6.0,4.0,161.31,9.86,0.0,235.001074735,0.0,17.34,8.0,-2.0,0.0
272,Clemastine,solid,D04AA,D04A,D04,D,343.89,4.92,0.000405,-5.9,1.0,,101.65,3.0,0.0,6.0,12.47,9.55,1.0,343.170292166,1.0,39.06,2.0,1.0,1.0
273,Acarbose,solid,A10BD,A10B,A10,A,645.608,-8.3,108.0,-0.78,0.0,11.83,139.02,3.0,14.0,13.0,329.01,7.03,0.0,645.248013549,1.0,60.87,19.0,1.0,0.0
274,Venlafaxine,solid,N06AX,N06A,N06,N,277.4018,2.74,0.23,-3.1,1.0,14.42,83.02,2.0,1.0,5.0,32.7,8.91,1.0,277.204179113,0.0,32.33,3.0,1.0,1.0
276,Travoprost,liquid,S01EE,S01E,S01,S,500.5477,3.84,0.00759,-4.8,0.0,13.95,127.86,2.0,3.0,14.0,96.22,-2.9,0.0,500.238573467,0.0,50.93,5.0,0.0,0.0
277,Amcinonide,solid,D07AC,D07A,D07,D,502.5717,3.2,0.00774,-4.8,1.0,13.63,127.88,6.0,1.0,4.0,99.13,-3.4,0.0,502.236681679,0.0,52.38,6.0,0.0,0.0
278,Atomoxetine,solid,N06BA,N06B,N06,N,255.3547,3.81,0.0039,-4.8,1.0,,79.44,2.0,1.0,6.0,21.26,9.8,1.0,255.162314299,0.0,29.75,2.0,1.0,1.0
279,Bleomycin,solid,L01DC,L01D,L01,L,1415.552,-9.3,0.0277,-4.7,0.0,11.39,343.83,6.0,20.0,36.0,627.07,7.65,0.0,1414.518979905,1.0,139.19,28.0,2.0,0.0
280,Chlorambucil,solid,L01AA,L01A,L01,L,304.212,3.94,0.0773,-3.6,1.0,4.46,79.68,1.0,1.0,9.0,40.54,1.72,1.0,303.079284271,0.0,31.98,3.0,-1.0,1.0
281,Etomidate,solid,N01AX,N01A,N01,N,244.289,2.5,0.477,-2.7,1.0,,69.59,2.0,0.0,5.0,44.12,4.25,1.0,244.121177766,0.0,26.43,2.0,0.0,1.0
282,Raltitrexed,solid,L01BA,L01B,L01,L,458.488,1.97,0.0181,-4.4,1.0,3.72,117.39,3.0,4.0,9.0,148.4,1.24,1.0,458.126005146,1.0,45.55,9.0,-2.0,1.0
283,Etonogestrel,solid,G03AC,G03A,G03,G,324.4565,3.6,0.00737,-4.6,1.0,17.99,96.35,4.0,1.0,1.0,37.3,-1.5,1.0,324.20893014,0.0,37.83,2.0,0.0,1.0
284,Morphine,solid,A07DA,A07D,A07,A,285.3377,0.9,10.2,-1.4,1.0,10.26,80.12,5.0,2.0,0.0,52.93,9.12,1.0,285.136493479,0.0,29.94,4.0,1.0,1.0
285,Ropivacaine,solid,N01BB,N01B,N01,N,274.4011,4.07,53.8,,1.0,13.62,85.59,2.0,1.0,4.0,32.34,7.82,1.0,274.204513464,0.0,32.67,2.0,1.0,1.0
286,Bupivacaine,solid,N01BB,N01B,N01,N,288.4277,4.52,0.0977,-3.5,1.0,13.62,90.19,2.0,1.0,5.0,32.34,8.0,1.0,288.220163528,0.0,34.2,2.0,1.0,1.0
287,Dapiprazole,solid,S01EX,S01E,S01,S,325.4512,2.42,0.751,-2.6,1.0,,100.22,4.0,0.0,4.0,37.19,7.64,1.0,325.226645889,0.0,38.23,4.0,1.0,1.0
288,Penciclovir,solid,D06BB,D06B,D06,D,253.2578,-1.5,7.45,-1.5,1.0,12.0,64.59,2.0,4.0,5.0,125.76,2.88,0.0,253.117489371,0.0,25.11,7.0,0.0,1.0
289,Tenofovir disoproxil,solid,J05AR,J05A,J05,J,519.448,2.65,0.712,-2.9,0.0,18.59,118.59,2.0,1.0,17.0,185.44,4.13,0.0,519.173029184,0.0,49.18,10.0,0.0,0.0
290,Flucloxacillin,solid,J01CR,J01C,J01,J,453.872,2.44,0.0545,-3.9,1.0,3.75,106.85,4.0,2.0,3.0,112.74,-0.93,1.0,453.056147271,0.0,41.69,5.0,-1.0,1.0
291,Tranexamic acid,solid,B02AA,B02A,B02,B,157.2102,-1.6,18.2,-0.94,1.0,4.56,41.9,1.0,2.0,2.0,63.32,10.22,0.0,157.110278729,0.0,17.28,3.0,0.0,1.0
292,Ertapenem,solid,J01DH,J01D,J01,J,475.515,-3.2,0.286,-3.2,1.0,3.22,121.8,4.0,5.0,7.0,156.27,9.03,0.0,475.141320859,1.0,48.77,8.0,-1.0,1.0
293,Desogestrel,solid,G03AC,G03A,G03,G,310.473,4.42,0.00301,-5.0,1.0,17.99,95.73,4.0,1.0,1.0,20.23,-1.5,1.0,310.229665582,0.0,37.51,1.0,0.0,1.0
294,Mitomycin,solid,L01DC,L01D,L01,L,334.3272,-1.0,10.1,-1.5,1.0,14.97,83.27,4.0,3.0,4.0,146.89,5.76,0.0,334.127719706,0.0,32.77,7.0,0.0,1.0
295,Talbutal,solid,N05CA,N05C,N05,N,224.2563,1.59,2.46,-2.0,1.0,7.48,58.05,1.0,2.0,4.0,75.27,,1.0,224.116092388,0.0,22.48,3.0,0.0,1.0
296,Bexarotene,solid,L01XF,L01X,L01,L,348.4779,6.94,0.000149,-6.4,1.0,4.07,117.12,3.0,1.0,3.0,37.3,,0.0,348.20893014,0.0,41.06,2.0,-1.0,0.0
297,Ibutilide,solid,C01BD,C01B,C01,C,384.576,2.54,0.00473,-4.9,1.0,9.72,109.18,1.0,2.0,13.0,69.64,10.4,1.0,384.244663718,0.0,46.45,4.0,1.0,1.0
298,Vindesine,solid,L01CA,L01C,L01,L,753.941,2.79,0.07,-4.0,1.0,11.34,210.32,9.0,5.0,7.0,164.82,8.68,0.0,753.410149131,1.0,81.39,9.0,2.0,0.0
299,Chlorthalidone,solid,G01AE,G01A,G01,G,338.766,1.6,0.0528,-3.8,1.0,8.76,81.3,3.0,3.0,2.0,109.49,-2.6,1.0,338.012805247,0.0,31.29,4.0,0.0,1.0
301,Pentobarbital,solid,N05CB,N05C,N05,N,226.2722,1.89,0.864,-2.4,1.0,7.48,58.0,1.0,2.0,4.0,75.27,,1.0,226.131742452,0.0,23.41,3.0,0.0,1.0
302,Valproic acid,solid,N03AG,N03A,N03,N,144.2114,2.8,2.36,-1.8,1.0,5.14,40.25,0.0,1.0,5.0,37.3,,0.0,144.115029756,0.0,17.0,2.0,-1.0,1.0
303,Capreomycin,solid,J04AB,J04A,J04,J,1321.4123,-11.0,1.48,-2.6,0.0,10.62,162.2,4.0,14.0,19.0,378.42,10.3,0.0,1320.698394286,1.0,65.97,14.0,3.0,0.0
304,Zolmitriptan,solid,N02CC,N02C,N02,N,287.3568,2.04,0.19,-3.2,1.0,13.0,82.44,3.0,2.0,5.0,57.36,9.55,1.0,287.163376931,0.0,31.65,2.0,1.0,1.0
305,Acetaminophen,solid,N02BE,N02B,N02,N,151.1626,0.91,4.15,-1.6,1.0,9.46,42.9,1.0,2.0,1.0,49.33,-4.4,0.0,151.063328537,0.0,15.52,2.0,0.0,1.0
306,Gefitinib,solid,L01EB,L01E,L01,L,446.902,3.75,0.027,-4.2,1.0,16.11,117.51,4.0,1.0,8.0,68.74,6.85,1.0,446.152096566,1.0,46.11,7.0,0.0,1.0
307,Codeine,solid,N02AA,N02A,N02,N,299.3642,1.34,0.577,-2.7,1.0,13.78,84.6,5.0,1.0,1.0,41.93,9.19,1.0,299.152143543,0.0,31.95,4.0,1.0,1.0
308,Piperacillin,solid,J01CR,J01C,J01,J,517.555,-0.26,0.119,-3.6,1.0,3.49,126.3,4.0,3.0,6.0,156.43,-4.3,0.0,517.163118933,1.0,51.77,7.0,-1.0,0.0
309,Dihydroergotamine,solid,N02CA,N02C,N02,N,583.6774,2.71,0.229,-3.4,1.0,9.71,159.39,8.0,3.0,4.0,118.21,8.39,0.0,583.279469319,0.0,63.55,6.0,1.0,0.0
310,Amitriptyline,solid,N06AA,N06A,N06,N,277.4033,4.81,0.0045,-4.8,1.0,,101.51,3.0,0.0,3.0,3.24,9.76,1.0,277.183049741,0.0,33.74,1.0,1.0,1.0
311,Floxuridine,solid,L01BC,L01B,L01,L,246.1924,-1.3,40.8,-0.78,1.0,8.08,51.26,2.0,3.0,2.0,99.1,-3.0,0.0,246.065199677,0.0,20.95,5.0,0.0,1.0
312,Tolcapone,solid,N04BX,N04B,N04,N,273.2408,3.28,0.0569,-3.7,1.0,5.59,71.96,2.0,2.0,3.0,100.67,-6.5,1.0,273.063722467,0.0,26.89,5.0,-1.0,1.0
313,Fluorometholone,solid,D07XB,D07X,D07,D,376.4617,2.42,0.0166,-4.4,1.0,12.65,100.87,4.0,2.0,1.0,74.6,-3.4,1.0,376.204987621,0.0,39.94,4.0,0.0,1.0
315,Calcium glucoheptonate,solid,A12AA,A12A,A12,A,490.425,-4.0,39.8,-1.1,0.0,3.38,55.07,0.0,6.0,12.0,161.51,-3.0,0.0,490.084675939,0.0,19.34,8.0,-1.0,0.0
316,Hydromorphone,solid,N02AA,N02A,N02,N,285.3377,1.47,4.39,-1.8,1.0,10.17,78.26,5.0,1.0,0.0,49.77,9.08,1.0,285.136493479,0.0,30.02,4.0,1.0,1.0
317,Indomethacin,solid,S01CC,S01C,S01,S,357.788,3.53,0.0024,-5.2,1.0,3.79,94.81,3.0,1.0,4.0,68.53,-2.9,1.0,357.076785712,0.0,36.64,4.0,-1.0,1.0
318,Ethambutol,solid,J04AK,J04A,J04,J,204.3098,-0.059,1000.0,,1.0,14.82,57.89,0.0,4.0,9.0,64.52,9.55,1.0,204.183778022,0.0,24.47,4.0,1.0,1.0
319,Metformin,solid,A10BD,A10B,A10,A,129.1636,-0.92,1.38,-2.0,1.0,,56.64,0.0,4.0,0.0,88.99,12.33,0.0,129.101445377,0.0,13.43,5.0,2.0,1.0
320,Ipratropium,solid,R03BB,R03B,R03,R,332.463,-1.8,0.00122,-5.5,1.0,15.15,105.9,3.0,1.0,6.0,46.53,-2.7,0.0,332.22202025,1.0,37.57,2.0,1.0,1.0
321,Methadone,solid,N07BC,N07B,N07,N,309.4452,5.01,0.0059,-4.7,1.0,19.79,97.27,2.0,0.0,7.0,20.31,9.12,1.0,309.209264491,0.0,36.28,2.0,1.0,0.0
322,Olanzapine,solid,N05AH,N05A,N05,N,312.432,3.39,0.0942,-3.5,1.0,15.67,93.87,4.0,1.0,0.0,30.87,7.24,1.0,312.14086735,0.0,35.35,4.0,1.0,1.0
323,Atenolol,solid,C07CB,C07C,C07,C,266.3361,0.43,0.429,-2.8,1.0,14.08,73.51,1.0,3.0,8.0,84.58,9.67,1.0,266.16304258,0.0,29.98,4.0,1.0,1.0
324,Nitrofural,solid,B05CA,B05C,B05,B,198.1362,-0.14,0.268,-2.9,1.0,11.79,44.21,1.0,2.0,3.0,123.76,-2.0,1.0,198.0389047,0.0,16.97,4.0,0.0,1.0
325,Pimecrolimus,solid,D11AH,D11A,D11,D,810.46,6.81,0.00152,-5.7,0.0,9.96,214.03,4.0,2.0,6.0,158.13,-2.9,0.0,809.4480897,1.0,87.79,10.0,0.0,0.0
326,Omeprazole,solid,A02BC,A02B,A02,A,345.416,2.43,0.359,-3.0,1.0,9.29,93.66,3.0,1.0,5.0,77.1,4.77,1.0,345.114712179,0.0,37.45,5.0,0.0,1.0
327,Pyrazinamide,solid,J04AK,J04A,J04,J,123.1127,-1.2,93.7,-0.12,1.0,13.06,30.45,1.0,1.0,1.0,68.87,-0.55,0.0,123.043261797,0.0,11.13,3.0,0.0,1.0
328,Metixene,liquid,N04AA,N04A,N04,N,309.468,5.06,0.000102,-6.5,1.0,,97.17,4.0,0.0,2.0,3.24,9.34,1.0,309.155120431,0.0,35.65,1.0,1.0,0.0
329,Cetirizine,solid,S01GX,S01G,S01,S,388.888,0.87,0.0658,-3.8,1.0,3.59,106.87,3.0,1.0,8.0,53.01,7.42,1.0,388.155370383,1.0,41.84,5.0,0.0,1.0
330,Terfenadine,solid,R06AX,R06A,R06,R,471.6734,6.48,0.000458,-6.0,1.0,13.2,146.27,4.0,2.0,9.0,43.7,9.02,0.0,471.313729561,1.0,56.45,3.0,1.0,0.0
331,Diltiazem,solid,C08DB,C08D,C08,C,414.518,2.73,465.0,,1.0,12.86,114.37,3.0,0.0,7.0,59.08,8.18,1.0,414.16132802,1.0,43.68,4.0,1.0,1.0
332,Protriptyline,solid,N06AA,N06A,N06,N,263.3767,4.5,0.000231,-6.1,1.0,,87.3,3.0,1.0,4.0,12.03,10.54,1.0,263.167399677,0.0,31.6,1.0,1.0,1.0
333,Aminohippuric acid,solid,V04CH,V04C,V04,V,194.1873,-1.0,3.13,-1.8,1.0,2.7,50.82,1.0,3.0,3.0,92.42,4.24,0.0,194.069142196,0.0,19.13,4.0,-1.0,1.0
334,Alfuzosin,solid,G04CA,G04C,G04,G,389.4488,1.19,0.282,-3.1,1.0,14.64,107.11,3.0,2.0,8.0,111.83,7.3,1.0,389.206304377,1.0,42.71,8.0,1.0,1.0
335,Trimethadione,solid,N03AC,N03A,N03,N,143.1406,0.5,212.0,0.17,1.0,,33.2,1.0,0.0,0.0,46.61,,0.0,143.058243159,0.0,13.59,2.0,0.0,1.0
336,Nitisinone,solid,A16AX,A16A,A16,A,329.2281,3.13,0.00811,-4.6,1.0,7.44,71.34,2.0,0.0,4.0,94.35,-7.3,1.0,329.05110705,0.0,26.76,5.0,0.0,1.0
337,Clobazam,solid,N05BA,N05B,N05,N,300.74,2.55,0.164,-3.3,1.0,5.82,80.3,3.0,0.0,1.0,40.62,-6.7,1.0,300.066555377,0.0,30.07,2.0,-1.0,1.0
338,Minoxidil,solid,D11AX,D11A,D11,D,209.2483,0.00079,19.9,-1.0,1.0,17.62,60.42,2.0,2.0,1.0,95.11,1.69,1.0,209.127660127,0.0,21.97,5.0,0.0,1.0
339,Megestrol acetate,solid,G03FB,G03F,G03,G,384.516,3.72,0.00336,-5.1,1.0,17.83,108.66,4.0,0.0,3.0,60.44,-4.9,1.0,384.23005951,0.0,43.51,3.0,0.0,1.0
340,Tioguanine,solid,L01BB,L01B,L01,L,167.192,-0.35,0.834,-2.3,1.0,10.81,46.89,2.0,3.0,0.0,79.09,4.54,0.0,167.026565875,0.0,15.65,4.0,0.0,1.0
341,Methylergometrine,solid,G02AC,G02A,G02,G,339.4314,1.59,0.204,-3.2,1.0,15.0,99.58,4.0,3.0,4.0,68.36,7.93,1.0,339.194677059,0.0,38.73,3.0,1.0,1.0
342,Buclizine,liquid,R06AE,R06A,R06,R,433.028,7.42,0.000246,-6.2,1.0,,133.02,4.0,0.0,6.0,6.48,7.6,0.0,432.233226773,1.0,50.94,2.0,1.0,0.0
343,Aztreonam,solid,J01DF,J01D,J01,J,435.433,-3.1,0.0429,-4.1,1.0,-1.5,102.09,2.0,3.0,6.0,206.03,3.91,0.0,435.051853925,0.0,39.95,10.0,-2.0,1.0
344,Chlorzoxazone,solid,M03BB,M03B,M03,M,169.565,1.94,2.96,-1.8,1.0,9.39,41.07,2.0,1.0,0.0,38.33,-2.2,0.0,168.993056084,0.0,14.94,2.0,0.0,1.0
345,Aminoglutethimide,solid,L02BG,L02B,L02,L,232.2783,1.3,0.371,-2.8,1.0,11.69,65.35,2.0,2.0,2.0,72.19,4.28,1.0,232.121177766,0.0,24.69,3.0,0.0,1.0
346,Mefloquine,solid,P01BF,P01B,P01,P,378.3122,4.11,0.038,-4.0,1.0,13.79,82.58,3.0,2.0,4.0,45.15,9.46,1.0,378.116682374,0.0,31.73,3.0,1.0,1.0
347,Sulfadiazine,solid,J01EE,J01E,J01,J,250.277,0.39,0.601,-2.6,1.0,6.99,64.2,2.0,2.0,2.0,97.97,2.01,1.0,250.052446274,0.0,24.34,5.0,-1.0,1.0
348,Sapropterin,solid,A16AX,A16A,A16,A,241.2471,-2.3,2.03,-2.1,1.0,7.82,68.63,2.0,6.0,2.0,132.0,0.82,0.0,241.117489371,0.0,23.61,7.0,0.0,0.0
349,Vinorelbine,solid,L01CA,L01C,L01,L,778.947,4.65,0.0122,-4.8,1.0,10.87,216.99,9.0,2.0,10.0,133.87,8.66,0.0,778.394164715,1.0,84.31,8.0,2.0,0.0
350,Anidulafungin,solid,J02AX,J02A,J02,J,1140.2369,-1.5,0.0564,-4.3,0.0,9.46,292.29,7.0,14.0,14.0,377.42,-3.5,0.0,1139.506293945,1.0,122.78,17.0,0.0,0.0
351,Clozapine,solid,N05AH,N05A,N05,N,326.823,3.4,0.186,-3.2,1.0,15.9,97.36,4.0,1.0,0.0,30.87,7.35,1.0,326.129824335,0.0,35.75,4.0,1.0,1.0
352,Sucralfate,solid,A02BX,A02B,A02,A,1558.67,-5.9,0.774,-3.3,0.0,13.53,180.03,2.0,16.0,37.0,772.17,-3.0,0.0,1557.6045961,0.0,107.19,35.0,0.0,0.0
353,Grepafloxacin,solid,J01MA,J01M,J01,J,359.3947,0.068,0.632,-2.8,1.0,5.68,97.4,4.0,2.0,3.0,72.88,8.86,1.0,359.16451979,0.0,37.86,6.0,0.0,1.0
354,Doxylamine,liquid,R06AA,R06A,R06,R,270.3694,2.96,0.541,-2.7,1.0,,82.24,2.0,0.0,6.0,25.36,8.87,1.0,270.173213336,0.0,31.09,3.0,1.0,1.0
355,Levonorgestrel,solid,G03AB,G03A,G03,G,312.4458,3.66,0.00583,-4.7,1.0,17.91,92.03,4.0,1.0,1.0,37.3,-1.5,1.0,312.20893014,0.0,36.75,2.0,0.0,1.0
356,Norepinephrine,solid,C01CA,C01C,C01,C,169.1778,-0.68,12.5,-1.1,1.0,9.5,44.46,1.0,4.0,2.0,86.71,8.85,0.0,169.073893223,0.0,16.96,4.0,1.0,1.0
357,Cidofovir,solid,J05AB,J05A,J05,J,279.187,-2.4,11.5,-1.4,1.0,1.26,60.43,1.0,4.0,6.0,145.68,4.71,0.0,279.062021707,0.0,24.44,8.0,-1.0,1.0
358,Mirtazapine,solid,N06AX,N06A,N06,N,265.3529,3.21,1.1,-2.4,1.0,,82.66,4.0,0.0,0.0,19.37,6.67,1.0,265.157897623,0.0,30.4,3.0,0.0,1.0
359,Meprobamate,solid,N05BC,N05B,N05,N,218.2502,0.93,2.47,-2.0,1.0,15.17,53.04,0.0,2.0,8.0,104.64,,1.0,218.126657074,0.0,22.65,2.0,0.0,1.0
360,Thiethylperazine,liquid,R06AD,R06A,R06,R,399.616,4.66,0.00487,-4.9,1.0,,122.56,4.0,0.0,6.0,9.72,8.0,1.0,399.180289323,1.0,46.53,3.0,1.0,1.0
361,Timolol,solid,C07AA,C07A,C07,C,316.42,1.34,0.269,-3.1,1.0,14.08,83.92,2.0,2.0,7.0,79.74,9.76,1.0,316.156911344,0.0,33.86,7.0,1.0,1.0
362,Treprostinil,solid,B01AC,B01A,B01,B,390.5131,4.0,0.00731,-4.7,1.0,3.76,108.0,3.0,3.0,10.0,86.99,-1.3,1.0,390.240624198,1.0,45.75,5.0,-1.0,1.0
364,Trihexyphenidyl,solid,N04AA,N04A,N04,N,301.4662,4.23,0.00314,-5.0,1.0,13.84,93.21,3.0,1.0,5.0,23.47,9.32,1.0,301.240564619,0.0,36.73,2.0,1.0,1.0
365,Palonosetron,solid,A04AA,A04A,A04,A,296.414,2.55,0.464,-2.8,1.0,,88.52,5.0,0.0,1.0,23.55,7.97,1.0,296.188863401,0.0,33.9,2.0,1.0,1.0
366,Dydrogesterone,solid,G03FA,G03F,G03,G,312.4458,3.79,0.00486,-4.8,1.0,19.4,93.82,4.0,0.0,1.0,34.14,-4.8,1.0,312.20893014,0.0,36.39,2.0,0.0,1.0
367,Mexiletine,solid,C01BB,C01B,C01,C,179.2588,2.46,0.538,-2.5,1.0,,54.97,1.0,1.0,3.0,35.25,9.52,1.0,179.131014171,0.0,21.17,2.0,1.0,1.0
368,Dexrazoxane,solid,V03AF,V03A,V03,V,268.2691,-2.7,10.4,-1.4,1.0,11.2,64.25,2.0,2.0,3.0,98.82,3.2,0.0,268.11715502,0.0,26.12,6.0,0.0,1.0
369,Amlodipine,solid,C09XA,C09X,C09,C,408.876,1.64,0.0074,-4.7,1.0,19.12,108.64,2.0,2.0,10.0,99.88,9.45,1.0,408.145199627,0.0,42.31,5.0,1.0,1.0
370,Tacrine,solid,N06DA,N06D,N06,N,198.2637,2.63,0.136,-3.2,1.0,,61.74,3.0,1.0,0.0,38.91,8.95,1.0,198.115698458,0.0,22.79,2.0,1.0,1.0
371,Oxyphencyclimine,solid,A03AA,A03A,A03,A,344.4479,2.62,0.0567,-3.8,1.0,11.54,97.13,3.0,1.0,6.0,62.13,9.27,1.0,344.209992772,1.0,38.33,4.0,1.0,1.0
372,Triamterene,solid,C03DB,C03D,C03,C,253.2626,1.11,0.963,-2.4,1.0,15.88,75.13,3.0,3.0,1.0,129.62,1.86,1.0,253.107593387,0.0,25.9,7.0,0.0,1.0
373,Valrubicin,solid,L01DB,L01D,L01,L,723.651,4.49,0.0325,-4.4,0.0,8.0,168.03,5.0,5.0,12.0,215.22,-3.4,0.0,723.213874712,1.0,69.2,12.0,0.0,0.0
374,Procyclidine,solid,N04AA,N04A,N04,N,287.4397,3.79,0.00984,-4.5,1.0,13.84,88.6,3.0,1.0,5.0,23.47,9.45,1.0,287.224914555,0.0,34.43,2.0,1.0,1.0
375,Phenylephrine,solid,S01FB,S01F,S01,S,167.205,-0.07,22.0,-0.88,1.0,9.07,47.25,1.0,3.0,3.0,52.49,9.69,1.0,167.094628665,0.0,18.2,3.0,1.0,1.0
376,Carbimazole,solid,H03BB,H03B,H03,H,186.232,1.35,3.14,-1.8,1.0,,49.17,1.0,0.0,2.0,32.78,,1.0,186.046298264,0.0,18.71,1.0,0.0,1.0
377,Digoxin,solid,C01AA,C01A,C01,C,780.9385,2.37,0.127,-3.8,0.0,7.15,193.23,8.0,6.0,7.0,203.06,-3.0,0.0,780.429606756,1.0,84.8,13.0,-1.0,0.0
378,Sulpiride,solid,N05AL,N05A,N05,N,341.426,0.22,0.537,-2.8,1.0,10.24,88.63,2.0,2.0,6.0,101.73,8.39,1.0,341.140926929,0.0,36.18,5.0,1.0,1.0
379,Profenamine,solid,N04AA,N04A,N04,N,312.472,5.0,0.00524,-4.8,1.0,,98.0,3.0,0.0,5.0,6.48,9.6,1.0,312.166019468,0.0,36.34,2.0,1.0,0.0
380,Nimodipine,solid,C08CA,C08C,C08,C,418.4403,2.54,0.012,-4.5,1.0,16.96,111.37,2.0,1.0,10.0,117.0,-4.1,1.0,418.174001196,0.0,43.07,6.0,0.0,1.0
381,Beclomethasone dipropionate,solid,D07CC,D07C,D07,D,521.042,4.43,0.00208,-5.4,1.0,13.85,134.79,4.0,1.0,8.0,106.97,-3.3,0.0,520.222781245,1.0,54.46,5.0,0.0,0.0
382,Carisoprodol,solid,M03BA,M03B,M03,M,260.33,1.92,0.792,-2.5,1.0,15.06,67.1,0.0,2.0,9.0,90.65,,1.0,260.173607266,0.0,28.77,2.0,0.0,1.0
383,Progesterone,solid,G03FA,G03F,G03,G,314.4617,4.15,0.00546,-4.8,1.0,18.47,92.71,4.0,0.0,1.0,34.14,-4.8,1.0,314.224580204,0.0,37.26,2.0,0.0,1.0
384,Phenylpropanolamine,solid,R01BA,R01B,R01,R,151.209,0.89,20.6,-0.87,1.0,13.9,44.91,1.0,2.0,2.0,46.25,9.37,0.0,151.099714043,0.0,17.0,2.0,1.0,1.0
385,Sorafenib,solid,L01EX,L01E,L01,L,464.825,4.34,0.00171,-5.4,1.0,11.55,114.52,3.0,3.0,6.0,92.35,3.03,1.0,464.08630272,1.0,41.33,3.0,0.0,1.0
386,Zoledronic acid,solid,M05BB,M05B,M05,M,272.0896,-3.9,3.27,-1.9,1.0,0.66,52.16,1.0,5.0,4.0,153.11,6.67,0.0,271.996323708,0.0,20.1,8.0,-3.0,1.0
387,Griseofulvin,solid,D01BA,D01B,D01,D,352.766,2.17,0.0504,-3.8,1.0,19.62,87.85,3.0,0.0,3.0,71.06,-4.3,1.0,352.071365983,0.0,34.25,6.0,0.0,1.0
388,Nisoldipine,solid,C08CA,C08C,C08,C,388.4144,3.06,0.00577,-4.8,1.0,16.94,104.9,2.0,1.0,8.0,107.77,-6.6,1.0,388.16343651,0.0,39.7,5.0,0.0,1.0
389,Eszopiclone,solid,N05CF,N05C,N05,N,388.808,0.52,0.885,-2.6,1.0,8.04,95.89,4.0,0.0,3.0,91.76,6.86,1.0,388.105066147,0.0,37.82,6.0,0.0,1.0
390,Ceruletide,solid,V04CC,V04C,V04,V,1352.405,-5.2,0.0116,-5.1,0.0,-2.0,325.74,5.0,17.0,38.0,551.4,,0.0,1351.448537843,1.0,130.33,20.0,-3.0,0.0
391,Alprazolam,solid,N05BA,N05B,N05,N,308.765,3.02,0.0324,-4.0,1.0,18.2,98.88,4.0,0.0,1.0,43.07,5.01,1.0,308.082874143,0.0,32.22,3.0,0.0,1.0
392,Dexbrompheniramine,solid,R06AB,R06A,R06,R,319.239,3.75,0.0127,-4.4,1.0,,83.67,2.0,0.0,5.0,16.13,9.48,1.0,318.073161265,0.0,31.84,2.0,1.0,1.0
393,Gentian violet cation,solid,G01AX,G01A,G01,G,372.5258,1.4,0.00193,-5.3,1.0,,146.0,3.0,0.0,4.0,9.49,4.83,0.0,372.243972975,0.0,45.6,2.0,1.0,1.0
395,Loxapine,solid,N05AH,N05A,N05,N,327.808,3.46,0.103,-3.5,1.0,,95.11,4.0,0.0,0.0,28.07,7.18,1.0,327.11383992,0.0,34.99,3.0,1.0,1.0
396,Remoxipride,solid,N05AL,N05A,N05,N,371.269,2.34,0.127,-3.5,1.0,13.06,90.56,2.0,1.0,6.0,50.8,8.4,1.0,370.089205259,0.0,36.25,4.0,1.0,1.0
397,Mupirocin,solid,R01AX,R01A,R01,R,500.6222,2.45,0.0265,-4.3,0.0,4.83,129.39,2.0,4.0,17.0,146.05,-2.7,0.0,500.298533006,0.0,55.82,8.0,-1.0,0.0
398,Carbamoylcholine,solid,N07AB,N07A,N07,N,147.1955,-4.6,0.706,-2.4,1.0,15.23,50.02,0.0,1.0,4.0,52.32,,0.0,147.113352734,0.0,16.02,1.0,1.0,1.0
399,Rosiglitazone,solid,A10BD,A10B,A10,A,357.427,2.45,0.038,-4.0,1.0,6.84,97.79,3.0,1.0,7.0,71.53,6.23,1.0,357.114712179,1.0,37.8,5.0,-1.0,1.0
400,Pramipexole,solid,N04BC,N04B,N04,N,211.327,1.76,0.14,-3.2,1.0,17.66,59.77,2.0,2.0,3.0,50.94,10.31,1.0,211.114318249,0.0,24.47,3.0,1.0,1.0
401,Acetohexamide,solid,A10BB,A10B,A10,A,324.395,1.81,0.0483,-3.8,1.0,4.31,82.77,2.0,2.0,3.0,92.34,-7.4,1.0,324.114377828,0.0,33.97,4.0,-1.0,1.0
402,Ampicillin,solid,J01CR,J01C,J01,J,349.405,-2.0,0.605,-2.8,1.0,3.24,87.52,3.0,3.0,4.0,112.73,7.23,0.0,349.109626801,0.0,34.54,5.0,0.0,1.0
404,Phenoxymethylpenicillin,solid,J01CR,J01C,J01,J,350.39,0.76,0.454,-2.9,1.0,3.39,85.77,3.0,2.0,5.0,95.94,-4.9,1.0,350.093642386,0.0,34.37,5.0,-1.0,1.0
405,Secobarbital,solid,N05CB,N05C,N05,N,238.2829,2.03,1.21,-2.3,1.0,7.48,62.65,1.0,2.0,5.0,75.27,,1.0,238.131742452,0.0,24.33,3.0,0.0,1.0
406,Miglustat,solid,A16AX,A16A,A16,A,219.278,-1.2,331.0,0.18,1.0,12.9,55.74,1.0,4.0,4.0,84.16,8.49,0.0,219.147058165,0.0,23.95,5.0,1.0,1.0
407,Promazine,liquid,N05AA,N05A,N05,N,284.419,3.93,0.0207,-4.1,1.0,,88.95,3.0,0.0,4.0,6.48,9.2,1.0,284.13471934,0.0,32.74,2.0,1.0,1.0
408,Spironolactone,solid,C03DA,C03D,C03,C,416.573,3.64,0.00198,-5.3,1.0,17.89,113.5,5.0,0.0,2.0,60.44,-4.9,1.0,416.202130202,0.0,46.03,3.0,0.0,1.0
409,Methylphenidate,solid,N06BA,N06B,N06,N,233.3062,2.25,0.182,-3.1,1.0,,66.73,2.0,1.0,4.0,38.33,9.09,1.0,233.141578857,0.0,25.91,2.0,1.0,1.0
410,Methocarbamol,solid,M03BA,M03B,M03,M,241.2405,0.45,4.21,-1.8,1.0,13.6,59.07,1.0,2.0,7.0,91.01,-3.4,1.0,241.095022595,0.0,24.28,4.0,0.0,1.0
411,Hyoscyamine,solid,A03BA,A03B,A03,A,289.3694,1.57,3560.0,-1.91,1.0,15.15,80.82,3.0,1.0,5.0,49.77,9.39,1.0,289.167793607,0.0,31.74,3.0,1.0,1.0
412,Zolpidem,solid,N05CF,N05C,N05,N,307.3895,3.02,0.0313,-4.0,1.0,,93.58,3.0,0.0,3.0,37.61,5.39,1.0,307.168462309,0.0,35.06,2.0,0.0,1.0
413,Famciclovir,solid,J05AB,J05A,J05,J,321.3318,-0.48,1.32,-2.4,1.0,16.68,81.54,2.0,1.0,9.0,122.22,3.65,0.0,321.143704121,0.0,32.82,6.0,0.0,1.0
414,Triprolidine,solid,R06AX,R06A,R06,R,278.3914,4.05,0.0537,-3.7,1.0,,98.53,3.0,0.0,4.0,16.13,8.64,1.0,278.178298714,0.0,33.06,2.0,1.0,1.0
415,Streptozocin,solid,L01AD,L01A,L01,L,265.2206,-2.7,33.5,-0.9,1.0,11.43,55.96,1.0,5.0,3.0,151.92,-3.0,0.0,265.090999849,0.0,23.74,7.0,0.0,1.0
416,Carboprost tromethamine,solid,G02AD,G02A,G02,G,489.65,2.89,0.0708,-3.7,1.0,4.36,105.11,1.0,4.0,15.0,97.99,-1.3,0.0,489.330167477,0.0,42.54,5.0,-1.0,1.0
417,Cefpiramide,solid,J01DD,J01D,J01,J,612.637,0.15,0.0668,-4.0,0.0,3.32,164.81,5.0,5.0,9.0,212.76,2.61,0.0,612.120936542,1.0,58.79,11.0,-1.0,0.0
418,Lindane,liquid,P03AB,P03A,P03,P,290.83,4.35,0.00547,-4.7,1.0,,54.08,1.0,0.0,0.0,0.0,,0.0,287.860066434,0.0,23.08,0.0,0.0,1.0
419,Trifluridine,solid,L01BC,L01B,L01,L,296.1999,-0.75,6.69,-1.6,1.0,8.5,56.34,2.0,3.0,3.0,99.1,-3.0,0.0,296.062006087,0.0,23.55,5.0,0.0,1.0
420,Prochlorperazine,solid,N05AB,N05A,N05,N,373.943,4.38,0.011,-4.5,1.0,,109.81,4.0,0.0,4.0,9.72,7.99,1.0,373.13794618,0.0,41.77,3.0,1.0,1.0
421,Cyproheptadine,solid,R06AX,R06A,R06,R,287.3981,4.38,0.0136,-4.3,1.0,,105.17,4.0,0.0,0.0,3.24,8.05,1.0,287.167399677,0.0,34.17,1.0,1.0,1.0
422,Nitric Oxide,liquid,R07AX,R07A,R07,R,30.0061,-0.35,94900.0,,1.0,,2.89,0.0,0.0,0.0,34.14,-2.9,0.0,29.997988627,0.0,1.69,1.0,0.0,1.0
423,Bendroflumethiazide,solid,C03AB,C03A,C03,C,421.415,1.7,0.214,-3.3,1.0,9.04,93.68,3.0,3.0,4.0,118.36,-3.1,1.0,421.037781946,0.0,36.92,5.0,0.0,1.0
424,Allopurinol,solid,M04AA,M04A,M04,M,136.1115,0.031,22.0,-0.79,1.0,8.47,34.98,2.0,2.0,0.0,74.69,1.25,0.0,136.03851077,0.0,11.7,4.0,0.0,1.0
425,Ceftazidime,solid,J01DD,J01D,J01,J,546.576,-4.2,0.00573,-5.0,1.0,2.42,143.88,4.0,3.0,9.0,191.22,4.02,0.0,546.099138468,1.0,51.03,10.0,-1.0,0.0
426,Cerivastatin,solid,C10AA,C10A,C10,C,459.5503,2.67,0.00419,-5.0,1.0,4.05,126.82,2.0,3.0,11.0,99.88,5.58,1.0,459.242101408,0.0,49.43,6.0,-1.0,1.0
427,Trimethoprim,solid,J01EE,J01E,J01,J,290.3177,1.28,0.615,-2.7,1.0,17.33,81.51,2.0,2.0,5.0,105.51,7.16,1.0,290.137890462,0.0,29.71,7.0,1.0,1.0
428,Gemcitabine,solid,L01BC,L01B,L01,L,263.1981,-1.5,22.3,-1.1,1.0,11.52,53.25,2.0,3.0,2.0,108.38,3.65,0.0,263.071762265,0.0,21.62,6.0,0.0,1.0
429,Entecavir,solid,J05AF,J05A,J05,J,277.2792,-1.4,6.59,-1.6,1.0,12.0,71.0,3.0,4.0,2.0,125.76,3.14,0.0,277.117489371,0.0,27.48,7.0,0.0,1.0
430,Betamethasone,solid,R01AD,R01A,R01,R,392.4611,1.68,0.0505,-3.9,1.0,12.42,102.49,4.0,3.0,2.0,94.83,-3.3,1.0,392.199902243,0.0,40.81,5.0,0.0,1.0
431,Teniposide,solid,L01CB,L01C,L01,L,656.654,2.78,0.0598,-4.0,0.0,9.33,155.61,8.0,3.0,6.0,160.83,-3.7,0.0,656.1563618,1.0,64.83,12.0,0.0,0.0
432,Epirubicin,solid,L01DB,L01D,L01,L,543.5193,0.54,1.18,-2.7,0.0,8.01,134.59,5.0,6.0,5.0,206.07,10.03,0.0,543.174060775,0.0,54.62,12.0,1.0,0.0
433,Chloramphenicol,solid,D06AX,D06A,D06,D,323.129,0.88,0.461,-2.8,1.0,8.69,72.2,1.0,3.0,6.0,112.7,-2.8,1.0,322.012326918,0.0,28.13,5.0,0.0,1.0
434,Loracarbef,solid,J01DC,J01D,J01,J,349.769,-2.4,0.325,-3.0,1.0,2.93,86.64,3.0,3.0,4.0,112.73,7.23,0.0,349.082933722,0.0,32.13,5.0,0.0,1.0
435,Lansoprazole,solid,A02BC,A02B,A02,A,369.361,3.03,0.25,-3.2,1.0,9.35,87.61,3.0,1.0,6.0,67.87,4.16,1.0,369.075882012,1.0,34.59,4.0,0.0,1.0
436,Dipivefrin,solid,S01EA,S01E,S01,S,351.4373,3.71,0.0582,-3.8,1.0,14.0,94.94,1.0,2.0,9.0,84.86,9.33,1.0,351.204573043,0.0,39.33,4.0,1.0,1.0
437,Droperidol,solid,N05AD,N05A,N05,N,379.4274,3.01,0.0966,-3.6,1.0,12.72,109.52,4.0,1.0,6.0,52.65,6.75,1.0,379.169605168,1.0,40.71,3.0,0.0,1.0
438,Levothyroxine,solid,H03AA,H03A,H03,H,776.87,3.73,0.00898,-4.9,1.0,0.27,126.79,2.0,3.0,5.0,92.78,9.43,0.0,776.686681525,0.0,49.4,4.0,0.0,0.0
439,Framycetin,solid,D09AA,D09A,D09,D,614.6437,-8.4,64.7,-0.98,0.0,12.29,135.9,4.0,13.0,9.0,353.11,9.73,0.0,614.312285588,1.0,59.47,19.0,6.0,0.0
440,Clomocycline,solid,J01AA,J01A,J01,J,508.906,-3.3,1.77,-2.5,0.0,2.95,124.99,4.0,7.0,3.0,187.86,9.04,0.0,508.124858115,0.0,48.79,10.0,-1.0,0.0
441,Meperidine,solid,N02AB,N02A,N02,N,247.3327,2.46,1.11,-2.4,1.0,,72.48,2.0,0.0,4.0,29.54,8.16,1.0,247.157228921,0.0,28.09,2.0,1.0,1.0
442,Loratadine,solid,R06AX,R06A,R06,R,382.883,4.55,0.0134,-4.5,1.0,,116.98,4.0,0.0,2.0,42.43,4.33,1.0,382.144805697,0.0,41.68,2.0,0.0,1.0
443,Cefalotin,solid,J01DB,J01D,J01,J,396.438,0.016,0.0521,-3.9,1.0,3.43,93.79,3.0,2.0,7.0,113.01,-3.2,1.0,396.044977634,1.0,37.23,5.0,-1.0,1.0
444,Prazosin,solid,C02LE,C02L,C02,C,383.4011,1.65,0.693,-2.7,1.0,,104.5,4.0,1.0,4.0,106.95,7.24,1.0,383.159354185,0.0,40.51,7.0,1.0,1.0
445,Imipramine,solid,N06AA,N06A,N06,N,280.4073,4.28,0.0664,-3.6,1.0,,90.61,3.0,0.0,4.0,6.48,9.2,1.0,280.193948778,0.0,33.39,2.0,1.0,1.0
446,Acitretin,solid,D05BB,D05B,D05,D,326.4293,5.59,0.000478,-5.8,1.0,4.77,104.17,1.0,1.0,6.0,46.53,-4.8,1.0,326.188194698,0.0,38.58,3.0,-1.0,0.0
447,Verteporfin,solid,S01LA,S01L,S01,S,718.7942,6.33,0.0136,-4.7,0.0,4.18,199.08,6.0,3.0,12.0,173.56,4.86,0.0,718.30026434,1.0,81.21,7.0,-1.0,0.0
448,Nabumetone,solid,M01AX,M01A,M01,M,228.2863,3.22,0.00193,-5.1,1.0,19.59,68.43,2.0,0.0,4.0,26.3,-4.8,1.0,228.115029756,0.0,26.17,2.0,0.0,1.0
450,Metharbital,solid,N03AA,N03A,N03,N,198.2191,0.94,19.5,-1.0,1.0,7.75,49.15,1.0,1.0,2.0,66.48,,1.0,198.100442324,0.0,19.6,3.0,0.0,1.0
451,Sodium tetradecyl sulfate,solid,C05BB,C05B,C05,C,316.43,5.04,0.00798,-4.6,0.0,-1.1,76.65,0.0,0.0,11.0,66.43,,1.0,316.16842487,0.0,33.26,3.0,-1.0,0.0
452,Ketorolac,solid,M01AB,M01A,M01,M,255.2686,2.28,0.513,-2.7,1.0,3.84,70.19,3.0,1.0,3.0,59.3,-7.8,1.0,255.089543287,0.0,26.67,3.0,-1.0,1.0
454,Enoxacin,solid,J01MA,J01M,J01,J,320.3189,-1.0,1.09,-2.5,1.0,5.31,83.95,3.0,2.0,3.0,85.77,8.68,0.0,320.128468635,0.0,31.63,7.0,0.0,1.0
455,Quinine,solid,M09AA,M09A,M09,M,324.4168,2.51,0.334,-3.0,1.0,13.89,94.69,4.0,1.0,4.0,45.59,9.05,1.0,324.183778022,0.0,35.99,4.0,1.0,1.0
456,Tenoxicam,solid,M01AC,M01A,M01,M,337.37,-0.12,0.257,-3.1,1.0,2.21,83.93,3.0,2.0,2.0,99.6,4.26,1.0,337.019098194,0.0,31.96,5.0,-1.0,1.0
457,Dronabinol,solid,A04AD,A04A,A04,A,314.4617,5.94,0.00263,-5.1,1.0,9.34,96.73,3.0,1.0,4.0,29.46,-4.9,0.0,314.224580204,0.0,38.96,2.0,0.0,0.0
458,Montelukast,solid,R03DC,R03D,R03,R,586.183,8.49,8.2e-06,-7.8,0.0,4.4,169.5,5.0,2.0,12.0,70.42,3.12,0.0,585.21044242,1.0,66.36,4.0,-1.0,0.0
459,Fluoxetine,solid,N06CA,N06C,N06,N,309.3261,4.17,0.0017,-5.3,1.0,,80.37,2.0,1.0,7.0,21.26,9.8,1.0,309.134048818,0.0,30.33,2.0,1.0,1.0
461,Methohexital,solid,N05CB,N05C,N05,N,262.3043,2.29,0.0524,-3.7,1.0,7.73,71.51,1.0,1.0,5.0,66.48,,1.0,262.131742452,0.0,27.4,3.0,0.0,1.0
462,Chlordiazepoxide,solid,N05BA,N05B,N05,N,299.755,0.19,0.0199,-4.2,1.0,-2.7,87.34,3.0,1.0,1.0,50.46,7.06,1.0,299.082539792,0.0,31.22,3.0,1.0,1.0
463,Duloxetine,solid,N06AX,N06A,N06,N,297.415,4.2,0.00296,-5.0,1.0,,87.73,3.0,1.0,6.0,21.26,9.7,1.0,297.118734925,1.0,33.15,2.0,1.0,1.0
464,Chlorpromazine,liquid,N05AA,N05A,N05,N,318.864,4.54,0.00417,-4.9,1.0,,93.76,3.0,0.0,4.0,6.48,9.2,1.0,318.095747015,0.0,35.1,2.0,1.0,1.0
465,Rimantadine,solid,J05AC,J05A,J05,J,179.3018,2.22,0.00915,-4.3,1.0,,54.52,3.0,1.0,1.0,26.02,10.14,1.0,179.167399677,0.0,21.79,1.0,1.0,1.0
466,Amikacin,solid,S01AA,S01A,S01,S,585.6025,-8.6,49.7,-1.1,0.0,12.1,129.84,3.0,13.0,10.0,331.94,9.79,0.0,585.285736487,1.0,58.06,17.0,4.0,0.0
467,Lenalidomide,solid,L04AX,L04A,L04,L,259.2606,-0.71,0.4,,1.0,11.61,68.3,3.0,2.0,1.0,92.5,2.31,0.0,259.095691297,0.0,25.51,4.0,0.0,1.0
468,Raloxifene,solid,G03XC,G03X,G03,G,473.583,5.46,0.000512,-6.0,1.0,9.0,135.48,5.0,2.0,7.0,70.0,8.42,0.0,473.166079047,1.0,52.55,5.0,1.0,0.0
469,Celecoxib,solid,N02AJ,N02A,N02,N,381.372,4.01,0.00503,-4.9,1.0,10.6,92.23,3.0,1.0,4.0,77.98,-0.41,1.0,381.075882012,0.0,35.2,3.0,0.0,1.0
471,Brimonidine,solid,D11AX,D11A,D11,D,292.135,1.37,0.154,-3.3,1.0,,68.49,3.0,2.0,1.0,62.2,8.32,1.0,291.011957992,0.0,25.74,5.0,1.0,1.0
472,Dicloxacillin,solid,J01CR,J01C,J01,J,470.326,2.91,0.0296,-4.2,1.0,3.75,111.44,4.0,2.0,3.0,112.74,-0.71,1.0,469.026596773,0.0,42.86,5.0,-1.0,1.0
473,Nabilone,solid,A04AD,A04A,A04,A,372.5408,6.36,0.000493,-5.9,1.0,9.33,110.2,3.0,1.0,6.0,46.53,-4.9,0.0,372.266445018,1.0,44.91,3.0,0.0,0.0
474,Pefloxacin,solid,J01MA,J01M,J01,J,333.3574,0.26,1.23,-2.4,1.0,5.55,90.77,3.0,1.0,3.0,64.09,7.01,1.0,333.148869726,0.0,34.42,6.0,-1.0,1.0
475,Altretamine,solid,L01XX,L01X,L01,L,210.2794,2.22,3.1,-1.8,1.0,,65.65,1.0,0.0,3.0,48.39,8.75,1.0,210.159294606,0.0,23.7,6.0,1.0,1.0
476,Sotalol,solid,C07AA,C07A,C07,C,272.364,-0.4,0.782,-2.5,1.0,10.07,71.12,1.0,3.0,5.0,78.43,9.43,1.0,272.119463206,0.0,29.34,4.0,1.0,1.0
477,Buspirone,solid,N05BE,N05B,N05,N,385.5031,1.78,0.588,-2.8,1.0,,108.89,4.0,0.0,6.0,69.64,7.62,1.0,385.247775261,1.0,44.02,6.0,1.0,1.0
478,Miglitol,solid,A10BF,A10B,A10,A,207.2243,-3.2,610.0,0.47,1.0,12.9,48.16,1.0,5.0,3.0,104.39,7.6,0.0,207.110672659,0.0,20.78,6.0,1.0,1.0
479,Fosinopril,solid,C09BA,C09B,C09,C,563.672,5.62,0.00101,-5.8,0.0,3.87,149.12,3.0,1.0,15.0,110.21,-4.4,0.0,563.301189823,1.0,62.27,5.0,-1.0,0.0
480,Cefotaxime,solid,J01DD,J01D,J01,J,455.465,-1.5,0.146,-3.5,1.0,2.73,105.11,3.0,3.0,8.0,173.51,3.58,0.0,455.056939303,1.0,41.77,9.0,-1.0,1.0
481,Entacapone,solid,N04BX,N04B,N04,N,305.286,1.63,0.0797,-3.6,1.0,6.09,79.51,1.0,2.0,5.0,127.7,-1.1,1.0,305.101170605,0.0,29.55,6.0,-1.0,1.0
482,Zidovudine,solid,J05AR,J05A,J05,J,267.2413,-0.3,16.3,-1.2,1.0,9.96,61.7,2.0,2.0,3.0,108.3,-3.0,1.0,267.096753929,0.0,24.77,6.0,0.0,1.0
483,Darifenacin,solid,G04BD,G04B,G04,G,426.55,4.54,0.000298,-6.2,1.0,16.21,128.37,5.0,1.0,7.0,55.56,10.11,1.0,426.230728214,1.0,48.62,3.0,1.0,1.0
484,Oxycodone,solid,N02AA,N02A,N02,N,315.3636,1.03,5.59,-1.8,1.0,13.57,84.04,5.0,1.0,1.0,59.0,8.77,1.0,315.147058165,0.0,32.79,5.0,1.0,1.0
485,Phenindione,solid,B01AA,B01A,B01,B,222.2387,2.88,0.023,-4.0,1.0,4.92,65.23,3.0,0.0,1.0,34.14,-7.5,1.0,222.068079564,0.0,23.24,2.0,-1.0,1.0
486,Flutamide,solid,L02BB,L02B,L02,L,276.2118,3.27,0.00566,-4.7,1.0,12.81,62.42,1.0,1.0,4.0,72.24,-3.7,1.0,276.072176843,0.0,23.22,3.0,0.0,1.0
487,Tolmetin,solid,M01AB,M01A,M01,M,257.2845,2.73,0.131,-3.3,1.0,3.93,72.39,2.0,1.0,4.0,59.3,-7.8,1.0,257.105193351,0.0,27.67,3.0,-1.0,1.0
488,Cimetidine,solid,A02BA,A02B,A02,A,252.339,-0.11,9380.0,-1.35,1.0,13.38,70.32,1.0,3.0,5.0,88.89,6.91,1.0,252.115715232,0.0,27.28,5.0,0.0,1.0
489,Haloperidol,solid,N05AD,N05A,N05,N,375.864,3.66,0.00446,-4.9,1.0,13.96,102.59,3.0,1.0,6.0,40.54,8.05,1.0,375.140134897,1.0,39.15,3.0,1.0,1.0
490,Ritonavir,solid,J05AP,J05A,J05,J,720.944,5.22,0.00126,-5.8,0.0,13.68,194.59,4.0,4.0,18.0,145.78,2.84,0.0,720.312760056,1.0,76.23,6.0,0.0,0.0
492,Tridihexethyl,solid,A03AB,A03A,A03,A,318.5166,0.29,1.68e-05,-7.3,1.0,13.69,111.22,2.0,1.0,8.0,20.23,-3.4,1.0,318.279689779,0.0,39.17,1.0,1.0,1.0
493,Nitazoxanide,solid,P01AX,P01A,P01,P,307.282,2.12,0.00755,-4.6,1.0,10.62,72.89,2.0,1.0,5.0,111.43,-4.2,1.0,307.026291103,0.0,27.61,5.0,0.0,1.0
494,Triflupromazine,solid,N05AA,N05A,N05,N,352.417,4.81,0.0018,-5.3,1.0,,94.93,3.0,0.0,5.0,6.48,9.2,1.0,352.122103923,0.0,35.29,2.0,1.0,1.0
495,Dextrothyroxine,solid,C10AX,C10A,C10,C,776.87,3.73,0.00898,-4.9,1.0,0.27,126.79,2.0,3.0,5.0,92.78,9.43,0.0,776.686681525,0.0,49.38,4.0,0.0,0.0
496,Acetyldigitoxin,solid,C01AA,C01A,C01,C,806.9757,4.04,0.0123,-4.8,0.0,7.18,200.87,8.0,4.0,9.0,188.9,0.24,0.0,806.44525682,1.0,87.85,12.0,-1.0,0.0
497,Vancomycin,solid,J01XA,J01X,J01,J,1449.254,-4.4,0.225,-3.8,0.0,2.99,346.61,10.0,19.0,13.0,530.49,9.89,0.0,1447.430199787,1.0,137.84,24.0,1.0,0.0
498,Aminocaproic acid,solid,B02AA,B02A,B02,B,131.1729,-2.0,45.2,-0.46,1.0,4.73,34.66,0.0,2.0,5.0,63.32,10.21,0.0,131.094628665,0.0,14.71,3.0,0.0,1.0
499,Dextromethorphan,solid,R05DA,R05D,R05,R,271.404,3.49,0.00851,-4.5,1.0,,82.56,4.0,0.0,1.0,12.47,9.85,1.0,271.193614429,0.0,31.86,2.0,1.0,1.0
500,Cisplatin,solid,L01XA,L01X,L01,L,300.05,-0.04,69.6,-0.64,1.0,,43.3,0.0,0.0,0.0,55.28,,0.0,298.955596,0.0,10.95,0.0,0.0,0.0
503,Albendazole,solid,P02CA,P02C,P02,P,265.331,3.2,0.0228,-4.1,1.0,9.51,73.01,2.0,2.0,5.0,67.01,4.27,1.0,265.088497429,0.0,29.3,3.0,0.0,1.0
504,Trandolapril,solid,C09AA,C09A,C09,C,430.5372,1.95,0.0207,-4.3,1.0,3.8,115.79,3.0,2.0,10.0,95.94,5.21,1.0,430.246772208,1.0,46.96,5.0,-1.0,1.0
505,Caspofungin,solid,J02AX,J02A,J02,J,1093.331,-4.8,0.367,-3.5,0.0,8.75,278.78,4.0,16.0,23.0,412.03,9.76,0.0,1092.643062174,1.0,117.66,18.0,2.0,0.0
506,Carteolol,solid,S01ED,S01E,S01,S,292.3734,1.42,0.421,-2.8,1.0,13.41,83.14,2.0,3.0,6.0,70.59,9.76,1.0,292.178692644,0.0,32.79,4.0,1.0,1.0
507,Bentiromide,solid,V04CK,V04C,V04,V,404.4153,3.54,0.00412,-5.0,1.0,4.16,112.74,3.0,4.0,7.0,115.73,-1.3,1.0,404.13722176,1.0,42.12,5.0,-1.0,1.0
508,Alitretinoin,solid,L01XF,L01X,L01,L,300.4351,5.01,0.00477,-4.8,1.0,4.76,97.79,1.0,1.0,5.0,37.3,,1.0,300.20893014,0.0,35.89,2.0,-1.0,0.0
509,Metolazone,solid,C03EA,C03E,C03,C,365.835,2.94,0.0407,-4.0,1.0,9.54,94.59,3.0,2.0,2.0,92.5,-1.6,1.0,365.06008979,0.0,36.38,4.0,0.0,1.0
510,Tolnaftate,solid,D01AE,D01A,D01,D,307.409,5.75,0.000546,-5.8,1.0,,94.92,3.0,0.0,3.0,12.47,0.075,0.0,307.103084861,0.0,34.22,1.0,0.0,0.0
512,Cinchocaine,solid,D04AB,D04A,D04,D,343.4632,3.7,0.0389,-4.0,1.0,14.57,102.12,2.0,1.0,10.0,54.46,9.04,1.0,343.225977187,0.0,40.78,4.0,1.0,1.0
513,Lercanidipine,solid,C09DB,C09D,C09,C,611.7272,6.41,0.000156,-6.6,0.0,16.96,176.85,4.0,1.0,14.0,111.01,9.36,0.0,611.299536059,1.0,66.2,6.0,1.0,0.0
514,Foscarnet,solid,J05AD,J05A,J05,J,126.0053,-0.83,16.8,-0.88,1.0,-0.096,19.07,0.0,3.0,1.0,94.83,,0.0,125.971809718,0.0,7.89,5.0,-2.0,1.0
515,Erlotinib,solid,L01EB,L01E,L01,L,393.4357,3.2,0.00891,-4.6,1.0,16.14,107.79,3.0,1.0,10.0,74.73,4.62,1.0,393.168856239,1.0,43.48,7.0,0.0,1.0
516,Cyclophosphamide,solid,L01AA,L01A,L01,L,261.086,0.097,15.1,-1.2,1.0,13.48,58.48,1.0,1.0,5.0,41.57,,1.0,260.02481966,0.0,23.72,1.0,0.0,1.0
517,Mephenytoin,solid,N03AB,N03A,N03,N,218.2518,1.67,0.97,-2.4,1.0,11.09,59.54,2.0,1.0,2.0,49.41,-8.1,1.0,218.105527702,0.0,22.67,2.0,0.0,1.0
518,Rofecoxib,solid,M01AH,M01A,M01,M,314.356,2.56,0.0106,-4.5,1.0,13.12,84.08,3.0,0.0,3.0,60.44,-7.0,1.0,314.061279626,0.0,31.73,3.0,0.0,1.0
520,Cefdinir,solid,J01DD,J01D,J01,J,395.414,-0.89,0.0878,-3.6,1.0,2.73,94.34,3.0,4.0,5.0,158.21,3.61,0.0,395.035809931,0.0,36.14,8.0,-1.0,1.0
522,Ciprofloxacin,solid,J01RA,J01R,J01,J,331.3415,-0.86,1.35,-2.4,1.0,5.56,87.94,4.0,2.0,3.0,72.88,8.77,0.0,331.133219662,0.0,33.11,6.0,0.0,1.0
523,Gadoversetamide,solid,V08CA,V08C,V08,V,661.76,-8.9,2.98,-2.4,0.0,0.91,154.49,0.0,2.0,22.0,206.77,8.34,0.0,662.154667866,0.0,49.81,13.0,-2.0,0.0
524,Toremifene,solid,L02BA,L02B,L02,L,405.96,6.27,0.000409,-6.0,1.0,,133.41,3.0,0.0,9.0,12.47,8.76,0.0,405.18594223,1.0,46.49,2.0,1.0,0.0
525,Nortriptyline,solid,N06AA,N06A,N06,N,263.3767,4.43,0.000874,-5.5,1.0,,96.21,3.0,1.0,3.0,12.03,10.47,1.0,263.167399677,0.0,31.87,1.0,1.0,1.0
526,Vincristine,solid,L01CA,L01C,L01,L,824.972,3.13,0.03,-4.4,1.0,10.85,221.48,9.0,3.0,10.0,171.17,8.66,0.0,824.399644019,1.0,88.32,9.0,2.0,0.0
527,Benazepril,solid,C09BA,C09B,C09,C,424.4895,1.54,0.0105,-4.6,1.0,3.53,115.23,3.0,2.0,10.0,95.94,5.36,1.0,424.199822016,1.0,44.98,5.0,-1.0,1.0
528,Amoxapine,solid,N06AA,N06A,N06,N,313.781,3.08,0.171,-3.3,1.0,,89.82,4.0,1.0,0.0,36.86,8.83,1.0,313.098189856,0.0,32.83,3.0,1.0,1.0
529,Fluorouracil,solid,L01BC,L01B,L01,L,130.0772,-0.66,5.86,-1.4,1.0,7.18,26.17,1.0,2.0,0.0,58.2,-8.0,0.0,130.017855555,0.0,9.46,2.0,-1.0,1.0
530,Pyridostigmine,solid,N07AA,N07A,N07,N,181.2117,-3.5,1.04,-2.3,1.0,,49.66,1.0,0.0,2.0,33.42,,0.0,181.09770267,0.0,19.44,1.0,1.0,1.0
531,Adinazolam,solid,N05BA,N05B,N05,N,351.833,2.91,0.0672,-3.7,1.0,18.28,112.31,4.0,0.0,3.0,46.31,6.3,1.0,351.125073308,0.0,37.76,4.0,0.0,1.0
532,Desoximetasone,solid,D07AC,D07A,D07,D,376.4617,2.35,0.031,-4.1,1.0,13.44,101.17,4.0,2.0,2.0,74.6,-3.3,1.0,376.204987621,0.0,40.12,4.0,0.0,1.0
533,Azelaic acid,solid,D10AX,D10A,D10,D,188.2209,1.82,2.28,-1.9,1.0,4.15,46.54,0.0,2.0,8.0,74.6,,1.0,188.104859,0.0,20.5,4.0,-2.0,1.0
534,Zafirlukast,solid,R03DC,R03D,R03,R,575.675,6.4,0.000962,-5.8,0.0,4.29,158.58,5.0,2.0,8.0,115.73,-1.1,0.0,575.209006493,1.0,62.0,6.0,-1.0,0.0
535,Propylthiouracil,solid,H03BA,H03B,H03,H,170.232,1.2,0.466,-2.6,1.0,8.09,48.9,1.0,2.0,2.0,41.13,-2.9,1.0,170.051383642,0.0,17.79,1.0,0.0,1.0
536,Acetohydroxamic acid,solid,G04BX,G04B,G04,G,75.0666,-1.0,509.0,0.83,1.0,8.94,16.23,0.0,2.0,0.0,49.33,-5.4,0.0,75.032028409,0.0,6.6,2.0,0.0,1.0
537,Pentostatin,solid,L01XX,L01X,L01,L,268.2691,-2.0,10.7,-1.4,1.0,13.06,64.98,3.0,4.0,2.0,112.13,8.33,0.0,268.11715502,0.0,26.34,7.0,1.0,1.0
538,Methoxsalen,solid,D05BA,D05B,D05,D,216.192,1.78,0.164,-3.1,1.0,,56.85,3.0,0.0,1.0,48.67,-2.9,1.0,216.042258738,0.0,20.98,2.0,0.0,1.0
539,Piroxicam,solid,M01AC,M01A,M01,M,331.346,0.6,0.143,-3.4,1.0,4.76,87.04,3.0,2.0,2.0,99.6,3.79,1.0,331.062676609,0.0,32.27,5.0,-1.0,1.0
540,Lamotrigine,solid,N03AX,N03A,N03,N,256.091,1.93,0.488,-2.7,1.0,14.98,66.62,2.0,2.0,1.0,90.71,5.89,1.0,255.007850663,0.0,23.1,5.0,0.0,1.0
542,Hydroxyzine,solid,N05BB,N05B,N05,N,374.904,3.41,0.0914,-3.6,1.0,15.12,107.07,3.0,1.0,8.0,35.94,7.45,1.0,374.176105825,1.0,41.99,4.0,1.0,1.0
543,Zanamivir,solid,J05AH,J05A,J05,J,332.3098,-5.8,7.31,-1.7,0.0,3.06,76.19,1.0,7.0,6.0,200.72,11.93,0.0,332.133199014,0.0,31.24,10.0,0.0,0.0
544,Bosentan,solid,G01AE,G01A,G01,G,551.614,4.94,0.00904,-4.8,1.0,5.8,166.66,4.0,2.0,10.0,145.65,0.57,0.0,551.183854375,1.0,57.89,9.0,-1.0,0.0
545,Tigecycline,solid,J01AA,J01A,J01,J,585.6487,-3.9,0.45,-3.1,0.0,3.17,159.34,4.0,7.0,7.0,205.76,8.97,0.0,585.279863249,1.0,61.56,11.0,1.0,0.0
546,Doxapram,solid,R07AB,R07A,R07,R,378.5072,3.23,0.0343,-4.0,1.0,,112.85,4.0,0.0,6.0,32.78,7.23,1.0,378.230728214,1.0,43.02,3.0,1.0,1.0
547,Benzthiazide,solid,G01AE,G01A,G01,G,431.937,1.84,0.0121,-4.6,1.0,9.18,104.14,3.0,2.0,5.0,118.69,-4.7,1.0,430.983495728,0.0,41.5,6.0,0.0,1.0
548,Methotrexate,solid,L04AX,L04A,L04,L,454.4393,-2.3,0.0819,-3.7,0.0,2.95,137.57,3.0,6.0,9.0,205.92,14.55,0.0,454.171315854,1.0,45.43,12.0,-2.0,0.0
549,Carbamazepine,solid,N03AF,N03A,N03,N,236.2686,2.77,0.152,-3.2,1.0,15.96,71.89,3.0,1.0,0.0,46.33,-3.8,1.0,236.094963016,0.0,25.0,1.0,0.0,1.0
550,Cisatracurium,solid,M03AC,M03A,M03,M,929.16,-0.96,2.32e-05,-7.6,0.0,19.02,280.68,6.0,0.0,26.0,126.44,-4.1,0.0,928.507428607,1.0,104.19,10.0,2.0,0.0
552,Cephalexin,solid,J01DB,J01D,J01,J,347.389,-2.1,0.297,-3.1,1.0,3.26,88.97,3.0,3.0,4.0,112.73,7.23,0.0,347.093976737,0.0,32.52,5.0,0.0,1.0
554,Fondaparinux,solid,B01AX,B01A,B01,B,1508.263,-10.0,7.91,-2.3,0.0,-3.0,255.85,5.0,19.0,27.0,805.48,,0.0,1506.951330709,1.0,122.56,44.0,-10.0,0.0
555,Vinblastine,solid,L01CA,L01C,L01,L,810.9741,4.18,0.0169,-4.7,1.0,10.87,222.42,9.0,3.0,10.0,154.1,8.86,0.0,810.420379474,1.0,87.46,9.0,2.0,0.0
556,Propranolol,solid,C07FX,C07F,C07,C,259.3434,2.58,0.0794,-3.5,1.0,14.09,76.83,2.0,2.0,6.0,41.49,9.67,1.0,259.157228921,0.0,29.98,3.0,1.0,1.0
557,Atropine,solid,S01FA,S01F,S01,S,289.3694,1.57,2.52,-2.1,1.0,15.15,80.82,3.0,1.0,5.0,49.77,9.39,1.0,289.167793607,0.0,31.28,3.0,1.0,1.0
558,Fenoprofen,solid,M01AE,M01A,M01,M,242.2699,3.65,0.0811,-3.5,1.0,3.96,68.18,2.0,1.0,4.0,46.53,-3.7,1.0,242.094294314,0.0,25.3,2.0,-1.0,1.0
559,Fenfluramine,solid,A08AA,A08A,A08,A,231.2573,3.47,0.0215,-4.0,1.0,,59.2,1.0,1.0,5.0,12.03,10.22,1.0,231.123484132,0.0,22.69,1.0,1.0,1.0
560,Clonidine,solid,S01EA,S01E,S01,S,230.094,2.49,0.48,-2.7,1.0,,59.09,2.0,2.0,1.0,36.42,8.16,1.0,229.017352717,0.0,21.7,3.0,1.0,1.0
561,Sulfamethizole,solid,J01EB,J01E,J01,J,270.331,0.21,0.611,-2.6,1.0,6.71,66.84,2.0,2.0,2.0,97.97,1.95,1.0,270.024516964,0.0,26.26,5.0,-1.0,1.0
562,Valaciclovir,solid,J05AB,J05A,J05,J,324.3357,-0.059,3.55,-2.0,1.0,11.99,80.63,2.0,3.0,8.0,146.85,7.48,1.0,324.154603158,0.0,31.96,8.0,1.0,1.0
563,Carbenicillin,solid,J01CR,J01C,J01,J,378.4,0.82,0.39,-3.0,1.0,3.11,90.82,3.0,3.0,5.0,124.01,-6.3,1.0,378.088557008,0.0,36.39,6.0,-2.0,1.0
564,Mazindol,solid,A08AA,A08A,A08,A,284.74,3.44,0.139,-3.3,1.0,11.61,79.42,4.0,1.0,1.0,35.83,3.86,1.0,284.071640755,0.0,29.49,3.0,0.0,1.0
565,Valdecoxib,solid,M01AH,M01A,M01,M,314.359,2.82,0.0348,-4.0,1.0,10.06,84.71,3.0,1.0,3.0,86.19,0.42,1.0,314.072513014,0.0,31.76,3.0,0.0,1.0
566,Lactulose,solid,A06AD,A06A,A06,A,342.2965,-4.5,792.0,0.36,0.0,10.28,68.77,2.0,8.0,5.0,189.53,-3.0,0.0,342.116211546,0.0,31.48,11.0,0.0,0.0
567,Voriconazole,solid,J02AC,J02A,J02,J,349.3105,1.82,0.0978,-3.6,1.0,12.7,95.28,3.0,1.0,5.0,76.72,2.01,1.0,349.11504471,0.0,30.54,5.0,0.0,1.0
568,Levocarnitine,solid,A16AA,A16A,A16,A,161.1989,-4.9,5.33,-1.6,1.0,4.2,63.49,0.0,1.0,4.0,60.36,-3.6,0.0,161.105193351,0.0,16.93,3.0,0.0,1.0
569,Enalapril,solid,C09BA,C09B,C09,C,376.4467,0.59,0.213,-3.2,1.0,3.67,99.57,2.0,2.0,10.0,95.94,5.2,1.0,376.199822016,0.0,40.41,5.0,-1.0,1.0
570,Nizatidine,solid,A02BA,A02B,A02,A,331.45,0.77,0.0386,-3.9,1.0,,95.84,1.0,2.0,10.0,83.33,6.54,1.0,331.113667284,0.0,35.54,6.0,0.0,1.0
571,Diclofenac,solid,S01CC,S01C,S01,S,296.149,4.26,0.00447,-4.8,1.0,4.0,75.46,2.0,2.0,4.0,49.33,-2.1,1.0,295.016684015,0.0,27.93,3.0,-1.0,1.0
574,Lisuride,solid,G02CB,G02C,G02,G,338.4466,2.17,0.14,-3.4,1.0,15.36,101.81,4.0,2.0,3.0,51.37,6.88,1.0,338.210661474,0.0,38.81,2.0,0.0,1.0
575,Doxazosin,solid,C02CA,C02C,C02,C,451.4751,2.14,0.79,-2.8,1.0,12.67,121.64,5.0,1.0,4.0,112.27,7.24,1.0,451.185568935,0.0,47.17,9.0,1.0,1.0
576,Fluocinolone acetonide,solid,S01CA,S01C,S01,S,452.4882,1.6,0.0547,-3.9,1.0,13.38,111.41,5.0,2.0,2.0,93.06,-3.3,1.0,452.201045102,0.0,44.84,6.0,0.0,1.0
577,Piperazine,solid,P02CB,P02C,P02,P,86.1356,-0.73,371.0,0.63,1.0,,25.45,1.0,2.0,0.0,24.06,9.56,0.0,86.08439833,0.0,9.97,2.0,1.0,1.0
578,Ethosuximide,solid,N03AD,N03A,N03,N,141.1677,0.55,101.0,-0.15,1.0,10.73,35.96,1.0,1.0,1.0,46.17,-6.6,0.0,141.078978601,0.0,14.45,2.0,0.0,1.0
579,Amiloride,solid,C03DB,C03D,C03,C,229.627,-0.5,0.616,-2.6,1.0,11.43,67.18,1.0,5.0,1.0,156.79,7.35,0.0,229.04788562,0.0,20.0,7.0,1.0,1.0
580,Oxytetracycline,solid,J01AA,J01A,J01,J,460.434,-4.5,1.4,-2.5,0.0,2.84,115.4,4.0,7.0,2.0,201.85,7.41,0.0,460.148180376,0.0,43.22,10.0,0.0,0.0
581,Ulobetasol,solid,D05AX,D05A,D05,D,428.9,2.7,0.022,-4.3,1.0,12.46,105.37,4.0,2.0,2.0,74.6,-3.4,1.0,428.1565934,0.0,42.07,4.0,0.0,1.0
582,Gadoteridol,solid,V08CA,V08C,V08,V,558.68,-6.8,11.2,-1.8,0.0,1.46,133.55,1.0,1.0,8.0,153.58,8.3,0.0,559.127724835,0.0,39.38,11.0,-2.0,0.0
583,Labetalol,solid,C07BG,C07B,C07,C,328.4055,1.89,0.00578,-4.8,1.0,8.05,94.72,2.0,4.0,8.0,95.58,9.8,1.0,328.178692644,0.0,36.83,4.0,1.0,1.0
584,Thiopental,solid,N01AF,N01A,N01,N,242.338,2.78,0.0398,-3.8,1.0,7.2,65.99,1.0,2.0,4.0,58.2,-8.0,1.0,242.10889852,0.0,25.7,2.0,-1.0,1.0
585,Monobenzone,solid,D11AX,D11A,D11,D,200.2332,3.24,0.0392,-3.7,1.0,9.91,59.11,2.0,1.0,3.0,29.46,-4.8,1.0,200.083729628,0.0,21.91,2.0,0.0,1.0
586,Linezolid,solid,J01XX,J01X,J01,J,337.3461,0.64,1.44,-2.4,1.0,14.85,84.47,3.0,1.0,4.0,71.11,-1.2,1.0,337.143784348,0.0,34.06,5.0,0.0,1.0
587,Ivermectin,solid,P02CF,P02C,P02,P,1736.185,5.83,0.00614,-5.2,0.0,12.47,230.33,14.0,3.0,15.0,170.06,-3.4,0.0,1735.000064061,1.0,95.55,13.0,0.0,0.0
588,Medroxyprogesterone acetate,solid,G03AA,G03A,G03,G,386.5244,4.13,0.00221,-5.2,1.0,17.73,107.81,4.0,0.0,3.0,60.44,-4.9,1.0,386.245709576,0.0,44.06,3.0,0.0,1.0
589,Cisapride,solid,A03FA,A03F,A03,A,465.945,2.49,0.012,-4.6,1.0,14.58,122.93,3.0,2.0,9.0,86.05,8.24,1.0,465.183062343,1.0,49.11,6.0,1.0,1.0
590,Sulindac,solid,M01AB,M01A,M01,M,356.411,2.93,0.0251,-4.2,1.0,4.09,99.56,3.0,1.0,4.0,54.37,-8.1,1.0,356.088243305,0.0,37.21,3.0,-1.0,1.0
591,Cyclothiazide,solid,G01AE,G01A,G01,G,389.878,0.94,0.279,-3.2,1.0,9.06,92.65,4.0,3.0,2.0,118.36,-2.5,1.0,389.027075102,0.0,37.1,5.0,0.0,1.0
592,Nafcillin,solid,J01CR,J01C,J01,J,414.475,2.29,0.0172,-4.4,1.0,3.31,108.14,4.0,2.0,5.0,95.94,-1.9,1.0,414.124942514,0.0,42.22,5.0,-1.0,1.0
593,Chloroquine,solid,P01BB,P01B,P01,P,319.872,3.93,0.0175,-4.3,1.0,,96.42,2.0,1.0,8.0,28.16,10.32,1.0,319.181525554,0.0,37.29,3.0,2.0,1.0
594,Ethionamide,solid,J04AD,J04A,J04,J,166.243,1.33,0.839,-2.3,1.0,11.89,50.19,1.0,1.0,2.0,38.91,5.0,1.0,166.05646902,0.0,17.99,1.0,0.0,1.0
595,Metaraminol,solid,C01CA,C01C,C01,C,167.205,-0.045,12.8,-1.1,1.0,9.03,46.89,1.0,3.0,2.0,66.48,9.68,1.0,167.094628665,0.0,17.84,3.0,1.0,1.0
596,Butorphanol,solid,N02AF,N02A,N02,N,327.4605,2.89,0.16,-3.3,1.0,9.86,95.92,5.0,2.0,2.0,43.7,10.7,1.0,327.219829177,0.0,37.95,3.0,1.0,1.0
597,Bisoprolol,solid,C07FX,C07F,C07,C,325.443,2.2,0.0707,-3.7,1.0,14.09,92.15,1.0,2.0,12.0,59.95,9.67,1.0,325.225308485,0.0,38.5,5.0,1.0,1.0
598,Amodiaquine,solid,P01BF,P01B,P01,P,355.861,3.8,0.0088,-4.6,1.0,9.1,103.29,3.0,2.0,6.0,48.39,10.17,1.0,355.145140048,1.0,38.89,4.0,1.0,1.0
599,Furazolidone,solid,G01AX,G01A,G01,G,225.16,0.87,0.364,-2.8,1.0,,50.08,2.0,0.0,3.0,98.18,-2.4,1.0,225.038570337,0.0,19.78,4.0,0.0,1.0
600,Rifabutin,solid,J04AB,J04A,J04,J,847.0047,3.66,0.017,-4.7,0.0,6.93,232.64,6.0,5.0,5.0,205.55,9.03,0.0,846.441508846,0.0,89.99,13.0,0.0,0.0
602,Paramethadione,liquid,N03AC,N03A,N03,N,157.1671,1.03,135.0,-0.07,1.0,,37.72,1.0,0.0,1.0,46.61,,0.0,157.073893223,0.0,15.39,2.0,0.0,1.0
603,Demeclocycline,solid,J01AA,J01A,J01,J,464.853,-3.2,0.53,-2.9,1.0,2.94,114.35,4.0,6.0,2.0,181.62,9.04,0.0,464.098643365,0.0,44.33,9.0,-1.0,0.0
604,Imatinib,solid,L01EA,L01E,L01,L,493.6027,4.38,0.0146,-4.5,1.0,12.69,148.93,5.0,2.0,7.0,86.28,7.84,0.0,493.259008649,1.0,55.54,7.0,1.0,1.0
605,Triamcinolone,solid,D07AB,D07A,D07,D,394.4339,0.24,0.847,-2.7,1.0,11.75,99.38,4.0,4.0,2.0,115.06,-3.3,1.0,394.179166801,0.0,39.8,6.0,0.0,1.0
606,Oxandrolone,solid,A14AA,A14A,A14,A,306.4397,2.95,0.014,-4.3,1.0,,84.75,4.0,1.0,0.0,46.53,-0.53,1.0,306.219494826,0.0,35.4,2.0,0.0,1.0
607,Nicardipine,solid,C08CA,C08C,C08,C,479.525,3.56,0.00247,-5.3,1.0,16.97,133.79,3.0,1.0,11.0,111.01,8.1,0.0,479.205635675,1.0,50.07,6.0,1.0,1.0
608,Fluphenazine,liquid,N05AB,N05A,N05,N,437.522,3.97,0.019,-4.4,1.0,15.59,117.27,4.0,1.0,7.0,29.95,7.81,1.0,437.174867774,1.0,44.92,4.0,1.0,1.0
609,Testosterone,solid,G03BA,G03B,G03,G,288.4244,3.37,0.0333,-3.9,1.0,18.52,84.43,4.0,1.0,0.0,37.3,-0.88,1.0,288.20893014,0.0,33.88,2.0,0.0,1.0
610,Efavirenz,solid,J05AR,J05A,J05,J,315.675,4.46,0.00855,-4.6,1.0,12.52,71.34,3.0,1.0,3.0,38.33,-1.5,1.0,315.027390859,0.0,26.81,2.0,0.0,1.0
611,Bacitracin,solid,J01XX,J01X,J01,J,1422.693,-6.8,0.0245,-4.8,0.0,3.19,363.14,4.0,17.0,31.0,530.87,9.63,0.0,1421.748941023,1.0,149.32,20.0,0.0,0.0
612,Niacin,solid,C10AD,C10A,C10,C,123.1094,-0.17,83.1,-0.17,1.0,2.79,31.16,1.0,1.0,1.0,50.19,4.19,0.0,123.032028409,0.0,11.3,3.0,-1.0,1.0
613,Clorazepic acid,solid,N05BA,N05B,N05,N,314.723,3.21,0.0248,-4.1,1.0,3.32,82.68,3.0,2.0,2.0,78.76,-0.64,1.0,314.045819935,0.0,30.62,4.0,-1.0,1.0
615,Alendronic acid,solid,M05BB,M05B,M05,M,249.096,-4.2,16.9,-1.2,1.0,0.69,47.37,0.0,6.0,5.0,161.31,9.91,0.0,249.016724799,0.0,19.4,8.0,-2.0,0.0
616,Clofarabine,solid,L01BB,L01B,L01,L,303.677,-0.29,4.89,-1.8,1.0,12.71,67.0,3.0,3.0,2.0,119.31,2.2,1.0,303.053445155,0.0,26.92,7.0,0.0,1.0
617,Docosanol,solid,D06BB,D06B,D06,D,326.6,8.81,1.96e-05,-7.2,0.0,16.84,104.95,0.0,1.0,20.0,20.23,-2.0,0.0,326.354866094,0.0,47.27,1.0,0.0,0.0
618,Dexmedetomidine,solid,N05CM,N05C,N05,N,200.2795,3.39,0.174,-3.1,1.0,14.09,62.98,2.0,1.0,2.0,28.68,6.54,1.0,200.131348522,0.0,23.32,1.0,0.0,1.0
619,Sulfacetamide,solid,D10AF,D10A,D10,D,214.242,-0.26,4.21,-1.7,1.0,4.3,52.48,1.0,2.0,1.0,89.26,2.14,1.0,214.041212886,0.0,20.49,4.0,-1.0,1.0
621,Clofibrate,liquid,C10AB,C10A,C10,C,242.699,3.4,0.029,-3.9,1.0,,62.14,1.0,0.0,5.0,35.53,-4.9,1.0,242.070972053,0.0,24.7,2.0,0.0,1.0
622,Astemizole,solid,R06AX,R06A,R06,R,458.5703,5.39,0.0012,-5.6,1.0,,135.64,5.0,1.0,8.0,42.32,8.73,0.0,458.248189839,1.0,52.08,4.0,1.0,0.0
624,Butoconazole,solid,G01AF,G01A,G01,G,411.776,6.55,0.000818,-5.7,1.0,,108.99,3.0,0.0,7.0,17.82,6.51,0.0,410.017802365,1.0,41.01,1.0,0.0,0.0
625,Adenosine,solid,C01EB,C01E,C01,C,267.2413,-2.1,14.0,-1.3,1.0,12.45,63.2,3.0,4.0,2.0,139.54,3.94,0.0,267.096753929,0.0,25.28,8.0,0.0,1.0
626,Simvastatin,solid,A10BH,A10B,A10,A,418.5662,4.46,0.0122,-4.5,1.0,14.91,117.68,3.0,1.0,7.0,72.83,-2.8,1.0,418.271924326,1.0,47.88,3.0,0.0,1.0
627,Pemetrexed,solid,L01BA,L01B,L01,L,427.4106,1.2,0.0455,-4.0,1.0,3.39,109.45,3.0,6.0,9.0,186.97,2.43,1.0,427.149183429,1.0,43.24,9.0,-2.0,0.0
628,Mebendazole,solid,P02CA,P02C,P02,P,295.2927,3.26,0.0387,-3.9,1.0,8.44,81.5,3.0,2.0,4.0,84.08,3.93,1.0,295.095691297,0.0,31.1,4.0,0.0,1.0
629,Gonadorelin,liquid,V04CM,V04C,V04,V,1182.2901,-6.3,0.0588,-4.3,0.0,9.47,302.51,6.0,16.0,31.0,474.63,11.16,0.0,1181.573025571,1.0,120.21,17.0,1.0,0.0
630,Dyclonine,solid,N01BX,N01B,N01,N,289.4125,3.68,0.046,-3.8,1.0,16.29,87.07,2.0,0.0,8.0,29.54,8.36,1.0,289.204179113,0.0,35.14,3.0,1.0,1.0
631,Nystatin,solid,D01AA,D01A,D01,D,926.107,-1.9,0.086,-4.0,0.0,3.61,243.55,3.0,12.0,3.0,319.61,9.11,0.0,925.503499959,0.0,100.62,17.0,0.0,0.0
632,Dextropropoxyphene,solid,N02AC,N02A,N02,N,339.4712,4.9,0.00419,-4.9,1.0,,102.88,2.0,0.0,9.0,29.54,9.52,1.0,339.219829177,0.0,38.86,2.0,1.0,1.0
633,Mitotane,solid,L01XX,L01X,L01,L,320.041,6.11,9.42e-06,-7.5,1.0,,79.97,2.0,0.0,3.0,0.0,,0.0,317.953661148,0.0,29.93,0.0,0.0,0.0
634,Stavudine,solid,J05AF,J05A,J05,J,224.2133,-0.23,40.5,-0.74,1.0,9.95,55.32,2.0,2.0,2.0,78.87,-3.0,1.0,224.079706882,0.0,21.33,4.0,0.0,1.0
635,Leucovorin,solid,V03AF,V03A,V03,V,473.446,-2.3,0.297,-3.2,0.0,3.47,126.66,3.0,7.0,9.0,215.55,2.81,0.0,473.165896109,1.0,46.33,11.0,-2.0,0.0
636,Dyphylline,solid,R03DA,R03D,R03,R,254.2426,-1.9,14.3,-1.2,1.0,13.9,62.09,2.0,2.0,3.0,98.9,-1.3,0.0,254.101504956,0.0,24.65,5.0,0.0,1.0
637,Pentazocine,solid,N02AD,N02A,N02,N,285.431,3.89,0.122,-3.4,1.0,10.42,89.8,3.0,1.0,2.0,23.47,9.57,1.0,285.209264493,0.0,33.97,2.0,1.0,1.0
638,Magnesium sulfate,solid,A06AD,A06A,A06,A,120.368,-0.84,710.0,,1.0,-3.0,11.53,0.0,0.0,0.0,80.26,,0.0,119.936771076,0.0,5.81,4.0,-2.0,1.0
639,Latanoprost,liquid,S01EE,S01E,S01,S,432.5928,3.98,0.0129,-4.5,1.0,14.47,124.34,2.0,3.0,14.0,86.99,-2.7,0.0,432.28757439,0.0,50.9,4.0,0.0,1.0
640,Estrone,solid,G03CC,G03C,G03,G,270.3661,4.31,0.00394,-4.8,1.0,10.33,79.08,4.0,1.0,0.0,37.3,-5.4,1.0,270.161979948,0.0,31.24,2.0,0.0,1.0
641,Trazodone,solid,N06AX,N06A,N06,N,371.864,3.13,0.29,-3.1,1.0,,105.88,4.0,0.0,5.0,42.39,7.09,1.0,371.151288058,0.0,40.12,4.0,0.0,1.0
642,Mecamylamine,liquid,C02BB,C02B,C02,C,167.2911,2.37,0.124,-3.1,1.0,,51.83,2.0,1.0,1.0,12.03,10.88,1.0,167.167399677,0.0,20.74,1.0,1.0,1.0
643,Sevelamer,solid,V03AE,V03A,V03,V,149.619,0.68,71.8,-0.11,1.0,,20.06,1.0,0.0,2.0,12.53,-4.2,0.0,149.060741718,0.0,8.38,1.0,0.0,1.0
644,Acamprosate,solid,N07BB,N07B,N07,N,181.21,-2.8,18.8,-0.98,1.0,-0.88,38.91,0.0,2.0,4.0,83.47,-1.5,0.0,181.040878535,0.0,17.17,4.0,-1.0,1.0
646,Verapamil,solid,C09BB,C09B,C09,C,454.6016,5.04,0.00394,-5.1,0.0,,132.65,2.0,0.0,13.0,63.95,9.68,0.0,454.283157714,0.0,51.7,6.0,1.0,0.0
647,Trimethobenzamide,solid,R06AA,R06A,R06,R,388.4574,2.16,0.0398,-4.0,1.0,14.68,108.52,2.0,1.0,10.0,69.26,8.77,1.0,388.199822016,0.0,43.19,6.0,1.0,1.0
648,Flumethasone,solid,D07AB,D07A,D07,D,410.458,1.34,0.0853,-3.7,1.0,12.42,102.32,4.0,3.0,2.0,94.83,-3.3,1.0,410.190480328,0.0,41.25,5.0,0.0,1.0
649,Sulfametopyrazine,solid,G01AE,G01A,G01,G,280.303,0.23,0.406,-2.8,1.0,5.91,70.37,2.0,2.0,3.0,107.2,1.98,1.0,280.06301096,0.0,27.12,6.0,-1.0,1.0
650,Nilutamide,solid,L02BB,L02B,L02,L,317.2207,2.25,0.00419,-4.9,1.0,15.01,67.22,2.0,1.0,3.0,92.55,-4.5,1.0,317.062340438,0.0,25.92,4.0,0.0,1.0
651,Nafarelin,solid,H01CA,H01C,H01,H,1322.496,-2.7,0.0166,-4.9,0.0,9.49,357.8,8.0,17.0,33.0,472.13,11.92,0.0,1321.635625801,1.0,135.67,17.0,1.0,0.0
652,Epinephrine,solid,A01AD,A01A,A01,A,183.2044,-0.43,18.6,-0.99,1.0,9.69,49.23,1.0,4.0,3.0,72.72,8.91,0.0,183.089543287,0.0,19.04,4.0,1.0,1.0
653,Sumatriptan,solid,N02CC,N02C,N02,N,295.4,0.74,0.127,-3.4,1.0,11.24,82.08,2.0,2.0,5.0,65.2,9.54,1.0,295.135447621,0.0,32.31,3.0,1.0,1.0
654,Pirenzepine,solid,A02BX,A02B,A02,A,351.4023,0.97,0.682,-2.7,1.0,14.78,100.93,4.0,1.0,2.0,68.78,7.2,1.0,351.169524941,0.0,37.11,5.0,1.0,1.0
655,Cefixime,solid,J01DD,J01D,J01,J,453.45,-1.3,0.104,-3.6,1.0,2.54,104.91,3.0,4.0,8.0,184.51,4.07,0.0,453.041289239,1.0,41.93,10.0,-2.0,1.0
656,Chlorpropamide,solid,A10BB,A10B,A10,A,276.74,1.94,0.157,-3.2,1.0,3.33,65.43,1.0,2.0,3.0,75.27,,1.0,276.033540689,0.0,27.06,3.0,-1.0,1.0
657,Aprepitant,solid,A04AD,A04A,A04,A,534.4267,5.22,0.0194,-4.4,0.0,6.59,116.93,4.0,2.0,8.0,75.19,3.63,0.0,534.150187993,1.0,45.55,5.0,-1.0,0.0
659,Tamoxifen,solid,L02BA,L02B,L02,L,371.5146,6.35,0.00102,-5.6,1.0,,128.43,3.0,0.0,8.0,12.47,8.76,0.0,371.224914555,1.0,44.19,2.0,1.0,0.0
660,Benzyl benzoate,liquid,P03AX,P03A,P03,P,212.2439,3.7,0.0198,-4.0,1.0,,62.7,2.0,0.0,4.0,26.3,-6.9,1.0,212.083729628,0.0,22.85,1.0,0.0,1.0
662,Losartan,solid,C09CA,C09C,C09,C,422.911,5.0,0.0047,-5.0,1.0,5.85,131.85,4.0,2.0,8.0,92.51,3.85,0.0,422.162187095,1.0,44.86,5.0,-1.0,0.0
663,Thioridazine,solid,N05AC,N05A,N05,N,370.575,5.47,0.000855,-5.6,1.0,,113.52,4.0,0.0,4.0,6.48,8.93,1.0,370.153740222,0.0,43.26,2.0,1.0,0.0
664,Moricizine,solid,C01BG,C01B,C01,C,427.517,3.07,0.0339,-4.1,1.0,12.9,118.88,4.0,1.0,6.0,71.11,6.73,1.0,427.156576993,1.0,45.27,5.0,0.0,1.0
665,Amphotericin B,solid,G01AA,G01A,G01,G,924.079,-2.3,0.0819,-4.0,0.0,3.58,244.67,3.0,12.0,3.0,319.61,9.11,0.0,923.487849915,0.0,99.4,17.0,0.0,0.0
666,Warfarin,solid,B01AA,B01A,B01,B,308.3279,2.74,0.0472,-3.8,1.0,5.56,86.86,3.0,1.0,4.0,63.6,-6.9,1.0,308.104859,0.0,31.9,3.0,-1.0,1.0
667,Midazolam,solid,N05CD,N05C,N05,N,325.767,3.97,0.00987,-4.5,1.0,,99.43,4.0,0.0,1.0,30.18,6.19,1.0,325.078203343,0.0,32.71,2.0,0.0,1.0
668,Tobramycin,solid,S01AA,S01A,S01,S,467.5145,-6.5,53.7,-0.94,0.0,12.54,106.69,3.0,10.0,6.0,268.17,9.66,0.0,467.259127807,1.0,47.17,14.0,5.0,0.0
669,Trovafloxacin,solid,J01MA,J01M,J01,J,416.36,0.14,0.0704,-3.8,1.0,5.41,101.04,5.0,2.0,3.0,99.76,9.44,1.0,416.109624848,0.0,38.12,7.0,0.0,1.0
670,Pentosan polysulfate,solid,C05BA,C05B,C05,C,602.497,-11.0,3.49,-2.2,0.0,-2.9,96.38,2.0,6.0,10.0,322.55,-3.6,0.0,601.922340398,0.0,46.22,17.0,-4.0,0.0
671,Fludrocortisone,solid,S02CA,S02C,S02,S,380.4504,1.32,0.224,-3.2,1.0,12.55,96.93,4.0,3.0,2.0,94.83,-3.3,1.0,380.199902243,0.0,39.53,5.0,0.0,1.0
672,Mycophenolate mofetil,solid,,,,,433.4947,3.47,0.095,-3.7,1.0,9.76,117.1,3.0,1.0,10.0,94.53,6.19,1.0,433.210052351,1.0,45.54,6.0,0.0,1.0
674,Flurazepam,solid,N05CD,N05C,N05,N,387.878,3.95,0.01,-4.6,1.0,,107.54,3.0,0.0,6.0,35.91,8.71,1.0,387.151368285,1.0,41.2,3.0,1.0,1.0
675,Moexipril,solid,C09AA,C09A,C09,C,498.5681,1.5,0.00585,-4.9,1.0,3.46,132.88,3.0,2.0,12.0,114.4,5.2,0.0,498.236601452,1.0,53.55,7.0,-1.0,1.0
676,Phentolamine,solid,V03AB,V03A,V03,V,281.3523,2.52,0.272,-3.0,1.0,9.78,84.25,3.0,2.0,4.0,47.86,9.02,1.0,281.152812245,0.0,31.37,4.0,1.0,1.0
677,Fluorescein,solid,S01JA,S01J,S01,S,332.3063,3.88,0.0255,-4.1,1.0,8.72,91.22,5.0,2.0,0.0,75.99,-3.7,1.0,332.068473494,0.0,33.14,3.0,0.0,1.0
678,Daunorubicin,solid,L01DB,L01D,L01,L,527.5199,1.36,0.627,-2.9,0.0,8.01,132.89,5.0,5.0,4.0,185.84,10.03,0.0,527.179146153,0.0,53.7,11.0,1.0,0.0
679,Furosemide,solid,C03EB,C03E,C03,C,330.744,1.75,0.118,-3.4,1.0,4.25,77.47,2.0,3.0,5.0,122.63,-1.5,1.0,330.007719869,0.0,30.55,5.0,-1.0,1.0
680,Ergotamine,solid,N02CA,N02C,N02,N,581.6615,2.6,0.223,-3.4,1.0,9.7,160.17,8.0,3.0,4.0,118.21,7.78,0.0,581.263819255,0.0,62.23,6.0,1.0,0.0
681,Tizanidine,solid,M03BX,M03B,M03,M,253.711,2.02,0.133,-3.3,1.0,,64.77,3.0,2.0,1.0,62.2,7.49,1.0,253.018893678,0.0,23.97,5.0,1.0,1.0
682,Nitrofurantoin,solid,J01XE,J01X,J01,J,238.159,-0.22,0.415,-2.8,1.0,8.23,52.11,2.0,1.0,3.0,118.05,-2.2,1.0,238.033819309,0.0,20.49,5.0,0.0,1.0
683,Nicergoline,solid,C04AE,C04A,C04,C,484.386,3.7,0.0127,-4.6,1.0,,123.3,5.0,0.0,5.0,56.59,8.12,0.0,483.11575436,0.0,48.08,4.0,1.0,1.0
684,Eplerenone,solid,C03DA,C03D,C03,C,414.4914,2.33,0.00903,-4.7,1.0,16.44,106.68,6.0,0.0,2.0,82.2,-4.2,1.0,414.204238692,0.0,43.94,4.0,0.0,1.0
685,Amprenavir,solid,J05AE,J05A,J05,J,505.627,2.43,0.0491,-4.0,0.0,13.61,134.08,3.0,3.0,11.0,131.19,2.39,0.0,505.224656557,1.0,53.57,6.0,0.0,0.0
687,Methazolamide,solid,G01AE,G01A,G01,G,236.26,-0.59,1.74,-2.1,1.0,7.21,51.3,1.0,1.0,1.0,105.19,-6.1,0.0,236.003782482,0.0,21.11,6.0,-1.0,1.0
688,Naltrexone,solid,N02AA,N02A,N02,N,341.4009,1.27,3.07,-2.0,1.0,10.2,91.5,6.0,2.0,2.0,70.0,9.35,1.0,341.162708229,0.0,36.03,5.0,1.0,1.0
689,Delavirdine,solid,J05AG,J05A,J05,J,456.561,1.02,0.086,-3.7,1.0,9.39,126.64,4.0,3.0,5.0,110.43,6.82,1.0,456.194359482,0.0,49.99,6.0,0.0,1.0
690,Tamsulosin,solid,G04CA,G04C,G04,G,408.512,2.04,0.00655,-4.8,1.0,9.93,108.86,2.0,2.0,11.0,99.88,9.28,1.0,408.171892706,0.0,43.95,6.0,1.0,1.0
692,Sufentanil,solid,N01AH,N01A,N01,N,386.551,3.61,0.012,-4.5,1.0,,111.42,3.0,0.0,8.0,32.78,8.86,1.0,386.202798904,1.0,43.99,3.0,1.0,1.0
693,Lamivudine,solid,J05AR,J05A,J05,J,229.256,-1.1,2.76,-1.9,1.0,14.29,55.16,2.0,2.0,2.0,88.15,4.3,0.0,229.052111923,0.0,21.98,5.0,0.0,1.0
694,Ibandronate,solid,M05BA,M05B,M05,M,319.2289,-2.5,13.4,-1.4,1.0,0.66,71.16,0.0,5.0,9.0,138.53,9.93,0.0,319.094975119,0.0,29.06,8.0,-2.0,1.0
695,Diethylcarbamazine,solid,P02CB,P02C,P02,P,199.2932,0.092,236.0,0.07,1.0,,58.28,1.0,0.0,2.0,26.79,6.9,1.0,199.168462309,0.0,22.89,2.0,0.0,1.0
696,Flurbiprofen,solid,M02AA,M02A,M02,M,244.2609,3.94,0.0249,-4.0,1.0,4.42,67.29,2.0,1.0,3.0,37.3,,1.0,244.089957865,0.0,25.23,2.0,-1.0,1.0
697,Oxacillin,solid,J01CR,J01C,J01,J,401.436,1.7,0.0862,-3.7,1.0,3.75,101.83,4.0,2.0,4.0,112.74,-0.12,1.0,401.104541423,0.0,39.61,5.0,-1.0,1.0
698,Apomorphine,solid,G04BE,G04B,G04,G,267.3224,2.88,0.51,-2.7,1.0,9.26,79.99,4.0,2.0,0.0,43.7,7.72,1.0,267.125928793,0.0,29.7,3.0,1.0,1.0
699,Paroxetine,solid,N06AB,N06A,N06,N,329.3654,3.15,0.00853,-4.6,1.0,,88.02,4.0,1.0,4.0,39.72,9.77,1.0,329.142721716,0.0,34.44,4.0,1.0,1.0
700,Nedocromil,solid,R03BC,R03B,R03,R,371.3408,2.5,0.0459,-3.9,1.0,2.2,98.09,3.0,2.0,5.0,121.21,-4.2,1.0,371.100501903,0.0,37.15,8.0,-2.0,1.0
701,Norethisterone,solid,H01CC,H01C,H01,H,298.4192,3.22,0.00668,-4.6,1.0,17.59,87.42,4.0,1.0,0.0,37.3,-1.7,1.0,298.193280076,0.0,34.59,2.0,0.0,1.0
702,Adefovir dipivoxil,solid,J05AF,J05A,J05,J,501.4705,3.06,0.633,-2.9,0.0,18.55,119.99,2.0,1.0,15.0,166.98,3.75,0.0,501.198849537,0.0,49.01,8.0,0.0,0.0
703,Azatadine,solid,R06AX,R06A,R06,R,290.4021,3.75,0.113,-3.4,1.0,,101.53,4.0,0.0,0.0,16.13,7.91,1.0,290.178298714,0.0,34.02,2.0,1.0,1.0
704,Clodronic acid,solid,M05BA,M05B,M05,M,244.892,-0.067,7.47,-1.5,1.0,0.62,38.21,0.0,4.0,2.0,115.06,,0.0,243.886016298,0.0,15.3,6.0,-3.0,1.0
705,Procaine,solid,N01BA,N01B,N01,N,236.3101,1.88,6.81,-1.5,1.0,,70.3,1.0,1.0,7.0,55.56,8.96,1.0,236.152477894,0.0,26.81,3.0,1.0,1.0
706,Lisinopril,solid,C09BA,C09B,C09,C,405.4879,-3.1,0.216,-3.3,1.0,3.17,107.37,2.0,4.0,12.0,132.96,10.21,0.0,405.226371117,0.0,43.64,7.0,0.0,1.0
707,Methoxamine,solid,C01CA,C01C,C01,C,211.2576,0.57,9.21,-1.4,1.0,13.61,57.84,1.0,2.0,4.0,64.71,9.28,1.0,211.120843415,0.0,22.81,4.0,1.0,1.0
708,Imiquimod,solid,D06BB,D06B,D06,D,240.3036,2.65,0.247,-3.0,1.0,19.99,72.54,3.0,1.0,2.0,56.73,5.01,1.0,240.137496532,0.0,26.67,3.0,0.0,1.0
709,Homatropine methylbromide,solid,A03CB,A03C,A03,A,370.281,-2.6,0.0052,-4.8,1.0,11.99,91.72,3.0,1.0,4.0,46.53,-4.1,0.0,369.093956286,0.0,31.18,2.0,1.0,1.0
710,Trimipramine,solid,N06AA,N06A,N06,N,294.4338,4.76,0.026,-4.0,1.0,,95.02,3.0,0.0,4.0,6.48,9.42,1.0,294.209598842,0.0,35.67,2.0,1.0,1.0
711,Nitroglycerin,liquid,C01DA,C01D,C01,C,227.0865,0.26,0.204,-3.0,1.0,,37.59,0.0,0.0,8.0,157.11,-5.6,0.0,227.002578773,0.0,15.68,9.0,0.0,1.0
712,Rocuronium,solid,M03AC,M03A,M03,M,529.7742,-0.33,2.84e-05,-7.3,1.0,14.59,161.65,6.0,1.0,6.0,59.0,7.96,0.0,529.400533194,1.0,62.78,4.0,2.0,0.0
713,Thiabendazole,solid,D01AC,D01A,D01,D,201.248,2.33,0.138,-3.2,1.0,10.28,64.91,3.0,1.0,1.0,41.57,4.08,1.0,201.036067929,0.0,21.02,2.0,0.0,1.0
714,Nateglinide,solid,A10BX,A10B,A10,A,317.429,4.03,0.00848,-4.6,1.0,4.0,89.46,2.0,2.0,6.0,66.4,-1.1,1.0,317.199093733,0.0,35.55,3.0,-1.0,1.0
716,Pralidoxime,solid,V03AB,V03A,V03,V,137.1592,-3.3,0.149,-3.1,1.0,7.63,40.33,1.0,1.0,1.0,36.47,-1.1,0.0,137.07148792,0.0,14.44,2.0,1.0,1.0
717,Risperidone,solid,N05AX,N05A,N05,N,410.4845,2.63,0.171,-3.4,1.0,,114.55,5.0,0.0,4.0,61.94,8.76,1.0,410.211804333,0.0,45.28,4.0,1.0,1.0
718,Naftifine,solid,D01AE,D01A,D01,D,287.3981,5.24,0.000229,-6.1,1.0,,95.98,3.0,0.0,5.0,3.24,8.99,1.0,287.167399677,0.0,34.05,1.0,1.0,0.0
719,Esomeprazole,solid,A02BD,A02B,A02,A,345.416,2.43,0.353,-3.0,1.0,9.68,93.66,3.0,1.0,5.0,77.1,4.77,1.0,345.114712179,0.0,35.81,5.0,0.0,1.0
720,Meclizine,solid,R06AE,R06A,R06,R,390.948,6.39,0.00103,-5.6,1.0,,119.39,4.0,0.0,5.0,6.48,7.71,0.0,390.186276581,0.0,44.87,2.0,1.0,0.0
721,Pentamidine,solid,P01CX,P01C,P01,P,340.4195,2.32,0.0236,-4.2,1.0,,120.53,2.0,4.0,10.0,118.2,12.13,1.0,340.189926032,0.0,38.85,6.0,2.0,1.0
722,Hetacillin,solid,J01CA,J01C,J01,J,389.469,0.056,0.512,-2.9,1.0,3.33,99.9,4.0,2.0,3.0,89.95,4.79,1.0,389.140926929,0.0,39.46,5.0,-1.0,1.0
723,Riluzole,solid,N07XX,N07X,N07,N,234.198,3.4,0.0395,-3.8,1.0,16.44,44.37,2.0,1.0,2.0,48.14,4.57,1.0,234.007468097,0.0,18.59,3.0,0.0,1.0
724,Hydrocortisone,solid,S01CB,S01C,S01,S,362.4599,1.28,0.199,-3.3,1.0,12.59,97.4,4.0,3.0,2.0,94.83,-2.8,1.0,362.20932407,0.0,39.45,5.0,0.0,1.0
725,Mannitol,solid,B05CX,B05C,B05,B,182.1718,-3.7,229.0,0.1,1.0,12.59,38.4,0.0,6.0,5.0,121.38,-3.0,0.0,182.07903818,0.0,17.04,6.0,0.0,0.0
726,Gadobenic acid,solid,V08CA,V08C,V08,V,667.73,-4.1,0.768,-3.0,0.0,0.085,154.36,1.0,2.0,20.0,213.94,9.58,0.0,668.09649,0.0,48.32,14.0,-3.0,0.0
728,Modafinil,solid,N06BA,N06B,N06,N,273.35,1.53,0.622,-2.6,1.0,8.84,77.39,2.0,1.0,5.0,60.16,-4.4,1.0,273.082349419,0.0,28.71,2.0,0.0,1.0
729,Deferoxamine,solid,V03AC,V03A,V03,V,560.684,-3.4,0.099,-3.8,0.0,7.92,144.95,0.0,6.0,23.0,205.84,10.23,0.0,560.353362542,0.0,62.42,9.0,1.0,0.0
730,Scopolamine,solid,N05CM,N05C,N05,N,303.3529,0.89,6.61,-1.7,1.0,15.15,79.72,4.0,1.0,5.0,62.3,6.95,1.0,303.147058165,0.0,31.2,4.0,0.0,1.0
731,Carbinoxamine,liquid,R06AA,R06A,R06,R,290.788,3.27,0.228,-3.1,1.0,,82.13,2.0,0.0,6.0,25.36,8.87,1.0,290.118590947,0.0,31.7,3.0,1.0,1.0
732,Etodolac,solid,M01AB,M01A,M01,M,287.3535,3.44,0.0392,-3.9,1.0,4.73,81.16,3.0,2.0,4.0,62.32,-4.2,1.0,287.152143543,0.0,31.94,3.0,-1.0,1.0
733,Prilocaine,solid,N01BB,N01B,N01,N,220.3107,2.68,0.326,-2.8,1.0,13.51,67.86,1.0,2.0,5.0,41.13,8.82,1.0,220.157563272,0.0,25.98,2.0,1.0,1.0
734,Epinastine,solid,S01GX,S01G,S01,S,249.3104,3.07,0.163,-3.2,1.0,,76.9,4.0,1.0,0.0,41.62,8.77,1.0,249.126597495,0.0,27.33,3.0,1.0,1.0
735,Tranylcypromine,solid,N06AF,N06A,N06,N,133.194,1.34,1.49,-2.0,1.0,,41.7,2.0,1.0,1.0,26.02,9.62,0.0,133.089149358,0.0,15.51,1.0,1.0,1.0
736,Isoflurane,liquid,N01AB,N01A,N01,N,184.492,2.84,3.56,-1.7,1.0,,23.04,0.0,0.0,3.0,9.23,-4.7,0.0,183.971433418,0.0,9.73,1.0,0.0,1.0
737,Ethotoin,solid,N03AB,N03A,N03,N,204.2252,1.07,2.38,-1.9,1.0,11.18,55.05,2.0,1.0,2.0,49.41,-8.4,1.0,204.089877638,0.0,20.99,2.0,0.0,1.0
738,Tretinoin,solid,L01XF,L01X,L01,L,300.442,5.01,0.00477,-4.8,1.0,4.76,97.79,1.0,1.0,5.0,37.3,,1.0,300.208930142,0.0,36.85,2.0,-1.0,0.0
739,Hexachlorophene,liquid,D08AE,D08A,D08,D,406.904,7.08,0.000433,-6.0,1.0,5.15,88.59,2.0,2.0,2.0,40.46,-7.4,0.0,403.849895678,0.0,34.29,2.0,-1.0,0.0
740,Dolasetron,solid,A04AA,A04A,A04,A,324.38,2.33,0.261,-3.1,1.0,12.18,89.34,5.0,1.0,3.0,62.4,5.68,1.0,324.147392512,0.0,35.02,3.0,0.0,1.0
741,Clopidogrel,solid,B01AC,B01A,B01,B,321.822,4.03,0.0118,-4.4,1.0,,84.93,3.0,0.0,4.0,29.54,4.77,1.0,321.059027158,0.0,33.19,2.0,0.0,1.0
742,Tetracycline,solid,S02AA,S02A,S02,S,444.4346,-3.5,1.33,-2.5,1.0,3.26,114.19,4.0,6.0,2.0,181.62,9.25,0.0,444.153265754,0.0,42.9,9.0,-1.0,0.0
743,Meropenem,solid,J01DH,J01D,J01,J,383.463,-4.4,5.63,-1.8,1.0,3.28,97.89,3.0,3.0,5.0,110.18,9.39,0.0,383.151491615,0.0,39.32,6.0,0.0,1.0
744,Potassium chloride,solid,A12BA,A12B,A12,A,74.551,0.2,91.5,0.09,1.0,3.09,0.0,0.0,0.0,0.0,0.0,,0.0,73.932559568,0.0,1.78,0.0,1.0,1.0
745,Irinotecan,solid,L01CE,L01C,L01,L,586.678,2.78,0.107,-3.7,1.0,11.71,161.33,7.0,1.0,5.0,112.51,9.47,0.0,586.279134968,0.0,65.27,6.0,1.0,0.0
746,Methimazole,solid,H03BB,H03B,H03,H,114.169,0.75,11.3,-1.0,1.0,10.41,33.23,1.0,1.0,0.0,15.27,,0.0,114.025168892,0.0,11.64,0.0,0.0,1.0
747,Mometasone,solid,R03AL,R03A,R03,R,427.361,3.5,0.00523,-4.9,1.0,12.49,110.29,4.0,2.0,2.0,74.6,-3.3,1.0,426.136464798,0.0,43.82,4.0,0.0,1.0
748,Metyrosine,solid,C02KB,C02K,C02,C,195.2151,-1.1,2.48,-1.9,1.0,2.06,51.81,1.0,3.0,3.0,83.55,9.93,0.0,195.089543287,0.0,19.67,4.0,0.0,1.0
749,Clavulanic acid,solid,,,,,199.1608,-1.5,337.0,0.23,1.0,3.32,44.25,2.0,2.0,2.0,87.07,-2.6,0.0,199.048072403,0.0,18.13,5.0,-1.0,1.0
751,Olopatadine,solid,S01GX,S01G,S01,S,337.4122,0.75,0.0313,-4.0,1.0,3.78,109.55,3.0,1.0,5.0,49.77,9.76,1.0,337.167793607,0.0,37.44,4.0,0.0,1.0
753,Alprostadil,solid,C01EA,C01E,C01,C,354.487,3.59,0.0788,-3.6,1.0,4.35,98.32,1.0,3.0,13.0,94.83,-1.6,1.0,354.240624195,0.0,42.13,5.0,-1.0,1.0
754,Clidinium,solid,A03CA,A03C,A03,A,352.4467,-1.1,0.000377,-6.0,1.0,11.05,112.14,4.0,1.0,5.0,46.53,-4.5,0.0,352.191268703,0.0,38.79,2.0,1.0,1.0
755,Malathion,liquid,P03AX,P03A,P03,P,330.358,1.86,0.165,-3.3,1.0,,78.18,0.0,0.0,11.0,71.06,-6.8,1.0,330.036066232,0.0,31.66,2.0,0.0,1.0
756,Etoposide,solid,L01CB,L01C,L01,L,588.5566,1.16,0.978,-2.8,0.0,9.33,139.02,7.0,3.0,5.0,160.83,-3.7,0.0,588.18429111,0.0,57.95,12.0,0.0,0.0
757,Hydroflumethiazide,solid,C03AA,C03A,C03,C,331.292,-0.3,0.858,-2.6,1.0,9.07,64.28,2.0,3.0,2.0,118.36,-2.7,1.0,330.990831754,0.0,25.68,5.0,0.0,1.0
758,Tirofiban,solid,B01AC,B01A,B01,B,440.597,0.6,0.00317,-5.1,1.0,3.17,117.48,2.0,3.0,13.0,104.73,10.21,1.0,440.234492962,0.0,49.27,6.0,0.0,1.0
759,Oxcarbazepine,solid,N03AF,N03A,N03,N,252.268,1.82,0.16,-3.2,1.0,13.18,71.56,3.0,1.0,0.0,63.4,-4.3,1.0,252.089877638,0.0,25.72,2.0,0.0,1.0
760,Propiomazine,solid,N05CM,N05C,N05,N,340.482,4.55,0.00703,-4.7,1.0,16.76,103.53,3.0,0.0,5.0,23.55,8.92,1.0,340.16093409,0.0,38.62,3.0,1.0,1.0
761,Roxithromycin,solid,J01FA,J01F,J01,J,837.0465,3.0,0.187,-3.6,0.0,12.45,211.24,3.0,5.0,13.0,216.89,9.08,0.0,836.524569772,1.0,91.83,16.0,1.0,0.0
762,Nalidixic acid,solid,J01MB,J01M,J01,J,232.2353,0.79,2.3,-2.0,1.0,4.37,62.82,2.0,1.0,2.0,70.5,6.06,1.0,232.08479226,0.0,23.65,5.0,-1.0,1.0
763,Phenelzine,liquid,N06AF,N06A,N06,N,136.1943,1.2,11.1,-1.1,1.0,,54.26,1.0,2.0,3.0,38.05,5.55,0.0,136.100048394,0.0,15.8,2.0,0.0,1.0
764,Propantheline,solid,A03AB,A03A,A03,A,368.4892,0.36,7.22e-05,-6.8,1.0,17.63,119.25,3.0,0.0,7.0,35.53,-3.7,1.0,368.222568831,1.0,40.87,1.0,1.0,1.0
765,Estradiol,solid,G03FA,G03F,G03,G,272.382,3.75,0.0213,-4.1,1.0,10.33,79.9,4.0,2.0,0.0,40.46,-0.88,1.0,272.177630012,0.0,32.12,2.0,0.0,1.0
766,Mefenamic acid,solid,M01AG,M01A,M01,M,241.2851,5.4,0.0137,-4.2,1.0,3.89,71.88,2.0,2.0,3.0,49.33,-1.6,1.0,241.110278729,0.0,26.22,3.0,-1.0,0.0
769,Acyclovir,solid,J05AB,J05A,J05,J,225.2046,-1.0,9.08,-1.4,1.0,11.98,54.63,2.0,3.0,4.0,114.76,3.02,0.0,225.086189243,0.0,21.51,7.0,0.0,1.0
770,Naproxen,solid,G02CC,G02C,G02,G,230.2592,2.99,0.0511,-3.6,1.0,4.19,64.85,2.0,1.0,3.0,46.53,-4.8,1.0,230.094294314,0.0,24.81,3.0,-1.0,1.0
771,Gadopentetic acid,solid,V08CA,V08C,V08,V,547.58,-6.3,7.86,-1.9,0.0,1.95,118.96,0.0,2.0,16.0,204.71,8.82,0.0,548.03898,0.0,35.24,13.0,-3.0,0.0
772,Perindopril,solid,C09BX,C09B,C09,C,368.4678,0.63,1.22,-2.5,1.0,3.79,95.69,2.0,2.0,9.0,95.94,5.48,1.0,368.231122144,0.0,39.99,5.0,-1.0,1.0
773,Uracil mustard,solid,L01AD,L01A,L01,L,252.098,0.41,1.32,-2.3,1.0,8.76,58.35,1.0,2.0,5.0,61.44,-4.4,1.0,251.022832025,0.0,23.08,3.0,0.0,1.0
774,Tripelennamine,solid,R06AC,R06A,R06,R,255.358,3.2,2.84,-2.0,1.0,,81.27,2.0,0.0,6.0,19.37,8.76,1.0,255.173547687,0.0,29.86,3.0,1.0,1.0
775,Haloprogin,solid,D01AE,D01A,D01,D,361.391,4.85,0.00601,-4.8,1.0,,66.88,1.0,0.0,3.0,9.23,-5.0,0.0,359.837241291,0.0,26.82,1.0,0.0,1.0
776,Primidone,solid,N05CB,N05C,N05,N,218.2518,1.12,1.04,-2.3,1.0,11.5,59.04,2.0,2.0,2.0,58.2,-6.2,1.0,218.105527702,0.0,22.44,2.0,0.0,1.0
777,Sulfasalazine,solid,G01AE,G01A,G01,G,398.393,4.25,0.0464,-3.9,1.0,3.23,104.6,3.0,3.0,5.0,141.31,0.55,1.0,398.068490268,0.0,39.69,8.0,-2.0,1.0
779,Tolazoline,solid,M02AX,M02A,M02,M,160.2157,1.2,1.36,-2.1,1.0,,49.07,2.0,1.0,2.0,24.39,10.25,1.0,160.100048394,0.0,17.94,2.0,1.0,1.0
780,Gentamicin,solid,S01AA,S01A,S01,S,1390.728,-3.1,12.6,-1.6,0.0,12.55,118.02,9.0,8.0,19.0,199.73,10.12,0.0,1389.901796041,1.0,51.52,12.0,5.0,0.0
781,Tazarotene,solid,D05AX,D05A,D05,D,351.462,5.22,0.00075,-5.7,1.0,,97.88,3.0,0.0,5.0,39.19,1.23,1.0,351.129299611,0.0,40.31,2.0,0.0,0.0
782,Fenoldopam,solid,C01CA,C01C,C01,C,305.756,1.92,0.272,-3.0,1.0,8.12,82.68,3.0,4.0,1.0,72.72,10.4,1.0,305.08187109,0.0,30.89,4.0,1.0,1.0
783,Halazepam,solid,N05BA,N05B,N05,N,352.738,4.03,0.0017,-5.3,1.0,18.88,85.26,3.0,0.0,3.0,32.67,2.33,1.0,352.059025338,0.0,31.8,2.0,0.0,1.0
784,Alfentanil,solid,N01AH,N01A,N01,N,416.5172,2.81,0.252,-3.2,1.0,,118.59,3.0,0.0,9.0,81.05,7.5,1.0,416.25358892,1.0,45.56,6.0,1.0,1.0
785,Colistin,solid,J01XB,J01X,J01,J,1155.455,-8.1,0.238,-3.7,0.0,11.6,297.67,1.0,18.0,28.0,490.66,10.23,0.0,1154.74992728,0.0,123.32,18.0,5.0,0.0
786,Dicyclomine,solid,A03AA,A03A,A03,A,309.4867,4.93,0.00327,-5.0,1.0,,91.78,2.0,0.0,8.0,29.54,8.96,1.0,309.266779369,0.0,37.52,2.0,1.0,1.0
787,Minaprine,solid,N06AX,N06A,N06,N,298.3828,2.19,0.0701,-3.6,1.0,19.25,91.17,3.0,1.0,5.0,50.28,6.28,1.0,298.179361346,0.0,33.82,5.0,0.0,1.0
788,Pentoxifylline,solid,C04AD,C04A,C04,C,278.307,0.23,77000.0,,1.0,19.64,73.52,2.0,0.0,5.0,75.51,-1.2,1.0,278.137890462,0.0,29.27,4.0,0.0,1.0
789,Proparacaine,solid,S01HA,S01H,S01,S,294.3892,2.6,1.39,-2.3,1.0,,86.04,1.0,1.0,10.0,64.79,8.96,1.0,294.194342708,0.0,34.0,4.0,1.0,1.0
790,Indapamide,solid,C03BA,C03B,C03,C,365.835,2.64,0.0342,-4.0,1.0,8.85,103.31,3.0,2.0,3.0,92.5,0.097,1.0,365.06008979,0.0,36.34,4.0,0.0,1.0
791,Tropicamide,solid,S01FA,S01F,S01,S,284.3529,1.38,0.375,-2.9,1.0,15.18,82.53,2.0,1.0,6.0,53.43,5.02,1.0,284.152477894,0.0,29.78,3.0,0.0,1.0
792,Biperiden,solid,N04AA,N04A,N04,N,311.4611,3.54,0.00426,-4.9,1.0,13.82,97.02,4.0,1.0,5.0,23.47,9.3,1.0,311.224914555,0.0,36.88,2.0,1.0,1.0
793,Ribavirin,solid,J05AP,J05A,J05,J,244.2047,-2.8,33.2,-0.87,1.0,11.88,64.57,2.0,4.0,3.0,143.72,-1.2,0.0,244.080769514,0.0,22.18,7.0,0.0,1.0
794,Phenylbutazone,solid,M01BA,M01B,M01,M,308.3743,4.14,0.144,-3.3,1.0,5.0,88.76,3.0,0.0,5.0,40.62,,1.0,308.152477894,0.0,34.11,2.0,-1.0,1.0
795,Fentanyl,solid,N01AH,N01A,N01,N,336.4705,3.82,0.024,-4.2,1.0,,103.48,3.0,0.0,6.0,23.55,8.77,1.0,336.220163528,1.0,39.89,2.0,1.0,1.0
796,Meloxicam,solid,N01BB,N01B,N01,N,351.401,1.6,0.154,-3.4,1.0,4.47,88.62,3.0,2.0,2.0,99.6,0.47,1.0,351.034747299,0.0,34.25,5.0,-1.0,1.0
798,Orciprenaline,solid,R03AB,R03A,R03,R,211.2576,0.21,6.92,-1.5,1.0,8.84,58.4,1.0,4.0,4.0,72.72,9.7,1.0,211.120843415,0.0,23.12,4.0,1.0,1.0
799,Rosoxacin,solid,J01MB,J01M,J01,J,294.3047,1.89,0.102,-3.5,1.0,6.0,83.06,3.0,1.0,3.0,70.5,4.89,1.0,294.100442324,0.0,30.8,5.0,-1.0,1.0
800,Propofol,liquid,N01AX,N01A,N01,N,178.2707,4.16,0.158,-3.0,1.0,10.98,56.42,1.0,1.0,2.0,20.23,-5.0,1.0,178.135765198,0.0,21.61,1.0,0.0,1.0
801,Acetazolamide,solid,G01AE,G01A,G01,G,222.245,-1.0,2.79,-1.9,1.0,6.55,47.36,1.0,2.0,2.0,115.04,-3.3,0.0,221.988131458,0.0,19.16,5.0,-1.0,1.0
802,Tadalafil,solid,G04BE,G04B,G04,G,389.404,1.64,0.25,-3.2,1.0,15.17,104.08,6.0,1.0,1.0,74.87,-4.2,1.0,389.137556111,0.0,40.92,4.0,0.0,1.0
804,Disulfiram,solid,P03AA,P03A,P03,P,296.539,4.16,0.0126,-4.4,1.0,,88.24,0.0,0.0,7.0,6.48,,1.0,296.05093141,0.0,31.6,0.0,0.0,1.0
808,Natamycin,solid,G01AA,G01A,G01,G,665.733,-1.7,0.278,-3.4,0.0,3.58,169.88,4.0,7.0,3.0,230.99,9.11,0.0,665.304740577,0.0,68.58,13.0,0.0,0.0
809,Cinoxacin,solid,J01MB,J01M,J01,J,262.2182,1.72,0.961,-2.4,1.0,4.93,73.6,3.0,1.0,2.0,88.43,-4.7,1.0,262.05897144,0.0,24.72,7.0,-1.0,1.0
810,Fosfomycin,solid,J01XX,J01X,J01,J,138.059,-0.74,46.9,-0.47,1.0,1.25,25.87,1.0,2.0,1.0,70.06,-4.3,0.0,138.008195224,0.0,10.8,4.0,-1.0,1.0
811,Diazepam,solid,N05BA,N05B,N05,N,284.74,3.08,0.0122,-4.4,1.0,,79.81,3.0,0.0,1.0,32.67,2.92,1.0,284.071640755,0.0,29.39,2.0,0.0,1.0
813,Trifluoperazine,solid,N05AB,N05A,N05,N,407.496,4.66,0.00876,-4.7,1.0,,110.98,4.0,0.0,5.0,9.72,7.99,1.0,407.164303088,0.0,41.94,3.0,1.0,1.0
814,Phensuximide,solid,N03AD,N03A,N03,N,189.2105,0.91,2.21,-1.9,1.0,19.4,51.85,2.0,0.0,1.0,37.38,-7.4,1.0,189.078978601,0.0,19.66,2.0,0.0,1.0
815,Cefaclor,solid,J01DC,J01D,J01,J,367.807,-2.3,0.21,-3.2,1.0,2.83,89.56,3.0,3.0,4.0,112.73,7.23,0.0,367.039354348,0.0,35.11,5.0,0.0,1.0
816,Mifepristone,solid,G03XB,G03X,G03,G,429.5937,5.13,0.00336,-5.1,1.0,12.87,132.58,5.0,1.0,3.0,40.54,4.89,0.0,429.266779369,0.0,50.69,3.0,0.0,0.0
817,Brompheniramine,liquid,R06AB,R06A,R06,R,319.239,3.75,0.0127,-4.4,1.0,,83.67,2.0,0.0,5.0,16.13,9.48,1.0,318.073161265,0.0,32.08,2.0,1.0,1.0
818,Loperamide,solid,A07DA,A07D,A07,A,477.038,4.77,0.00086,-5.7,1.0,13.96,139.32,4.0,1.0,7.0,43.78,9.41,0.0,476.223056017,1.0,52.59,3.0,1.0,1.0
819,Progabide,solid,N03AG,N03A,N03,N,334.78,1.47,70.9,,1.0,-1.1,98.89,2.0,3.0,6.0,76.67,12.0,1.0,334.0884336,0.0,33.53,4.0,0.0,1.0
820,Clocortolone,solid,D07AB,D07A,D07,D,410.907,2.47,0.015,-4.4,1.0,13.54,105.74,4.0,2.0,2.0,74.6,-3.3,1.0,410.166015296,0.0,41.8,4.0,0.0,1.0
821,Tolazamide,solid,A10BB,A10B,A10,A,311.4,1.91,0.308,-3.0,1.0,4.07,81.34,2.0,2.0,2.0,78.51,1.61,1.0,311.130362243,0.0,32.82,4.0,-1.0,1.0
823,Dobutamine,solid,C01CA,C01C,C01,C,301.3801,2.62,0.0137,-4.3,1.0,10.14,88.39,2.0,4.0,7.0,72.72,9.27,1.0,301.167793607,0.0,34.44,4.0,1.0,1.0
824,Oxazepam,solid,N05BA,N05B,N05,N,286.713,2.92,0.0881,-3.5,1.0,10.61,77.89,3.0,2.0,1.0,61.69,-1.5,1.0,286.050905313,0.0,28.38,3.0,0.0,1.0
825,Donepezil,solid,N06DA,N06D,N06,N,379.492,4.21,0.0045,-4.9,1.0,16.78,112.11,4.0,0.0,6.0,38.77,9.12,1.0,379.214743799,1.0,44.34,4.0,1.0,1.0
826,Nalbuphine,solid,N02AF,N02A,N02,N,357.4434,1.19,2.09,-2.2,1.0,10.39,97.0,6.0,3.0,2.0,73.16,9.62,1.0,357.194008357,0.0,38.56,5.0,1.0,1.0
827,Clofazimine,solid,J04BA,J04B,J04,J,473.396,7.3,0.00151,-5.5,1.0,16.15,142.55,5.0,1.0,4.0,39.99,6.63,0.0,472.122152138,0.0,51.52,4.0,0.0,0.0
828,Flurandrenolide,solid,D07CC,D07C,D07,D,436.5136,1.56,0.0578,-3.9,1.0,13.74,110.79,5.0,2.0,2.0,93.06,-2.8,1.0,436.226116993,0.0,45.51,6.0,0.0,1.0
829,Cysteamine,solid,A16AA,A16A,A16,A,77.149,-0.42,23.5,-0.52,1.0,9.42,22.39,0.0,2.0,1.0,26.02,10.4,0.0,77.029919919,0.0,8.65,1.0,1.0,1.0
830,Levamisole,solid,P02CE,P02C,P02,P,204.291,2.36,1.44,-2.2,1.0,,60.08,3.0,0.0,1.0,15.6,6.98,1.0,204.072119084,0.0,22.35,2.0,0.0,1.0
831,Methylphenobarbital,solid,N03AA,N03A,N03,N,246.2619,1.63,0.71,-2.5,1.0,7.4,64.64,2.0,1.0,2.0,66.48,,1.0,246.100442324,0.0,24.62,3.0,-1.0,1.0
832,Perphenazine,solid,N05AB,N05A,N05,N,403.969,3.69,0.0237,-4.2,1.0,15.59,116.1,4.0,1.0,6.0,29.95,7.81,1.0,403.148510866,1.0,44.77,4.0,1.0,1.0
833,Dacarbazine,solid,L01AX,L01A,L01,L,182.187,-0.43,1.36,-2.1,1.0,6.64,49.71,1.0,2.0,3.0,99.73,1.72,0.0,182.091608966,0.0,17.78,5.0,-1.0,1.0
834,Pseudoephedrine,solid,R01BA,R01B,R01,R,165.2322,1.32,8.26,-1.3,1.0,13.89,49.69,1.0,2.0,3.0,32.26,9.52,1.0,165.115364107,0.0,18.83,2.0,1.0,1.0
835,Temozolomide,solid,L01AX,L01A,L01,L,194.1508,-0.28,5.09,,1.0,10.46,47.86,2.0,1.0,1.0,105.94,-3.6,1.0,194.055223466,0.0,16.88,5.0,0.0,1.0
837,Aminolevulinic acid,solid,L01XD,L01X,L01,L,131.1299,-3.3,173.0,0.12,1.0,4.05,30.45,0.0,2.0,4.0,80.39,7.84,0.0,131.058243159,0.0,12.55,4.0,0.0,1.0
838,Chlorphenesin,solid,D01AE,D01A,D01,D,202.635,1.1,10.4,-1.3,1.0,13.62,49.58,1.0,2.0,4.0,49.69,-3.0,1.0,202.039671925,0.0,20.1,3.0,0.0,1.0
839,Terbinafine,solid,D01AE,D01A,D01,D,291.4299,5.53,0.000738,-5.6,1.0,,98.08,2.0,0.0,6.0,3.24,8.86,1.0,291.198699805,0.0,35.84,1.0,1.0,0.0
841,Penicillamine,solid,M01CC,M01C,M01,M,149.211,-2.1,4.65,-1.5,1.0,2.56,37.22,0.0,3.0,2.0,63.32,9.09,0.0,149.051049291,0.0,14.76,3.0,0.0,1.0
842,Prednisolone,solid,D07AA,D07A,D07,D,360.444,1.27,0.239,-3.2,1.0,12.59,98.49,4.0,3.0,2.0,94.83,-2.9,1.0,360.193674006,0.0,38.69,5.0,0.0,1.0
843,Diflunisal,solid,N02BA,N02B,N02,N,250.1976,3.91,0.0711,-3.6,1.0,2.69,60.86,2.0,2.0,2.0,57.53,-6.3,1.0,250.044150532,0.0,22.29,3.0,-1.0,1.0
844,Vardenafil,solid,G04BE,G04B,G04,G,488.603,1.43,0.325,-3.2,1.0,11.75,142.71,4.0,1.0,7.0,109.13,6.21,0.0,488.220574232,1.0,53.22,8.0,0.0,1.0
845,Ranitidine,solid,A02BA,A02B,A02,A,314.4,0.99,0.0795,-3.6,1.0,,94.15,1.0,2.0,10.0,83.58,7.8,1.0,314.141261758,0.0,33.78,5.0,1.0,1.0
846,Tacrolimus,solid,D11AH,D11A,D11,D,804.0182,5.59,0.00402,-5.3,0.0,9.96,215.62,4.0,3.0,7.0,178.36,-2.9,0.0,803.481976677,1.0,87.9,11.0,0.0,0.0
848,Alprenolol,solid,C07AA,C07A,C07,C,249.3486,2.69,0.188,-3.1,1.0,14.09,74.66,1.0,2.0,8.0,41.49,9.67,1.0,249.172878985,0.0,29.38,3.0,1.0,1.0
849,Ritodrine,solid,G02CA,G02C,G02,G,287.359,1.82,0.179,-3.2,1.0,9.15,83.02,2.0,4.0,6.0,72.72,9.81,1.0,287.15214354,0.0,31.9,4.0,1.0,1.0
850,Benzonatate,liquid,R05DB,R05D,R05,R,603.7419,2.35,0.00159,-5.6,0.0,,161.54,1.0,1.0,33.0,121.4,3.47,0.0,603.361861543,0.0,67.87,11.0,0.0,0.0
851,Dorzolamide,solid,G01AE,G01A,G01,G,324.44,-0.12,0.699,-2.7,1.0,8.16,72.46,2.0,2.0,3.0,106.33,6.88,1.0,324.02721908,0.0,31.55,5.0,0.0,1.0
852,Suprofen,solid,M01AE,M01A,M01,M,260.308,3.53,0.0422,-3.8,1.0,4.01,69.41,2.0,1.0,4.0,54.37,-7.8,1.0,260.05071494,0.0,26.84,3.0,-1.0,1.0
853,Terbutaline,solid,R03CC,R03C,R03,R,225.2842,0.44,1.0,,1.0,8.86,63.04,1.0,4.0,4.0,72.72,9.76,1.0,225.136493479,0.0,24.78,4.0,1.0,1.0
854,Conivaptan,solid,C03XA,C03X,C03,C,498.5744,5.44,0.00175,-5.5,1.0,13.53,150.83,6.0,2.0,4.0,78.09,6.23,0.0,498.205576096,0.0,55.51,3.0,0.0,0.0
856,Guaifenesin,solid,R05CA,R05C,R05,R,198.2158,0.34,14.9,-1.1,1.0,13.62,51.24,1.0,2.0,5.0,58.92,-3.0,1.0,198.089208936,0.0,20.59,4.0,0.0,1.0
857,Flupentixol,solid,N05AF,N05A,N05,N,434.52,4.5,0.00399,-5.0,1.0,15.59,128.17,4.0,1.0,6.0,26.71,8.43,1.0,434.163969096,1.0,44.79,3.0,1.0,1.0
858,Eprosartan,solid,C09DA,C09D,C09,C,424.513,3.75,0.00866,-4.7,1.0,3.47,117.02,3.0,2.0,10.0,92.42,6.67,1.0,424.145677956,1.0,45.37,5.0,-2.0,1.0
859,Sirolimus,solid,S01XA,S01X,S01,S,914.187,7.45,0.00173,-5.7,0.0,9.96,250.66,4.0,3.0,6.0,195.43,-3.0,0.0,913.555141608,1.0,101.74,12.0,0.0,0.0
860,Chlorhexidine,solid,R02AA,R02A,R02,R,505.447,4.51,0.0261,-4.3,0.0,,181.71,2.0,10.0,9.0,167.58,10.52,0.0,504.203196424,0.0,54.58,10.0,4.0,0.0
861,Emtricitabine,solid,J05AR,J05A,J05,J,247.247,0.082,0.268,-3.0,1.0,5.47,66.78,2.0,3.0,2.0,89.14,0.56,1.0,247.042690096,0.0,22.15,6.0,0.0,1.0
862,Chlorothiazide,solid,C03AB,C03A,C03,C,295.723,-0.44,0.398,-2.9,1.0,9.19,62.51,2.0,2.0,1.0,118.69,-4.2,0.0,294.948824782,0.0,24.55,6.0,0.0,1.0
863,Quinapril,solid,C09AA,C09A,C09,C,438.5161,1.96,0.0085,-4.7,1.0,3.7,119.96,3.0,2.0,10.0,95.94,5.2,1.0,438.21547208,1.0,47.36,5.0,-1.0,1.0
864,Clomifene,solid,G03GB,G03G,G03,G,405.96,6.47,0.000414,-6.0,1.0,,133.76,3.0,0.0,9.0,12.47,9.31,0.0,405.18594223,1.0,46.72,2.0,1.0,0.0
865,Isosorbide dinitrate,solid,C01DA,C01D,C01,C,236.1363,-0.0096,0.938,-2.4,1.0,,42.76,2.0,0.0,4.0,123.2,-4.2,1.0,236.028065242,0.0,18.15,8.0,0.0,1.0
866,Risedronic acid,solid,M05BB,M05B,M05,M,283.1123,-3.3,10.4,-1.4,1.0,0.68,57.12,1.0,5.0,4.0,148.18,4.91,0.0,283.001074735,0.0,21.91,8.0,-3.0,1.0
869,Bumetanide,solid,G01AE,G01A,G01,G,364.416,2.42,0.0257,-4.2,1.0,4.69,95.78,2.0,3.0,8.0,118.72,2.7,1.0,364.10929245,0.0,37.21,5.0,-1.0,1.0
870,Mechlorethamine,solid,L01AA,L01A,L01,L,156.054,1.52,33.4,-0.67,1.0,,38.67,0.0,0.0,4.0,3.24,6.08,0.0,155.026854771,0.0,15.84,1.0,0.0,1.0
871,Granisetron,solid,A04AA,A04A,A04,A,312.417,1.88,0.434,-2.9,1.0,14.75,101.83,4.0,1.0,2.0,50.16,9.0,1.0,312.195011409,0.0,35.57,3.0,1.0,1.0
872,Dienestrol,solid,G03CB,G03C,G03,G,266.34,4.83,0.0123,-4.3,1.0,9.1,84.36,2.0,2.0,3.0,40.46,-6.0,1.0,266.13067982,0.0,30.27,2.0,0.0,1.0
873,Sulfapyridine,solid,G01AE,G01A,G01,G,249.289,1.01,0.235,-3.0,1.0,6.24,65.75,2.0,2.0,2.0,85.08,2.14,1.0,249.057197301,0.0,24.97,4.0,-1.0,1.0
874,Oxybuprocaine,solid,S01HA,S01H,S01,S,308.4158,3.05,0.544,-2.8,1.0,19.76,90.64,1.0,1.0,11.0,64.79,8.96,1.0,308.209992772,0.0,35.83,4.0,1.0,1.0
877,Benzylpenicilloyl polylysine,solid,J01CR,J01C,J01,J,626.765,-3.8,0.0658,-3.9,0.0,2.04,122.22,2.0,6.0,17.0,170.85,9.53,0.0,626.309783168,0.0,50.31,8.0,0.0,0.0
878,Rimexolone,solid,H02AB,H02A,H02,H,370.533,4.38,0.0121,-4.5,1.0,18.76,109.07,4.0,1.0,2.0,54.37,-0.21,1.0,370.250794955,0.0,42.91,3.0,0.0,1.0
879,Triazolam,solid,N05CD,N05C,N05,N,343.21,3.63,0.0183,-4.3,1.0,17.98,103.68,4.0,0.0,1.0,43.07,4.26,1.0,342.043901818,0.0,34.19,3.0,0.0,1.0
880,Ethanol,liquid,V03AB,V03A,V03,V,46.0684,-0.16,579.0,1.1,1.0,16.47,13.01,0.0,1.0,0.0,20.23,-2.2,0.0,46.041864814,0.0,5.3,1.0,0.0,1.0
881,Remifentanil,solid,N01AH,N01A,N01,N,376.4467,1.52,0.591,-2.8,1.0,,100.56,2.0,0.0,9.0,76.15,7.51,1.0,376.199822016,0.0,40.35,4.0,1.0,1.0
882,Didanosine,solid,J05AF,J05A,J05,J,236.2273,-0.35,6.58,-1.6,1.0,10.94,58.59,3.0,2.0,2.0,88.74,2.76,1.0,236.09094027,0.0,22.93,6.0,0.0,1.0
883,Bitolterol,solid,R03AC,R03A,R03,R,461.5494,6.3,0.00048,-6.0,1.0,14.0,132.76,3.0,2.0,10.0,84.86,9.59,0.0,461.220223107,1.0,52.07,4.0,1.0,0.0
884,Methdilazine,solid,R06AD,R06A,R06,R,296.43,3.94,0.0147,-4.3,1.0,,91.64,4.0,0.0,2.0,6.48,8.81,1.0,296.13471934,0.0,33.37,2.0,1.0,1.0
885,Etacrynic acid,solid,C03CC,C03C,C03,C,303.138,3.66,0.0194,-4.2,1.0,2.8,72.22,1.0,1.0,6.0,63.6,-5.0,1.0,302.011264286,0.0,28.57,4.0,-1.0,1.0
886,Ondansetron,solid,A04AA,A04A,A04,A,293.363,2.35,0.248,-3.1,1.0,16.13,86.78,4.0,0.0,2.0,39.82,7.34,1.0,293.152812245,0.0,33.16,2.0,1.0,1.0
887,Bimatoprost,solid,S01EE,S01E,S01,S,415.5656,2.63,0.0187,-4.4,1.0,14.35,122.83,2.0,4.0,12.0,89.79,-1.3,1.0,415.272258677,0.0,48.24,4.0,0.0,1.0
888,Tiagabine,solid,N03AG,N03A,N03,N,375.548,2.6,0.0211,-4.2,1.0,4.14,115.32,3.0,1.0,6.0,40.54,9.26,1.0,375.132670429,1.0,41.7,3.0,0.0,1.0
889,Cocaine,solid,S01HA,S01H,S01,S,303.3529,2.28,5.03,-1.8,1.0,,81.16,3.0,0.0,5.0,55.84,8.85,1.0,303.147058165,0.0,32.02,3.0,1.0,1.0
890,Quinidine,solid,C01BA,C01B,C01,C,324.4168,2.51,0.334,-3.0,1.0,13.89,94.69,4.0,1.0,4.0,45.59,9.05,1.0,324.183778022,0.0,35.64,4.0,1.0,1.0
891,Zonisamide,solid,N03AX,N03A,N03,N,212.226,0.11,2.09,-2.0,1.0,9.84,50.3,2.0,1.0,2.0,86.19,-1.7,1.0,212.025562822,0.0,19.48,3.0,0.0,1.0
892,Paricalcitol,solid,H05BX,H05B,H05,H,416.6365,4.26,0.0068,-4.8,1.0,14.81,127.95,3.0,3.0,5.0,60.69,-1.0,0.0,416.329045274,0.0,51.06,3.0,0.0,1.0
893,Tinidazole,solid,J01RA,J01R,J01,J,247.272,-0.58,3.03,-1.9,1.0,,56.66,1.0,0.0,5.0,95.1,3.28,0.0,247.062676609,0.0,23.33,5.0,0.0,1.0
894,Repaglinide,solid,A10BD,A10B,A10,A,452.5857,3.95,0.00294,-5.2,1.0,3.68,131.83,3.0,2.0,10.0,78.87,4.82,0.0,452.26750765,1.0,51.49,5.0,-1.0,1.0
895,Anileridine,solid,N01AH,N01A,N01,N,352.4699,3.64,0.0124,-4.5,1.0,,106.55,3.0,1.0,7.0,55.56,8.88,1.0,352.21507815,1.0,40.98,3.0,1.0,1.0
896,Phenformin,solid,A10BA,A10B,A10,A,205.2596,0.83,0.232,-3.0,1.0,19.18,80.72,1.0,5.0,3.0,97.78,11.97,1.0,205.132745505,0.0,22.14,5.0,2.0,1.0
897,Amantadine,solid,N04BB,N04B,N04,N,151.2487,1.47,0.0846,-3.2,1.0,,45.54,3.0,1.0,0.0,26.02,10.71,0.0,151.136099549,0.0,17.92,1.0,1.0,1.0
898,Metronidazole,solid,A02BD,A02B,A02,A,171.154,-0.46,5.92,-1.5,1.0,15.41,40.22,1.0,1.0,3.0,81.19,3.03,0.0,171.064391169,0.0,15.87,4.0,0.0,1.0
899,Dinoprostone,solid,G02AD,G02A,G02,G,352.4651,3.23,0.044,-3.9,1.0,4.3,99.44,1.0,3.0,12.0,94.83,-1.6,1.0,352.224974134,0.0,41.0,5.0,-1.0,1.0
900,Almotriptan,solid,N02CC,N02C,N02,N,335.464,1.52,0.121,-3.4,1.0,17.14,94.52,3.0,1.0,5.0,56.41,9.55,1.0,335.166747749,0.0,37.01,3.0,1.0,1.0
901,Spectinomycin,solid,J01XX,J01X,J01,J,332.3496,-2.2,150.0,-0.35,1.0,8.53,75.44,3.0,5.0,2.0,129.51,9.23,0.0,332.158351132,0.0,33.39,9.0,1.0,1.0
902,Ketotifen,solid,S01GX,S01G,S01,S,309.425,3.35,0.00787,-4.6,1.0,12.67,101.73,4.0,0.0,0.0,20.31,7.75,1.0,309.118734925,0.0,34.61,2.0,1.0,1.0
903,Buprenorphine,solid,N07BC,N07B,N07,N,467.6401,3.55,0.0168,-4.4,1.0,10.42,131.76,7.0,2.0,5.0,62.16,9.63,0.0,467.303558805,0.0,53.03,5.0,1.0,1.0
904,Levosimendan,solid,C01CX,C01C,C01,C,280.2847,2.16,0.0881,-3.5,1.0,5.77,77.63,2.0,2.0,3.0,113.43,2.24,1.0,280.107259036,0.0,28.67,6.0,-1.0,1.0
905,Ceforanide,solid,J01DC,J01D,J01,J,519.554,-3.2,0.197,-3.4,1.0,2.46,139.87,4.0,4.0,10.0,193.63,8.93,0.0,519.099472819,1.0,49.27,10.0,-1.0,0.0
906,Cyclobenzaprine,solid,M03BX,M03B,M03,M,275.3874,4.61,0.00689,-4.6,1.0,,102.62,3.0,0.0,3.0,3.24,9.76,1.0,275.167399677,0.0,32.94,1.0,1.0,1.0
907,Phenoxybenzamine,solid,C04AX,C04A,C04,C,303.826,4.64,0.0103,-4.5,1.0,,88.92,2.0,0.0,8.0,12.47,7.89,1.0,303.138992038,0.0,34.09,2.0,1.0,1.0
908,Etretinate,solid,D05BB,D05B,D05,D,354.4825,6.32,0.000405,-5.9,1.0,,113.68,1.0,0.0,8.0,35.53,-4.8,0.0,354.219494826,0.0,42.98,2.0,0.0,0.0
909,Famotidine,solid,A02BA,A02B,A02,A,337.445,-2.0,0.271,-3.1,1.0,9.29,80.46,1.0,4.0,6.0,175.83,8.38,0.0,337.044934829,0.0,31.66,8.0,1.0,1.0
910,Azacitidine,solid,L01BC,L01B,L01,L,244.2047,-3.1,12.1,-1.3,1.0,12.55,52.19,2.0,4.0,2.0,140.97,1.96,0.0,244.080769514,0.0,21.5,8.0,0.0,1.0
911,Misoprostol,liquid,G02AD,G02A,G02,G,382.5341,3.86,0.0164,-4.4,1.0,14.69,107.88,1.0,2.0,14.0,83.83,-0.95,1.0,382.271924326,0.0,45.44,4.0,0.0,1.0
913,Metacycline,solid,J01AA,J01A,J01,J,442.424,-3.5,1.14,-2.6,1.0,2.88,113.67,4.0,6.0,2.0,181.62,7.44,0.0,442.137615676,0.0,41.95,9.0,0.0,0.0
914,Tipranavir,solid,J05AE,J05A,J05,J,602.664,7.14,0.000205,-6.5,0.0,5.96,154.57,4.0,2.0,11.0,105.59,-2.3,0.0,602.206227481,1.0,60.87,5.0,-1.0,0.0
915,Mesoridazine,solid,N05AC,N05A,N05,N,386.574,3.57,0.0767,-3.7,1.0,15.86,115.13,4.0,0.0,4.0,23.55,8.19,1.0,386.148654844,0.0,43.83,3.0,1.0,1.0
916,Maprotiline,solid,N06AA,N06A,N06,N,277.4033,4.37,0.00015,-6.3,1.0,,99.3,4.0,1.0,4.0,12.03,10.54,1.0,277.183049741,0.0,33.58,1.0,1.0,1.0
917,Oxymetazoline,solid,S01GA,S01G,S01,S,260.3746,3.03,,,1.0,10.91,79.8,2.0,2.0,3.0,44.62,10.15,1.0,260.1888634,0.0,30.64,3.0,1.0,1.0
918,Salicylic acid,solid,D01AE,D01A,D01,D,138.1207,1.98,11.3,-1.1,1.0,2.79,35.3,1.0,2.0,1.0,57.53,-6.3,0.0,138.031694058,0.0,12.81,3.0,-1.0,1.0
919,Diethylpropion,solid,A08AA,A08A,A08,A,205.2961,2.7,1.22,-2.2,1.0,17.67,63.88,1.0,0.0,5.0,20.31,7.44,1.0,205.146664235,0.0,24.12,2.0,1.0,1.0
920,Salmeterol,solid,R03AK,R03A,R03,R,415.5656,3.61,0.00226,-5.3,1.0,10.12,122.39,2.0,4.0,16.0,81.95,9.4,1.0,415.272258677,0.0,50.6,5.0,1.0,1.0
921,Meclofenamic acid,solid,M01AG,M01A,M01,M,296.149,6.09,0.00366,-4.9,1.0,3.79,76.45,2.0,2.0,3.0,49.33,-3.6,0.0,295.016684015,0.0,28.44,3.0,-1.0,0.0
922,Methantheline,solid,A03AB,A03A,A03,A,340.436,-0.47,0.000132,-6.4,1.0,17.63,110.42,3.0,0.0,7.0,35.53,-3.7,0.0,340.191268703,1.0,37.44,1.0,1.0,1.0
923,Hexafluronium,solid,M03AC,M03A,M03,M,502.745,-0.28,2.09e-07,-9.4,1.0,16.64,184.49,6.0,0.0,9.0,0.0,,0.0,502.333702201,1.0,60.41,0.0,2.0,0.0
925,Zalcitabine,solid,J05AF,J05A,J05,J,211.2178,-1.2,7.05,-1.5,1.0,14.67,52.24,2.0,2.0,2.0,88.15,4.48,0.0,211.095691297,0.0,20.92,5.0,0.0,1.0
926,Demecarium,solid,S01EB,S01E,S01,S,556.7797,-1.4,1.69e-05,-7.6,0.0,,185.71,2.0,0.0,17.0,59.08,,0.0,556.398856172,0.0,64.41,2.0,2.0,0.0
927,Acetylsalicylic acid,solid,B01AC,B01A,B01,B,180.1574,1.24,10.0,,1.0,3.41,44.45,1.0,1.0,3.0,63.6,-7.1,1.0,180.042258744,0.0,17.1,3.0,-1.0,1.0
928,Phenprocoumon,solid,B01AA,B01A,B01,B,280.3178,3.74,0.0486,-3.8,1.0,5.67,81.64,3.0,1.0,3.0,46.53,-6.9,1.0,280.109944378,0.0,29.95,2.0,-1.0,1.0
929,Fulvestrant,solid,L02BA,L02B,L02,L,606.78,7.57,0.00672,-5.0,0.0,10.32,155.34,4.0,2.0,15.0,57.53,-0.88,0.0,606.316607362,1.0,65.88,3.0,0.0,0.0
930,Mezlocillin,solid,J01CR,J01C,J01,J,539.582,-0.84,0.471,-3.1,1.0,3.49,124.88,4.0,3.0,5.0,173.5,-5.9,0.0,539.114454181,0.0,51.5,8.0,-1.0,0.0
931,Felbamate,solid,N03AX,N03A,N03,N,238.2399,0.68,0.742,-2.5,1.0,14.98,59.59,1.0,2.0,7.0,104.64,,1.0,238.095356946,0.0,23.52,2.0,0.0,1.0
932,Fexofenadine,solid,R06AX,R06A,R06,R,501.6564,2.94,0.00266,-5.3,1.0,4.04,147.98,4.0,3.0,10.0,81.0,9.01,0.0,501.287908741,1.0,57.42,5.0,0.0,0.0
933,Isoniazid,solid,J04AM,J04A,J04,J,137.1393,-0.69,34.9,-0.59,1.0,13.61,37.46,1.0,2.0,1.0,68.01,3.35,0.0,137.058911861,0.0,13.21,3.0,0.0,1.0
934,Naratriptan,solid,N02CC,N02C,N02,N,335.464,1.44,0.114,-3.5,1.0,11.55,94.26,3.0,2.0,4.0,65.2,9.18,1.0,335.166747749,0.0,38.0,3.0,1.0,1.0
935,Rizatriptan,solid,N02CC,N02C,N02,N,269.3449,1.77,0.338,-2.9,1.0,17.23,93.13,3.0,1.0,5.0,49.74,9.56,1.0,269.164045633,0.0,30.0,3.0,1.0,1.0
936,Dirithromycin,solid,J01FA,J01F,J01,J,835.086,2.95,0.23,-3.6,0.0,12.49,212.95,4.0,5.0,12.0,196.33,9.13,0.0,834.5453052,1.0,90.75,15.0,2.0,0.0
937,Netilmicin,solid,S01AA,S01A,S01,S,475.587,-3.5,9.2,-1.7,0.0,12.55,119.84,3.0,8.0,8.0,199.73,9.8,0.0,475.30059868,1.0,50.76,12.0,5.0,0.0
938,Hydrocodone,solid,R05DA,R05D,R05,R,299.3642,1.96,0.797,-2.6,1.0,19.44,82.74,5.0,0.0,1.0,38.77,9.17,1.0,299.152143543,0.0,32.03,4.0,1.0,1.0
939,Norgestimate,solid,G03AA,G03A,G03,G,369.4971,4.11,0.00531,-4.8,1.0,11.47,105.0,4.0,1.0,3.0,58.89,3.11,1.0,369.230393863,0.0,42.79,3.0,0.0,1.0
941,Methylprednisolone,solid,D10AA,D10A,D10,D,374.4706,1.56,0.109,-3.5,1.0,12.59,103.04,4.0,3.0,2.0,94.83,-2.9,1.0,374.20932407,0.0,40.77,5.0,0.0,1.0
942,Pindolol,solid,C07CA,C07C,C07,C,248.3208,1.69,0.861,-2.5,1.0,14.09,71.46,2.0,3.0,6.0,57.28,9.67,1.0,248.152477894,0.0,28.27,3.0,1.0,1.0
943,Mepivacaine,solid,N01BB,N01B,N01,N,246.348,3.19,0.621,-2.6,1.0,13.62,76.32,2.0,1.0,2.0,32.34,7.25,1.0,246.173213336,0.0,28.61,2.0,1.0,1.0
944,Zaleplon,solid,N05CF,N05C,N05,N,305.3339,1.53,0.0403,-3.9,1.0,,97.24,3.0,0.0,3.0,74.29,0.28,1.0,305.127660127,0.0,32.09,4.0,0.0,1.0
945,Bromfenac,solid,S01BC,S01B,S01,S,334.165,3.66,0.0126,-4.4,1.0,3.81,80.26,2.0,2.0,4.0,80.39,1.59,1.0,333.000055902,0.0,29.93,4.0,-1.0,1.0
946,Apraclonidine,solid,S01EA,S01E,S01,S,245.109,1.66,0.409,-2.8,1.0,,63.79,2.0,3.0,1.0,62.44,8.48,1.0,244.028251754,0.0,23.27,4.0,1.0,1.0
948,Telmisartan,solid,C09DB,C09D,C09,C,514.6169,6.13,0.0035,-5.2,0.0,3.62,164.49,6.0,1.0,7.0,72.94,5.86,0.0,514.236876224,1.0,58.61,4.0,-1.0,0.0
949,Desloratadine,solid,R06AX,R06A,R06,R,310.821,3.97,0.00395,-4.9,1.0,,101.04,4.0,1.0,0.0,24.92,9.73,1.0,310.123676325,0.0,34.35,2.0,1.0,1.0
950,Methyldopa,solid,C02AB,C02A,C02,C,211.2145,-1.4,2.26,-2.0,1.0,1.73,53.79,1.0,4.0,3.0,103.78,9.85,0.0,211.084457909,0.0,20.73,5.0,0.0,1.0
951,Alosetron,solid,A03AE,A03A,A03,A,294.351,1.21,0.438,-2.8,1.0,13.32,86.41,4.0,1.0,2.0,53.92,6.81,1.0,294.148061218,0.0,32.52,2.0,0.0,1.0
952,Dactinomycin,solid,L01DA,L01D,L01,L,1255.417,-0.097,0.02,-4.8,0.0,10.52,326.17,7.0,5.0,8.0,355.54,-1.1,0.0,1254.628474764,1.0,129.24,16.0,0.0,0.0
954,Azelastine,solid,R06AX,R06A,R06,R,381.898,4.04,0.0092,-4.6,1.0,,110.52,4.0,0.0,3.0,35.91,8.88,1.0,381.160790112,0.0,41.54,3.0,1.0,1.0
955,Ezetimibe,solid,C10BA,C10B,C10,C,409.4252,4.56,0.00846,-4.7,1.0,9.48,108.86,4.0,2.0,6.0,60.77,-3.0,1.0,409.148949953,1.0,41.65,3.0,0.0,1.0
957,Dipyridamole,solid,B01AC,B01A,B01,B,504.6256,1.81,0.922,-2.7,0.0,14.97,142.78,4.0,4.0,12.0,145.44,3.54,0.0,504.317251808,1.0,56.93,12.0,0.0,0.0
958,Telithromycin,solid,J01FA,J01F,J01,J,812.018,5.13,0.0283,-4.5,0.0,8.84,214.68,5.0,1.0,11.0,171.85,7.65,0.0,811.473143313,1.0,90.44,11.0,1.0,0.0
959,Ethinylestradiol,solid,G03AA,G03A,G03,G,296.4034,3.9,0.00677,-4.6,1.0,10.33,87.37,4.0,2.0,0.0,40.46,-1.7,1.0,296.177630012,0.0,34.53,2.0,0.0,1.0
960,Lomefloxacin,solid,S01AE,S01A,S01,S,351.3479,-0.43,0.106,-3.5,1.0,5.45,90.11,3.0,2.0,3.0,72.88,8.78,0.0,351.139447899,0.0,34.72,6.0,0.0,1.0
961,Cyclopentolate,solid,S01FA,S01F,S01,S,291.3853,2.32,1.5,-2.3,1.0,14.19,82.81,2.0,1.0,7.0,49.77,8.42,1.0,291.183443671,0.0,32.51,3.0,1.0,1.0
962,Ramelteon,solid,N05CH,N05C,N05,N,259.3434,2.57,0.0164,-4.2,1.0,15.82,75.52,3.0,1.0,4.0,38.33,-1.4,1.0,259.157228921,0.0,29.99,2.0,0.0,1.0
963,Physostigmine,solid,S01EB,S01E,S01,S,275.3461,2.23,0.992,-2.4,1.0,14.77,78.4,3.0,1.0,2.0,44.81,6.59,1.0,275.163376931,0.0,30.63,3.0,0.0,1.0
964,Isotretinoin,solid,D10AD,D10A,D10,D,300.4351,5.01,0.00477,-4.8,1.0,4.76,97.79,1.0,1.0,5.0,37.3,,1.0,300.20893014,0.0,36.15,2.0,-1.0,0.0
965,Formoterol,solid,R03AL,R03A,R03,R,344.4049,1.06,0.0416,-3.9,1.0,8.61,97.87,2.0,4.0,8.0,90.82,9.81,1.0,344.173607266,0.0,36.56,5.0,1.0,1.0
967,Dimenhydrinate,solid,R06AA,R06A,R06,R,469.97,3.65,9.86,-1.3,1.0,,79.93,4.0,0.0,6.0,12.47,8.87,1.0,469.1880675,1.0,30.02,2.0,1.0,1.0
968,Glycopyrronium,solid,R03AL,R03A,R03,R,318.4305,-1.4,0.000944,-5.6,1.0,11.53,101.08,3.0,1.0,5.0,46.53,-4.3,0.0,318.206918767,0.0,35.88,2.0,1.0,1.0
969,Cytarabine,solid,L01BC,L01B,L01,L,243.2166,-2.8,43.8,-0.74,1.0,12.55,54.54,2.0,4.0,2.0,128.61,4.19,0.0,243.085520541,0.0,22.53,7.0,0.0,1.0
970,Dopamine,solid,C01CA,C01C,C01,C,153.1784,0.03,7.43,-1.3,1.0,10.01,43.25,1.0,3.0,2.0,66.48,9.27,0.0,153.078978601,0.0,16.21,3.0,1.0,1.0
971,Rivastigmine,solid,N06DA,N06D,N06,N,250.3367,2.41,2.04,-2.1,1.0,,73.37,1.0,0.0,5.0,32.78,8.8,1.0,250.168127958,0.0,28.56,2.0,1.0,1.0
972,Exemestane,solid,L02BG,L02B,L02,L,296.4034,3.87,0.00683,-4.6,1.0,,89.03,4.0,0.0,0.0,34.14,-5.0,1.0,296.177630012,0.0,33.72,2.0,0.0,1.0
973,Oxaprozin,solid,M01AE,M01A,M01,M,293.3166,3.46,0.0325,-4.0,1.0,4.95,81.88,3.0,1.0,5.0,63.33,-0.59,1.0,293.105193351,0.0,31.69,3.0,-1.0,1.0
974,Methyl aminolevulinate,solid,L01XD,L01X,L01,L,145.1564,-0.85,220.0,0.18,1.0,17.16,35.22,0.0,1.0,5.0,69.39,7.83,0.0,145.073893223,0.0,14.55,3.0,1.0,1.0
975,Azathioprine,solid,L04AX,L04A,L04,L,277.263,1.17,1.07,-2.4,1.0,8.62,69.94,3.0,1.0,3.0,115.42,2.16,1.0,277.038193193,0.0,24.37,6.0,0.0,1.0
977,Auranofin,solid,M01CB,M01C,M01,M,678.484,-1.0,0.151,-3.6,0.0,,114.88,1.0,0.0,15.0,114.43,-4.3,0.0,678.132666497,0.0,50.82,5.0,0.0,0.0
978,Gabapentin,solid,N03AX,N03A,N03,N,171.2368,-1.3,4.34,-1.6,1.0,4.63,46.33,1.0,2.0,3.0,63.32,9.91,0.0,171.125928793,0.0,18.92,3.0,0.0,1.0
979,Doxorubicin,solid,L01DB,L01D,L01,L,543.5193,0.54,1.18,-2.7,0.0,8.01,134.59,5.0,6.0,5.0,206.07,10.03,0.0,543.174060775,0.0,54.62,12.0,1.0,0.0
980,Frovatriptan,solid,N02CC,N02C,N02,N,243.3043,1.08,0.123,-3.3,1.0,14.54,71.84,3.0,3.0,2.0,70.91,10.42,1.0,243.137162181,0.0,27.63,2.0,1.0,1.0
981,Hydrochlorothiazide,solid,C09BX,C09B,C09,C,297.739,-0.58,2.24,-2.1,1.0,9.09,63.11,2.0,3.0,1.0,118.36,-2.7,0.0,296.964474846,0.0,25.35,5.0,0.0,1.0
982,Cyclacillin,solid,J01CR,J01C,J01,J,341.426,-1.9,1.9,-2.3,1.0,3.3,84.22,3.0,3.0,3.0,112.73,8.45,0.0,341.140926929,0.0,34.89,5.0,0.0,1.0
983,Salbutamol,solid,R03AK,R03A,R03,R,239.3107,0.34,2.15,-2.0,1.0,10.12,67.87,1.0,4.0,5.0,72.72,9.4,1.0,239.152143543,0.0,26.86,4.0,1.0,1.0
984,Levobupivacaine,solid,N01BB,N01B,N01,N,288.4277,4.52,0.0977,-3.5,1.0,13.62,90.19,2.0,1.0,5.0,32.34,8.0,1.0,288.220163528,0.0,34.43,2.0,1.0,1.0
985,Cromoglicic acid,solid,R03AK,R03A,R03,R,468.3665,1.48,0.0358,-4.1,1.0,1.61,114.11,4.0,3.0,8.0,165.89,-3.4,1.0,468.069261354,1.0,44.38,11.0,-2.0,0.0
986,Ganciclovir,solid,J05AB,J05A,J05,J,255.2306,-2.2,11.5,-1.4,1.0,10.16,61.03,2.0,4.0,5.0,134.99,0.58,0.0,255.096753929,0.0,24.15,7.0,0.0,1.0
987,Hydroxyurea,solid,L01XX,L01X,L01,L,76.0547,-1.4,269.0,0.55,1.0,10.14,14.91,0.0,3.0,0.0,75.35,-4.9,0.0,76.027277382,0.0,5.94,2.0,0.0,1.0
988,Letrozole,solid,L02BG,L02B,L02,L,285.3027,2.94,0.0799,-3.6,1.0,,94.47,3.0,0.0,3.0,78.29,1.89,1.0,285.101445377,0.0,29.59,4.0,0.0,1.0
989,Tioconazole,solid,G01AF,G01A,G01,G,387.711,5.3,0.0165,-4.4,1.0,,94.53,3.0,0.0,6.0,27.05,6.48,1.0,385.981416859,1.0,36.84,2.0,0.0,0.0
990,Busulfan,solid,L01AB,L01A,L01,L,246.302,-0.76,5.16,-1.7,1.0,,49.57,0.0,0.0,7.0,86.74,,0.0,246.02317956,0.0,23.64,4.0,0.0,1.0
991,Ketoprofen,solid,M01AE,M01A,M01,M,254.2806,3.61,0.0213,-4.1,1.0,3.88,72.52,2.0,1.0,4.0,54.37,-7.5,1.0,254.094294314,0.0,26.56,3.0,-1.0,1.0
992,Edrophonium,liquid,V04CX,V04C,V04,V,166.2401,-1.9,0.0486,-3.6,1.0,8.59,62.41,1.0,1.0,2.0,20.23,-6.1,0.0,166.123189139,0.0,19.15,1.0,1.0,1.0
993,Metyrapone,solid,V04CD,V04C,V04,V,226.2738,2.03,0.427,-2.7,1.0,,65.94,2.0,0.0,3.0,42.85,4.87,1.0,226.11061308,0.0,23.98,3.0,0.0,1.0
994,Cinacalcet,solid,H05BX,H05B,H05,H,357.412,6.27,5.59e-05,-6.8,1.0,,100.12,3.0,1.0,7.0,12.03,10.01,0.0,357.170434324,1.0,37.9,1.0,1.0,0.0
996,Balsalazide,solid,A07EC,A07E,A07,A,357.3175,3.17,0.0621,-3.8,1.0,3.06,94.37,2.0,4.0,7.0,148.65,-0.033,1.0,357.096085227,0.0,35.98,8.0,-2.0,1.0
997,Sulfamethoxazole,solid,J04AM,J04A,J04,J,253.278,0.79,0.459,-2.7,1.0,6.16,64.5,2.0,2.0,2.0,98.22,1.97,1.0,253.052111923,0.0,24.99,4.0,-1.0,1.0
998,Glyburide,solid,A10BB,A10B,A10,A,494.004,3.79,0.00206,-5.4,1.0,4.32,126.98,3.0,3.0,7.0,113.6,-1.4,0.0,493.143819418,1.0,51.74,5.0,-1.0,1.0
999,Minocycline,solid,D10AF,D10A,D10,D,457.4764,-2.6,3.07,-2.2,1.0,3.24,122.54,4.0,5.0,3.0,164.63,8.83,0.0,457.184900233,0.0,45.84,9.0,0.0,1.0
1000,Guanfacine,solid,C02AC,C02A,C02,C,246.093,1.74,0.139,-3.2,1.0,11.64,69.63,1.0,3.0,2.0,78.97,8.65,1.0,245.012267339,0.0,22.44,3.0,1.0,1.0
1001,Bethanechol,solid,N07AB,N07A,N07,N,161.2221,-4.1,0.311,-2.8,1.0,15.34,54.44,0.0,1.0,4.0,52.32,,0.0,161.129002798,0.0,17.73,1.0,1.0,1.0
1002,Isosorbide mononitrate,solid,C01DA,C01D,C01,C,191.1388,-0.71,57.0,-0.53,1.0,13.34,37.07,2.0,1.0,2.0,91.06,-3.5,0.0,191.042987025,0.0,15.89,6.0,0.0,1.0
1003,Trichlormethiazide,solid,G01AE,G01A,G01,G,380.656,0.97,0.415,-3.0,1.0,8.32,77.44,2.0,3.0,2.0,118.36,-4.1,1.0,378.90218026,0.0,31.97,5.0,0.0,1.0
1004,Phylloquinone,liquid,B02BA,B02B,B02,B,450.6957,9.7,5.92e-05,-6.9,0.0,,142.96,2.0,0.0,14.0,34.14,-7.2,0.0,450.349780716,0.0,55.92,2.0,0.0,0.0
1005,Felodipine,solid,C07FB,C07F,C07,C,384.254,3.44,0.00715,-4.7,1.0,19.46,99.2,2.0,1.0,6.0,64.63,-6.6,1.0,383.069113515,0.0,37.96,3.0,0.0,1.0
1006,Mycophenolic acid,solid,L04AA,L04A,L04,L,320.3371,3.53,0.0355,-4.0,1.0,3.57,85.23,2.0,2.0,6.0,93.06,-4.1,1.0,320.125988372,0.0,32.95,5.0,-1.0,1.0
1007,Amlexanox,solid,A01AD,A01A,A01,A,298.2934,3.65,0.146,-3.3,1.0,4.31,81.43,3.0,2.0,2.0,102.51,1.87,1.0,298.095356946,0.0,30.82,5.0,-1.0,1.0
1008,Ketoconazole,solid,G01AF,G01A,G01,G,531.431,4.19,0.00931,-4.8,1.0,,138.07,5.0,0.0,7.0,69.06,6.42,0.0,530.148760818,1.0,54.61,6.0,0.0,0.0
1009,Methoxyflurane,liquid,N02BG,N02B,N02,N,164.966,2.31,6.46,-1.4,1.0,,27.98,0.0,0.0,2.0,9.23,-4.5,0.0,163.960726574,0.0,11.46,1.0,0.0,1.0
1010,Irbesartan,solid,C09CA,C09C,C09,C,428.5294,5.39,0.00884,-4.7,1.0,5.85,136.72,5.0,1.0,7.0,87.13,4.12,0.0,428.232459548,1.0,47.61,5.0,-1.0,0.0
1011,Topotecan,solid,L01CE,L01C,L01,L,421.4458,-0.33,0.861,-2.7,1.0,8.0,115.02,5.0,2.0,3.0,103.2,9.75,1.0,421.163770861,0.0,44.86,6.0,1.0,1.0
1013,Probenecid,solid,M04AB,M04A,M04,M,285.359,2.44,0.425,-2.8,1.0,3.53,73.81,1.0,1.0,6.0,74.68,,1.0,285.103478791,0.0,29.96,4.0,-1.0,1.0
1014,Mercaptopurine,solid,L01BB,L01B,L01,L,152.177,-0.12,0.735,-2.3,1.0,11.09,43.6,2.0,2.0,0.0,53.07,2.99,0.0,152.015666838,0.0,14.04,3.0,0.0,1.0
1016,Procainamide,solid,C01BA,C01B,C01,C,235.3253,0.95,3.02,-1.9,1.0,15.75,72.25,1.0,2.0,6.0,58.36,9.04,1.0,235.168462309,0.0,27.69,3.0,1.0,1.0
1017,Tolterodine,solid,G04BD,G04B,G04,G,325.4876,5.12,0.00534,-4.8,1.0,10.28,103.96,2.0,1.0,7.0,23.47,11.01,1.0,325.240564619,0.0,39.29,2.0,1.0,0.0
1018,Selegiline,solid,N04BD,N04B,N04,N,187.286,2.85,0.0254,-3.9,1.0,,61.35,1.0,0.0,4.0,3.24,8.67,1.0,187.136099551,0.0,22.69,1.0,1.0,1.0
1020,Fenofibrate,solid,C10BA,C10B,C10,C,360.831,5.28,0.000707,-5.7,1.0,,97.13,2.0,0.0,7.0,52.6,-4.9,1.0,360.112836867,0.0,38.15,3.0,0.0,0.0
1021,Thalidomide,solid,L04AX,L04A,L04,L,258.2295,0.016,2.55,-2.0,1.0,11.59,64.32,3.0,1.0,1.0,83.55,-6.4,1.0,258.064056818,0.0,24.42,4.0,0.0,1.0
1022,Melphalan,solid,L01AA,L01A,L01,L,305.2,0.25,0.1,,1.0,1.29,78.23,1.0,2.0,8.0,66.56,9.51,1.0,304.074533244,0.0,31.38,4.0,0.0,1.0
1023,Memantine,solid,N06DA,N06D,N06,N,179.3018,2.07,0.0455,-3.6,1.0,,54.49,3.0,1.0,0.0,26.02,10.7,1.0,179.167399677,0.0,21.82,1.0,1.0,1.0
1024,Gatifloxacin,solid,S01AE,S01A,S01,S,375.3941,-0.62,0.631,-2.8,1.0,5.49,98.82,4.0,2.0,4.0,82.11,8.82,0.0,375.159434412,0.0,38.29,7.0,0.0,1.0
1025,Rifampicin,solid,J04AM,J04A,J04,J,822.9402,2.95,0.0413,-4.3,0.0,6.8,225.58,5.0,6.0,5.0,220.15,7.37,0.0,822.40512334,0.0,86.84,14.0,0.0,0.0
1026,Lubiprostone,solid,A06AX,A06A,A06,A,390.468,4.56,0.0256,-4.2,1.0,4.3,95.6,2.0,2.0,11.0,83.83,-4.4,1.0,390.221780456,0.0,42.35,5.0,-1.0,1.0
1027,Fluocinonide,solid,C05AA,C05A,C05,C,494.5249,2.05,0.0168,-4.5,1.0,13.6,120.56,5.0,1.0,4.0,99.13,-3.4,0.0,494.211609788,0.0,48.97,6.0,0.0,1.0
1028,Abacavir,solid,J05AR,J05A,J05,J,286.3323,0.39,1.21,-2.4,1.0,15.41,82.62,4.0,3.0,4.0,101.88,5.8,1.0,286.154209228,0.0,30.43,6.0,0.0,1.0
1030,Ibuprofen,solid,G02CC,G02C,G02,G,206.2808,3.84,0.0684,-3.5,1.0,4.85,60.73,1.0,1.0,4.0,37.3,,1.0,206.13067982,0.0,23.76,2.0,-1.0,1.0
1032,Benzylpenicillin,solid,J01CR,J01C,J01,J,334.39,1.08,0.285,-3.1,1.0,3.53,84.53,3.0,2.0,4.0,86.71,-2.8,1.0,334.098727764,0.0,33.53,4.0,-1.0,1.0
1033,Nitrendipine,solid,C08CA,C08C,C08,C,360.3612,2.17,0.0142,-4.4,1.0,16.97,95.91,2.0,1.0,7.0,107.77,-6.6,1.0,360.132136382,0.0,36.19,5.0,0.0,1.0
1035,Tocainide,solid,C01BB,C01B,C01,C,192.2575,1.88,1.6,-2.1,1.0,13.65,58.86,1.0,2.0,2.0,55.12,8.23,1.0,192.126263144,0.0,21.59,2.0,1.0,1.0
1036,Echothiophate,solid,S01EB,S01E,S01,S,256.323,-3.1,0.297,-3.0,1.0,,78.14,0.0,0.0,8.0,35.53,-8.2,0.0,256.113625809,0.0,27.65,1.0,1.0,1.0
1037,Praziquantel,solid,P02BA,P02B,P02,P,312.4061,2.3,0.381,-2.9,1.0,19.38,88.79,4.0,0.0,1.0,40.62,-0.6,1.0,312.183778022,0.0,34.84,2.0,0.0,1.0
1038,Norfloxacin,solid,J01RA,J01R,J01,J,319.3308,-0.97,1.01,-2.5,1.0,5.58,85.48,3.0,2.0,3.0,72.88,8.77,0.0,319.133219662,0.0,32.26,6.0,0.0,1.0
1039,Amoxicillin,solid,A02BD,A02B,A02,A,365.404,-2.3,0.958,-2.6,1.0,3.23,89.5,3.0,4.0,4.0,132.96,7.22,0.0,365.104541423,0.0,35.52,6.0,0.0,1.0
1040,Azlocillin,solid,J01CR,J01C,J01,J,461.492,-0.33,0.233,-3.3,1.0,3.49,111.71,4.0,4.0,5.0,148.15,-5.9,1.0,461.136904183,0.0,44.97,6.0,-1.0,1.0
1041,Oxybutynin,solid,G04BD,G04B,G04,G,357.4864,4.44,0.01,-4.6,1.0,11.53,105.26,2.0,1.0,10.0,49.77,8.77,1.0,357.230393863,0.0,41.37,3.0,1.0,1.0
1042,Acetophenazine,solid,N05AB,N05A,N05,N,411.56,2.65,0.0601,-3.8,1.0,15.46,121.7,4.0,1.0,7.0,47.02,7.78,1.0,411.198047877,1.0,46.68,5.0,1.0,1.0
1043,Isoprenaline,solid,C01CA,C01C,C01,C,211.2576,0.24,5.86,-1.6,1.0,9.81,58.4,1.0,4.0,4.0,72.72,8.96,1.0,211.120843415,0.0,23.04,4.0,1.0,1.0
1044,Melatonin,solid,N05CH,N05C,N05,N,232.2783,1.15,0.143,-3.2,1.0,15.8,66.28,2.0,2.0,4.0,54.12,-1.6,1.0,232.121177766,0.0,25.65,2.0,0.0,1.0
1045,Cefditoren,solid,J01DD,J01D,J01,J,506.578,-0.16,0.0441,-4.1,1.0,2.27,124.18,4.0,3.0,7.0,160.1,3.69,0.0,506.050079786,1.0,48.76,9.0,-1.0,0.0
1046,Glipizide,solid,A10BB,A10B,A10,A,445.535,1.43,0.0164,-4.4,1.0,4.32,115.62,3.0,3.0,6.0,130.15,0.061,1.0,445.178375067,1.0,47.62,6.0,-1.0,1.0
1047,Clonazepam,solid,N03AE,N03A,N03,N,315.711,3.15,0.0106,-4.5,1.0,11.65,83.02,3.0,1.0,2.0,84.6,1.89,1.0,315.041068908,0.0,29.66,4.0,0.0,1.0
1048,Promethazine,solid,R06AD,R06A,R06,R,284.419,4.29,0.0245,-4.1,1.0,,88.5,3.0,0.0,3.0,6.48,9.05,1.0,284.13471934,0.0,32.38,2.0,1.0,1.0
1049,Dihydrotachysterol,solid,A11CC,A11C,A11,A,398.6642,7.4,0.000125,-6.5,1.0,18.3,129.11,3.0,1.0,5.0,20.23,-1.4,0.0,398.354866094,0.0,51.77,1.0,0.0,0.0
1050,Mequitazine,solid,R06AD,R06A,R06,R,322.467,4.19,0.00401,-4.9,1.0,,99.05,5.0,0.0,2.0,6.48,8.61,1.0,322.150369404,0.0,35.85,2.0,1.0,1.0
1051,Atazanavir,solid,J05AE,J05A,J05,J,704.8555,4.54,0.00327,-5.3,0.0,11.92,191.8,3.0,5.0,18.0,171.22,4.42,0.0,704.389748048,1.0,76.73,7.0,0.0,0.0
1052,Fludarabine,solid,L01BB,L01B,L01,L,285.235,-1.5,12.1,-1.4,1.0,12.45,64.06,3.0,4.0,2.0,139.54,0.76,0.0,285.087332049,0.0,25.33,8.0,0.0,1.0
1053,Perhexiline,solid,C08EX,C08E,C08,C,277.4879,5.53,2.72e-05,-7.0,1.0,,87.23,3.0,1.0,4.0,12.03,10.58,1.0,277.276950125,0.0,36.21,1.0,1.0,0.0
1054,Diphenhydramine,solid,D04AA,D04A,D04,D,255.3547,3.65,0.0752,-3.5,1.0,,79.93,2.0,0.0,6.0,12.47,8.87,1.0,255.162314299,0.0,29.86,2.0,1.0,1.0
1055,Atorvastatin,solid,C10BA,C10B,C10,C,558.6398,5.39,0.00063,-6.0,0.0,4.31,158.2,4.0,4.0,12.0,111.79,-2.7,0.0,558.253000445,1.0,59.45,5.0,-1.0,0.0
1056,Etidronic acid,solid,M05BB,M05B,M05,M,206.0282,-2.3,11.5,-1.2,1.0,0.7,34.51,0.0,5.0,2.0,135.29,-5.1,0.0,205.974525634,0.0,13.97,7.0,-3.0,1.0
1057,Deslanoside,solid,C01AA,C01A,C01,C,943.0791,0.6,0.468,-3.3,0.0,7.15,225.65,9.0,9.0,10.0,282.21,-3.2,0.0,942.482430186,1.0,100.6,18.0,-1.0,0.0
1058,Tegaserod,solid,A06AX,A06A,A06,A,301.394,2.95,0.0288,-4.0,1.0,15.24,110.25,2.0,4.0,7.0,85.29,8.5,1.0,301.190260381,0.0,34.96,5.0,1.0,1.0
1059,Vigabatrin,solid,N03AG,N03A,N03,N,129.157,-2.1,96.6,-0.13,1.0,4.61,34.29,0.0,2.0,4.0,63.32,9.91,0.0,129.078978601,0.0,13.64,3.0,0.0,1.0
1060,Diphenoxylate,solid,A07DA,A07D,A07,A,452.5873,5.88,0.00146,-5.5,1.0,,146.76,4.0,0.0,9.0,53.33,8.5,0.0,452.246378278,1.0,51.58,3.0,1.0,0.0
1061,Streptomycin,solid,J04AM,J04A,J04,J,581.5741,-7.6,12.8,-1.7,0.0,11.09,149.47,3.0,14.0,9.0,331.43,11.6,0.0,581.265669747,1.0,55.87,19.0,3.0,0.0
1062,Orlistat,solid,A08AB,A08A,A08,A,495.7348,8.11,9.19e-05,-6.7,0.0,12.74,139.94,1.0,1.0,23.0,81.7,-1.4,0.0,495.392373811,0.0,60.88,3.0,0.0,0.0
1063,Emedastine,solid,S01GX,S01G,S01,S,302.4145,2.49,1.44,-2.3,1.0,,90.47,3.0,0.0,5.0,33.53,8.66,1.0,302.210661474,0.0,35.49,4.0,1.0,1.0
1064,Pilocarpine,solid,N07AX,N07A,N07,N,208.2569,0.95,2.07,-2.0,1.0,,56.53,2.0,0.0,3.0,44.12,6.37,1.0,208.121177766,0.0,22.34,2.0,0.0,1.0
1065,Benzocaine,solid,C05AD,C05A,C05,C,165.1891,1.5,2.85,-1.8,1.0,,47.53,1.0,1.0,3.0,52.32,2.78,1.0,165.078978601,0.0,17.46,2.0,0.0,1.0
1066,Primaquine,solid,P01BA,P01B,P01,P,259.3467,1.64,0.0564,-3.7,1.0,17.11,78.51,2.0,2.0,6.0,60.17,10.2,1.0,259.168462309,0.0,29.92,4.0,1.0,1.0
1067,Iloprost,solid,B01AC,B01A,B01,B,360.494,3.56,0.00874,-4.6,1.0,4.66,105.18,2.0,3.0,9.0,77.76,-0.87,1.0,360.23005951,0.0,42.68,4.0,-1.0,1.0
1068,Deserpidine,solid,C02LA,C02L,C02,C,578.6527,3.69,0.0111,-4.7,1.0,16.37,154.96,6.0,1.0,9.0,108.55,7.4,0.0,578.262816202,1.0,62.6,7.0,1.0,0.0
1070,Butenafine,solid,D01AE,D01A,D01,D,317.4672,6.17,7.56e-05,-6.6,1.0,,104.33,3.0,0.0,5.0,3.24,9.06,0.0,317.214349869,0.0,38.41,1.0,1.0,0.0
1071,Ouabain,solid,C01AC,C01A,C01,C,584.6525,-2.8,4.61,-2.1,0.0,7.18,140.83,6.0,8.0,4.0,206.6,-2.9,0.0,584.283276872,0.0,59.92,11.0,-1.0,0.0
1072,Dimethyl sulfoxide,liquid,M02AX,M02A,M02,M,78.133,-1.4,65.7,-0.08,1.0,,20.73,0.0,0.0,0.0,17.07,-8.0,0.0,78.013935504,0.0,7.91,1.0,0.0,1.0
1074,Fluvastatin,solid,C10AA,C10A,C10,C,411.473,3.83,0.00441,-5.0,1.0,4.54,114.86,3.0,3.0,8.0,82.69,-2.8,1.0,411.184586484,1.0,43.59,4.0,-1.0,1.0
1075,Oxamniquine,solid,P02BA,P02B,P02,P,279.3348,1.57,0.124,-3.4,1.0,14.47,78.86,2.0,3.0,5.0,87.43,9.89,1.0,279.158291553,0.0,30.27,5.0,1.0,1.0
1076,Leflunomide,solid,L04AA,L04A,L04,L,270.2073,2.51,0.0844,-3.5,1.0,13.72,64.16,2.0,1.0,3.0,55.13,-0.45,1.0,270.061612157,0.0,23.11,2.0,0.0,1.0
1077,Rosuvastatin,solid,C10BX,C10B,C10,C,481.538,1.92,0.0886,-3.7,1.0,4.0,121.44,2.0,3.0,9.0,140.92,-1.6,0.0,481.168284538,0.0,48.55,8.0,-1.0,1.0
1078,Flucytosine,solid,J02AX,J02A,J02,J,129.0925,-1.0,2.14,-1.8,1.0,8.31,28.15,1.0,2.0,0.0,67.48,1.78,0.0,129.03383997,0.0,10.04,3.0,0.0,1.0
1079,Pimozide,solid,N05AG,N05A,N05,N,461.5462,5.83,0.00173,-5.4,1.0,12.9,132.21,5.0,1.0,7.0,35.58,8.38,0.0,461.227868975,1.0,50.04,2.0,1.0,0.0
1080,Capecitabine,solid,L01BC,L01B,L01,L,359.3501,0.77,0.248,-3.2,1.0,8.63,82.75,2.0,3.0,7.0,120.69,0.073,1.0,359.149263656,0.0,35.94,6.0,0.0,1.0
1081,Arbutamine,solid,C01CA,C01C,C01,C,317.3795,2.0,0.0842,-3.6,1.0,8.97,89.78,2.0,5.0,8.0,92.95,9.76,1.0,317.162708229,0.0,35.54,5.0,1.0,1.0
1082,Quinacrine,solid,P01AX,P01A,P01,P,399.957,5.15,0.00239,-5.2,1.0,,118.96,3.0,1.0,9.0,37.39,10.33,1.0,399.207740304,1.0,46.32,4.0,2.0,0.0
1083,Sertraline,solid,N06AB,N06A,N06,N,306.23,5.15,0.000145,-6.3,1.0,,85.74,3.0,1.0,2.0,12.03,9.56,1.0,305.073804963,0.0,32.44,1.0,1.0,0.0
1084,Sibutramine,solid,A08AA,A08A,A08,A,279.848,5.2,0.00094,-5.5,1.0,,83.92,2.0,0.0,5.0,3.24,9.77,1.0,279.175377544,0.0,32.9,1.0,1.0,0.0
1085,Levocabastine,solid,R01AC,R01A,R01,R,420.528,2.5,0.00347,-5.1,1.0,3.71,118.48,4.0,1.0,4.0,64.33,10.32,1.0,420.221306345,0.0,45.58,4.0,0.0,1.0
1086,Methyprylon,solid,N05CE,N05C,N05,N,183.2475,1.88,11.3,-1.2,1.0,14.53,50.25,1.0,1.0,2.0,46.17,-3.1,1.0,183.125928793,0.0,19.95,2.0,0.0,1.0
1087,Trilostane,solid,H02CA,H02C,H02,H,329.4333,2.3,0.0592,-3.8,1.0,5.23,90.17,5.0,2.0,0.0,76.78,-0.88,1.0,329.199093735,0.0,36.81,4.0,-1.0,1.0
1089,Miconazole,solid,A07AC,A07A,A07,A,416.129,5.96,0.000763,-5.7,1.0,,103.07,3.0,0.0,6.0,27.05,6.48,0.0,413.986023908,1.0,39.54,2.0,0.0,0.0
1091,Cefuroxime,solid,S01AA,S01A,S01,S,424.385,-0.9,0.284,-3.2,1.0,2.96,97.17,3.0,3.0,8.0,173.76,-1.1,0.0,424.068884198,1.0,38.87,7.0,-1.0,1.0
1092,Papaverine,solid,G04BE,G04B,G04,G,339.385,3.08,0.0129,-4.4,1.0,,95.52,3.0,0.0,6.0,49.81,6.03,1.0,339.147058165,1.0,36.57,5.0,0.0,1.0
1093,Chlorpheniramine,liquid,R06AB,R06A,R06,R,274.788,3.58,0.0519,-3.7,1.0,,80.85,2.0,0.0,5.0,16.13,9.47,1.0,274.123676325,0.0,30.82,2.0,1.0,1.0
1094,Nifedipine,solid,C08CA,C08C,C08,C,346.3346,1.82,0.0177,-4.3,1.0,16.94,91.16,2.0,1.0,6.0,107.77,-6.6,1.0,346.116486318,0.0,33.89,5.0,0.0,1.0
1095,Trimethaphan,solid,C02BA,C02B,C02,C,365.512,2.32,0.00665,-4.8,1.0,,105.43,5.0,0.0,4.0,23.55,-2.0,1.0,365.168759122,0.0,40.13,1.0,1.0,1.0
1096,Atovaquone,solid,P01AX,P01A,P01,P,366.837,5.0,0.000796,-5.7,1.0,5.53,103.11,4.0,1.0,2.0,54.37,-5.3,1.0,366.102272181,0.0,39.64,3.0,-1.0,1.0
1097,Amiodarone,solid,C01BD,C01B,C01,C,645.3116,7.64,0.00476,-5.1,0.0,,145.05,3.0,0.0,11.0,42.68,8.47,0.0,645.023680639,1.0,56.78,3.0,1.0,0.0
1098,Diazoxide,solid,G01AE,G01A,G01,G,230.671,1.0,0.552,-2.6,1.0,14.48,54.84,2.0,1.0,0.0,58.53,-2.6,1.0,229.991675875,0.0,20.98,4.0,0.0,1.0
1099,Gliclazide,solid,A10BB,A10B,A10,A,323.41,1.73,0.19,-3.2,1.0,4.07,83.88,3.0,2.0,2.0,78.51,1.38,1.0,323.130362722,0.0,33.72,4.0,-1.0,1.0
1100,Phenacemide,solid,N03AX,N03A,N03,N,178.1879,0.46,1.06,-2.2,1.0,11.75,47.43,1.0,2.0,2.0,72.19,-7.8,1.0,178.074227574,0.0,17.49,2.0,0.0,1.0
1101,Ambenonium,solid,N07AA,N07A,N07,N,537.565,-3.6,9.42e-07,-8.8,0.0,11.48,173.57,2.0,2.0,15.0,58.2,-3.6,0.0,536.268482022,0.0,59.98,2.0,2.0,0.0
1103,Tolbutamide,solid,V04CA,V04C,V04,V,270.348,2.3,0.202,-3.1,1.0,4.33,70.27,1.0,2.0,4.0,75.27,,1.0,270.103813142,0.0,29.1,3.0,-1.0,1.0
1105,Dutasteride,solid,G04CB,G04C,G04,G,528.5297,5.79,0.000908,-5.8,0.0,12.56,127.9,5.0,2.0,4.0,58.2,-0.16,0.0,528.221147444,0.0,49.92,2.0,0.0,0.0
1106,Econazole,solid,G01AF,G01A,G01,G,381.684,5.35,0.00148,-5.4,1.0,,98.26,3.0,0.0,6.0,27.05,6.48,1.0,380.024996233,1.0,37.37,2.0,0.0,0.0
1107,Bicalutamide,solid,L02BB,L02B,L02,L,430.373,2.71,0.00928,-4.7,1.0,11.78,96.59,2.0,2.0,6.0,107.26,-4.0,1.0,430.061040456,0.0,36.7,5.0,0.0,1.0
1108,Rabeprazole,solid,A02BD,A02B,A02,A,359.443,2.09,0.336,-3.0,1.0,9.35,98.07,3.0,1.0,8.0,77.1,4.24,1.0,359.130362243,1.0,39.64,5.0,0.0,1.0
1109,Prednicarbate,solid,D07AC,D07A,D07,D,488.577,3.83,0.00562,-4.9,1.0,14.83,127.8,4.0,1.0,9.0,116.2,-2.9,0.0,488.241018119,1.0,52.43,6.0,0.0,1.0
1110,Proguanil,solid,P01BB,P01B,P01,P,253.731,2.38,0.116,-3.3,1.0,,91.65,1.0,5.0,2.0,83.79,10.4,1.0,253.109423244,0.0,26.75,5.0,2.0,1.0
1111,Pioglitazone,solid,A10BD,A10B,A10,A,356.439,3.33,0.00441,-4.9,1.0,6.66,97.39,3.0,1.0,7.0,68.29,5.6,1.0,356.119463206,1.0,38.24,4.0,-1.0,1.0
1112,Tiludronic acid,solid,M05BA,M05B,M05,M,318.608,1.32,6.97,-1.7,1.0,1.03,65.11,1.0,4.0,4.0,115.06,,1.0,317.928359441,0.0,25.37,6.0,-3.0,1.0
1114,Doxacurium,solid,M03AC,M03A,M03,M,1035.2223,-2.5,9.02e-05,-7.1,0.0,18.41,302.15,6.0,0.0,29.0,163.36,-4.1,0.0,1034.535134458,1.0,113.56,14.0,2.0,0.0
1115,Carvedilol,solid,C07AG,C07A,C07,C,406.4742,3.42,0.00444,-5.0,1.0,14.03,115.64,4.0,3.0,10.0,75.74,8.74,1.0,406.18925733,1.0,45.03,5.0,1.0,1.0
1116,Levofloxacin,solid,J01MA,J01M,J01,J,361.3675,0.09,1.44,-2.4,1.0,5.35,94.94,4.0,1.0,2.0,73.32,6.72,1.0,361.143784348,0.0,36.69,7.0,-1.0,1.0
1117,Sulfinpyrazone,solid,M04AB,M04A,M04,M,404.482,3.19,0.323,-3.1,1.0,3.86,113.62,4.0,0.0,6.0,57.69,-8.2,1.0,404.119463206,1.0,42.1,3.0,-1.0,1.0
1118,Cefapirin,solid,J01DB,J01D,J01,J,423.463,-2.1,0.151,-3.4,1.0,3.35,102.43,3.0,2.0,8.0,125.9,4.99,0.0,423.055876671,1.0,40.63,6.0,-1.0,1.0
1119,Cefadroxil,solid,J01DB,J01D,J01,J,363.388,-2.4,0.399,-3.0,1.0,3.25,90.95,3.0,4.0,4.0,132.96,7.22,0.0,363.088891359,0.0,35.91,6.0,0.0,1.0
1120,Micafungin,solid,J02AX,J02A,J02,J,1270.274,-6.3,0.218,-3.8,0.0,-2.2,303.07,7.0,16.0,18.0,510.14,-3.6,0.0,1269.438350313,1.0,128.66,22.0,-1.0,0.0
1121,Doxepin,solid,N06AA,N06A,N06,N,279.3761,3.84,0.0319,-3.9,1.0,,98.24,3.0,0.0,3.0,12.47,9.76,1.0,279.162314299,0.0,32.47,2.0,1.0,1.0
1122,Amifostine,solid,V03AF,V03A,V03,V,214.223,-3.7,18.7,-1.1,1.0,2.06,51.28,0.0,4.0,7.0,95.58,10.71,0.0,214.054099558,0.0,21.01,5.0,0.0,1.0
1123,Diclofenamide,solid,G01AE,G01A,G01,G,305.159,0.39,0.398,-2.9,1.0,7.94,59.98,1.0,2.0,2.0,120.32,,1.0,303.914603484,0.0,25.04,4.0,0.0,1.0
1124,Sulfoxone,solid,J04BA,J04B,J04,J,404.482,1.27,2.63,-2.2,1.0,1.7,96.95,2.0,4.0,8.0,132.8,-0.056,1.0,404.017048324,0.0,38.81,8.0,-2.0,1.0
1125,Diphenylpyraline,solid,R06AA,R06A,R06,R,281.392,3.66,0.0188,-4.2,1.0,,87.36,3.0,0.0,4.0,12.47,8.87,1.0,281.177964363,0.0,32.97,2.0,1.0,1.0
1126,Cloxacillin,solid,J01CR,J01C,J01,J,435.881,2.3,0.0532,-3.9,1.0,3.75,106.64,4.0,2.0,4.0,112.74,-0.41,1.0,435.065569098,0.0,41.64,5.0,-1.0,1.0
1127,Flavoxate,solid,G04BD,G04B,G04,G,391.4596,4.24,0.0154,-4.4,1.0,,113.51,4.0,0.0,6.0,55.84,7.91,1.0,391.178358293,1.0,43.39,4.0,1.0,1.0
1128,Nefazodone,solid,N06AX,N06A,N06,N,470.007,4.65,0.0698,-3.8,1.0,,132.38,4.0,0.0,10.0,51.62,7.09,0.0,469.224453,1.0,51.85,5.0,0.0,1.0
1129,Cefprozil,solid,J01DC,J01D,J01,J,389.426,-1.9,0.149,-3.4,1.0,3.3,101.27,3.0,4.0,5.0,132.96,7.22,0.0,389.104541423,0.0,39.35,6.0,0.0,1.0
1130,Desipramine,solid,N06AA,N06A,N06,N,266.3807,3.9,0.0396,-3.8,1.0,,85.31,3.0,1.0,4.0,15.27,10.02,1.0,266.178298714,0.0,31.74,2.0,1.0,1.0
1131,Candicidin,solid,G01AA,G01A,G01,G,1109.317,-0.028,0.00714,-5.2,0.0,3.68,302.12,3.0,11.0,10.0,364.22,9.07,0.0,1108.571913873,1.0,118.61,19.0,0.0,0.0
1132,Sertaconazole,solid,G01AF,G01A,G01,G,437.77,6.23,0.00637,-4.8,1.0,,111.6,4.0,0.0,6.0,27.05,6.48,0.0,435.997066923,1.0,42.93,2.0,0.0,0.0
1133,Thiamylal,solid,N05CB,N05C,N05,N,254.349,2.92,0.0506,-3.7,1.0,7.2,70.64,1.0,2.0,5.0,58.2,-7.8,1.0,254.10889852,0.0,26.75,2.0,-1.0,1.0
1134,Gemifloxacin,solid,J01MA,J01M,J01,J,389.3809,-0.92,0.21,-3.3,1.0,5.35,99.74,4.0,2.0,5.0,121.35,9.41,0.0,389.149932358,0.0,39.02,9.0,0.0,1.0
1135,Bupropion,solid,A08AA,A08A,A08,A,239.741,3.27,0.0693,-3.5,1.0,18.61,67.7,1.0,1.0,4.0,29.1,8.22,1.0,239.10769191,0.0,26.12,2.0,1.0,1.0
1136,Trimetrexate,solid,P01AX,P01A,P01,P,369.4176,2.28,0.0309,-4.1,1.0,17.04,107.7,3.0,3.0,6.0,117.54,7.54,1.0,369.180089627,1.0,40.22,8.0,1.0,1.0
1137,Bretylium,solid,C01BD,C01B,C01,C,243.163,-1.1,0.000154,-6.3,1.0,17.58,72.89,1.0,0.0,3.0,0.0,,0.0,242.054437196,0.0,23.24,0.0,1.0,1.0
1138,Halothane,liquid,N01AB,N01A,N01,N,197.382,2.12,3.81,-1.7,1.0,,24.63,0.0,0.0,1.0,0.0,,0.0,195.890225001,0.0,9.78,0.0,0.0,1.0
1140,Chloroprocaine,solid,N01BA,N01B,N01,N,270.755,2.48,1.3,-2.3,1.0,,75.1,1.0,1.0,7.0,55.56,8.96,1.0,270.113505569,0.0,28.74,3.0,1.0,1.0
1141,Terazosin,solid,G04CA,G04C,G04,G,387.4329,1.18,1.5,-2.4,1.0,19.93,105.18,4.0,1.0,4.0,103.04,7.24,1.0,387.190654313,0.0,41.28,8.0,1.0,1.0
1142,Amdinocillin,solid,J01CA,J01C,J01,J,325.426,-0.55,0.979,-2.5,1.0,3.3,84.31,3.0,1.0,2.0,73.21,7.92,0.0,325.146012307,0.0,34.16,5.0,0.0,1.0
1143,Calcium chloride,solid,A12AA,A12A,A12,A,110.984,-0.57,21.4,-0.71,1.0,3.09,0.0,0.0,0.0,0.0,0.0,,0.0,109.900296569,0.0,1.78,0.0,2.0,1.0
1144,Ofloxacin,solid,J01MA,J01M,J01,J,361.3675,0.09,1.44,-2.4,1.0,5.35,94.94,4.0,1.0,2.0,73.32,6.72,1.0,361.143784348,0.0,36.69,7.0,-1.0,1.0
1145,Cilostazol,solid,B01AC,B01A,B01,B,369.4607,3.31,0.0324,-4.1,1.0,14.42,117.13,4.0,1.0,7.0,81.93,-0.67,1.0,369.216475133,1.0,41.15,5.0,0.0,1.0
1146,Itraconazole,solid,J02AC,J02A,J02,J,705.633,7.31,0.00964,-4.9,0.0,,200.4,7.0,0.0,11.0,100.79,3.91,0.0,704.239307158,1.0,74.5,9.0,0.0,0.0
1147,Procarbazine,solid,L01XB,L01X,L01,L,221.2988,0.99,0.228,-3.0,1.0,15.03,86.98,1.0,3.0,5.0,53.16,5.56,1.0,221.152812245,0.0,25.88,3.0,0.0,1.0
1149,Guanethidine,solid,S01EX,S01E,S01,S,198.3085,0.74,2.25,-2.0,1.0,,59.7,1.0,2.0,3.0,67.64,11.77,1.0,198.184446724,0.0,23.67,4.0,2.0,1.0
1150,Moclobemide,solid,N06AG,N06A,N06,N,268.739,1.45,1.12,-2.4,1.0,14.73,71.93,2.0,1.0,4.0,41.57,6.02,1.0,268.097855505,0.0,28.21,3.0,0.0,1.0
1151,Kanamycin,solid,S01AA,S01A,S01,S,484.4986,-7.1,92.3,-0.72,0.0,12.11,106.13,3.0,11.0,6.0,282.61,9.54,0.0,484.238058014,1.0,47.57,15.0,4.0,0.0
1152,Orphenadrine,solid,M03BC,M03B,M03,M,269.3813,4.17,0.03,-4.0,1.0,,84.97,2.0,0.0,6.0,12.47,8.87,1.0,269.177964363,0.0,31.83,2.0,1.0,1.0
1153,Phenobarbital,solid,N05CB,N05C,N05,N,232.2353,1.41,0.276,-2.9,1.0,7.14,59.75,2.0,2.0,2.0,75.27,,1.0,232.08479226,0.0,22.59,3.0,-1.0,1.0
1154,Escitalopram,solid,N06AB,N06A,N06,N,324.3919,3.76,0.00588,-4.7,1.0,,94.02,3.0,0.0,5.0,36.26,9.78,1.0,324.163791509,0.0,35.3,3.0,1.0,1.0
1155,Cyclizine,solid,R06AE,R06A,R06,R,266.3807,3.55,0.0752,-3.6,1.0,,84.93,3.0,0.0,3.0,6.48,8.2,1.0,266.178298714,0.0,31.53,2.0,1.0,1.0
1156,Idarubicin,solid,L01DB,L01D,L01,L,497.4939,1.52,0.772,-2.8,1.0,8.04,126.43,5.0,5.0,3.0,176.61,10.04,0.0,497.168581467,0.0,50.84,10.0,1.0,1.0
1157,Chlormezanone,solid,M03BB,M03B,M03,M,273.736,0.92,1.61,-2.2,1.0,19.07,64.88,2.0,0.0,1.0,54.45,-2.4,1.0,273.022641652,0.0,25.72,3.0,0.0,1.0
1158,Podofilox,solid,D06BB,D06B,D06,D,414.4053,1.62,0.114,-3.6,1.0,14.02,103.9,5.0,1.0,4.0,92.68,-3.2,1.0,414.13146768,0.0,41.78,7.0,0.0,1.0
1159,Rescinnamine,solid,C02LA,C02L,C02,C,634.716,4.07,0.00349,-5.3,0.0,16.29,171.16,6.0,1.0,11.0,117.78,7.39,0.0,634.289030952,1.0,69.66,8.0,1.0,0.0
1160,Ifosfamide,solid,L01AA,L01A,L01,L,261.086,0.097,15.0,-1.2,1.0,14.64,58.48,1.0,1.0,5.0,41.57,,1.0,260.02481966,0.0,23.94,1.0,0.0,1.0
1161,Propafenone,solid,C01BC,C01B,C01,C,341.444,3.54,0.00758,-4.6,1.0,14.09,100.21,2.0,2.0,11.0,58.56,9.63,1.0,341.199093735,0.0,39.75,4.0,1.0,1.0
1162,Naloxone,solid,A06AH,A06A,A06,A,327.3743,1.62,5.64,-1.8,1.0,10.07,88.72,5.0,2.0,2.0,70.0,7.84,1.0,327.147058165,0.0,33.83,5.0,1.0,1.0
1163,Domperidone,solid,A03FA,A03F,A03,A,425.911,2.9,0.0925,-3.7,1.0,12.52,119.37,5.0,2.0,5.0,67.92,7.03,1.0,425.161852744,0.0,45.61,3.0,0.0,1.0
1164,Fluoxymesterone,solid,G03BA,G03B,G03,G,336.4409,2.38,0.0452,-3.9,1.0,13.6,90.19,4.0,2.0,0.0,57.53,-3.0,1.0,336.210072999,0.0,36.65,3.0,0.0,1.0
1165,Pergolide,solid,N04BC,N04B,N04,N,314.488,4.23,0.000584,-5.7,1.0,17.35,97.02,4.0,1.0,4.0,19.03,9.49,1.0,314.181669532,0.0,38.4,1.0,1.0,1.0
1166,Iophendylate,liquid,V08AD,V08A,V08,V,416.3368,6.89,2.52e-05,-7.2,0.0,,101.6,1.0,0.0,12.0,26.3,-7.0,0.0,416.121223592,0.0,41.29,1.0,0.0,0.0
1167,Ciclopirox,solid,D01AE,D01A,D01,D,207.2689,2.22,1.41,-2.2,1.0,6.84,60.91,2.0,1.0,1.0,40.54,-6.2,1.0,207.125928793,0.0,23.13,2.0,-1.0,1.0
1168,Desflurane,liquid,N01AB,N01A,N01,N,168.0378,2.4,3.54,-1.7,1.0,18.87,18.12,0.0,0.0,3.0,9.23,-4.8,0.0,168.000983916,0.0,7.89,1.0,0.0,1.0
1169,Clindamycin,solid,D10AF,D10A,D10,D,424.98,1.04,3.1,-2.1,1.0,12.41,105.72,2.0,4.0,7.0,102.26,7.55,1.0,424.179871,0.0,44.82,6.0,1.0,1.0
1170,Dexfenfluramine,solid,A08AA,A08A,A08,A,231.2573,3.47,0.0215,-4.0,1.0,,59.2,1.0,1.0,5.0,12.03,10.22,1.0,231.123484132,0.0,22.69,1.0,1.0,1.0
1171,Oxymorphone,solid,N02AA,N02A,N02,N,301.3371,0.78,25.6,-1.1,1.0,10.07,79.56,5.0,2.0,0.0,70.0,8.21,1.0,301.131408101,0.0,30.77,5.0,1.0,1.0
1172,Acebutolol,solid,C07AB,C07A,C07,C,336.4259,1.53,0.172,-3.3,1.0,13.91,94.87,1.0,3.0,10.0,87.66,9.65,1.0,336.204907394,0.0,38.51,5.0,1.0,1.0
1173,Brinzolamide,solid,S01EC,S01E,S01,S,383.507,-0.58,0.713,-2.7,1.0,8.18,87.2,2.0,2.0,7.0,118.8,6.5,0.0,383.064332867,0.0,37.93,6.0,0.0,1.0
1174,Flecainide,solid,C01BC,C01B,C01,C,414.3427,3.19,0.0324,-4.1,1.0,13.68,88.4,2.0,2.0,9.0,59.59,9.62,1.0,414.137811746,0.0,35.92,4.0,1.0,1.0
1175,Estramustine,solid,L01XX,L01X,L01,L,440.403,5.1,0.000385,-6.1,1.0,19.38,116.21,4.0,1.0,6.0,49.77,-0.88,1.0,439.168099277,1.0,47.96,2.0,0.0,0.0
1176,Captopril,solid,C09AA,C09A,C09,C,217.285,0.73,4.52,-1.7,1.0,4.02,54.63,1.0,2.0,3.0,57.61,-1.3,1.0,217.077264041,0.0,21.72,3.0,-1.0,1.0
1177,Zopiclone,solid,N05CF,N05C,N05,N,388.808,0.52,0.885,-2.6,1.0,8.04,95.89,4.0,0.0,3.0,91.76,6.86,1.0,388.105066147,0.0,38.22,6.0,0.0,1.0
1178,Tubocurarine,solid,M03AA,M03A,M03,M,609.7312,3.23,0.000323,-6.3,1.0,8.54,187.06,7.0,2.0,2.0,80.62,7.98,0.0,609.296462054,0.0,67.43,5.0,2.0,0.0
1179,Bromocriptine,solid,N04BC,N04B,N04,N,654.595,3.89,0.0858,-3.9,1.0,9.69,165.51,7.0,3.0,5.0,118.21,6.71,0.0,653.221282062,0.0,66.44,6.0,0.0,0.0
1180,Rifapentine,solid,J04AB,J04A,J04,J,877.0307,3.7,0.0213,-4.6,0.0,6.99,242.0,6.0,6.0,6.0,220.15,7.88,0.0,876.452073532,1.0,93.56,14.0,0.0,0.0
1181,Levetiracetam,solid,N03AX,N03A,N03,N,170.212,-0.59,298.0,0.24,1.0,16.09,44.08,1.0,1.0,3.0,63.4,-1.6,0.0,170.105527699,0.0,17.79,2.0,0.0,1.0
1182,Nadolol,solid,C07BA,C07B,C07,C,309.4006,0.87,2.25,-2.1,1.0,13.59,85.53,2.0,4.0,6.0,81.95,9.76,1.0,309.194008357,0.0,34.63,5.0,1.0,1.0
1183,Mitoxantrone,liquid,L01DB,L01D,L01,L,444.4809,0.65,0.734,-2.8,0.0,8.27,123.53,3.0,8.0,12.0,163.18,9.36,1.0,444.200884648,1.0,48.49,10.0,2.0,0.0
1184,Flumazenil,solid,V03AB,V03A,V03,V,303.2884,1.39,1.04,-2.5,1.0,,87.93,3.0,0.0,3.0,64.43,2.87,1.0,303.101919534,0.0,29.84,3.0,0.0,1.0
1185,Lomustine,solid,L01AD,L01A,L01,L,233.695,2.16,0.755,-2.5,1.0,14.05,58.65,1.0,1.0,4.0,61.77,-5.3,1.0,233.093104478,0.0,23.61,2.0,0.0,1.0
1187,Sparfloxacin,solid,J01MA,J01M,J01,J,392.3998,-0.081,0.113,-3.5,1.0,5.56,101.69,4.0,3.0,3.0,98.9,8.88,1.0,392.165997,0.0,39.35,7.0,0.0,1.0
1188,Dezocine,solid,N02AX,N02A,N02,N,245.3599,3.23,0.014,-4.2,1.0,10.43,74.19,3.0,2.0,0.0,46.25,9.67,1.0,245.177964363,0.0,28.56,2.0,1.0,1.0
1189,Levobunolol,solid,S01ED,S01E,S01,S,291.3853,2.18,0.251,-3.1,1.0,14.09,83.28,2.0,2.0,6.0,58.56,9.75,1.0,291.183443671,0.0,33.38,4.0,1.0,1.0
1190,Clarithromycin,solid,A02BD,A02B,A02,A,747.9534,3.24,0.217,-3.5,0.0,12.46,190.79,3.0,4.0,8.0,182.91,9.0,0.0,747.476891299,1.0,82.03,13.0,1.0,0.0
1191,Ceftriaxone,solid,J01DD,J01D,J01,J,554.58,-1.9,0.105,-3.7,0.0,2.7,128.47,4.0,4.0,8.0,208.98,3.36,0.0,554.04605704,1.0,51.47,12.0,-2.0,0.0
1192,Fomepizole,liquid,V03AB,V03A,V03,V,82.1038,0.79,559.0,0.83,1.0,15.82,24.79,1.0,1.0,0.0,28.68,2.63,0.0,82.053098202,0.0,8.58,1.0,0.0,1.0
1193,Metipranolol,solid,S01ED,S01E,S01,S,309.4006,2.74,0.173,-3.2,1.0,14.09,86.63,1.0,2.0,8.0,67.79,9.67,1.0,309.194008357,0.0,35.85,4.0,1.0,1.0
1194,Estazolam,solid,N05CD,N05C,N05,N,294.738,2.9,0.0423,-3.8,1.0,18.3,94.44,4.0,0.0,1.0,43.07,4.9,1.0,294.067224079,0.0,29.83,3.0,0.0,1.0
1195,Finasteride,solid,D11AX,D11A,D11,D,372.5441,3.07,0.00198,-5.3,1.0,14.53,108.2,4.0,2.0,2.0,58.2,0.33,1.0,372.277678406,0.0,43.96,2.0,0.0,1.0
1196,Anastrozole,solid,L02BG,L02B,L02,L,293.3663,3.03,0.0661,-3.6,1.0,,97.47,2.0,0.0,4.0,78.29,2.0,1.0,293.164045633,0.0,31.97,4.0,0.0,1.0
1197,Halofantrine,solid,P01BX,P01B,P01,P,500.424,8.06,0.000111,-6.7,0.0,14.47,131.66,3.0,1.0,11.0,23.47,10.05,0.0,499.165654616,1.0,51.53,2.0,1.0,0.0
1198,Dantrolene,solid,M03CA,M03C,M03,M,314.257,1.26,0.0805,-3.6,1.0,8.23,77.87,3.0,1.0,4.0,118.05,-1.3,1.0,314.065119438,0.0,30.02,5.0,0.0,1.0
1199,Rifaximin,solid,A07AA,A07A,A07,A,785.8785,4.59,0.00738,-5.0,0.0,6.69,216.69,6.0,5.0,3.0,198.38,5.88,0.0,785.352359489,0.0,82.04,11.0,-1.0,0.0
1200,Ketamine,solid,N01AX,N01A,N01,N,237.725,3.35,0.0464,-3.7,1.0,19.77,65.55,2.0,1.0,2.0,29.1,7.16,1.0,237.092041846,0.0,24.97,2.0,1.0,1.0
1201,Budesonide,solid,R03AL,R03A,R03,R,430.5339,2.73,0.0457,-4.0,1.0,13.75,116.11,5.0,2.0,4.0,93.06,-2.9,1.0,430.23553882,0.0,46.88,6.0,0.0,1.0
1202,Aminophylline,solid,R03DA,R03D,R03,R,420.4264,-0.77,22.9,-0.9,1.0,7.82,44.93,4.0,1.0,1.0,69.3,-0.78,0.0,420.198199306,0.0,16.86,3.0,0.0,1.0
1203,Quetiapine,solid,N05AH,N05A,N05,N,383.507,2.81,0.0403,-4.0,1.0,15.12,114.09,4.0,1.0,5.0,48.3,7.06,1.0,383.166747749,0.0,42.78,5.0,0.0,1.0
1205,Mivacurium,liquid,M03AC,M03A,M03,M,1029.2608,-0.76,3.26e-05,-7.5,0.0,18.59,308.74,6.0,0.0,30.0,144.9,-4.1,0.0,1028.560955278,1.0,116.99,12.0,2.0,0.0
1206,Levacetylmethadol,solid,N07BC,N07B,N07,N,353.4977,4.88,0.00179,-5.3,1.0,,117.86,2.0,0.0,9.0,29.54,9.87,1.0,353.235479241,0.0,40.53,2.0,1.0,1.0
1207,Encainide,solid,C01BC,C01B,C01,C,352.4699,4.49,0.00401,-4.9,1.0,15.52,107.77,3.0,1.0,6.0,41.57,9.48,1.0,352.21507815,1.0,41.04,3.0,1.0,1.0
1208,Paclitaxel,solid,L01CD,L01C,L01,L,853.9061,3.54,0.00556,-5.2,0.0,11.9,218.29,7.0,4.0,14.0,221.29,-1.2,0.0,853.330955345,1.0,87.15,10.0,0.0,0.0
1209,Pemoline,solid,N06BA,N06B,N06,N,176.172,0.8,0.979,-2.3,1.0,15.33,45.7,2.0,1.0,1.0,64.68,-0.69,1.0,176.05857751,0.0,17.04,4.0,0.0,1.0
1211,Saquinavir,solid,J05AE,J05A,J05,J,670.8408,3.16,0.00247,-5.4,0.0,13.61,186.67,5.0,5.0,13.0,166.75,8.47,0.0,670.38426874,1.0,73.76,7.0,1.0,0.0
1212,Metoclopramide,solid,A03FA,A03F,A03,A,299.796,1.4,0.31,-3.0,1.0,14.49,83.52,1.0,2.0,7.0,67.59,9.04,1.0,299.14005467,0.0,32.7,4.0,1.0,1.0
1213,Dexamethasone,solid,R01AD,R01A,R01,R,392.4611,1.68,0.0505,-3.9,1.0,12.42,102.49,4.0,3.0,2.0,94.83,-3.3,1.0,392.199902243,0.0,40.71,5.0,0.0,1.0
1214,Levodopa,solid,N04BA,N04B,N04,N,197.1879,-1.8,3.3,-1.8,1.0,1.65,49.08,1.0,4.0,3.0,103.78,9.06,0.0,197.068807845,0.0,18.91,5.0,0.0,1.0
1215,Sevoflurane,liquid,N01AB,N01A,N01,N,200.0548,2.27,1.48,-2.1,1.0,15.07,23.3,0.0,0.0,4.0,9.23,-4.5,0.0,200.007212153,0.0,9.83,1.0,0.0,1.0
1216,Bromodiphenhydramine,solid,R06AA,R06A,R06,R,334.251,4.42,0.00345,-5.0,1.0,,87.55,2.0,0.0,6.0,12.47,8.87,1.0,333.072826914,0.0,33.48,2.0,1.0,1.0
1217,Aripiprazole,solid,N05AX,N05A,N05,N,448.385,4.9,0.00777,-4.8,1.0,13.51,124.34,4.0,1.0,7.0,44.81,7.46,1.0,447.148032537,1.0,49.23,4.0,1.0,1.0
1218,Chlorprothixene,solid,N05AF,N05A,N05,N,315.86,5.07,0.000366,-5.9,1.0,,104.66,3.0,0.0,3.0,3.24,9.76,1.0,315.0848485,0.0,35.77,1.0,1.0,0.0
1219,Epoprostenol,solid,B01AC,B01A,B01,B,352.4651,2.42,0.136,-3.4,1.0,4.43,99.01,2.0,3.0,10.0,86.99,-1.6,1.0,352.224974134,0.0,41.09,5.0,-1.0,1.0
1220,Gemfibrozil,solid,C10AB,C10A,C10,C,250.3334,4.39,0.0278,-4.0,1.0,4.42,71.82,1.0,1.0,6.0,46.53,-4.8,1.0,250.15689457,0.0,28.9,3.0,-1.0,1.0
1221,Clomipramine,solid,N06AA,N06A,N06,N,314.852,4.88,0.0144,-4.3,1.0,,95.41,3.0,0.0,4.0,6.48,9.2,1.0,314.154976453,0.0,35.73,2.0,1.0,1.0
1223,Bepridil,solid,C08EA,C08E,C08,C,366.5396,5.49,0.00655,-4.8,1.0,,115.12,3.0,0.0,10.0,15.71,9.16,1.0,366.26711372,1.0,43.5,3.0,1.0,0.0
1225,Alimemazine,solid,R06AD,R06A,R06,R,298.446,4.41,0.00835,-4.6,1.0,,93.37,3.0,0.0,4.0,6.48,9.42,1.0,298.150369404,0.0,34.83,2.0,1.0,1.0
1226,Isocarboxazid,solid,N06AF,N06A,N06,N,231.2505,1.43,0.224,-3.0,1.0,10.42,74.78,2.0,2.0,4.0,67.16,2.83,1.0,231.100776675,0.0,24.15,3.0,0.0,1.0
1227,Docetaxel,solid,L01CD,L01C,L01,L,807.8792,2.92,0.0127,-4.8,0.0,11.9,203.9,6.0,5.0,13.0,224.45,-3.0,0.0,807.346605409,1.0,82.15,10.0,0.0,0.0
1228,Iodixanol,solid,V08AB,V08A,V08,V,1550.1819,-2.1,0.185,-3.9,0.0,11.43,277.16,2.0,13.0,22.0,339.09,-3.2,0.0,1549.713275288,0.0,111.56,15.0,0.0,0.0
1229,Olsalazine,solid,A07EC,A07E,A07,A,302.239,4.39,0.0781,-3.6,1.0,2.93,78.85,2.0,4.0,4.0,139.78,-0.019,1.0,302.053886062,0.0,28.61,8.0,-2.0,1.0
1230,Gliquidone,solid,A10BB,A10B,A10,A,527.632,4.14,0.0022,-5.4,1.0,4.32,139.48,4.0,2.0,6.0,121.88,-4.8,0.0,527.209006493,1.0,57.3,6.0,-1.0,0.0
1231,Mitiglinide,solid,A10BX,A10B,A10,A,315.413,2.92,0.0708,-3.6,1.0,4.62,88.31,3.0,1.0,5.0,57.61,-0.83,1.0,315.183443669,0.0,34.98,3.0,-1.0,1.0
1232,Ergometrine,solid,G02AB,G02A,G02,G,325.4048,1.07,0.321,-3.0,1.0,15.0,95.05,4.0,3.0,3.0,68.36,7.93,1.0,325.179026995,0.0,36.54,3.0,1.0,1.0
1233,Dasatinib,solid,L01EA,L01E,L01,L,488.006,4.01,0.0128,-4.6,1.0,10.99,133.08,4.0,3.0,7.0,106.51,7.19,0.0,487.155721508,1.0,50.39,8.0,1.0,1.0
1234,Lisdexamfetamine,liquid,N06BA,N06B,N06,N,263.3785,1.14,0.0877,-3.5,1.0,15.89,78.31,1.0,3.0,8.0,81.14,10.21,1.0,263.199762437,0.0,31.28,3.0,2.0,1.0
1235,Retapamulin,solid,D06AX,D06A,D06,D,517.763,4.37,0.000394,-6.1,1.0,14.43,145.45,5.0,1.0,6.0,66.84,9.69,0.0,517.322579687,1.0,59.82,4.0,1.0,0.0
1237,Lapatinib,solid,L01EH,L01E,L01,L,581.058,4.64,0.0223,-4.4,0.0,16.44,152.42,5.0,2.0,11.0,106.35,7.26,0.0,580.134731942,1.0,61.19,7.0,1.0,0.0
1238,Desonide,solid,S01BA,S01B,S01,S,416.5073,1.9,0.0594,-3.8,1.0,13.75,112.06,5.0,2.0,2.0,93.06,-2.9,1.0,416.219888756,0.0,44.59,6.0,0.0,1.0
1239,Sitagliptin,solid,A10BH,A10B,A10,A,407.3136,1.26,0.034,-4.1,1.0,,87.49,3.0,1.0,5.0,77.04,8.78,1.0,407.118079357,0.0,32.66,4.0,1.0,1.0
1240,Decitabine,solid,L01BC,L01B,L01,L,228.2053,-2.2,5.5,-1.6,1.0,13.89,50.68,2.0,3.0,2.0,120.74,2.09,0.0,228.085854892,0.0,21.15,7.0,0.0,1.0
1242,Darunavir,solid,J05AR,J05A,J05,J,547.664,2.82,0.0668,-3.9,0.0,13.59,142.34,4.0,3.0,11.0,140.42,2.39,0.0,547.235221243,1.0,57.49,7.0,0.0,0.0
1243,Telbivudine,solid,J05AF,J05A,J05,J,242.2286,-1.1,66.8,-0.56,1.0,9.96,55.41,2.0,3.0,2.0,99.1,-3.0,0.0,242.090271568,0.0,23.2,5.0,0.0,1.0
1245,Paliperidone,solid,N05AX,N05A,N05,N,426.4839,1.76,0.297,-3.2,1.0,13.74,116.04,5.0,1.0,4.0,82.17,8.76,1.0,426.206718955,0.0,45.95,5.0,1.0,1.0
1246,Sunitinib,solid,L01EX,L01E,L01,L,398.4738,2.93,0.0308,-4.1,1.0,11.46,116.27,3.0,3.0,7.0,77.23,9.04,1.0,398.211804333,1.0,44.74,3.0,1.0,1.0
1251,Varenicline,solid,N07BA,N07B,N07,N,211.268,1.01,0.0877,-3.4,1.0,,61.3,4.0,1.0,0.0,37.81,9.73,1.0,211.110947431,0.0,23.12,3.0,1.0,1.0
1253,Hydralazine,solid,C02DB,C02D,C02,C,160.1759,0.75,2.64,-1.8,1.0,17.69,50.23,2.0,2.0,1.0,63.83,8.88,1.0,160.074896276,0.0,16.06,4.0,1.0,1.0
1258,Nelarabine,solid,L01BB,L01B,L01,L,297.2673,-1.6,13.9,-1.3,1.0,12.45,69.6,3.0,4.0,3.0,148.77,4.47,0.0,297.107318615,0.0,28.34,9.0,0.0,1.0
1260,Carbetocin,solid,H01BB,H01B,H01,H,988.161,-3.6,0.0265,-4.6,0.0,11.42,250.18,3.0,10.0,18.0,362.51,,0.0,987.484787417,1.0,101.2,12.0,0.0,0.0
1261,Lumiracoxib,solid,M01AH,M01A,M01,M,293.721,4.31,0.00549,-4.7,1.0,4.11,75.91,2.0,2.0,4.0,49.33,-1.3,1.0,293.061884577,0.0,28.54,3.0,-1.0,1.0
1262,Tetracosactide,solid,H01AA,H01A,H01,H,2933.49,-14.0,0.0481,-4.8,0.0,3.03,790.98,9.0,42.0,93.0,1158.72,12.38,0.0,2931.580641316,1.0,309.35,46.0,6.0,0.0
1264,Fenoterol,solid,R03CC,R03C,R03,R,303.3529,1.47,0.162,-3.3,1.0,8.85,85.0,2.0,5.0,6.0,92.95,9.63,1.0,303.147058165,0.0,31.75,5.0,1.0,1.0
1265,Glisoxepide,solid,A10BB,A10B,A10,A,449.524,1.44,0.103,-3.6,1.0,4.07,115.86,3.0,3.0,6.0,133.64,1.59,1.0,449.173289689,1.0,46.82,6.0,-1.0,1.0
1266,Pirbuterol,solid,R03CC,R03C,R03,R,240.2988,-0.66,6.22,-1.6,1.0,8.79,64.74,1.0,4.0,5.0,85.61,9.59,0.0,240.147392516,0.0,26.31,5.0,1.0,1.0
1268,Bevantolol,solid,C07AB,C07A,C07,C,345.4327,3.03,0.0137,-4.4,1.0,14.09,98.54,2.0,2.0,10.0,59.95,9.31,1.0,345.194008357,0.0,39.75,5.0,1.0,1.0
1269,Glucosamine,solid,M01AX,M01A,M01,M,179.1711,-3.0,551.0,0.49,1.0,11.73,37.58,1.0,5.0,1.0,116.17,8.23,0.0,179.079372531,0.0,16.87,6.0,1.0,1.0
1270,Practolol,solid,C07AB,C07A,C07,C,266.3361,0.83,0.49,-2.7,1.0,14.03,75.24,1.0,3.0,7.0,70.59,9.67,1.0,266.16304258,0.0,30.39,4.0,1.0,1.0
1271,Sulfacytine,solid,G01AE,G01A,G01,G,294.33,0.055,0.468,-2.8,1.0,10.55,75.49,2.0,2.0,3.0,104.86,2.17,1.0,294.078661024,0.0,29.39,5.0,0.0,1.0
1272,Sulfadoxine,solid,P01BF,P01B,P01,P,310.329,0.58,0.296,-3.0,1.0,6.12,77.81,2.0,2.0,4.0,116.43,3.44,1.0,310.073575646,0.0,30.01,7.0,-1.0,1.0
1273,Rolitetracycline,solid,J01AA,J01A,J01,J,527.5662,-3.0,1.81,-2.5,0.0,3.25,139.45,5.0,6.0,4.0,170.87,9.26,0.0,527.226765047,0.0,54.37,10.0,0.0,0.0
1274,Oxtriphylline,solid,R03DA,R03D,R03,R,283.3268,-0.77,3.84,-1.9,1.0,7.82,45.51,2.0,0.0,2.0,66.4,-0.78,0.0,283.164439563,0.0,16.49,4.0,0.0,1.0
1278,Fosamprenavir,solid,J05AE,J05A,J05,J,585.607,1.92,0.685,-2.9,0.0,1.22,144.95,3.0,4.0,13.0,177.72,2.45,0.0,585.190986967,1.0,57.53,8.0,-2.0,0.0
1279,Fosphenytoin,solid,N03AB,N03A,N03,N,362.2739,1.67,0.145,-3.4,1.0,1.46,87.05,3.0,3.0,5.0,116.17,-9.7,1.0,362.066772734,0.0,33.23,5.0,-2.0,1.0
1280,Josamycin,solid,J01FA,J01F,J01,J,827.995,3.22,0.0535,-4.2,0.0,12.71,211.03,3.0,3.0,14.0,206.05,7.9,0.0,827.466720543,1.0,87.66,13.0,1.0,0.0
1283,Polythiazide,solid,C03AA,C03A,C03,C,439.882,1.1,0.264,-3.2,1.0,9.31,90.52,2.0,2.0,5.0,109.57,-3.1,1.0,438.970880311,0.0,37.56,5.0,0.0,1.0
1284,Quinethazone,solid,G01AE,G01A,G01,G,289.739,1.19,2.51,-2.1,1.0,9.56,69.34,2.0,3.0,2.0,101.29,-0.97,1.0,289.028789662,0.0,27.3,4.0,0.0,1.0
1285,Cefamandole,solid,J01DC,J01D,J01,J,462.503,0.027,0.581,-2.9,1.0,3.13,126.65,4.0,3.0,7.0,150.54,-1.7,1.0,462.078009096,1.0,42.45,8.0,-1.0,1.0
1286,Cefazolin,solid,J01DB,J01D,J01,J,454.507,-1.5,0.487,-3.0,1.0,2.84,119.86,4.0,2.0,7.0,156.09,0.26,0.0,454.030013046,1.0,41.57,9.0,-1.0,1.0
1287,Cefonicid,solid,J01DC,J01D,J01,J,542.566,-2.5,0.895,-2.8,0.0,-1.3,136.58,4.0,4.0,9.0,204.91,-2.0,0.0,542.034823652,1.0,47.9,11.0,-2.0,0.0
1288,Cefoperazone,solid,J01DD,J01D,J01,J,645.67,-0.9,0.286,-3.4,0.0,3.19,169.06,5.0,4.0,9.0,220.26,-1.7,0.0,645.142401213,1.0,60.97,11.0,-1.0,0.0
1289,Cefotetan,solid,J01DC,J01D,J01,J,575.619,-0.38,0.521,-3.0,0.0,3.03,153.55,4.0,4.0,9.0,219.93,-1.5,0.0,575.002143315,1.0,52.62,11.0,-2.0,0.0
1290,Cefoxitin,solid,J01DC,J01D,J01,J,427.452,0.29,0.195,-3.3,1.0,3.39,98.76,3.0,3.0,8.0,148.26,-3.8,1.0,427.050791293,1.0,39.47,6.0,-1.0,1.0
1291,Ceftizoxime,solid,J01DD,J01D,J01,J,383.403,-0.94,0.229,-3.2,1.0,2.66,89.9,3.0,3.0,5.0,147.21,3.6,0.0,383.035809931,0.0,35.38,8.0,-1.0,1.0
1292,Cefradine,solid,J01DB,J01D,J01,J,349.405,-2.4,0.778,-2.6,1.0,3.27,92.0,3.0,3.0,4.0,112.73,7.6,0.0,349.109626801,0.0,33.19,5.0,0.0,1.0
1294,Pancuronium,solid,M03AC,M03A,M03,M,572.8619,-3.3,3.08e-06,-8.3,1.0,,185.22,6.0,0.0,6.0,52.6,-6.7,0.0,572.455308418,1.0,69.56,2.0,2.0,0.0
1295,Pipecuronium,solid,M03AC,M03A,M03,M,602.8912,-5.3,9.5e-05,-6.8,1.0,,193.04,6.0,0.0,6.0,59.08,5.31,0.0,602.477106492,1.0,72.35,4.0,2.0,0.0
1296,Vecuronium,solid,M03AC,M03A,M03,M,557.8274,0.89,1.86e-05,-7.5,1.0,,169.31,6.0,0.0,6.0,55.84,9.65,0.0,557.431833322,1.0,66.86,3.0,2.0,0.0
1297,Cilazapril,solid,C09BA,C09B,C09,C,417.4986,0.22,1.06,-2.6,1.0,3.4,110.56,3.0,2.0,9.0,99.18,5.06,1.0,417.226371117,1.0,44.73,6.0,-1.0,1.0
1304,Spirapril,solid,C09AA,C09A,C09,C,466.614,1.6,0.0293,-4.2,1.0,3.62,121.94,3.0,2.0,10.0,95.94,5.2,1.0,466.15961346,1.0,48.74,5.0,-1.0,1.0
1305,Tasosartan,solid,C09CA,C09C,C09,C,411.4591,4.18,0.0325,-4.1,1.0,5.85,130.61,5.0,1.0,4.0,100.55,2.79,0.0,411.180758329,0.0,44.34,6.0,-1.0,1.0
1306,Amobarbital,solid,N05CA,N05C,N05,N,226.2722,1.89,0.897,-2.4,1.0,7.48,58.0,1.0,2.0,4.0,75.27,,1.0,226.131742452,0.0,23.45,3.0,0.0,1.0
1307,Aprobarbital,solid,N05CA,N05C,N05,N,210.2298,1.14,5.17,-1.6,1.0,7.48,53.45,1.0,2.0,3.0,75.27,,1.0,210.100442324,0.0,20.5,3.0,0.0,1.0
1308,Butobarbital,solid,N05CA,N05C,N05,N,212.2456,1.61,1.27,-2.2,1.0,7.48,53.45,1.0,2.0,4.0,75.27,,1.0,212.116092388,0.0,21.62,3.0,0.0,1.0
1309,Heptabarbital,solid,N05CA,N05C,N05,N,250.2936,1.91,0.324,-2.9,1.0,7.14,66.25,2.0,2.0,2.0,75.27,,1.0,250.131742452,0.0,25.88,3.0,-1.0,1.0
1310,Hexobarbital,solid,N01AF,N01A,N01,N,236.267,1.25,1.51,-2.2,1.0,7.41,61.95,2.0,1.0,1.0,66.48,,1.0,236.116092388,0.0,24.14,3.0,0.0,1.0
1313,Penbutolol,solid,C07CA,C07C,C07,C,291.4284,3.55,0.0212,-4.1,1.0,14.09,86.6,2.0,2.0,7.0,41.49,9.76,1.0,291.219829177,0.0,34.58,3.0,1.0,1.0
1314,Iohexol,solid,V08AB,V08A,V08,V,821.1379,-2.0,0.796,-3.0,0.0,11.73,148.84,1.0,8.0,12.0,199.89,-3.0,0.0,820.880309705,0.0,60.37,9.0,0.0,0.0
1316,Ephedrine,solid,S01FB,S01F,S01,S,165.2322,1.32,8.26,-1.3,1.0,13.89,49.69,1.0,2.0,3.0,32.26,9.52,1.0,165.115364107,0.0,18.8,2.0,1.0,1.0
1317,Mephentermine,liquid,C01CA,C01C,C01,C,163.2594,2.52,0.457,-2.6,1.0,,53.12,1.0,1.0,3.0,12.03,10.3,1.0,163.136099549,0.0,19.79,1.0,1.0,1.0
1319,Rasagiline,solid,N04BD,N04B,N04,N,171.2383,2.3,0.0249,-3.8,1.0,,54.47,2.0,1.0,2.0,12.03,8.4,1.0,171.104799421,0.0,20.25,1.0,1.0,1.0
1322,Calcium,solid,M05BB,M05B,M05,M,40.078,-0.57,0.0,1.08,1.0,,0.0,0.0,0.0,0.0,0.0,,0.0,39.9625909,0.0,1.78,0.0,0.0,1.0
1328,Glymidine,solid,A10BC,A10B,A10,A,309.341,1.01,0.124,-3.4,1.0,6.92,77.01,2.0,1.0,6.0,90.41,-2.4,1.0,309.078326673,0.0,31.34,6.0,-1.0,1.0
1329,Paramethasone,solid,H02AB,H02A,H02,H,392.4611,1.3,0.145,-3.4,1.0,12.45,102.79,4.0,3.0,2.0,94.83,-2.9,1.0,392.199902243,0.0,40.81,5.0,0.0,1.0
1330,Mibefradil,solid,C08CX,C08C,C08,C,495.6287,5.16,0.00104,-5.7,0.0,12.54,139.73,4.0,1.0,12.0,67.45,9.82,0.0,495.289720302,1.0,55.34,4.0,1.0,0.0
1331,Sodium bicarbonate,solid,B05CB,B05C,B05,B,84.0066,0.25,764.0,0.96,1.0,3.5,20.34,0.0,1.0,0.0,60.36,,0.0,83.982338573,0.0,3.86,3.0,-1.0,1.0
1332,Yohimbine,solid,G04BE,G04B,G04,G,354.4427,2.1,0.348,-3.0,1.0,14.68,99.63,5.0,2.0,2.0,65.56,7.48,1.0,354.194342708,0.0,40.24,3.0,1.0,1.0
1333,Bezafibrate,solid,C10AB,C10A,C10,C,361.819,3.99,0.00155,-5.4,1.0,3.83,95.96,2.0,2.0,7.0,75.63,-0.84,1.0,361.10808584,0.0,37.53,4.0,-1.0,1.0
1334,Colchicine,solid,M04AC,M04A,M04,M,399.443,1.46,0.0276,-4.2,1.0,15.06,111.38,3.0,1.0,5.0,83.09,-1.2,1.0,399.168187529,0.0,41.89,6.0,0.0,1.0
1335,Drospirenone,solid,G03AA,G03A,G03,G,366.4932,3.37,0.00225,-5.2,1.0,18.52,101.68,7.0,0.0,0.0,43.37,-5.0,1.0,366.219494826,0.0,41.81,2.0,0.0,1.0
1336,Digitoxin,solid,C01AA,C01A,C01,C,764.9391,3.6,0.0289,-4.4,0.0,7.18,191.72,8.0,5.0,7.0,182.83,0.24,0.0,764.434692134,1.0,83.54,12.0,0.0,0.0
1338,Salsalate,solid,N02BA,N02B,N02,N,258.2262,3.64,0.246,-3.0,1.0,3.4,67.1,2.0,2.0,4.0,83.83,-4.3,1.0,258.05282343,0.0,24.93,4.0,-1.0,1.0
1341,Methotrimeprazine,solid,N05AA,N05A,N05,N,328.472,4.25,0.00525,-4.8,1.0,,99.83,3.0,0.0,5.0,15.71,9.42,1.0,328.16093409,0.0,36.78,3.0,1.0,1.0
1343,Temafloxacin,solid,J01MA,J01M,J01,J,417.3811,1.05,0.0144,-4.5,1.0,5.41,104.53,4.0,2.0,3.0,72.88,8.85,1.0,417.130026072,0.0,39.68,6.0,0.0,1.0
1344,Danazol,solid,G03XA,G03X,G03,G,337.4553,3.46,0.0176,-4.3,1.0,17.59,98.54,5.0,1.0,0.0,46.26,0.25,1.0,337.204179113,0.0,38.44,2.0,0.0,1.0
1345,Clenbuterol,solid,R03CC,R03C,R03,R,277.19,2.33,0.112,-3.4,1.0,14.06,73.38,1.0,3.0,4.0,58.28,9.63,1.0,276.079618622,0.0,28.81,3.0,1.0,1.0
1346,Bambuterol,solid,R03CC,R03C,R03,R,367.44,1.4,0.469,-2.9,1.0,13.91,98.28,1.0,2.0,8.0,91.34,9.52,1.0,367.210721053,0.0,40.77,4.0,1.0,1.0
1348,Ciclesonide,solid,R03BA,R03B,R03,R,540.697,5.32,0.00157,-5.5,0.0,14.78,146.28,6.0,1.0,6.0,99.13,-2.9,0.0,540.308703757,1.0,60.18,6.0,0.0,0.0
1349,Pranlukast,solid,R03DC,R03D,R03,R,481.512,4.67,0.0032,-5.2,1.0,6.86,139.15,5.0,2.0,9.0,119.09,-1.7,0.0,481.175004241,1.0,51.41,7.0,-1.0,1.0
1350,Theobromine,solid,C03BD,C03B,C03,C,180.164,-0.77,9.74,-1.3,1.0,9.28,44.93,2.0,1.0,0.0,67.23,-0.91,0.0,180.06472552,0.0,16.85,3.0,0.0,1.0
1351,Cefepime,solid,J01DE,J01D,J01,J,480.561,-4.2,0.0173,-4.5,1.0,2.82,141.98,4.0,2.0,7.0,150.04,3.62,0.0,480.124959288,1.0,47.53,8.0,0.0,1.0
1352,Cefacetrile,solid,J01DB,J01D,J01,J,339.324,-1.8,2.43,-2.2,1.0,3.11,77.51,2.0,2.0,6.0,136.8,-6.2,0.0,339.052505853,0.0,31.34,6.0,-1.0,1.0
1353,Ceftibuten,solid,J01DD,J01D,J01,J,410.425,-1.5,0.0705,-3.8,1.0,2.85,97.02,3.0,4.0,6.0,162.92,4.68,0.0,410.03547558,1.0,38.49,8.0,-2.0,1.0
1354,Cefpodoxime,solid,J01DD,J01D,J01,J,427.455,-1.3,0.185,-3.4,1.0,2.75,100.71,3.0,3.0,7.0,156.44,3.61,0.0,427.062024681,1.0,39.9,9.0,-1.0,1.0
1355,Acenocoumarol,solid,B01AA,B01A,B01,B,353.3255,2.68,0.0106,-4.5,1.0,5.09,93.18,3.0,1.0,5.0,106.74,-6.9,1.0,353.089937217,0.0,34.44,5.0,-1.0,1.0
1358,Paromomycin,solid,A07AA,A07A,A07,A,615.6285,-8.3,79.7,-0.89,0.0,12.23,134.24,4.0,13.0,9.0,347.32,9.68,0.0,615.296301173,1.0,59.03,19.0,5.0,0.0
1359,Nitroxoline,solid,J01XX,J01X,J01,J,190.1555,1.77,2.73,-1.8,1.0,6.89,48.28,2.0,1.0,1.0,76.26,1.92,1.0,190.037842068,0.0,17.25,4.0,-1.0,1.0
1360,Stepronin,solid,R05CB,R05C,R05,R,273.329,1.27,0.211,-3.1,1.0,3.56,64.8,1.0,2.0,6.0,83.47,-4.6,1.0,273.012949225,0.0,25.98,4.0,-1.0,1.0
1361,Aminophenazone,solid,N02BB,N02B,N02,N,231.2936,1.15,22.5,-1.0,1.0,,70.11,2.0,0.0,2.0,26.79,3.66,1.0,231.137162181,0.0,25.86,3.0,0.0,1.0
1362,Alizapride,solid,A03FA,A03F,A03,A,315.3702,1.13,0.495,-2.8,1.0,9.11,89.21,3.0,2.0,6.0,83.14,7.77,1.0,315.169524941,1.0,33.92,5.0,1.0,1.0
1363,Ajmaline,solid,C01BA,C01B,C01,C,326.4326,1.85,4.09,-1.9,1.0,13.28,92.57,6.0,2.0,1.0,46.94,7.2,1.0,326.199428086,0.0,36.73,4.0,1.0,1.0
1364,Amrinone,solid,C01CE,C01C,C01,C,187.198,-0.57,5.6,-1.5,1.0,11.01,53.89,2.0,2.0,1.0,68.01,4.87,0.0,187.074561925,0.0,18.94,3.0,0.0,1.0
1366,Aprindine,solid,C01BB,C01B,C01,C,322.487,4.99,0.00782,-4.6,1.0,,105.22,3.0,0.0,8.0,6.48,9.94,1.0,322.24089897,1.0,40.02,2.0,1.0,1.0
1367,Almitrine,solid,R07AB,R07A,R07,R,477.5522,6.05,0.0144,-4.5,1.0,14.27,140.88,4.0,2.0,10.0,69.21,8.47,0.0,477.245250373,1.0,51.12,7.0,1.0,0.0
1368,Allylestrenol,solid,G03DC,G03D,G03,G,300.4782,4.83,0.000558,-5.7,1.0,,93.14,4.0,1.0,2.0,20.23,-0.17,1.0,300.245315646,0.0,37.18,1.0,0.0,1.0
1372,Antipyrine,solid,N02BB,N02B,N02,N,188.2258,1.22,47.4,-0.6,1.0,,56.42,2.0,0.0,1.0,23.55,0.49,1.0,188.094963016,0.0,20.4,2.0,0.0,1.0
1373,Alfacalcidol,solid,A11CC,A11C,A11,A,400.6371,5.82,0.00163,-5.4,1.0,14.39,124.7,3.0,2.0,6.0,40.46,-2.8,0.0,400.334130652,1.0,50.56,2.0,0.0,0.0
1374,Glutethimide,solid,N05CE,N05C,N05,N,217.2637,2.13,0.327,-2.8,1.0,11.69,60.65,2.0,1.0,2.0,46.17,-6.7,1.0,217.110278729,0.0,23.15,2.0,0.0,1.0
1375,Phenazopyridine,solid,G04BX,G04B,G04,G,213.2385,2.69,0.202,-3.0,1.0,18.85,68.25,2.0,2.0,2.0,89.65,6.86,1.0,213.101445377,0.0,22.65,5.0,1.0,1.0
1388,Diamorphine,solid,N07BC,N07B,N07,N,369.411,1.55,0.266,-3.1,1.0,,98.43,5.0,0.0,4.0,65.07,9.1,1.0,369.157622851,0.0,38.19,4.0,1.0,1.0
1394,Bezitramide,solid,N02AC,N02A,N02,N,492.6114,4.79,0.0067,-4.9,1.0,,155.25,5.0,0.0,7.0,67.65,8.32,0.0,492.252526288,1.0,55.58,4.0,1.0,1.0
1398,Fencamfamin,solid,N06BA,N06B,N06,N,215.3339,3.21,0.00295,-4.9,1.0,,67.64,3.0,1.0,3.0,12.03,10.56,1.0,215.167399677,0.0,26.13,1.0,1.0,1.0
1401,Ethylmorphine,solid,S01XA,S01X,S01,S,313.3908,1.7,0.835,-2.6,1.0,13.78,89.35,5.0,1.0,2.0,41.93,9.19,1.0,313.167793607,0.0,34.15,4.0,1.0,1.0
1418,Barbital,solid,N05CA,N05C,N05,N,184.1925,0.72,3.23,-1.8,1.0,7.48,44.25,1.0,2.0,2.0,75.27,,1.0,184.08479226,0.0,17.59,3.0,0.0,1.0
1421,Cathine,solid,A08AA,A08A,A08,A,151.2056,0.89,20.6,-0.87,1.0,13.9,44.91,1.0,2.0,2.0,46.25,9.37,0.0,151.099714043,0.0,16.88,2.0,1.0,1.0
1424,Camazepam,solid,N05BA,N05B,N05,N,371.818,3.34,0.0182,-4.3,1.0,,98.63,3.0,0.0,3.0,62.21,-1.7,1.0,371.103669164,0.0,38.12,3.0,0.0,1.0
1427,Ethylestrenol,solid,A14AB,A14A,A14,A,288.4675,4.69,0.00086,-5.5,1.0,,88.5,4.0,1.0,1.0,20.23,-0.27,1.0,288.245315646,0.0,35.94,1.0,0.0,1.0
1429,Dichloralphenazone,solid,N05CC,N05C,N05,N,519.032,1.22,47.4,-0.6,1.0,,56.42,2.0,0.0,3.0,23.55,0.49,0.0,515.934687938,0.0,20.4,2.0,0.0,0.0
1435,Difenoxin,solid,A07DA,A07D,A07,A,424.5341,2.65,0.00208,-5.3,1.0,3.38,137.24,4.0,1.0,7.0,64.33,9.41,0.0,424.21507815,1.0,47.59,4.0,0.0,1.0
1458,Dextromoramide,solid,N02AC,N02A,N02,N,392.543,3.75,0.0175,-4.4,1.0,,117.37,4.0,0.0,6.0,32.78,7.77,1.0,392.246378278,1.0,44.36,3.0,1.0,1.0
1463,Chlorhexadol,solid,N05CC,N05C,N05,N,265.562,1.82,1.24,-2.3,1.0,9.67,58.63,0.0,2.0,5.0,49.69,-2.7,1.0,264.008677467,0.0,24.4,3.0,0.0,1.0
1467,Acetyldihydrocodeine,solid,R05DA,R05D,R05,R,343.4168,1.99,0.134,-3.4,1.0,,92.79,5.0,0.0,3.0,48.0,9.3,1.0,343.178358293,0.0,36.75,4.0,1.0,1.0
1473,Flunitrazepam,solid,N05CD,N05C,N05,N,313.2832,2.55,0.00858,-4.6,1.0,,81.54,3.0,0.0,2.0,75.81,1.72,1.0,313.08626947,0.0,29.67,4.0,0.0,1.0
1474,Ethyl loflazepate,solid,N05BA,N05B,N05,N,360.767,3.85,0.00525,-4.8,1.0,9.49,92.41,3.0,1.0,4.0,67.76,-1.4,1.0,360.067698236,0.0,35.03,3.0,0.0,1.0
1480,Dihydrocodeine,solid,N02AA,N02A,N02,N,301.3801,1.55,2.38,-2.1,1.0,14.15,83.64,5.0,1.0,1.0,41.93,9.33,1.0,301.167793607,0.0,32.8,4.0,1.0,1.0
1482,Cloxazolam,solid,N05BA,N05B,N05,N,349.211,4.13,0.0266,-4.1,1.0,12.69,91.05,4.0,1.0,1.0,41.57,2.71,1.0,348.043233116,0.0,33.62,3.0,0.0,1.0
1487,Bromazepam,solid,N05BA,N05B,N05,N,316.153,2.54,0.0399,-3.9,1.0,12.24,76.99,3.0,1.0,1.0,54.35,2.65,1.0,315.000724604,0.0,28.11,3.0,0.0,1.0
1488,Clotiazepam,solid,N05BA,N05B,N05,N,318.821,4.11,0.00537,-4.8,1.0,,85.66,3.0,0.0,2.0,32.67,2.39,1.0,318.059361509,0.0,33.01,2.0,0.0,1.0
1492,Chloral hydrate,solid,N05CC,N05C,N05,N,165.403,0.69,43.4,-0.58,1.0,9.51,29.25,0.0,2.0,1.0,40.46,-5.1,0.0,163.919862461,0.0,11.88,2.0,0.0,1.0
1496,Fludiazepam,solid,N05BA,N05B,N05,N,302.731,3.22,0.0144,-4.3,1.0,,80.03,3.0,0.0,1.0,32.67,1.89,1.0,302.062218928,0.0,29.45,2.0,0.0,1.0
1505,Dextroamphetamine,liquid,N06BA,N06B,N06,N,135.2062,1.8,1.74,-1.9,1.0,,43.71,1.0,1.0,2.0,26.02,10.01,0.0,135.104799421,0.0,16.08,1.0,1.0,1.0
1506,Metamfetamine,solid,N06BA,N06B,N06,N,149.2328,2.24,0.928,-2.2,1.0,,48.48,1.0,1.0,3.0,12.03,10.21,0.0,149.120449485,0.0,18.04,1.0,1.0,1.0
1507,Metrizamide,solid,V08AB,V08A,V08,V,789.1,-0.88,0.335,-3.4,0.0,11.75,142.05,1.0,6.0,9.0,176.5,-2.0,0.0,788.8541,0.0,55.68,8.0,0.0,0.0
1509,Oxprenolol,solid,C07BA,C07B,C07,C,265.348,2.17,0.68,-2.6,1.0,14.09,76.0,1.0,2.0,9.0,50.72,9.67,1.0,265.167793607,0.0,30.31,4.0,1.0,1.0
1510,Sulfamerazine,solid,J01ED,J01E,J01,J,264.304,0.52,0.304,-2.9,1.0,6.99,68.79,2.0,2.0,2.0,97.97,2.0,1.0,264.068096338,0.0,26.53,5.0,-1.0,1.0
1511,Sulfamethazine,solid,J01EB,J01E,J01,J,278.33,0.65,0.23,-3.1,1.0,6.99,73.38,2.0,2.0,2.0,97.97,2.0,1.0,278.083746402,0.0,28.8,5.0,-1.0,1.0
1514,Ursodeoxycholic acid,solid,A05AA,A05A,A05,A,392.572,3.71,0.0197,-4.3,1.0,4.6,109.27,4.0,3.0,4.0,77.76,-0.54,1.0,392.292659768,0.0,46.42,4.0,-1.0,1.0
1515,Ketazolam,solid,N05BA,N05B,N05,N,368.814,3.01,0.0839,-3.6,1.0,14.2,99.78,4.0,0.0,1.0,49.85,-1.5,1.0,368.092770127,0.0,36.96,3.0,0.0,1.0
1516,Prazepam,solid,N05BA,N05B,N05,N,324.804,3.86,0.00399,-4.9,1.0,,91.75,4.0,0.0,3.0,32.67,3.06,1.0,324.102940883,0.0,34.77,2.0,0.0,1.0
1517,Quazepam,solid,N05CD,N05C,N05,N,386.794,5.06,0.00231,-5.2,1.0,18.93,93.47,3.0,0.0,3.0,15.6,2.59,1.0,386.026759579,0.0,33.99,1.0,0.0,0.0
1518,Everolimus,solid,L01EG,L01E,L01,L,958.24,7.4,0.00163,-5.8,0.0,9.96,261.71,4.0,3.0,9.0,204.66,-2.7,0.0,957.581356357,1.0,106.61,13.0,0.0,0.0
1519,Solifenacin,solid,G04BD,G04B,G04,G,362.473,3.96,0.0729,-3.7,1.0,,106.06,5.0,0.0,3.0,32.78,8.88,1.0,362.199428085,0.0,40.13,2.0,1.0,1.0
1522,Cinolazepam,solid,N05CD,N05C,N05,N,357.766,2.7,0.012,-4.5,1.0,10.68,90.99,3.0,1.0,3.0,76.69,-2.5,1.0,357.068032587,0.0,34.13,4.0,0.0,1.0
1523,Nitrazepam,solid,N05CD,N05C,N05,N,281.2661,2.55,0.0299,-4.0,1.0,11.66,78.21,3.0,1.0,2.0,84.6,2.65,1.0,281.080041233,0.0,27.67,4.0,0.0,1.0
1524,Cilastatin,solid,J01DH,J01D,J01,J,358.453,-1.3,0.1,-3.6,1.0,2.53,92.85,1.0,4.0,11.0,129.72,9.14,0.0,358.156242642,0.0,38.28,6.0,-1.0,1.0
1525,Imipenem,solid,J01DH,J01D,J01,J,299.346,-3.9,0.776,-2.6,1.0,3.44,75.84,2.0,3.0,6.0,116.22,10.88,0.0,299.093976737,0.0,31.1,6.0,0.0,1.0
1526,Probucol,solid,C10AX,C10A,C10,C,516.842,10.57,4.18e-05,-7.1,0.0,10.29,159.26,2.0,2.0,8.0,40.46,-5.1,0.0,516.30957216,0.0,62.35,2.0,0.0,0.0
1527,Tiaprofenic acid,solid,M01AE,M01A,M01,M,260.308,3.66,0.0324,-3.9,1.0,4.03,69.19,2.0,1.0,4.0,54.37,-7.8,1.0,260.05071494,0.0,26.78,3.0,-1.0,1.0
1528,Lopinavir,solid,J05AR,J05A,J05,J,628.8008,4.69,0.00192,-5.5,0.0,13.39,179.36,4.0,4.0,15.0,120.0,-1.5,0.0,628.362470666,1.0,68.78,5.0,0.0,0.0
1529,Bacampicillin,solid,J01CR,J01C,J01,J,465.52,1.47,0.123,-3.6,1.0,11.72,113.76,3.0,2.0,10.0,137.26,7.23,1.0,465.156970923,1.0,46.8,6.0,1.0,1.0
1530,Meticillin,solid,J01CR,J01C,J01,J,380.415,0.79,0.31,-3.1,1.0,2.96,93.4,3.0,2.0,5.0,105.17,-2.1,1.0,380.104207072,0.0,37.27,6.0,-1.0,1.0
1531,Pivampicillin,solid,J01CR,J01C,J01,J,463.547,2.07,0.0354,-4.1,1.0,11.71,116.25,3.0,2.0,9.0,128.03,7.23,1.0,463.177706365,1.0,47.54,5.0,1.0,1.0
1532,Pivmecillinam,solid,J01CR,J01C,J01,J,439.569,2.91,0.0526,-3.9,1.0,13.66,113.03,3.0,0.0,7.0,88.51,7.91,1.0,439.214091871,1.0,47.68,5.0,1.0,1.0
1533,Tazobactam,solid,J01CG,J01C,J01,J,300.291,-1.4,9.59,-1.5,1.0,2.86,74.82,3.0,1.0,3.0,122.46,0.75,0.0,300.052840204,0.0,26.22,7.0,-1.0,1.0
1534,Ticarcillin,solid,J01CR,J01C,J01,J,384.427,0.6,0.0716,-3.7,1.0,3.09,87.93,3.0,3.0,5.0,124.01,-6.3,1.0,384.044977634,0.0,36.14,6.0,-2.0,1.0
1535,Periciazine,solid,N05AC,N05A,N05,N,365.492,3.11,0.059,-3.8,1.0,15.18,108.4,4.0,1.0,4.0,50.5,8.37,1.0,365.156183063,0.0,40.87,4.0,1.0,1.0
1536,Deferasirox,solid,V03AC,V03A,V03,V,373.3615,4.74,0.0343,-4.0,1.0,4.51,125.32,4.0,3.0,4.0,108.47,-0.089,1.0,373.106255983,0.0,38.52,6.0,-1.0,1.0
1537,Valganciclovir,solid,J05AB,J05A,J05,J,354.3617,-0.69,4.79,-1.9,1.0,11.98,86.6,2.0,4.0,9.0,167.08,7.48,0.0,354.165167844,0.0,34.88,9.0,1.0,1.0
1538,Hydroxychloroquine,solid,P01BA,P01B,P01,P,335.872,2.89,0.0261,-4.1,1.0,15.59,97.97,2.0,2.0,9.0,48.39,9.76,1.0,335.176440176,0.0,38.3,4.0,2.0,1.0
1539,Amyl Nitrite,liquid,V03AB,V03A,V03,V,117.1463,2.31,3.97,-1.5,1.0,,31.68,0.0,0.0,5.0,38.66,-1.8,0.0,117.078978601,0.0,12.84,2.0,0.0,1.0
1540,Erythrityl tetranitrate,solid,C01DA,C01D,C01,C,302.11,0.32,0.195,-3.2,0.0,,49.24,0.0,0.0,11.0,209.48,-5.5,1.0,301.998221676,0.0,20.55,12.0,0.0,0.0
1541,Acepromazine,liquid,N05AA,N05A,N05,N,326.456,3.49,0.0098,-4.5,1.0,16.06,99.35,3.0,0.0,5.0,23.55,9.11,1.0,326.145284026,0.0,37.17,3.0,1.0,1.0
1543,Alverine,solid,A03AX,A03A,A03,A,281.4351,5.46,0.00096,-5.5,1.0,,92.67,2.0,0.0,9.0,3.24,10.44,1.0,281.214349869,0.0,35.42,1.0,1.0,0.0
1544,Molindone,solid,N05AE,N05A,N05,N,276.374,2.04,0.474,-2.8,1.0,15.43,81.06,3.0,1.0,3.0,45.33,6.65,1.0,276.183778022,0.0,32.0,3.0,0.0,1.0
1545,Phenindamine,solid,R06AX,R06A,R06,R,261.3609,3.62,0.0277,-4.0,1.0,16.62,85.03,4.0,0.0,1.0,3.24,9.0,1.0,261.151749613,0.0,31.13,1.0,1.0,1.0
1546,Pheniramine,solid,R06AB,R06A,R06,R,240.3434,2.98,0.377,-2.8,1.0,,76.05,2.0,0.0,5.0,16.13,9.48,1.0,240.16264865,0.0,28.41,2.0,1.0,1.0
1547,Pipotiazine,solid,N05AC,N05A,N05,N,475.667,3.13,0.0127,-4.6,1.0,17.09,134.12,4.0,1.0,7.0,64.09,8.86,0.0,475.196333317,1.0,53.3,5.0,1.0,1.0
1548,Thioproperazine,solid,N05AB,N05A,N05,N,446.629,2.83,0.0569,-3.9,1.0,,126.95,4.0,0.0,5.0,47.1,7.96,1.0,446.181017604,0.0,49.62,5.0,1.0,1.0
1549,Thiothixene,solid,N05AF,N05A,N05,N,443.625,3.36,0.0139,-4.5,1.0,,137.85,4.0,0.0,4.0,43.86,8.16,0.0,443.170118567,0.0,50.35,4.0,1.0,1.0
1550,Zuclopenthixol,liquid,N05AF,N05A,N05,N,400.965,4.22,0.0026,-5.2,1.0,15.59,127.0,4.0,1.0,5.0,26.71,8.03,1.0,400.137611829,0.0,45.29,3.0,1.0,1.0
1551,Isopropamide,solid,A03CA,A03C,A03,A,353.5209,0.14,4.24e-05,-7.0,1.0,16.31,120.74,2.0,1.0,8.0,43.09,-3.3,1.0,353.259288688,0.0,41.28,1.0,1.0,1.0
1552,Pargyline,solid,C02LL,C02L,C02,C,159.2276,2.14,0.0998,-3.2,1.0,,52.18,1.0,0.0,3.0,3.24,8.05,0.0,159.104799421,0.0,18.78,1.0,1.0,1.0
1553,Lincomycin,solid,J01FF,J01F,J01,J,406.54,-0.32,29.3,-1.1,1.0,12.37,102.67,2.0,5.0,7.0,122.49,7.97,1.0,406.213757997,0.0,43.65,7.0,1.0,1.0
1554,Etoricoxib,solid,M01AH,M01A,M01,M,358.842,2.79,0.00328,-5.0,1.0,16.19,95.04,3.0,0.0,3.0,59.92,4.96,1.0,358.054276131,0.0,36.42,4.0,0.0,1.0
1563,Sorbitol,solid,B05CX,B05C,B05,B,182.1718,-3.7,229.0,0.1,1.0,12.59,38.4,0.0,6.0,5.0,121.38,-3.0,0.0,182.07903818,0.0,17.12,6.0,0.0,0.0
1579,Roflumilast,solid,R03DX,R03D,R03,R,403.207,4.45,0.0062,-4.8,1.0,13.3,93.92,3.0,1.0,7.0,60.45,2.4,1.0,402.034954148,1.0,35.9,4.0,0.0,1.0
1599,Fumaric acid,solid,D05AX,D05A,D05,D,116.0722,-0.041,24.1,-0.68,1.0,3.35,24.61,0.0,2.0,2.0,74.6,,0.0,116.010958616,0.0,9.35,4.0,-2.0,1.0
1609,P-Cresol,solid,,,,,108.1378,2.18,23.1,-0.67,1.0,10.36,33.08,1.0,1.0,0.0,20.23,-5.4,0.0,108.057514878,0.0,11.93,1.0,0.0,1.0
1617,Rutin,solid,C05CA,C05C,C05,C,610.5175,-0.87,3.54,-2.2,0.0,6.37,140.15,5.0,10.0,6.0,265.52,-3.7,0.0,610.153384912,1.0,57.08,16.0,-1.0,0.0
1627,Prasterone,solid,G03EA,G03E,G03,G,288.4244,3.36,0.0438,-3.8,1.0,18.2,84.66,4.0,1.0,0.0,37.3,-1.4,1.0,288.20893014,0.0,34.1,2.0,0.0,1.0
1637,Cetrimonium,solid,D08AJ,D08A,D08,D,284.5435,2.69,5.24e-06,-7.8,1.0,,104.99,0.0,0.0,15.0,0.0,,1.0,284.331725349,0.0,41.09,0.0,1.0,1.0
1660,Camphor,solid,C01EB,C01E,C01,C,152.2334,2.55,0.88,-2.2,1.0,,44.49,2.0,0.0,0.0,17.07,-7.5,0.0,152.120115134,0.0,17.74,1.0,0.0,1.0
1689,M-Cresol,solid,,,,,108.1378,2.18,25.1,-0.63,1.0,10.13,33.08,1.0,1.0,0.0,20.23,-5.5,0.0,108.057514878,0.0,11.91,1.0,0.0,1.0
1695,Pantothenic acid,solid,D03AX,D03A,D03,D,219.235,-1.4,60.5,-0.56,1.0,4.35,51.51,0.0,4.0,6.0,106.86,-2.8,0.0,219.110672659,0.0,21.99,5.0,-1.0,1.0
1749,Propylene glycol,solid,,,,,76.0944,-0.79,952.0,1.1,1.0,14.47,18.97,0.0,2.0,1.0,40.46,-2.9,0.0,76.0524295,0.0,8.01,2.0,0.0,1.0
1852,"1,4-Butanediol",solid,,,,,90.121,-0.63,675.0,0.87,1.0,15.67,24.06,0.0,2.0,3.0,40.46,-2.4,0.0,90.068079564,0.0,10.16,2.0,0.0,1.0
1853,Taurine,solid,,,,,125.147,-2.6,105.0,-0.08,1.0,-1.5,24.61,0.0,2.0,2.0,80.39,9.34,0.0,125.014663785,0.0,10.82,4.0,0.0,1.0
1854,3-Chlorophenol,solid,,,,,128.556,2.27,14.6,-0.94,1.0,8.79,32.84,1.0,1.0,0.0,20.23,-6.3,0.0,128.002892489,0.0,12.0,1.0,0.0,1.0
1974,"N,N-dimethylglycine",solid,,,,,103.1198,-3.1,939.0,0.96,1.0,1.88,26.07,0.0,1.0,2.0,40.54,9.69,0.0,103.063328537,0.0,10.47,3.0,0.0,1.0
2035,Butyl alcohol,solid,,,,,74.1216,0.81,158.0,0.33,1.0,16.95,22.13,0.0,1.0,2.0,20.23,-1.9,0.0,74.073164942,0.0,9.21,1.0,0.0,1.0
2087,"(S)-butane-1,3-diol",solid,,,,,90.121,-0.73,742.0,0.92,1.0,15.41,23.84,0.0,2.0,2.0,40.46,-2.4,0.0,90.068079564,0.0,9.97,2.0,0.0,1.0
2112,"1,2-Dihydroxybenzene",solid,,,,,110.1106,1.37,75.0,-0.17,1.0,9.34,30.02,1.0,2.0,0.0,40.46,-6.3,0.0,110.036779436,0.0,10.69,2.0,0.0,1.0
2119,Laevulinic Acid,solid,,,,,116.1152,-0.069,139.0,0.08,1.0,4.32,27.09,0.0,1.0,3.0,54.37,-7.3,0.0,116.047344122,0.0,11.23,3.0,-1.0,1.0
2127,2-Ethoxyethanol,solid,,,,,90.121,-0.21,585.0,0.81,1.0,15.12,24.05,0.0,1.0,3.0,29.46,-2.7,0.0,90.068079564,0.0,10.27,2.0,0.0,1.0
2143,Flufenamic acid,solid,M01AG,M01A,M01,M,281.2299,5.25,0.008,-4.6,1.0,3.88,67.77,2.0,2.0,4.0,49.33,-2.1,1.0,281.066363184,0.0,24.67,3.0,-1.0,0.0
2175,Calcipotriol,solid,D05AX,D05A,D05,D,412.6047,3.84,0.0135,-4.5,1.0,14.39,125.45,4.0,3.0,5.0,60.69,-1.6,1.0,412.297745146,0.0,49.59,3.0,0.0,1.0
2200,Isopropyl alcohol,solid,D08AX,D08A,D08,D,60.095,0.25,378.0,0.8,1.0,17.26,17.43,0.0,1.0,0.0,20.23,-1.8,0.0,60.057514878,0.0,7.14,1.0,0.0,1.0
2204,Carbenoxolone,solid,A02BX,A02B,A02,A,570.7566,6.3,0.000738,-5.9,0.0,4.04,154.31,5.0,2.0,6.0,117.97,-5.1,0.0,570.355653954,1.0,64.99,6.0,-2.0,0.0
2234,Aminobenzoic acid,solid,D02BA,D02B,D02,D,137.136,0.8,4.41,-1.5,1.0,4.77,38.01,1.0,2.0,1.0,63.32,2.69,0.0,137.047678473,0.0,13.44,3.0,-1.0,1.0
2255,Tolrestat,solid,A10XA,A10X,A10,A,357.347,3.35,0.0076,-4.7,1.0,3.95,87.89,2.0,1.0,5.0,49.77,-4.9,1.0,357.064648624,0.0,32.11,3.0,-1.0,1.0
2272,2-Fluoroaniline,solid,,,,,111.1169,1.29,12.7,-0.94,1.0,19.81,30.97,1.0,1.0,0.0,26.02,2.98,0.0,111.048427402,0.0,10.38,1.0,0.0,1.0
2286,"2,4,6-Tribromophenol",solid,,,,,330.799,3.98,0.0545,-3.8,1.0,6.34,50.91,1.0,1.0,0.0,20.23,-7.7,0.0,327.773402659,0.0,19.92,1.0,-1.0,1.0
2375,Thymol,solid,,,,,150.2176,3.43,0.643,-2.4,1.0,10.59,47.27,1.0,1.0,1.0,20.23,-5.2,0.0,150.10446507,0.0,17.84,1.0,0.0,1.0
2406,Vorinostat,solid,L01XH,L01X,L01,L,264.3202,2.0,0.0716,-3.6,1.0,8.91,73.81,1.0,3.0,8.0,78.43,-3.5,1.0,264.147392516,0.0,28.39,3.0,0.0,1.0
2434,F-Loop of Vitamin B12,solid,,,,,76.1176,-0.9,99.9,-0.05,1.0,15.3,31.92,0.0,2.0,1.0,47.87,9.6,0.0,76.076238947,0.0,8.77,1.0,1.0,1.0
2462,2-Butanol,solid,,,,,74.1216,0.78,195.0,0.42,1.0,17.69,21.95,0.0,1.0,1.0,20.23,-1.6,0.0,74.073164942,0.0,9.03,1.0,0.0,1.0
2493,Fumagillin,solid,P01AX,P01A,P01,P,458.551,4.05,0.0033,-5.1,1.0,4.88,128.37,3.0,1.0,11.0,97.89,-3.7,1.0,458.230453435,1.0,51.13,6.0,-1.0,1.0
2511,Cholic Acid,solid,A05AA,A05A,A05,A,408.5714,2.48,0.0738,-3.7,1.0,4.48,110.79,4.0,4.0,4.0,97.99,-0.16,1.0,408.28757439,0.0,47.05,5.0,-1.0,1.0
2549,Nicotinamide,solid,A11HA,A11H,A11,A,122.1246,-0.39,500000.0,0.61,1.0,13.39,32.98,1.0,1.0,1.0,55.98,3.63,0.0,122.048012824,0.0,11.71,2.0,0.0,1.0
2551,Fusidic acid,solid,S01AA,S01A,S01,S,516.7092,4.42,0.00521,-5.0,1.0,4.46,144.12,4.0,3.0,6.0,104.06,-0.2,0.0,516.345089268,1.0,59.76,5.0,-1.0,0.0
2582,Acetamide,solid,,,,,59.0672,-1.0,369.0,0.8,1.0,16.75,14.47,0.0,1.0,0.0,43.09,-1.4,0.0,59.037113787,0.0,5.76,1.0,0.0,1.0
2600,Pyrazole,solid,,,,,68.0773,0.28,484.0,0.85,1.0,14.76,19.75,1.0,1.0,0.0,28.68,2.67,0.0,68.037448138,0.0,6.53,1.0,0.0,1.0
2612,Sucrose,solid,,,,,342.2965,-4.5,824.0,0.38,0.0,11.84,68.77,2.0,8.0,5.0,189.53,-3.0,0.0,342.116211546,0.0,31.04,11.0,0.0,0.0
2632,P-Anisic Acid,solid,,,,,152.1473,1.47,2.0,-1.9,1.0,4.37,39.78,1.0,1.0,2.0,46.53,-4.8,0.0,152.047344122,0.0,14.99,3.0,-1.0,1.0
2643,2-Methoxyethanol,solid,,,,,76.0944,-0.57,812.0,1.03,1.0,15.12,19.3,0.0,1.0,2.0,29.46,-2.7,0.0,76.0524295,0.0,8.22,2.0,0.0,1.0
2733,Stanolone,solid,A14AA,A14A,A14,A,290.4403,3.41,0.00998,-4.5,1.0,19.38,83.6,4.0,1.0,0.0,37.3,-0.88,1.0,290.224580204,0.0,34.54,2.0,0.0,1.0
2756,Piretanide,solid,C03CA,C03C,C03,C,362.4,2.25,0.0914,-3.6,1.0,4.68,93.68,3.0,2.0,5.0,109.93,-0.62,1.0,362.093642386,0.0,35.84,5.0,-1.0,1.0
2787,Oxitriptan,solid,N06AX,N06A,N06,N,220.2246,-1.4,3.63,-1.8,1.0,2.15,58.18,2.0,4.0,3.0,99.34,9.18,0.0,220.08479226,0.0,22.03,4.0,0.0,1.0
2790,Benzimidazole,solid,,,,,118.1359,1.26,17.0,-0.84,1.0,12.25,34.97,2.0,1.0,0.0,28.68,5.79,0.0,118.053098202,0.0,12.21,1.0,0.0,1.0
2908,Pidolic acid,solid,A12CC,A12C,A12,A,129.114,-0.89,151.0,0.07,1.0,3.61,28.09,1.0,2.0,1.0,66.4,-2.2,0.0,129.042593095,0.0,11.56,3.0,-1.0,1.0
2944,Acetylcholine,solid,S01EB,S01E,S01,S,146.2074,-4.2,0.136,-3.1,1.0,,51.35,0.0,0.0,4.0,26.3,-7.0,0.0,146.118103761,0.0,16.69,1.0,1.0,1.0
2980,Acetic acid,solid,S02AA,S02A,S02,S,60.052,-0.22,323.0,0.73,1.0,4.54,12.64,0.0,1.0,0.0,37.3,,0.0,60.021129372,0.0,5.34,2.0,-1.0,1.0
2989,Propyl alcohol,solid,D08AX,D08A,D08,D,60.095,0.36,391.0,0.81,1.0,16.85,17.53,0.0,1.0,1.0,20.23,-2.0,0.0,60.057514878,0.0,7.23,1.0,0.0,1.0
3068,Phenol,solid,C05BB,C05B,C05,C,94.1112,1.67,46.6,-0.31,1.0,10.02,28.04,1.0,1.0,0.0,20.23,-5.5,0.0,94.041864814,0.0,9.81,1.0,0.0,1.0
3152,Mercaptoethanol,solid,,,,,78.133,-0.11,29.2,-0.43,1.0,9.97,20.74,0.0,2.0,1.0,20.23,-2.5,0.0,78.013935504,0.0,8.19,1.0,0.0,1.0
3172,Imidazole,solid,,,,,68.0773,-0.15,538.0,0.9,1.0,13.4,19.01,1.0,1.0,0.0,28.68,6.97,0.0,68.037448138,0.0,6.56,1.0,0.0,1.0
3222,Uracil,solid,,,,,112.0868,-0.86,26.5,-0.63,1.0,8.8,25.97,1.0,2.0,0.0,58.2,-5.5,0.0,112.027277382,0.0,9.37,2.0,0.0,1.0
3351,P-Hydroxybenzaldehyde,solid,,,,,122.1213,1.38,9.51,-1.1,1.0,7.32,34.62,1.0,1.0,1.0,37.3,-7.1,0.0,122.036779436,0.0,11.98,2.0,-1.0,1.0
3364,Phencyclidine,solid,,,,,243.3871,4.49,0.00325,-4.9,1.0,,77.65,3.0,0.0,2.0,3.24,10.56,1.0,243.198699805,0.0,29.66,1.0,1.0,1.0
3372,Oxyphenbutazone,solid,M01AA,M01A,M01,M,324.3737,3.83,0.256,-3.1,1.0,4.73,90.74,3.0,1.0,5.0,60.85,-6.0,1.0,324.147392516,0.0,35.13,3.0,-1.0,1.0
3390,Tiratricol,solid,H03AA,H03A,H03,H,621.9323,5.59,0.00539,-5.1,0.0,2.31,105.67,2.0,2.0,4.0,66.76,-3.7,0.0,621.763489036,0.0,40.54,3.0,-1.0,0.0
3401,Ribostamycin,solid,J01GB,J01G,J01,J,454.4727,-6.4,88.7,-0.71,0.0,12.19,100.17,3.0,10.0,6.0,262.38,9.67,0.0,454.227493328,1.0,44.9,14.0,4.0,0.0
3405,Deoxycholic acid,solid,D11AX,D11A,D11,D,392.572,3.79,0.0173,-4.4,1.0,4.65,109.2,4.0,3.0,4.0,77.76,-0.35,1.0,392.292659768,0.0,46.3,4.0,-1.0,1.0
3529,Tromethamine,solid,B05XX,B05X,B05,B,121.135,-2.7,695.0,0.76,1.0,14.16,28.36,0.0,4.0,3.0,86.71,8.95,0.0,121.073893223,0.0,12.02,4.0,1.0,1.0
3540,Propanoic acid,solid,S01AX,S01A,S01,S,74.0785,0.48,352.0,0.68,1.0,4.75,17.27,0.0,1.0,1.0,37.3,,0.0,74.036779436,0.0,7.24,2.0,-1.0,1.0
3556,Phenacetin,solid,N02BE,N02B,N02,N,179.2157,1.41,1.78,-2.0,1.0,14.98,52.13,1.0,1.0,3.0,38.33,-4.2,1.0,179.094628665,0.0,19.82,2.0,0.0,1.0
3565,Benzoic acid,solid,A16AX,A16A,A16,A,122.123,1.63,7.08,-1.2,1.0,4.08,33.31,1.0,1.0,1.0,37.3,,0.0,122.036779433,0.0,11.97,2.0,-1.0,1.0
3578,Hexamidine,solid,S03AA,S03A,S03,S,354.446,2.77,0.0142,-4.4,1.0,,125.13,2.0,4.0,11.0,118.2,12.13,1.0,354.205576096,0.0,40.85,6.0,2.0,1.0
3621,Eucalyptol,liquid,R05CA,R05C,R05,R,154.2493,2.35,0.0225,-3.8,1.0,,45.86,2.0,0.0,0.0,9.23,-4.2,0.0,154.135765198,0.0,18.54,1.0,0.0,1.0
3671,Urea,solid,D02AE,D02A,D02,D,60.0553,-1.4,412.0,0.84,1.0,15.73,13.14,0.0,2.0,0.0,69.11,-2.4,0.0,60.03236276,0.0,5.1,1.0,0.0,1.0
3757,Ethanolamine,solid,,,,,61.0831,-1.3,849.0,1.14,1.0,15.61,16.21,0.0,2.0,1.0,46.25,9.55,0.0,61.052763851,0.0,6.63,2.0,1.0,1.0
3863,Fotemustine,solid,L01AD,L01A,L01,L,315.691,1.28,4.11,-1.9,1.0,11.81,71.42,0.0,1.0,9.0,97.3,-5.4,1.0,315.075084952,0.0,29.0,3.0,0.0,1.0
3901,Nicotinyl alcohol,solid,C10AD,C10A,C10,C,109.1259,-0.012,312.0,0.46,1.0,14.69,30.72,1.0,1.0,1.0,33.12,4.73,0.0,109.052763851,0.0,11.23,2.0,0.0,1.0
3920,Valpromide,solid,N03AG,N03A,N03,N,143.2267,1.99,3.52,-1.6,1.0,17.09,42.07,0.0,1.0,5.0,43.09,-1.1,0.0,143.131014171,0.0,17.37,1.0,0.0,1.0
3928,Fructose,solid,V06DC,V06D,V06,V,180.1559,-2.8,1110.0,0.79,1.0,10.28,36.36,1.0,5.0,2.0,110.38,-3.0,0.0,180.063388116,0.0,16.3,6.0,0.0,1.0
3961,Dequalinium,solid,D08AH,D08A,D08,D,456.6654,-3.6,4.77e-07,-9.0,1.0,,147.0,4.0,2.0,11.0,59.8,-0.34,0.0,456.3252973,1.0,56.76,2.0,2.0,1.0
4021,Citric acid,solid,A09AB,A09A,A09,A,192.1235,-1.3,106.0,-0.26,1.0,3.05,35.62,0.0,4.0,5.0,132.13,-4.2,0.0,192.02700261,0.0,15.54,7.0,-3.0,1.0
4080,Inosine,solid,G01AX,G01A,G01,G,268.2261,-2.0,14.3,-1.3,1.0,10.93,60.9,3.0,4.0,2.0,129.2,2.74,0.0,268.080769514,0.0,24.6,8.0,0.0,1.0
4084,Carbocisteine,solid,R05CB,R05C,R05,R,179.194,-3.3,21.6,-0.92,1.0,1.84,39.11,0.0,3.0,5.0,100.62,9.14,0.0,179.025228471,0.0,16.69,5.0,-1.0,1.0
4117,Meglutol,solid,C10AX,C10A,C10,C,162.1406,-0.75,275.0,0.23,1.0,3.68,34.14,0.0,3.0,4.0,94.83,-3.0,0.0,162.05282343,0.0,14.55,5.0,-2.0,1.0
4137,Lactic acid,solid,G01AD,G01A,G01,G,90.0779,-0.47,562.0,0.79,1.0,3.78,18.84,0.0,2.0,1.0,57.53,-3.7,0.0,90.031694058,0.0,8.05,3.0,-1.0,1.0
4151,P-Nitrophenol,solid,,,,,139.1088,1.61,3.6,-1.6,1.0,7.07,34.36,1.0,1.0,1.0,63.37,-7.1,0.0,139.026943031,0.0,12.22,3.0,-1.0,1.0
4277,Niflumic acid,solid,M02AA,M02A,M02,M,282.218,3.21,0.0883,-3.5,1.0,1.88,65.93,2.0,2.0,4.0,62.22,5.3,1.0,282.061612157,0.0,24.21,4.0,-1.0,1.0
4294,Latamoxef,solid,J01DD,J01D,J01,J,520.473,0.17,0.751,-2.8,0.0,2.81,133.7,4.0,4.0,9.0,206.3,-1.7,0.0,520.101246958,1.0,47.27,12.0,-2.0,0.0
4295,Trioxsalen,solid,D05BA,D05B,D05,D,228.2433,2.95,0.0627,-3.6,1.0,,64.86,3.0,0.0,0.0,39.44,-2.8,1.0,228.07864425,0.0,24.77,1.0,0.0,1.0
4296,Thiotepa,solid,L01AC,L01A,L01,L,189.218,-1.0,9.27,-1.3,1.0,,50.72,3.0,0.0,3.0,9.03,-0.3,0.0,189.048954601,0.0,18.22,3.0,0.0,1.0
4297,Estriol,solid,G03CC,G03C,G03,G,288.3814,2.67,0.119,-3.4,1.0,10.33,81.27,4.0,3.0,0.0,60.69,-3.2,1.0,288.172544634,0.0,33.08,3.0,0.0,1.0
4300,Fleroxacin,solid,J01MA,J01M,J01,J,369.344,1.12,0.284,-3.1,1.0,5.44,90.84,3.0,1.0,4.0,64.09,6.06,1.0,369.130025941,0.0,34.71,6.0,-1.0,1.0
4310,o-Bromophenol,liquid,,,,,173.007,2.44,7.6,-1.4,1.0,8.16,35.66,1.0,1.0,0.0,20.23,-6.7,0.0,171.952377429,0.0,13.05,1.0,0.0,1.0
4322,Aniracetam,solid,N06BX,N06B,N06,N,219.2365,1.11,2.47,-2.0,1.0,,58.96,2.0,0.0,2.0,46.61,-4.8,1.0,219.089543287,0.0,22.6,3.0,0.0,1.0
4350,Aldosterone,solid,H02AA,H02A,H02,H,360.444,1.06,0.148,-3.4,1.0,13.82,96.79,4.0,2.0,3.0,91.67,-2.9,1.0,360.193674006,0.0,38.82,5.0,0.0,1.0
4379,Choline alfoscerate,solid,N07AX,N07A,N07,N,257.223,-5.7,8.96,-1.5,1.0,1.86,68.68,0.0,2.0,8.0,99.05,-3.0,0.0,257.102824366,0.0,24.74,4.0,0.0,1.0
4428,Iodipamide,solid,V08AC,V08A,V08,V,1139.7618,8.25,0.00306,-5.6,0.0,2.03,183.98,2.0,4.0,9.0,132.8,-3.4,0.0,1139.51199671,0.0,69.72,6.0,-2.0,0.0
4459,Nimesulide,solid,M01AX,M01A,M01,M,308.31,1.79,0.0182,-4.2,1.0,6.7,75.3,2.0,1.0,4.0,98.54,-3.7,1.0,308.046692194,0.0,28.93,4.0,-1.0,1.0
4501,Suramin,solid,P01CX,P01C,P01,P,1297.28,5.58,0.00872,-5.2,0.0,-3.5,314.9,8.0,12.0,16.0,483.75,,0.0,1296.046905756,1.0,120.22,23.0,-6.0,0.0
4509,Bifonazole,solid,D01AC,D01A,D01,D,310.3917,5.23,0.00245,-5.1,1.0,,97.94,4.0,0.0,4.0,17.82,6.36,1.0,310.146998586,0.0,35.41,1.0,0.0,0.0
4527,Benoxaprofen,solid,M01AE,M01A,M01,M,301.724,4.13,0.0317,-4.0,1.0,4.66,88.51,3.0,1.0,3.0,63.33,0.091,1.0,301.050570962,0.0,31.34,3.0,-1.0,1.0
4528,Bithionol,solid,D10AB,D10A,D10,D,356.052,5.97,0.00166,-5.3,1.0,4.89,81.92,2.0,2.0,2.0,40.46,-7.2,0.0,353.884260954,0.0,31.3,2.0,-1.0,0.0
4530,Clioquinol,solid,G01AC,G01A,G01,G,305.5,3.36,0.264,-3.1,1.0,7.34,60.13,2.0,1.0,0.0,33.12,3.28,0.0,304.910434914,0.0,22.63,2.0,-1.0,1.0
4531,Dantron,solid,A06AB,A06A,A06,A,240.2109,3.61,0.305,-2.9,1.0,7.89,65.11,3.0,2.0,0.0,74.6,-5.6,1.0,240.042258744,0.0,23.19,4.0,0.0,1.0
4532,Metamizole,solid,N02BB,N02B,N02,N,311.36,-0.82,2.53,-2.1,1.0,-1.4,80.04,2.0,1.0,4.0,81.16,-0.54,0.0,311.093977213,0.0,31.41,6.0,-1.0,1.0
4533,Iproniazid,solid,N06AF,N06A,N06,N,179.219,0.31,0.674,-2.4,1.0,13.66,60.96,1.0,2.0,3.0,54.02,3.82,1.0,179.105862053,0.0,19.19,3.0,0.0,1.0
4534,Methapyrilene,solid,R06AC,R06A,R06,R,261.39,3.11,0.287,-3.0,1.0,,78.16,2.0,0.0,6.0,19.37,8.76,1.0,261.129968798,0.0,29.54,3.0,1.0,1.0
4535,Nialamide,solid,N06AF,N06A,N06,N,298.3397,0.39,0.0873,-3.5,1.0,13.65,93.91,2.0,3.0,7.0,83.12,3.41,1.0,298.14297584,0.0,32.07,4.0,0.0,1.0
4536,Nomifensine,solid,N06AX,N06A,N06,N,238.3275,2.62,0.318,-2.9,1.0,,77.18,3.0,1.0,1.0,29.26,8.8,1.0,238.146998586,0.0,27.53,2.0,1.0,1.0
4537,Oxeladin,solid,R05DB,R05D,R05,R,335.4809,4.43,0.0158,-4.3,1.0,,98.97,1.0,0.0,13.0,38.77,9.41,1.0,335.246043927,0.0,39.35,3.0,1.0,1.0
4538,Oxyphenisatin,solid,A06AB,A06A,A06,A,317.338,3.83,0.0125,-4.4,1.0,9.18,93.69,4.0,3.0,2.0,69.56,-6.0,1.0,317.105193351,0.0,33.07,3.0,0.0,1.0
4539,Phenolphthalein,solid,A06AB,A06A,A06,A,318.3228,4.35,0.00992,-4.5,1.0,9.16,91.04,4.0,2.0,2.0,66.76,-6.0,1.0,318.089208936,0.0,32.65,3.0,0.0,1.0
4540,Prenylamine,solid,C01DX,C01D,C01,C,329.4779,6.12,3.54e-05,-7.0,1.0,,107.09,3.0,1.0,8.0,12.03,10.48,0.0,329.214349869,1.0,39.76,1.0,1.0,0.0
4541,Thenalidine,solid,R06AX,R06A,R06,R,286.435,3.75,0.0883,-3.5,1.0,,87.44,3.0,0.0,4.0,6.48,8.69,1.0,286.150369404,0.0,32.89,2.0,1.0,1.0
4543,Zomepirac,solid,M01AB,M01A,M01,M,291.73,3.33,0.026,-4.0,1.0,3.83,77.2,2.0,1.0,4.0,59.3,-7.8,1.0,291.066221026,0.0,29.68,3.0,-1.0,1.0
4545,Buformin,solid,A10BA,A10B,A10,A,157.2168,-0.35,1.41,-2.0,1.0,18.1,44.64,0.0,3.0,3.0,102.78,11.52,0.0,157.132745505,0.0,17.67,5.0,2.0,1.0
4546,Tienilic acid,solid,C03CC,C03C,C03,C,331.171,3.87,0.00254,-5.1,1.0,3.22,75.68,2.0,1.0,5.0,63.6,-5.0,1.0,329.952034848,0.0,30.45,4.0,-1.0,1.0
4547,Zimelidine,solid,N06AB,N06A,N06,N,317.23,3.51,0.0239,-4.1,1.0,,93.94,2.0,0.0,4.0,16.13,8.62,1.0,316.057512,0.0,30.94,2.0,1.0,1.0
4548,Methaqualone,solid,N05CX,N05C,N05,N,250.2952,3.17,0.0407,-3.8,1.0,,77.11,3.0,0.0,0.0,32.67,1.18,1.0,250.11061308,0.0,27.32,2.0,0.0,1.0
4550,Maraviroc,solid,J05AX,J05A,J05,J,513.6655,3.63,0.0106,-4.7,1.0,13.98,142.88,5.0,1.0,8.0,63.05,9.65,0.0,513.327917369,1.0,56.02,4.0,1.0,0.0
4551,Amineptine,solid,N06AA,N06A,N06,N,337.463,2.74,0.000305,-6.0,1.0,4.41,101.21,3.0,2.0,8.0,49.33,9.17,1.0,337.204179113,1.0,39.7,3.0,0.0,1.0
4552,Clofedanol,solid,R05DB,R05D,R05,R,289.8,3.46,0.0621,-3.7,1.0,13.18,84.94,2.0,1.0,5.0,23.47,8.87,1.0,289.123341974,0.0,31.54,2.0,1.0,1.0
4553,Cyclandelate,solid,C04AX,C04A,C04,C,276.3707,3.72,0.0995,-3.4,1.0,11.99,78.06,2.0,1.0,4.0,46.53,-4.1,1.0,276.172544634,0.0,30.95,2.0,0.0,1.0
4554,Cyproterone acetate,solid,G03HB,G03H,G03,G,416.938,3.64,0.00152,-5.4,1.0,17.83,111.81,5.0,0.0,3.0,60.44,-5.6,1.0,416.175437123,0.0,44.64,3.0,0.0,1.0
4555,Debrisoquine,solid,C02CC,C02C,C02,C,175.2303,1.07,0.842,-2.3,1.0,,63.85,2.0,2.0,0.0,53.11,12.47,1.0,175.110947431,0.0,19.48,3.0,1.0,1.0
4556,Flunarizine,solid,N07CA,N07C,N07,N,404.4948,6.17,0.00168,-5.4,1.0,,120.3,4.0,0.0,6.0,6.48,7.22,0.0,404.206405252,1.0,44.2,2.0,1.0,0.0
4557,Fluspirilene,solid,N05AG,N05A,N05,N,475.5727,5.78,0.00167,-5.4,1.0,11.99,135.27,5.0,1.0,7.0,35.58,9.31,0.0,475.243519039,1.0,50.88,3.0,1.0,0.0
4558,Mepenzolate,solid,A03AB,A03A,A03,A,340.436,-0.97,0.000627,-5.8,1.0,11.05,109.4,3.0,1.0,5.0,46.53,-4.5,0.0,340.191268703,0.0,37.76,2.0,1.0,1.0
4559,Tetrabenazine,solid,N07XX,N07X,N07,N,317.4226,3.4,0.361,-2.9,1.0,19.3,91.31,3.0,0.0,4.0,38.77,7.33,1.0,317.199093735,0.0,36.59,4.0,1.0,1.0
4560,Ixabepilone,solid,L01DC,L01D,L01,L,506.7,3.39,0.00352,-5.2,1.0,13.85,136.71,3.0,3.0,2.0,112.05,2.73,0.0,506.281443634,0.0,56.86,6.0,0.0,0.0
4561,Celiprolol,solid,C07AB,C07A,C07,C,379.501,1.5,0.174,-3.3,1.0,13.55,108.25,1.0,3.0,10.0,90.9,9.66,1.0,379.247106555,0.0,43.18,5.0,1.0,1.0
4562,Roxadustat,solid,B03XA,B03X,B03,B,352.346,1.85,0.0115,-4.5,1.0,2.75,92.85,3.0,3.0,5.0,108.75,3.84,1.0,352.105921623,0.0,35.7,5.0,-1.0,1.0
4564,Cediranib,solid,L01EK,L01E,L01,L,450.5053,4.13,0.0155,-4.5,1.0,16.59,125.16,5.0,1.0,8.0,72.5,9.14,1.0,450.206718955,1.0,48.77,5.0,1.0,1.0
4569,Febuxostat,solid,M04AA,M04A,M04,M,316.375,3.52,0.0183,-4.2,1.0,3.08,93.93,2.0,1.0,5.0,83.21,0.39,1.0,316.088163078,0.0,33.88,5.0,-1.0,1.0
4570,Dronedarone,solid,C01BD,C01B,C01,C,556.756,5.18,0.00201,-5.4,0.0,9.18,158.13,3.0,1.0,17.0,88.85,10.31,0.0,556.297093218,1.0,66.05,5.0,1.0,0.0
4576,Nebivolol,solid,C07FB,C07F,C07,C,405.435,3.21,0.0403,-4.0,1.0,13.52,103.32,4.0,3.0,6.0,70.95,8.9,1.0,405.175164703,1.0,41.98,5.0,1.0,1.0
4580,Omacetaxine mepesuccinate,solid,L01XX,L01X,L01,L,545.6213,1.88,0.108,-3.7,0.0,12.09,142.07,5.0,2.0,11.0,123.99,9.42,0.0,545.262481851,1.0,57.62,8.0,1.0,0.0
4583,Nilotinib,solid,L01EA,L01E,L01,L,529.5158,5.36,0.00201,-5.4,0.0,12.38,152.85,5.0,2.0,7.0,97.62,5.92,0.0,529.183792976,1.0,52.35,6.0,0.0,0.0
4586,Lorcaserin,solid,A08AA,A08A,A08,A,195.69,2.83,0.0709,-3.4,1.0,,56.65,2.0,1.0,0.0,12.03,10.12,1.0,195.0814772,0.0,21.51,1.0,1.0,1.0
4591,Vildagliptin,solid,A10BH,A10B,A10,A,303.3993,-0.22,1.75,-2.2,1.0,14.71,82.0,4.0,2.0,3.0,76.36,9.03,1.0,303.194677059,0.0,33.17,4.0,1.0,1.0
4593,Voglibose,solid,A10BF,A10B,A10,A,267.2762,-4.9,190.0,-0.15,1.0,12.46,59.55,1.0,8.0,5.0,153.64,7.66,0.0,267.131802031,0.0,26.02,8.0,1.0,0.0
4595,Enoximone,solid,C01CE,C01C,C01,C,248.301,1.84,0.0682,-3.6,1.0,9.68,70.04,2.0,2.0,3.0,58.2,-7.8,1.0,248.061948328,0.0,25.67,2.0,0.0,1.0
4599,Dapoxetine,solid,G04BX,G04B,G04,G,305.4134,4.67,0.000837,-5.6,1.0,,96.14,3.0,0.0,6.0,12.47,8.96,1.0,305.177964363,1.0,35.0,2.0,1.0,1.0
4600,Cilansetron,solid,A03AE,A03A,A03,A,319.4002,2.83,0.115,-3.4,1.0,16.16,94.69,5.0,0.0,2.0,39.82,7.34,1.0,319.168462309,0.0,35.88,2.0,1.0,1.0
4609,Vapreotide,solid,H01CB,H01C,H01,H,1131.38,1.07,0.00401,-5.4,0.0,9.43,306.22,7.0,13.0,18.0,350.64,10.26,0.0,1130.48301423,1.0,118.22,11.0,2.0,0.0
4611,Milnacipran,solid,N06AX,N06A,N06,N,246.354,1.42,1.23,-2.3,1.0,,73.81,2.0,1.0,5.0,46.33,9.83,1.0,246.173213336,0.0,28.25,2.0,1.0,1.0
4613,Ximelagatran,solid,B01AE,B01A,B01,B,473.5652,0.87,0.0845,-3.8,1.0,8.7,126.57,3.0,4.0,11.0,146.35,5.48,1.0,473.263819255,1.0,52.18,7.0,0.0,1.0
4621,Flibanserin,solid,G02CX,G02C,G02,G,390.4021,3.83,0.178,-3.3,1.0,12.91,103.65,4.0,1.0,5.0,38.82,7.03,1.0,390.166745929,0.0,38.69,3.0,0.0,1.0
4624,Oritavancin,solid,J01XA,J01X,J01,J,1793.101,0.2,0.0588,-4.5,0.0,2.98,441.59,13.0,20.0,19.0,560.98,9.96,0.0,1790.564106447,1.0,178.55,27.0,2.0,0.0
4631,Clevidipine,solid,C08CA,C08C,C08,C,456.316,4.09,0.00267,-5.2,1.0,16.95,113.93,2.0,1.0,10.0,90.93,-6.5,1.0,455.090242887,0.0,45.14,4.0,0.0,1.0
4634,Itopride,solid,A03FA,A03F,A03,A,358.4314,2.32,0.0261,-4.1,1.0,14.71,102.05,2.0,1.0,9.0,60.03,8.77,1.0,358.18925733,0.0,40.58,5.0,1.0,1.0
4639,Permethrin,solid,P03AC,P03A,P03,P,391.288,5.7,6.91e-05,-6.8,1.0,,114.28,3.0,0.0,7.0,35.53,-3.7,0.0,390.07894992,1.0,39.43,1.0,0.0,0.0
4640,Afamelanotide,solid,D02BB,D02B,D02,D,1646.8452,-8.2,0.023,-4.9,0.0,3.46,434.35,6.0,23.0,50.0,642.98,11.58,0.0,1645.836510475,1.0,171.61,24.0,2.0,0.0
4645,Ospemifene,solid,G03XC,G03X,G03,G,378.891,5.56,0.000526,-5.9,1.0,15.1,121.68,3.0,1.0,8.0,29.46,-2.8,1.0,378.138657687,1.0,41.97,2.0,0.0,0.0
4649,Acadesine,solid,C01EB,C01E,C01,C,258.2313,-2.6,25.0,-1.0,1.0,12.45,58.27,2.0,5.0,3.0,156.85,4.82,0.0,258.096419578,0.0,24.03,7.0,0.0,1.0
4651,Iloperidone,solid,N05AX,N05A,N05,N,426.4806,3.22,0.0304,-4.2,1.0,16.14,116.65,4.0,0.0,8.0,64.8,8.53,1.0,426.195485567,1.0,46.51,5.0,1.0,1.0
4653,Lofexidine,solid,N07BC,N07B,N07,N,259.132,2.66,0.147,-3.2,1.0,,64.41,2.0,1.0,3.0,33.62,9.27,1.0,258.03266843,0.0,25.11,3.0,1.0,1.0
4656,Pirfenidone,solid,L04AX,L04A,L04,L,185.2218,2.14,2.89,-1.8,1.0,,57.0,2.0,0.0,1.0,20.31,-1.2,1.0,185.084063979,0.0,20.28,1.0,0.0,1.0
4658,Ezogabine,solid,N03AX,N03A,N03,N,303.3314,2.7,0.0307,-4.0,1.0,13.6,87.02,2.0,3.0,6.0,76.38,3.99,1.0,303.13830504,0.0,31.97,4.0,0.0,1.0
4680,Plitidepsin,solid,L01XX,L01X,L01,L,1110.357,3.98,0.0201,-4.7,0.0,10.91,288.14,4.0,4.0,15.0,284.74,-3.1,0.0,1109.626015129,1.0,117.17,13.0,0.0,0.0
4695,Satraplatin,solid,L01XA,L01X,L01,L,500.283,1.17,13.5,-1.4,1.0,,30.93,1.0,1.0,0.0,26.02,10.45,0.0,499.060437065,0.0,12.44,1.0,1.0,0.0
4708,Ingenol mebutate,solid,D06BX,D06B,D06,D,430.541,2.51,0.279,-3.2,1.0,12.13,117.86,4.0,3.0,4.0,104.06,-2.8,1.0,430.235538815,0.0,47.14,5.0,0.0,1.0
4710,Belinostat,solid,L01XH,L01X,L01,L,318.35,1.81,0.0285,-4.0,1.0,7.82,83.48,2.0,3.0,4.0,95.5,-5.1,1.0,318.067428113,0.0,30.99,4.0,0.0,1.0
4711,Ataluren,solid,M09AX,M09A,M09,M,284.242,3.92,0.117,-3.4,1.0,3.9,94.66,3.0,1.0,3.0,76.22,-1.6,1.0,284.059720369,0.0,27.66,4.0,-1.0,1.0
4713,Migalastat,solid,A16AX,A16A,A16,A,163.1717,-2.9,511.0,0.5,1.0,12.91,36.57,1.0,5.0,1.0,92.95,8.06,0.0,163.084457909,0.0,15.86,5.0,1.0,1.0
4720,Arimoclomol,solid,N07XX,N07X,N07,N,313.78,-0.44,0.237,-3.1,1.0,14.0,82.76,2.0,1.0,6.0,72.0,9.14,0.0,313.119319228,0.0,32.98,5.0,1.0,1.0
4729,Indacaterol,solid,R03AC,R03A,R03,R,392.4907,3.26,0.00798,-4.7,1.0,8.51,118.1,4.0,4.0,6.0,81.59,9.71,1.0,392.209992772,1.0,44.96,4.0,1.0,1.0
4746,Erdosteine,solid,R05CB,R05C,R05,R,249.307,-0.65,4.85,-1.7,1.0,3.79,57.92,1.0,2.0,5.0,83.47,-3.7,0.0,249.012949225,0.0,23.92,4.0,-1.0,1.0
4767,Ganaxolone,solid,N03AX,N03A,N03,N,332.528,4.27,0.000712,-5.7,1.0,19.1,97.54,4.0,1.0,1.0,37.3,-1.0,1.0,332.271530399,0.0,40.68,2.0,0.0,1.0
4784,Pleconaril,solid,J05AX,J05A,J05,J,381.349,5.04,0.0219,-4.2,1.0,,104.12,3.0,0.0,7.0,74.18,1.64,1.0,381.130026072,1.0,37.46,4.0,0.0,0.0
4788,Trabectedin,solid,L01CX,L01C,L01,L,761.837,4.19,0.328,-3.4,0.0,9.26,196.92,9.0,4.0,4.0,168.72,7.2,0.0,761.261829923,0.0,77.98,12.0,1.0,0.0
4832,Pretomanid,solid,J04AK,J04A,J04,J,359.2574,4.14,0.0117,-4.5,1.0,,72.91,3.0,0.0,6.0,88.65,-1.6,1.0,359.072905124,1.0,30.2,6.0,0.0,1.0
4845,Vintafolide,solid,L01CA,L01C,L01,L,1917.06,-12.0,0.0133,-5.2,0.0,2.47,492.22,12.0,23.0,44.0,716.39,11.9,0.0,1915.729405062,1.0,192.53,36.0,-2.0,0.0
4888,Crisaborole,solid,D11AH,D11A,D11,D,251.05,3.34,0.0234,-4.0,1.0,8.95,65.6,3.0,1.0,2.0,62.48,-3.7,1.0,251.075373,0.0,25.9,3.0,0.0,1.0
4897,Beraprost,solid,B01AC,B01A,B01,B,398.499,3.6,0.0099,-4.6,1.0,4.2,112.72,3.0,3.0,9.0,86.99,-1.4,1.0,398.209324066,1.0,44.74,5.0,-1.0,1.0
4905,Cobimetinib,solid,L01EE,L01E,L01,L,531.318,5.04,0.0422,-4.1,0.0,13.37,115.85,4.0,3.0,4.0,64.6,9.76,0.0,531.06306,0.0,44.75,4.0,1.0,0.0
4910,Silver sulfadiazine,solid,D06BA,D06B,D06,D,357.137,0.39,7.87,-1.7,1.0,6.99,63.4,2.0,1.0,2.0,95.17,2.01,1.0,355.949714262,0.0,24.1,6.0,-1.0,1.0
4911,Methsuximide,solid,N03AD,N03A,N03,N,203.2371,1.46,2.13,-2.0,1.0,19.03,56.35,2.0,0.0,1.0,37.38,-7.2,1.0,203.094628665,0.0,21.45,2.0,0.0,1.0
4925,Ibudilast,solid,R03DC,R03D,R03,R,230.3055,3.68,0.179,-3.1,1.0,16.55,79.38,2.0,0.0,3.0,34.37,1.85,1.0,230.141913208,0.0,26.31,2.0,0.0,1.0
4927,Rotigotine,solid,N04BC,N04B,N04,N,315.48,4.34,0.00904,-4.5,1.0,10.03,94.56,3.0,1.0,6.0,23.47,10.97,1.0,315.165685603,1.0,36.56,2.0,1.0,1.0
4928,Samarium (153Sm) lexidronam,solid,V10BX,V10B,V10,V,586.021,-4.2,20.0,-1.5,0.0,0.96,76.95,0.0,5.0,11.0,245.09,,0.0,585.895290894,0.0,31.44,14.0,-5.0,0.0
4938,Vandetanib,solid,L01EX,L01E,L01,L,475.354,4.54,0.0102,-4.7,1.0,14.35,118.63,4.0,1.0,6.0,59.51,9.13,1.0,474.106666884,1.0,47.1,6.0,1.0,1.0
4957,Pimavanserin,solid,N05AX,N05A,N05,N,427.564,4.01,0.00748,-4.8,1.0,15.06,122.93,3.0,1.0,8.0,44.81,8.44,1.0,427.26350551,1.0,47.76,3.0,1.0,1.0
4979,Dexlansoprazole,solid,A02BC,A02B,A02,A,369.36,3.03,0.25,-3.2,1.0,9.35,87.61,3.0,1.0,6.0,67.87,4.16,1.0,369.075882366,1.0,34.5,4.0,0.0,1.0
4993,Histamine,solid,L03AX,L03A,L03,L,111.1451,-0.7,169.0,0.18,1.0,14.46,31.66,1.0,2.0,2.0,54.7,9.58,0.0,111.079647303,0.0,12.08,2.0,1.0,1.0
5070,Palovarotene,solid,M09AX,M09A,M09,M,414.549,6.75,0.000344,-6.1,1.0,4.13,137.81,4.0,1.0,5.0,55.12,2.07,0.0,414.230728214,0.0,47.96,3.0,-1.0,0.0
5116,Telaprevir,solid,J05AP,J05A,J05,J,679.8493,2.58,0.0355,-4.3,0.0,11.86,180.04,5.0,4.0,14.0,179.56,-0.58,0.0,679.405732463,1.0,73.79,8.0,0.0,0.0
5125,Brivaracetam,solid,N03AX,N03A,N03,N,212.2887,0.66,46.8,-0.66,1.0,16.29,57.75,1.0,1.0,5.0,63.4,-1.1,1.0,212.152477894,0.0,23.77,2.0,0.0,1.0
5159,Sodium stibogluconate,solid,P01CB,P01C,P01,P,907.88,-3.4,68.4,-1.0,0.0,2.29,96.29,4.0,5.0,8.0,269.08,-3.0,0.0,905.918601405,1.0,39.78,17.0,-2.0,0.0
5180,Apremilast,solid,L04AA,L04A,L04,L,460.5,1.31,0.0341,-4.1,1.0,12.98,119.1,3.0,1.0,8.0,119.08,-4.2,1.0,460.130422295,1.0,46.71,7.0,0.0,1.0
5266,Abiraterone,solid,L02BX,L02B,L02,L,349.509,3.97,0.00305,-5.1,1.0,18.2,107.3,5.0,1.0,1.0,33.12,4.81,1.0,349.240564619,0.0,42.03,2.0,0.0,1.0
5379,Obeticholic acid,solid,A05AA,A05A,A05,A,420.6252,4.52,0.011,-4.6,1.0,4.6,118.35,4.0,3.0,5.0,77.76,-0.16,0.0,420.323959896,0.0,49.74,4.0,-1.0,1.0
5387,Cariprazine,solid,N05AX,N05A,N05,N,427.41,4.06,0.0279,-4.2,1.0,15.68,117.81,3.0,1.0,5.0,38.82,7.91,1.0,426.1953171,0.0,48.36,3.0,1.0,1.0
5406,Lumateperone,solid,N05AD,N05A,N05,N,393.506,3.59,0.0805,-3.7,1.0,16.61,116.42,5.0,0.0,5.0,26.79,8.47,1.0,393.221640697,0.0,44.27,4.0,1.0,1.0
5428,Cenobamate,solid,N03AX,N03A,N03,N,267.67,1.66,0.936,-2.5,1.0,14.28,76.43,2.0,1.0,5.0,95.92,-1.7,1.0,267.0523023,0.0,24.35,4.0,0.0,1.0
5435,Tirbanibulin,solid,D06BX,D06B,D06,D,431.536,3.21,0.0248,-4.2,1.0,15.36,124.86,4.0,1.0,9.0,63.69,6.63,1.0,431.220891806,1.0,48.49,5.0,0.0,1.0
5439,Sertindole,solid,N05AE,N05A,N05,N,440.941,4.15,0.00963,-4.7,1.0,14.33,131.77,5.0,1.0,5.0,40.51,8.56,0.0,440.177917386,0.0,47.18,2.0,1.0,1.0
5440,Spiramycin,solid,J01RA,J01R,J01,J,843.065,2.5,0.196,-3.6,0.0,12.53,219.25,4.0,4.0,11.0,195.38,9.33,0.0,842.514005071,1.0,93.01,15.0,2.0,0.0
5441,Sulfathiazole,solid,G01AE,G01A,G01,G,255.317,0.98,0.921,-2.4,1.0,6.93,62.27,2.0,2.0,2.0,85.08,2.04,1.0,255.013617927,0.0,23.93,4.0,-1.0,1.0
5442,Mianserin,solid,N06AX,N06A,N06,N,264.3648,3.83,0.232,-3.1,1.0,,84.5,4.0,0.0,0.0,6.48,6.92,1.0,264.16264865,0.0,30.79,2.0,0.0,1.0
5444,Sulfadimethoxine,solid,J01ED,J01E,J01,J,310.329,1.26,0.278,-3.0,1.0,6.91,77.75,2.0,2.0,4.0,116.43,1.99,1.0,310.073575646,0.0,29.6,7.0,-1.0,1.0
5445,Acetylcysteine,solid,R05CB,R05C,R05,R,163.195,-0.71,5.09,-1.5,1.0,3.82,37.67,0.0,3.0,3.0,66.4,-2.0,0.0,163.030313849,0.0,15.34,3.0,-1.0,1.0
5446,Nylidrin,solid,C04AA,C04A,C04,C,299.414,3.05,0.0204,-4.2,1.0,9.25,90.06,2.0,3.0,7.0,52.49,10.11,1.0,299.188529049,0.0,34.56,3.0,1.0,1.0
5447,Pizotifen,solid,N02CX,N02C,N02,N,295.44,4.49,0.00706,-4.6,1.0,,101.1,4.0,0.0,0.0,3.24,7.98,1.0,295.139470854,0.0,34.36,1.0,1.0,1.0
5448,Pentaerythritol tetranitrate,solid,C01DA,C01D,C01,C,316.1366,0.055,0.133,-3.4,0.0,,54.49,0.0,0.0,12.0,209.48,-5.5,1.0,316.01387174,0.0,22.79,12.0,0.0,0.0
5449,Rimonabant,solid,A08AX,A08A,A08,A,463.787,5.91,0.002,-5.4,1.0,10.8,122.83,4.0,1.0,4.0,50.16,1.68,0.0,462.078094435,0.0,47.96,3.0,0.0,0.0
5453,Garenoxacin,solid,J01MA,J01M,J01,J,426.42,1.62,0.0232,-4.3,1.0,6.05,110.37,5.0,2.0,5.0,78.87,8.88,1.0,426.139113458,0.0,42.39,6.0,0.0,1.0
5461,Noscapine,solid,R05DA,R05D,R05,R,413.4205,2.58,0.181,-3.4,1.0,13.07,107.08,5.0,0.0,4.0,75.69,7.14,1.0,413.147452095,0.0,42.17,7.0,1.0,1.0
5462,Romidepsin,solid,L01XH,L01X,L01,L,540.69,1.08,0.0209,-4.4,1.0,10.67,142.09,2.0,4.0,2.0,142.7,-0.54,0.0,540.207627243,0.0,54.55,5.0,0.0,0.0
5477,Pixantrone,solid,L01DB,L01D,L01,L,325.372,0.35,0.494,-2.8,1.0,,95.28,3.0,4.0,6.0,123.13,9.52,1.0,325.153874872,1.0,35.09,7.0,2.0,1.0
5480,Icatibant,solid,B06AC,B06A,B06,B,1304.54,-7.7,0.0362,-4.6,0.0,3.46,363.79,7.0,18.0,30.0,516.22,12.48,0.0,1303.660795176,1.0,135.1,23.0,3.0,0.0
5484,Tedisamil,solid,C01BD,C01B,C01,C,288.4708,2.78,0.0214,-4.1,1.0,,88.51,5.0,0.0,4.0,6.48,9.26,1.0,288.256549034,0.0,35.7,2.0,2.0,1.0
5485,Rufinamide,solid,N03AF,N03A,N03,N,238.1935,1.27,0.642,-2.6,1.0,12.64,67.07,2.0,1.0,3.0,73.8,-1.0,1.0,238.066617308,0.0,20.42,3.0,0.0,1.0
5486,Lasofoxifene,solid,G03XC,G03X,G03,G,413.5512,5.97,0.000398,-6.0,1.0,10.21,126.83,5.0,1.0,6.0,32.7,8.98,0.0,413.235479241,1.0,47.58,3.0,1.0,0.0
5487,Alogliptin,solid,A10BD,A10B,A10,A,339.3916,1.16,0.58,-2.8,1.0,,104.26,3.0,1.0,3.0,93.67,9.47,1.0,339.169524941,0.0,35.64,5.0,1.0,1.0
5488,Tapentadol,solid,N02AX,N02A,N02,N,221.3385,2.96,0.78,-2.4,1.0,10.28,69.56,1.0,1.0,5.0,23.47,9.6,1.0,221.177964363,0.0,26.58,2.0,1.0,1.0
5490,Sugammadex,solid,V03AB,V03A,V03,V,2002.12,-5.4,26.6,-1.9,0.0,2.82,432.64,9.0,24.0,40.0,769.76,,0.0,2000.408874758,1.0,189.62,48.0,-8.0,0.0
5491,Silodosin,solid,G04CA,G04C,G04,G,495.5345,3.05,0.0111,-4.6,1.0,14.87,128.92,3.0,3.0,14.0,97.05,9.66,0.0,495.234491142,1.0,49.89,6.0,1.0,1.0
5492,Prasugrel,solid,B01AC,B01A,B01,B,373.441,4.31,0.00237,-5.2,1.0,15.34,96.81,4.0,0.0,6.0,46.61,5.12,1.0,373.114792406,1.0,37.7,3.0,0.0,1.0
5493,Eltrombopag,solid,B02BX,B02B,B02,B,442.4666,6.03,0.0103,-4.6,1.0,3.97,126.48,4.0,3.0,5.0,114.59,-0.12,0.0,442.164105212,0.0,47.7,7.0,-2.0,0.0
5494,Doripenem,solid,J01DH,J01D,J01,J,420.504,-5.6,3.13,-2.1,1.0,3.34,99.88,3.0,5.0,6.0,162.06,9.51,0.0,420.1137259,1.0,42.37,8.0,0.0,1.0
5495,Tolvaptan,solid,C03XA,C03X,C03,C,448.941,5.35,0.00124,-5.6,1.0,14.19,129.16,4.0,2.0,3.0,69.64,-2.1,1.0,448.155370383,0.0,48.16,3.0,0.0,0.0
5496,Regadenoson,liquid,C01EB,C01E,C01,C,390.354,-2.3,4.85,-1.9,1.0,12.35,95.48,4.0,5.0,4.0,186.46,1.54,0.0,390.140015726,0.0,38.25,10.0,0.0,1.0
5498,Asenapine,solid,N05AH,N05A,N05,N,285.77,3.72,0.0312,-4.0,1.0,,81.65,4.0,0.0,0.0,12.47,7.29,1.0,285.0920418,0.0,30.83,1.0,1.0,1.0
5499,Vernakalant,solid,C01BG,C01B,C01,C,349.471,2.51,0.156,-3.4,1.0,14.85,98.27,3.0,1.0,7.0,51.16,9.65,1.0,349.225308482,1.0,39.63,5.0,1.0,1.0
5500,Lacosamide,solid,N03AX,N03A,N03,N,250.2936,-0.022,0.465,-2.7,1.0,12.46,67.57,1.0,2.0,6.0,67.43,-2.0,1.0,250.131742452,0.0,26.68,3.0,0.0,1.0
5505,Rivaroxaban,solid,B01AF,B01A,B01,B,435.881,1.9,0.01,-4.6,1.0,13.6,104.74,4.0,1.0,5.0,88.18,-1.6,1.0,435.065569098,0.0,43.39,5.0,0.0,1.0
5507,Nalmefene,solid,N07BB,N07B,N07,N,339.435,1.95,0.839,-2.6,1.0,10.35,95.21,6.0,2.0,2.0,52.93,9.57,1.0,339.183443669,0.0,37.04,4.0,1.0,1.0
5509,Ridaforolimus,solid,L01EG,L01E,L01,L,990.222,7.25,0.000805,-6.1,0.0,9.96,267.98,4.0,2.0,8.0,201.5,-3.0,0.0,989.562943387,1.0,107.25,12.0,0.0,0.0
5510,Maribavir,solid,J05AX,J05A,J05,J,376.23,1.84,0.72,-2.7,1.0,12.45,90.01,3.0,4.0,4.0,99.77,6.38,1.0,375.0752615,0.0,37.49,6.0,0.0,1.0
5517,Eflornithine,solid,P01CX,P01C,P01,P,182.171,-2.9,50.0,-0.56,1.0,2.19,37.73,0.0,3.0,5.0,89.34,10.2,0.0,182.08668396,0.0,15.8,4.0,1.0,1.0
5532,Hexaminolevulinate,solid,V04CX,V04C,V04,V,215.293,1.37,0.511,-2.6,1.0,16.11,58.29,0.0,1.0,10.0,69.39,7.83,1.0,215.15214354,0.0,24.96,3.0,1.0,1.0
5533,Droxidopa,solid,C01CA,C01C,C01,C,213.189,-2.7,15.3,-1.1,1.0,1.46,50.29,1.0,5.0,3.0,124.01,8.72,0.0,213.063722458,0.0,19.85,6.0,0.0,1.0
5534,Amrubicin,solid,L01DB,L01D,L01,L,483.473,1.74,1.14,-2.6,1.0,8.1,122.01,5.0,5.0,3.0,176.61,7.02,0.0,483.152931389,0.0,48.75,10.0,1.0,1.0
5535,Tolperisone,solid,M03BX,M03B,M03,M,245.366,3.57,0.167,-3.2,1.0,16.51,76.35,2.0,0.0,4.0,20.31,8.78,1.0,245.177964365,0.0,29.6,2.0,1.0,1.0
5536,Lonidamine,solid,L01XX,L01X,L01,L,321.158,4.4,0.00904,-4.6,1.0,3.12,92.4,3.0,1.0,3.0,55.12,-1.5,1.0,320.011932988,0.0,30.34,3.0,-1.0,1.0
5537,Udenafil,solid,G04BE,G04B,G04,G,516.656,2.74,0.0798,-3.8,1.0,10.25,153.11,4.0,2.0,10.0,117.92,8.44,0.0,516.25187436,1.0,56.34,8.0,1.0,0.0
5538,Sitaxentan,solid,C02KX,C02K,C02,C,454.905,3.09,0.0181,-4.4,1.0,6.89,105.8,4.0,1.0,5.0,107.73,0.75,1.0,454.006005309,0.0,43.12,6.0,-1.0,1.0
5543,Alvimopan,solid,A06AH,A06A,A06,A,424.5326,0.82,0.00834,-4.7,1.0,3.71,120.56,3.0,3.0,8.0,89.87,10.66,1.0,424.236207522,1.0,46.77,5.0,0.0,1.0
5547,Levocetirizine,solid,R06AE,R06A,R06,R,388.89,0.87,0.0658,-3.8,1.0,3.59,106.87,3.0,1.0,8.0,53.01,7.42,1.0,388.1553704,1.0,41.93,5.0,0.0,1.0
5548,Ziconotide,solid,N02BG,N02B,N02,N,2639.14,-23.0,2.36,-3.0,0.0,3.41,671.2,4.0,42.0,38.0,1133.84,12.18,0.0,2637.09833574,1.0,265.03,43.0,6.0,0.0
5550,Temsirolimus,solid,L01EG,L01E,L01,L,1030.2871,7.13,0.00235,-5.6,0.0,9.96,277.07,4.0,4.0,11.0,241.96,-2.9,0.0,1029.602485741,1.0,112.7,14.0,0.0,0.0
5551,Amisulpride,solid,N05AL,N05A,N05,N,369.479,0.25,0.293,-3.1,1.0,14.03,99.84,2.0,2.0,7.0,101.73,8.28,1.0,369.172227057,0.0,39.82,6.0,1.0,1.0
5552,Simeprevir,solid,G01AE,G01A,G01,G,749.939,4.56,0.00303,-5.4,1.0,3.77,206.95,7.0,2.0,7.0,156.89,1.61,0.0,749.291690263,1.0,80.38,9.0,-1.0,0.0
5553,Dapagliflozin,solid,A10BK,A10B,A10,A,408.873,2.11,0.173,-3.4,1.0,12.57,104.93,3.0,4.0,6.0,99.38,-3.0,1.0,408.133966239,1.0,42.88,6.0,0.0,1.0
5583,Saxagliptin,solid,A10BD,A10B,A10,A,315.41,-0.08,2.26,-2.1,1.0,14.74,83.99,5.0,2.0,2.0,90.35,7.9,1.0,315.194677059,0.0,34.22,4.0,1.0,1.0
5594,Iclaprim,solid,J01EA,J01E,J01,J,354.41,2.49,0.142,-3.4,1.0,17.32,101.99,4.0,2.0,5.0,105.51,7.15,1.0,354.169190584,0.0,37.53,7.0,1.0,1.0
5609,Xaliproden,solid,N07XX,N07X,N07,N,381.442,6.23,0.000229,-6.2,1.0,,109.26,4.0,0.0,5.0,3.24,8.96,0.0,381.170434201,0.0,41.17,1.0,1.0,0.0
5615,Bazedoxifene,solid,G03XC,G03X,G03,G,470.613,6.01,0.000564,-5.9,1.0,9.63,141.9,5.0,2.0,7.0,57.86,9.09,0.0,470.256942963,1.0,54.06,4.0,1.0,0.0
5616,Telavancin,solid,J01XA,J01X,J01,J,1755.65,-6.2,0.0148,-5.1,0.0,1.55,429.41,10.0,23.0,30.0,598.09,9.99,0.0,1753.6374296,1.0,175.85,29.0,0.0,0.0
5617,Ambrisentan,solid,C02KX,C02K,C02,C,378.428,3.5,0.05,-3.9,1.0,3.59,104.17,3.0,1.0,7.0,81.54,2.48,1.0,378.157957196,1.0,38.86,6.0,-1.0,1.0
5623,Doxercalciferol,solid,H05BX,H05B,H05,H,412.6478,5.75,0.00168,-5.4,1.0,14.39,130.36,3.0,2.0,5.0,40.46,-2.8,0.0,412.334130652,0.0,51.58,2.0,0.0,0.0
5624,Oxymetholone,solid,A14AA,A14A,A14,A,332.484,3.55,0.0349,-4.0,1.0,8.87,94.6,4.0,2.0,0.0,57.53,-0.53,1.0,332.23514489,0.0,38.84,3.0,0.0,1.0
5625,Armodafinil,solid,N06BA,N06B,N06,N,273.35,1.53,0.622,-2.6,1.0,8.84,77.39,2.0,1.0,5.0,60.16,-4.4,1.0,273.082349901,0.0,28.2,2.0,0.0,1.0
5626,Etravirine,solid,J05AG,J05A,J05,J,435.277,5.54,0.0169,-4.4,1.0,10.99,111.87,3.0,2.0,4.0,120.64,3.49,1.0,434.049071779,0.0,41.09,6.0,0.0,0.0
5642,Cangrelor,solid,B01AC,B01A,B01,B,776.35,-0.12,4.33,-2.2,0.0,0.8,153.78,3.0,7.0,16.0,255.91,2.61,0.0,774.9483145,1.0,63.92,14.0,-3.0,0.0
5648,Lonafarnib,solid,A16AX,A16A,A16,A,638.822,4.74,0.000829,-5.9,1.0,15.75,149.31,5.0,1.0,3.0,79.53,3.28,0.0,636.050229257,0.0,60.09,3.0,0.0,0.0
5665,Clomethiazole,solid,N05CX,N05C,N05,N,161.65,1.77,0.674,-2.4,1.0,,40.37,1.0,0.0,2.0,12.89,3.18,0.0,161.0065981,0.0,16.14,1.0,0.0,1.0
5672,Propentofylline,solid,N06BC,N06B,N06,N,306.3602,1.11,2.72,-2.0,1.0,19.64,82.79,2.0,0.0,7.0,75.51,-1.2,1.0,306.16919059,0.0,33.18,4.0,0.0,1.0
5673,Prucalopride,solid,A06AX,A06A,A06,A,367.87,0.74,0.129,-3.5,1.0,14.64,100.67,3.0,2.0,6.0,76.82,8.98,1.0,367.1662694,1.0,39.08,5.0,1.0,1.0
5707,Etilevodopa,solid,N04BA,N04B,N04,N,225.244,0.97,1.78,-2.1,1.0,9.29,58.6,1.0,3.0,5.0,92.78,6.97,1.0,225.100107967,0.0,23.27,4.0,1.0,1.0
5740,Pazopanib,solid,L01EX,L01E,L01,L,437.518,3.55,0.0433,-4.0,1.0,10.41,132.18,4.0,2.0,5.0,119.03,4.36,0.0,437.163393705,0.0,45.4,7.0,0.0,1.0
5741,Ceftaroline fosamil,solid,J01DI,J01D,J01,J,684.67,-3.7,0.0245,-4.5,0.0,1.8,171.63,5.0,4.0,11.0,223.24,0.39,0.0,684.010281362,1.0,63.9,13.0,-1.0,0.0
5743,Agomelatine,solid,N06AX,N06A,N06,N,243.301,2.04,0.00776,-4.5,1.0,15.96,71.64,2.0,1.0,4.0,38.33,-1.6,1.0,243.125928793,0.0,27.24,2.0,0.0,1.0
5744,Midostaurin,solid,L01EX,L01E,L01,L,570.649,5.43,0.0157,-4.6,0.0,13.45,162.61,9.0,1.0,3.0,77.73,-0.83,0.0,570.226705462,0.0,60.58,4.0,0.0,0.0
5748,Nemonoxacin,solid,J01MB,J01M,J01,J,371.437,-0.44,0.453,-2.9,1.0,5.73,103.06,4.0,2.0,4.0,96.1,9.66,0.0,371.184506297,0.0,40.05,7.0,0.0,1.0
5750,Panobinostat,solid,L01XH,L01X,L01,L,349.434,2.48,0.00198,-5.2,1.0,9.31,105.5,3.0,4.0,7.0,77.15,9.95,1.0,349.179026993,1.0,38.94,3.0,1.0,1.0
5752,Apixaban,solid,B01AF,B01A,B01,B,459.4971,1.83,0.0679,-3.8,1.0,13.07,126.9,5.0,1.0,5.0,110.76,-1.6,1.0,459.190654313,0.0,49.74,5.0,0.0,1.0
5755,Tafenoquine,solid,P01BA,P01B,P01,P,463.501,4.97,0.00137,-5.5,1.0,17.14,122.55,3.0,2.0,10.0,78.63,10.2,1.0,463.208276263,1.0,47.38,5.0,1.0,1.0
5760,Peramivir,solid,J05AH,J05A,J05,J,328.4072,-2.1,0.38,-2.9,1.0,4.09,94.46,1.0,6.0,7.0,148.53,12.46,0.0,328.211055404,0.0,34.85,7.0,0.0,0.0
5761,Bosutinib,solid,L01EA,L01E,L01,L,530.446,4.09,0.0095,-4.8,1.0,15.48,142.12,4.0,1.0,9.0,82.88,8.03,0.0,529.164745233,1.0,56.02,8.0,1.0,0.0
5766,Flupirtine,solid,N02BG,N02B,N02,N,304.3195,2.67,0.0732,-3.6,1.0,12.9,85.49,2.0,3.0,6.0,89.27,7.5,1.0,304.133554013,0.0,31.37,5.0,1.0,1.0
5769,Axitinib,solid,L01EK,L01E,L01,L,386.47,4.15,0.000551,-5.8,1.0,13.07,115.14,4.0,2.0,5.0,70.67,4.59,1.0,386.120131908,0.0,42.58,3.0,0.0,1.0
5773,Casopitant,solid,A04AD,A04A,A04,A,616.625,4.97,0.00445,-5.1,1.0,,149.02,4.0,0.0,6.0,47.1,7.31,0.0,616.264823524,1.0,57.87,3.0,1.0,0.0
5776,Dalfampridine,solid,N07XX,N07X,N07,N,94.1145,0.29,271.0,0.46,1.0,16.04,40.09,1.0,2.0,0.0,35.88,12.18,0.0,94.053098202,0.0,9.66,2.0,1.0,1.0
5788,Safinamide,solid,N04BD,N04B,N04,N,302.349,2.48,0.00989,-4.5,1.0,15.76,83.0,2.0,2.0,7.0,64.35,7.93,1.0,302.143056023,0.0,32.16,3.0,1.0,1.0
5795,Pasireotide,solid,H01CB,H01C,H01,H,1047.2062,2.67,0.00203,-5.7,0.0,9.08,286.66,8.0,9.0,18.0,281.2,10.41,0.0,1046.50142376,1.0,111.08,10.0,2.0,0.0
5806,Naproxcinod,solid,M01AE,M01A,M01,M,347.367,3.72,0.000281,-6.1,1.0,,91.11,2.0,0.0,10.0,87.9,-4.8,1.0,347.1368874,0.0,36.19,5.0,0.0,1.0
5807,Clevudine,solid,J05AF,J05A,J05,J,260.221,-1.1,87.7,-0.47,1.0,10.1,55.23,2.0,3.0,2.0,99.1,-3.0,0.0,260.08084969,0.0,23.2,5.0,0.0,1.0
5808,Vilazodone,solid,N06AX,N06A,N06,N,441.5249,3.72,0.123,-3.6,1.0,14.19,129.71,5.0,2.0,7.0,102.29,8.6,1.0,441.216475133,1.0,50.03,4.0,1.0,1.0
5809,Laquinimod,solid,N07XX,N07X,N07,N,356.81,2.55,0.0438,-3.9,1.0,5.02,97.31,3.0,1.0,3.0,60.85,-2.2,1.0,356.0927701,0.0,35.31,3.0,-1.0,1.0
5811,Ethanolamine oleate,solid,C05BB,C05B,C05,C,343.5444,6.78,0.000121,-6.4,0.0,4.99,87.4,0.0,1.0,16.0,37.3,,0.0,343.308644183,0.0,37.09,2.0,-1.0,0.0
5812,Nitrous oxide,solid,N01AX,N01A,N01,N,44.0128,-0.45,,,1.0,4.65,27.67,0.0,0.0,0.0,51.21,-7.3,0.0,44.001062632,0.0,2.55,2.0,0.0,1.0
5813,Mepyramine,solid,D04AA,D04A,D04,D,285.384,3.04,0.781,-2.6,1.0,,87.74,2.0,0.0,7.0,28.6,8.76,1.0,285.184112373,0.0,32.89,4.0,1.0,1.0
5816,Xylometazoline,solid,R01AB,R01A,R01,R,244.3752,3.78,0.00893,-4.4,1.0,,77.82,2.0,1.0,3.0,24.39,10.29,1.0,244.193948778,0.0,29.87,2.0,1.0,1.0
5817,Dabigatran etexilate,solid,B01AE,B01A,B01,B,627.7332,4.59,0.00466,-5.1,0.0,17.89,176.43,4.0,2.0,17.0,154.03,4.48,0.0,627.316917457,1.0,70.65,8.0,0.0,0.0
5818,Arbekacin,solid,J01GB,J01G,J01,J,552.619,-6.9,41.0,-1.1,0.0,12.49,129.08,3.0,11.0,10.0,297.27,9.99,0.0,552.311891658,1.0,56.58,15.0,5.0,0.0
5819,Artemether,solid,P01BF,P01B,P01,P,298.3746,3.48,0.457,-2.8,1.0,,74.66,4.0,0.0,1.0,46.15,-3.9,1.0,298.178023942,0.0,32.12,5.0,0.0,1.0
5820,Betahistine,solid,N07CA,N07C,N07,N,136.1943,0.63,49.3,-0.44,1.0,,41.33,1.0,1.0,3.0,24.92,9.77,0.0,136.100048394,0.0,15.85,2.0,1.0,1.0
5821,Degarelix,solid,L02BX,L02B,L02,L,1632.29,0.18,0.0041,-5.6,0.0,10.55,431.13,8.0,17.0,41.0,512.87,11.16,0.0,1630.748797,1.0,168.98,18.0,1.0,0.0
5822,Desvenlafaxine,solid,N06AX,N06A,N06,N,263.3752,2.29,1.4,-2.3,1.0,10.11,78.54,2.0,2.0,4.0,43.7,8.87,1.0,263.188529049,0.0,30.32,3.0,1.0,1.0
5824,Fesoterodine,solid,G04BD,G04B,G04,G,411.5769,5.7,0.00205,-5.3,0.0,14.98,124.08,2.0,1.0,11.0,49.77,10.64,0.0,411.277344055,0.0,48.29,3.0,1.0,0.0
5825,Gadobutrol,liquid,V08CA,V08C,V08,V,604.72,-4.6,0.0496,-4.2,1.0,0.99,143.47,4.0,3.0,10.0,181.08,-3.0,0.0,605.13321,1.0,45.39,9.0,0.0,0.0
5826,Iobenguane,liquid,V09IX,V09I,V09,V,275.0896,1.64,0.0878,-3.5,1.0,,58.32,1.0,2.0,2.0,64.4,11.27,1.0,274.991940755,0.0,21.93,3.0,1.0,1.0
5828,Isometheptene,solid,A03AX,A03A,A03,A,141.2539,2.32,3.06,-1.7,1.0,,47.59,0.0,1.0,4.0,12.03,10.67,0.0,141.151749613,0.0,18.81,1.0,1.0,1.0
5830,Lumefantrine,solid,P01BF,P01B,P01,P,528.94,9.19,3.09e-05,-7.2,0.0,14.1,160.81,4.0,1.0,10.0,23.47,9.78,0.0,527.154947772,1.0,60.69,2.0,1.0,0.0
5831,Methacholine,solid,V04CX,V04C,V04,V,160.234,-3.8,0.0678,-3.5,1.0,,55.76,0.0,0.0,4.0,26.3,-7.0,0.0,160.133753825,0.0,18.43,1.0,1.0,1.0
5832,Methyltestosterone,solid,G03BA,G03B,G03,G,302.451,3.65,0.0139,-4.3,1.0,18.52,89.07,4.0,1.0,0.0,37.3,-0.53,1.0,302.224580204,0.0,35.85,2.0,0.0,1.0
5833,Naphazoline,solid,R01AB,R01A,R01,R,210.2744,2.19,0.0381,-3.7,1.0,,65.52,3.0,1.0,2.0,24.39,10.19,1.0,210.115698458,0.0,23.77,2.0,1.0,1.0
5834,Nilvadipine,solid,C08CA,C08C,C08,C,385.3707,2.24,0.0124,-4.5,1.0,15.75,100.79,2.0,1.0,7.0,131.56,-6.7,1.0,385.127385355,0.0,37.57,6.0,0.0,1.0
5835,Norelgestromin,solid,G03AA,G03A,G03,G,327.468,3.67,0.00605,-4.7,1.0,11.47,95.85,4.0,2.0,1.0,52.82,3.12,1.0,327.219829178,0.0,38.4,3.0,0.0,1.0
5840,Stanozolol,solid,A14AA,A14A,A14,A,328.4916,3.81,0.00173,-5.3,1.0,16.23,96.8,5.0,2.0,0.0,48.91,3.36,1.0,328.251463656,0.0,39.33,2.0,0.0,1.0
5845,Calcium carbonate,solid,A02AC,A02A,A02,A,100.087,0.25,128.0,-0.08,1.0,3.5,31.17,0.0,0.0,0.0,63.19,,0.0,99.947335021,0.0,3.52,3.0,-1.0,1.0
5846,Lornoxicam,solid,M01AC,M01A,M01,M,371.81,0.64,0.0437,-3.9,1.0,1.82,87.9,3.0,2.0,2.0,99.6,4.22,1.0,370.9801259,0.0,33.3,5.0,-1.0,1.0
5848,Sparteine,solid,C01BA,C01B,C01,C,234.387,2.03,0.931,-2.4,1.0,,71.82,4.0,0.0,0.0,6.48,9.16,1.0,234.209598845,0.0,28.37,2.0,2.0,1.0
5850,Sulfaphenazole,solid,S01AB,S01A,S01,S,314.362,1.81,0.278,-3.0,1.0,6.82,85.21,3.0,2.0,3.0,90.01,2.44,1.0,314.083746402,0.0,31.82,4.0,-1.0,1.0
5851,Gestodene,solid,G03AA,G03A,G03,G,310.4299,3.46,0.00581,-4.7,1.0,17.08,92.99,4.0,1.0,1.0,37.3,-1.9,1.0,310.193280076,0.0,35.96,2.0,0.0,1.0
5857,Aceclofenac,solid,M01AB,M01A,M01,M,354.18,3.88,0.00199,-5.2,1.0,3.44,86.32,2.0,2.0,7.0,75.63,-2.1,1.0,353.0221633,0.0,32.76,4.0,-1.0,1.0
5859,Ketobemidone,solid,N02AB,N02A,N02,N,247.3327,2.49,3.01,-1.9,1.0,9.44,73.12,2.0,1.0,3.0,40.54,8.09,1.0,247.157228921,0.0,28.09,3.0,1.0,1.0
5860,Seratrodast,solid,R03DX,R03D,R03,R,354.446,5.37,0.00359,-5.0,1.0,4.3,102.37,2.0,1.0,8.0,71.44,-7.9,1.0,354.183109317,0.0,39.77,4.0,-1.0,0.0
5863,Ambroxol,solid,R03CC,R03C,R03,R,378.108,2.65,0.0185,-4.3,1.0,15.26,81.94,2.0,3.0,3.0,58.28,9.01,1.0,375.978589,0.0,32.8,3.0,1.0,1.0
5872,Drotaverine,solid,A03AD,A03A,A03,A,397.5072,4.19,0.002,-5.3,1.0,,117.99,3.0,1.0,9.0,48.95,7.11,1.0,397.225308485,1.0,46.99,5.0,1.0,1.0
5874,Triclofos,solid,N05CM,N05C,N05,N,229.37,0.93,7.86,-1.5,1.0,1.17,39.09,0.0,2.0,3.0,66.76,,0.0,227.8912787,0.0,15.74,3.0,-2.0,1.0
5876,Beta carotene,solid,A11CA,A11C,A11,A,536.888,11.12,0.000391,-6.1,0.0,,191.61,2.0,0.0,10.0,0.0,,0.0,536.438201803,0.0,71.84,0.0,0.0,0.0
5877,Betaine,solid,A16AA,A16A,A16,A,117.1463,-4.5,1.86,-2.0,1.0,3.26,52.82,0.0,0.0,2.0,40.13,,0.0,117.078978601,0.0,12.11,2.0,0.0,1.0
5882,Pinacidil,solid,C02DG,C02D,C02,C,245.33,1.94,0.136,-3.3,1.0,16.28,73.04,1.0,2.0,3.0,73.1,8.16,1.0,245.164045632,0.0,27.31,5.0,1.0,1.0
5884,Tetryzoline,solid,S01GA,S01G,S01,S,200.285,2.24,0.239,-2.9,1.0,,61.48,3.0,1.0,1.0,24.39,10.17,1.0,200.131348523,0.0,22.93,2.0,1.0,1.0
5885,Alcaftadine,solid,S01GX,S01G,S01,S,307.3895,2.17,0.333,-3.0,1.0,,102.88,4.0,0.0,1.0,38.13,7.76,1.0,307.168462309,0.0,34.68,3.0,1.0,1.0
5886,Ammonium chloride,solid,G04BA,G04B,G04,G,53.491,0.61,124.0,0.37,1.0,-7.0,5.62,0.0,0.0,0.0,0.0,,0.0,53.00322684,0.0,2.39,0.0,-1.0,1.0
5888,Bendamustine,solid,L01AA,L01A,L01,L,358.263,1.8,0.0618,-3.8,1.0,4.36,92.92,2.0,1.0,9.0,58.36,6.41,1.0,357.101082345,0.0,38.19,4.0,-1.0,1.0
5889,Benzyl alcohol,liquid,P03AX,P03A,P03,P,108.1378,1.21,26.8,-0.61,1.0,15.02,32.87,1.0,1.0,1.0,20.23,-2.8,0.0,108.057514878,0.0,11.89,1.0,0.0,1.0
5890,Besifloxacin,liquid,S01AE,S01A,S01,S,393.84,0.54,0.143,-3.4,1.0,5.45,101.75,4.0,2.0,3.0,86.87,9.84,1.0,393.125547465,0.0,39.02,6.0,0.0,1.0
5891,Cabazitaxel,solid,L01CD,L01C,L01,L,835.9324,4.2,0.00413,-5.3,0.0,11.96,213.4,6.0,3.0,15.0,202.45,-3.6,0.0,835.377905537,1.0,86.25,10.0,0.0,0.0
5894,Carglumic acid,solid,A16AA,A16A,A16,A,190.154,-1.4,19.1,-1.0,1.0,3.36,39.41,0.0,4.0,5.0,129.72,-2.3,0.0,190.05897144,0.0,16.79,5.0,-2.0,1.0
5896,Chenodeoxycholic acid,solid,A05AA,A05A,A05,A,392.572,3.71,0.0197,-4.3,1.0,4.6,109.27,4.0,3.0,4.0,77.76,-0.54,1.0,392.292659768,0.0,46.35,4.0,-1.0,1.0
5897,Cupric sulfate,solid,V03AB,V03A,V03,V,159.609,-0.84,45.7,-0.67,1.0,-3.0,11.53,0.0,0.0,0.0,80.26,,0.0,158.881330257,0.0,5.81,4.0,-2.0,1.0
5900,Difluprednate,solid,D07AC,D07A,D07,D,508.5515,3.0,0.0097,-4.7,1.0,13.6,125.38,4.0,1.0,8.0,106.97,-3.4,0.0,508.227259852,1.0,51.45,5.0,0.0,0.0
5901,Dimercaprol,solid,V03AB,V03A,V03,V,124.225,0.21,2.76,-1.6,1.0,9.58,32.91,0.0,3.0,2.0,20.23,-2.8,0.0,124.001656258,0.0,12.88,1.0,0.0,1.0
5904,Ganirelix,solid,H01CC,H01C,H01,H,1570.35,1.62,0.00531,-5.5,0.0,9.5,423.46,6.0,16.0,44.0,451.49,12.14,0.0,1568.8423035,1.0,170.37,20.0,2.0,0.0
5905,Halcinonide,liquid,D07AD,D07A,D07,D,454.96,3.3,0.0112,-4.6,1.0,13.63,113.55,5.0,1.0,2.0,72.83,-3.4,1.0,454.19223,0.0,46.61,5.0,0.0,1.0
5906,Hexocyclium,solid,A03AB,A03A,A03,A,317.496,-0.99,0.000576,-5.8,1.0,13.51,108.16,3.0,1.0,4.0,23.47,4.95,0.0,317.258740111,0.0,38.29,2.0,1.0,1.0
5907,Histrelin,solid,L02AE,L02A,L02,L,1443.632,-2.1,10.0,,0.0,9.49,360.07,8.0,16.0,34.0,446.86,11.59,0.0,1442.709519019,1.0,138.34,17.0,1.0,0.0
5909,Lanreotide,solid,H01CB,H01C,H01,H,1096.33,-0.33,0.00496,-5.3,0.0,9.43,292.92,6.0,13.0,17.0,355.08,10.26,0.0,1095.467029814,1.0,114.68,12.0,2.0,0.0
5910,Lanthanum carbonate,solid,V03AE,V03A,V03,V,457.835,0.25,31.0,-1.2,1.0,6.05,31.17,0.0,0.0,0.0,63.19,,0.0,457.76695,0.0,3.52,3.0,-1.0,1.0
5912,Lodoxamide,solid,S01GX,S01G,S01,S,311.63,0.83,0.0361,-3.9,1.0,-6.7,69.9,1.0,4.0,4.0,156.59,0.73,1.0,310.9945126,0.0,26.52,7.0,-2.0,1.0
5913,Mafenide,solid,G01AE,G01A,G01,G,186.232,-0.52,5.18,-1.6,1.0,10.25,46.69,1.0,2.0,2.0,86.18,9.04,0.0,186.046298264,0.0,18.24,3.0,1.0,1.0
5914,Mangafodipir,solid,V08CA,V08C,V08,V,691.382,-1.8,1.06,-2.8,0.0,1.38,164.24,2.0,6.0,17.0,286.5,-6.4,0.0,691.06142,0.0,56.97,16.0,-4.0,0.0
5915,Mebutamate,solid,N05BC,N05B,N05,N,232.2768,1.21,1.22,-2.3,1.0,15.24,57.59,0.0,2.0,8.0,104.64,,1.0,232.142307138,0.0,24.36,2.0,0.0,1.0
5916,Methenamine,solid,J01XX,J01X,J01,J,140.1863,0.39,766.0,0.74,1.0,,37.0,3.0,0.0,0.0,12.96,5.88,0.0,140.106196404,0.0,14.25,4.0,0.0,1.0
5917,Methylnaltrexone,solid,A06AH,A06A,A06,A,356.441,-2.5,0.00729,-4.7,1.0,9.9,107.42,6.0,2.0,2.0,66.76,-3.9,0.0,356.185634741,0.0,38.04,4.0,1.0,1.0
5919,Nepafenac,solid,S01BC,S01B,S01,S,254.2839,2.08,0.0197,-4.1,1.0,15.82,74.46,2.0,2.0,4.0,86.18,1.83,1.0,254.105527702,0.0,26.67,3.0,0.0,1.0
5920,Niclosamide,solid,P02DA,P02D,P02,P,327.12,3.91,0.00799,-4.6,1.0,6.89,79.5,2.0,2.0,3.0,92.47,-4.4,1.0,325.986112168,0.0,28.52,4.0,-1.0,1.0
5923,Plerixafor,liquid,L03AX,L03A,L03,L,502.782,-0.43,0.0472,-4.0,0.0,,155.01,3.0,6.0,4.0,78.66,10.23,0.0,502.447143768,0.0,60.65,8.0,4.0,0.0
5924,Plicamycin,solid,L01DC,L01D,L01,L,1085.1454,2.07,1.3,-2.9,0.0,7.84,257.01,8.0,11.0,15.0,358.2,-3.6,0.0,1084.47265336,1.0,110.17,24.0,0.0,0.0
5925,Polidocanol,liquid,C05BB,C05B,C05,C,582.8073,3.94,0.000403,-6.2,0.0,15.12,158.33,0.0,1.0,37.0,103.3,-2.7,0.0,582.434298204,0.0,74.51,10.0,0.0,0.0
5927,Pralatrexate,solid,L01BA,L01B,L01,L,477.4726,0.62,0.0178,-4.4,0.0,3.28,126.82,3.0,5.0,10.0,207.3,2.03,1.0,477.176066881,1.0,47.31,11.0,-2.0,0.0
5929,Pyrithione,solid,D11AX,D11A,D11,D,127.16,0.2,3.0,-1.6,1.0,6.84,34.48,1.0,1.0,0.0,26.94,0.66,0.0,127.009184959,0.0,12.19,1.0,-1.0,1.0
5930,Pyrvinium,solid,P02CX,P02C,P02,P,382.53,1.41,0.000288,-6.2,1.0,,136.12,4.0,0.0,4.0,12.05,1.48,0.0,382.227774334,0.0,47.31,1.0,1.0,1.0
5931,Raltegravir,solid,J05AR,J05A,J05,J,444.4163,-0.39,0.0976,-3.7,1.0,7.02,112.59,3.0,3.0,6.0,150.02,-1.1,1.0,444.155746017,1.0,42.45,7.0,-1.0,1.0
5932,Phenylbutyric acid,solid,A16AX,A16A,A16,A,164.2011,2.5,0.513,-2.5,1.0,4.81,46.57,1.0,1.0,4.0,37.3,,1.0,164.083729628,0.0,17.99,2.0,-1.0,1.0
5933,Sulconazole,solid,D01AC,D01A,D01,D,397.74,6.06,0.00129,-5.5,1.0,,104.37,3.0,0.0,6.0,17.82,6.78,0.0,396.0021528,1.0,39.57,1.0,1.0,0.0
5934,Sulfameter,solid,J01ED,J01E,J01,J,280.3,0.23,0.313,-3.0,1.0,7.06,70.66,2.0,2.0,3.0,107.2,1.98,1.0,280.063011436,0.0,26.24,6.0,0.0,1.0
5937,Triethylenetetramine,liquid,A16AX,A16A,A16,A,146.2339,-2.2,27.5,-0.73,1.0,,43.32,0.0,4.0,7.0,76.1,9.77,0.0,146.153146596,0.0,18.04,4.0,2.0,1.0
5938,Triptorelin,solid,L02AE,L02A,L02,L,1311.473,-3.6,0.0305,-4.6,0.0,9.49,352.43,8.0,18.0,33.0,487.92,11.54,0.0,1310.630874772,1.0,135.23,17.0,1.0,0.0
5939,Unoprostone,liquid,S01EE,S01E,S01,S,382.541,3.91,0.0306,-4.1,1.0,4.31,107.68,1.0,3.0,15.0,94.83,-2.9,1.0,382.271924324,0.0,45.47,5.0,-1.0,1.0
6226,Hymecromone,solid,A05AX,A05A,A05,A,176.1687,1.78,1.99,-2.0,1.0,7.8,47.81,2.0,1.0,0.0,46.53,-7.0,1.0,176.047344122,0.0,17.42,2.0,0.0,1.0
6337,Veliparib,solid,L01XK,L01X,L01,L,244.2923,0.21,0.275,-3.0,1.0,9.73,68.62,3.0,3.0,2.0,83.8,9.25,1.0,244.132411154,0.0,26.32,3.0,1.0,1.0
6503,Azapropazone,solid,M01AX,M01A,M01,M,298.3397,2.16,0.641,-2.7,1.0,5.5,85.69,3.0,0.0,2.0,56.22,4.32,1.0,298.14297584,0.0,31.94,4.0,0.0,1.0
6574,Felbinac,solid,M02AA,M02A,M02,M,212.2439,3.26,0.0372,-3.8,1.0,4.71,62.5,2.0,1.0,3.0,37.3,,1.0,212.083729628,0.0,23.13,2.0,-1.0,1.0
6729,Dibromotyrosine,solid,H03BX,H03B,H03,H,338.981,0.048,0.121,-3.4,1.0,0.36,62.34,1.0,3.0,3.0,83.55,9.44,1.0,336.894918453,0.0,24.94,4.0,-1.0,1.0
7234,Fasudil,solid,C04AX,C04A,C04,C,291.369,0.32,0.531,-2.7,1.0,,77.92,3.0,1.0,1.0,62.3,8.04,1.0,291.104147493,0.0,29.59,4.0,1.0,1.0
7393,Sulthiame,solid,N03AX,N03A,N03,N,290.359,-0.27,1.96,-2.2,1.0,10.55,67.46,2.0,1.0,2.0,97.54,,1.0,290.039498326,0.0,27.86,4.0,0.0,1.0
7497,Parecoxib,solid,M01AH,M01A,M01,M,370.422,3.51,0.0162,-4.4,1.0,4.24,98.9,3.0,1.0,4.0,89.27,0.42,1.0,370.098727764,0.0,38.0,4.0,-1.0,1.0
7540,Efaproxiral,solid,L01XD,L01X,L01,L,341.4009,4.39,0.0027,-5.1,1.0,3.56,97.48,2.0,2.0,6.0,75.63,-4.7,1.0,341.162708229,0.0,37.38,4.0,-1.0,1.0
7653,Triclosan,solid,D08AE,D08A,D08,D,289.542,4.98,0.00605,-4.7,1.0,7.68,68.69,2.0,1.0,2.0,29.46,-3.8,1.0,287.951162589,0.0,25.92,1.0,0.0,1.0
7669,Thiamphenicol,solid,J01BA,J01B,J01,J,356.222,-0.22,2.27,-2.2,1.0,8.75,79.88,1.0,3.0,6.0,103.7,-2.8,1.0,355.004798699,0.0,32.29,5.0,0.0,1.0
7685,Dapivirine,solid,G01AX,G01A,G01,G,329.3984,5.6,0.017,-4.3,1.0,11.43,100.8,3.0,2.0,4.0,73.63,4.45,1.0,329.164045633,0.0,37.13,5.0,0.0,0.0
7831,Diloxanide,solid,P01AB,P01A,P01,P,234.08,2.05,2.31,-2.0,1.0,9.39,55.99,1.0,1.0,2.0,40.54,-5.9,1.0,233.0010339,0.0,20.9,2.0,0.0,1.0
7832,Ethyl biscoumacetate,solid,B01AA,B01A,B01,B,408.362,1.67,0.0677,-3.8,1.0,4.82,104.95,4.0,2.0,5.0,119.36,-6.7,1.0,408.084517475,0.0,39.98,5.0,-2.0,1.0
7833,Azidocillin,solid,J01CE,J01C,J01,J,375.402,1.19,0.611,-2.8,1.0,3.32,92.16,3.0,2.0,5.0,116.14,-6.4,1.0,375.100124747,0.0,35.87,6.0,-1.0,1.0
7834,Pipazethate,solid,R05DB,R05D,R05,R,399.507,3.77,0.0415,-4.0,1.0,,111.43,4.0,0.0,7.0,54.9,8.96,1.0,399.161662371,1.0,42.86,5.0,1.0,1.0
7835,Salicylamide,solid,N02BA,N02B,N02,N,137.136,1.17,7.82,-1.2,1.0,8.21,37.12,1.0,2.0,1.0,63.32,-0.97,0.0,137.047678473,0.0,13.22,2.0,0.0,1.0
7836,Sulfamoxole,solid,J01EE,J01E,J01,J,267.304,0.59,0.267,-3.0,1.0,6.81,67.51,2.0,2.0,2.0,98.22,1.94,1.0,267.067761987,0.0,27.44,4.0,-1.0,1.0
7837,Antazoline,solid,R06AX,R06A,R06,R,265.3529,2.88,0.114,-3.4,1.0,,82.89,3.0,1.0,5.0,27.63,9.24,1.0,265.157897623,0.0,30.11,3.0,1.0,1.0
7838,Chloropyramine,solid,D04AA,D04A,D04,D,289.803,3.81,0.441,-2.8,1.0,,86.08,2.0,0.0,6.0,19.37,8.76,1.0,289.134575362,0.0,32.25,3.0,1.0,1.0
7839,Dimetindene,solid,R06AB,R06A,R06,R,292.418,3.74,0.0384,-3.9,1.0,18.19,93.57,3.0,0.0,5.0,16.13,9.7,1.0,292.193948778,0.0,34.99,2.0,1.0,1.0
7840,Isothipendyl,solid,R06AD,R06A,R06,R,285.407,3.66,0.14,-3.3,1.0,,86.66,3.0,0.0,3.0,19.37,8.91,1.0,285.129968313,0.0,31.9,3.0,1.0,1.0
7841,Tymazoline,solid,R01AA,R01A,R01,R,232.3214,2.64,0.118,-3.3,1.0,,69.54,2.0,1.0,4.0,33.62,9.26,1.0,232.157563272,0.0,27.29,3.0,1.0,1.0
7844,Roxatidine acetate,solid,A02BA,A02B,A02,A,348.4366,1.31,0.0612,-3.8,1.0,14.88,96.32,2.0,1.0,10.0,67.87,8.74,1.0,348.204907394,0.0,39.26,4.0,1.0,1.0
7845,Bopindolol,solid,C07AA,C07A,C07,C,380.48,4.67,0.0016,-5.4,1.0,16.8,111.07,3.0,2.0,9.0,63.35,9.29,1.0,380.209992772,1.0,43.08,3.0,1.0,1.0
7846,Bupranolol,solid,C07AA,C07A,C07,C,271.783,2.99,0.143,-3.3,1.0,14.09,74.86,1.0,2.0,6.0,41.49,9.76,1.0,271.13390666,0.0,30.35,3.0,1.0,1.0
7848,Cinitapride,solid,A03FA,A03F,A03,A,402.4873,2.79,0.0141,-4.4,1.0,13.62,114.58,3.0,2.0,7.0,110.73,9.74,1.0,402.226705468,1.0,44.37,6.0,1.0,1.0
7849,Tofisopam,solid,N05BA,N05B,N05,N,382.4528,3.83,0.00239,-5.2,1.0,,109.03,3.0,0.0,6.0,61.64,-2.2,1.0,382.18925733,1.0,42.14,6.0,0.0,1.0
7851,Triflusal,solid,B01AC,B01A,B01,B,248.157,2.12,0.696,-2.6,1.0,3.39,50.42,1.0,1.0,4.0,63.6,-7.1,1.0,248.029643194,0.0,19.32,3.0,-1.0,1.0
7852,Lurasidone,solid,N05AE,N05A,N05,N,492.676,4.56,0.00789,-4.8,1.0,,139.33,7.0,0.0,5.0,56.75,8.5,0.0,492.255897106,0.0,56.26,5.0,1.0,1.0
7853,Ticagrelor,solid,B01AC,B01A,B01,B,522.568,2.28,0.063,-3.9,1.0,12.94,142.13,5.0,4.0,10.0,138.44,1.11,0.0,522.186080514,1.0,51.31,9.0,0.0,0.0
7854,Hyaluronic acid,solid,S01KA,S01K,S01,S,776.6486,-8.2,46.6,-1.2,0.0,2.87,155.1,4.0,14.0,12.0,399.71,-3.9,0.0,776.233485724,1.0,71.14,23.0,-2.0,0.0
7855,Tafluprost,liquid,S01EE,S01E,S01,S,452.5313,4.29,0.00528,-4.9,1.0,14.51,120.59,2.0,2.0,13.0,75.99,-2.9,1.0,452.237430608,0.0,47.77,4.0,0.0,1.0
7856,Ivacaftor,solid,R07AX,R07A,R07,R,392.4907,5.76,0.002,-5.3,1.0,9.66,118.68,3.0,3.0,4.0,78.43,-0.95,0.0,392.209992772,0.0,44.39,4.0,0.0,0.0
7857,Azilsartan medoxomil,solid,C09CA,C09C,C09,C,568.5336,6.03,0.00703,-4.9,0.0,5.91,149.52,6.0,1.0,10.0,139.57,1.48,0.0,568.159413764,1.0,57.4,7.0,-1.0,0.0
7859,Ioflupane I-123,liquid,V09AB,V09A,V09,V,427.291,3.7,0.00566,-4.9,1.0,,97.34,3.0,0.0,6.0,29.54,9.46,1.0,427.076880092,1.0,38.75,2.0,1.0,1.0
7860,Deferiprone,solid,V03AC,V03A,V03,V,139.1519,0.61,273.0,0.29,1.0,11.82,40.7,1.0,1.0,0.0,40.54,-2.6,0.0,139.063328537,0.0,14.05,3.0,0.0,1.0
7861,Lomitapide,solid,C10AX,C10A,C10,C,693.7204,7.9,8.88e-05,-6.9,0.0,12.27,181.73,6.0,2.0,12.0,61.44,9.05,0.0,693.278996673,1.0,68.13,3.0,1.0,0.0
7862,Vismodegib,solid,L01XJ,L01X,L01,L,421.297,3.93,0.00173,-5.4,1.0,13.5,107.81,3.0,1.0,4.0,76.13,3.7,1.0,420.010218428,0.0,39.49,4.0,0.0,1.0
7867,Spaglumic acid,solid,R01AC,R01A,R01,R,304.255,-2.3,3.22,-2.0,1.0,3.01,64.06,0.0,5.0,9.0,170.1,-2.0,0.0,304.090665483,0.0,27.37,8.0,-3.0,1.0
7868,Temocapril,solid,C09AA,C09A,C09,C,476.609,2.04,0.00342,-5.1,1.0,3.88,124.1,3.0,2.0,11.0,95.94,5.14,1.0,476.143963396,1.0,49.28,5.0,-1.0,1.0
7872,N-methylnicotinamide,solid,A05AB,A05A,A05,A,136.1512,-0.17,18.6,-0.87,1.0,13.75,37.88,1.0,1.0,1.0,41.99,3.62,0.0,136.063662888,0.0,13.87,2.0,0.0,1.0
7874,Acetylcarnitine,solid,N06BX,N06B,N06,N,203.238,-4.4,0.355,-2.9,1.0,4.09,72.64,0.0,0.0,6.0,66.43,-7.0,0.0,203.115758031,0.0,20.89,3.0,0.0,1.0
7886,Pitavastatin,solid,C10AA,C10A,C10,C,421.4608,2.92,0.00394,-5.0,1.0,4.13,115.74,4.0,3.0,8.0,90.65,4.86,1.0,421.168936466,1.0,43.76,5.0,-1.0,1.0
7889,Rilpivirine,solid,J05AR,J05A,J05,J,366.4185,5.47,0.0116,-4.5,1.0,11.43,111.74,3.0,2.0,5.0,97.42,4.44,1.0,366.159294606,0.0,40.63,6.0,0.0,0.0
7890,Crizotinib,solid,L01ED,L01E,L01,L,450.337,3.57,0.00611,-4.9,1.0,,128.43,4.0,2.0,5.0,77.99,10.12,1.0,449.11854397,0.0,45.44,5.0,1.0,1.0
7891,Ulipristal,solid,G03AD,G03A,G03,G,433.592,4.18,0.00943,-4.7,1.0,12.7,129.29,5.0,1.0,3.0,57.61,4.89,1.0,433.261693991,0.0,49.66,4.0,0.0,1.0
7892,Fingolimod,solid,L04AA,L04A,L04,L,307.4708,4.06,0.0069,-4.6,1.0,14.41,93.28,1.0,3.0,12.0,66.48,9.38,1.0,307.251129305,0.0,38.81,3.0,1.0,1.0
7895,Eribulin,liquid,L01XX,L01X,L01,L,729.908,2.31,0.0798,-4.0,0.0,14.82,186.0,9.0,2.0,4.0,146.39,9.56,0.0,729.408811724,0.0,82.15,12.0,1.0,0.0
7897,Boceprevir,solid,J05AP,J05A,J05,J,519.6767,1.78,0.0234,-4.4,1.0,12.44,138.2,3.0,4.0,10.0,150.7,-0.91,0.0,519.342069575,1.0,56.79,5.0,0.0,0.0
7898,Fidaxomicin,solid,A07AA,A07A,A07,A,1058.05,8.56,0.0125,-4.9,0.0,5.87,269.66,4.0,7.0,15.0,266.66,-1.4,0.0,1056.4252209,1.0,109.15,15.0,-1.0,0.0
7899,Cabozantinib,solid,L01EX,L01E,L01,L,501.514,4.66,0.00199,-5.4,1.0,13.46,136.12,5.0,2.0,8.0,98.78,5.9,0.0,501.169999048,1.0,51.49,5.0,0.0,0.0
7901,Ruxolitinib,solid,L01EJ,L01E,L01,L,306.365,2.48,0.116,-3.4,1.0,13.89,98.01,4.0,1.0,4.0,83.18,3.91,1.0,306.159294606,0.0,33.07,4.0,0.0,1.0
7904,Teriflunomide,solid,L04AA,L04A,L04,L,270.2073,2.14,0.0124,-4.3,1.0,5.48,64.39,1.0,2.0,3.0,73.12,-3.2,1.0,270.061612157,0.0,23.15,3.0,-1.0,1.0
7905,Vemurafenib,solid,G01AE,G01A,G01,G,489.922,4.62,0.000362,-6.1,1.0,8.87,121.97,4.0,2.0,6.0,91.92,2.3,0.0,489.072546264,1.0,48.1,4.0,0.0,1.0
7906,Linagliptin,solid,A10BH,A10B,A10,A,472.5422,2.8,0.0502,-4.0,1.0,,133.43,5.0,1.0,5.0,113.48,9.86,0.0,472.23352218,0.0,51.24,7.0,1.0,1.0
7907,Perampanel,solid,N03AX,N03A,N03,N,349.393,4.11,0.0056,-4.8,1.0,,104.74,4.0,0.0,3.0,56.99,4.01,1.0,349.121512115,0.0,38.03,3.0,0.0,1.0
7908,Gadoxetic acid,solid,V08CA,V08C,V08,V,681.75,-4.3,0.497,-3.2,0.0,1.98,159.21,1.0,2.0,20.0,213.94,9.99,0.0,682.11214,0.0,50.67,14.0,-3.0,0.0
7913,Carfilzomib,solid,L01XG,L01X,L01,L,719.9099,4.2,0.00484,-5.2,0.0,11.91,198.02,4.0,4.0,20.0,158.47,4.96,0.0,719.425799203,1.0,79.45,8.0,0.0,0.0
7914,Linaclotide,solid,A06AX,A06A,A06,A,1526.736,-11.0,0.701,-3.3,0.0,3.06,368.0,6.0,19.0,13.0,573.91,7.65,0.0,1525.389918805,1.0,145.19,22.0,-1.0,0.0
7917,Mirabegron,solid,G04BD,G04B,G04,G,396.506,2.89,0.00412,-5.0,1.0,13.84,113.23,3.0,4.0,9.0,100.27,9.62,1.0,396.161996722,1.0,44.2,5.0,1.0,1.0
7919,Tofacitinib,solid,L04AA,L04A,L04,L,312.3696,1.24,0.299,-3.0,1.0,9.15,87.8,3.0,1.0,3.0,88.91,6.44,1.0,312.169859292,0.0,32.38,5.0,1.0,1.0
7920,Regorafenib,solid,L01EX,L01E,L01,L,482.815,4.49,0.00102,-5.7,1.0,10.52,114.73,3.0,3.0,6.0,92.35,3.02,0.0,482.076880893,1.0,41.55,3.0,0.0,1.0
7921,Aclidinium,solid,R03BB,R03B,R03,R,484.651,0.45,0.00152,-5.5,1.0,10.35,141.33,5.0,1.0,10.0,55.76,-4.8,0.0,484.161624833,1.0,52.09,3.0,1.0,1.0
7923,Enzalutamide,solid,L02BB,L02B,L02,L,464.436,4.16,0.00136,-5.5,1.0,13.05,113.48,3.0,1.0,4.0,76.44,-1.6,1.0,464.093009286,0.0,42.69,3.0,0.0,1.0
7925,Ponatinib,solid,L01EA,L01E,L01,L,532.5595,4.97,0.00295,-5.3,1.0,15.37,152.63,5.0,1.0,7.0,65.77,7.62,0.0,532.219844131,1.0,55.39,5.0,1.0,0.0
7927,Bedaquiline,solid,J04AK,J04A,J04,J,555.505,7.13,0.000193,-6.5,0.0,13.61,154.02,5.0,1.0,8.0,45.59,8.91,0.0,554.156890893,1.0,57.29,4.0,1.0,0.0
7929,Formestane,solid,L02BG,L02B,L02,L,302.4079,3.41,0.0578,-3.7,1.0,9.21,85.57,4.0,1.0,0.0,54.37,-3.7,1.0,302.188194698,0.0,34.05,3.0,0.0,1.0
7930,Fluticasone furoate,solid,R03AL,R03A,R03,R,538.576,4.13,0.0434,-4.1,1.0,13.61,130.08,5.0,1.0,6.0,93.81,-3.1,0.0,538.163693965,1.0,51.56,4.0,0.0,0.0
7931,Canagliflozin,solid,A10BD,A10B,A10,A,444.516,3.52,0.0045,-5.0,1.0,12.57,116.14,4.0,4.0,5.0,90.15,-3.0,1.0,444.140672805,0.0,46.64,5.0,0.0,1.0
7932,Dimethyl fumarate,solid,L04AX,L04A,L04,L,144.1253,0.72,12.9,-1.0,1.0,,34.15,0.0,0.0,4.0,52.6,-6.5,0.0,144.042258744,0.0,13.76,2.0,0.0,1.0
7933,Glycerol phenylbutyrate,solid,A16AX,A16A,A16,A,530.6512,7.65,5.09e-05,-7.0,0.0,,149.74,3.0,0.0,20.0,78.9,-6.6,0.0,530.266838948,1.0,60.16,3.0,0.0,0.0
7934,Pomalidomide,solid,L04AX,L04A,L04,L,273.2441,-0.16,2.57,-2.0,1.0,11.59,69.03,3.0,2.0,1.0,109.57,1.56,1.0,273.074955855,0.0,25.81,5.0,0.0,1.0
7935,Trametinib,solid,L01EE,L01E,L01,L,615.3948,3.18,0.0307,-4.3,1.0,12.6,156.38,5.0,2.0,5.0,102.06,-3.2,0.0,615.077875874,0.0,55.07,5.0,0.0,0.0
7936,Dabrafenib,solid,L01EC,L01E,L01,L,519.562,5.46,0.00327,-5.2,0.0,7.16,127.51,4.0,2.0,5.0,110.86,2.97,0.0,519.101050904,0.0,49.71,6.0,-1.0,0.0
7939,Afatinib,solid,L01EB,L01E,L01,L,485.938,3.76,0.0128,-4.6,1.0,12.49,131.38,4.0,2.0,8.0,88.61,8.81,0.0,485.162995603,1.0,50.06,7.0,1.0,1.0
7941,Levomilnacipran,solid,N06AX,N06A,N06,N,246.348,1.42,1.23,-2.3,1.0,,73.81,2.0,1.0,5.0,46.33,9.83,1.0,246.173213336,0.0,28.34,2.0,1.0,1.0
7945,Adrafinil,solid,N06BX,N06B,N06,N,289.35,1.53,0.758,-2.6,1.0,8.1,79.15,2.0,2.0,5.0,66.4,-5.5,1.0,289.077264521,0.0,29.63,3.0,0.0,1.0
7948,Arsthinol,solid,P01AR,P01A,P01,P,347.285,1.11,0.325,-3.0,1.0,8.52,73.33,2.0,3.0,3.0,69.56,-2.8,1.0,346.963106116,0.0,30.81,3.0,0.0,1.0
7949,Dolutegravir,solid,J05AR,J05A,J05,J,419.3788,1.1,0.0922,-3.7,1.0,10.1,102.77,4.0,2.0,3.0,99.18,-0.51,1.0,419.129277143,0.0,40.0,6.0,0.0,1.0
7950,Riociguat,solid,C02KX,C02K,C02,C,422.4157,2.69,0.0682,-3.8,1.0,18.9,135.25,4.0,2.0,5.0,138.07,3.5,0.0,422.161500097,0.0,41.89,8.0,0.0,1.0
7951,Macitentan,solid,C02KX,C02K,C02,C,588.273,3.69,0.00668,-4.9,1.0,7.76,126.98,3.0,2.0,9.0,128.22,3.26,0.0,585.963349142,1.0,50.55,9.0,0.0,0.0
7952,Luliconazole,solid,D01AC,D01A,D01,D,354.27,4.07,0.0659,-3.7,1.0,,101.0,3.0,0.0,2.0,41.61,6.34,1.0,352.961495,0.0,33.65,2.0,0.0,1.0
7953,Sofosbuvir,solid,J05AP,J05A,J05,J,529.458,1.28,0.824,-2.8,0.0,9.7,121.59,3.0,3.0,11.0,152.73,-3.9,0.0,529.162544687,1.0,49.89,6.0,0.0,0.0
7955,Chlorcyclizine,solid,R06AE,R06A,R06,R,300.826,4.15,0.0424,-3.8,1.0,,89.74,3.0,0.0,3.0,6.48,7.63,1.0,300.139326389,0.0,33.89,2.0,1.0,1.0
7958,Letosteine,solid,R05CB,R05C,R05,R,279.376,-1.5,3.55,-1.9,1.0,2.74,67.83,1.0,2.0,8.0,75.63,7.41,0.0,279.059899417,0.0,29.23,4.0,0.0,1.0
7959,Kebuzone,solid,M01AA,M01A,M01,M,322.3578,2.7,0.113,-3.4,1.0,4.57,89.37,3.0,0.0,5.0,57.69,-7.3,1.0,322.131742452,0.0,33.64,3.0,-1.0,1.0
7960,Isoxsuprine,solid,C04AA,C04A,C04,C,301.386,2.56,0.0507,-3.8,1.0,9.65,86.64,2.0,3.0,7.0,61.72,9.0,1.0,301.167793605,0.0,34.12,4.0,1.0,1.0
7962,Isoconazole,solid,G01AF,G01A,G01,G,416.129,5.96,0.000825,-5.7,1.0,,103.07,3.0,0.0,6.0,27.05,6.48,0.0,413.986023908,1.0,39.31,2.0,0.0,0.0
7963,Isoaminile,solid,R05DB,R05D,R05,R,244.382,3.63,0.0672,-3.6,1.0,,77.25,1.0,0.0,5.0,27.03,8.73,1.0,244.193948781,0.0,29.31,2.0,1.0,1.0
7964,Iotroxic acid,solid,V08AC,V08A,V08,V,1215.8131,6.74,0.0047,-5.4,0.0,2.02,198.51,2.0,4.0,14.0,160.49,-3.9,0.0,1215.528040704,0.0,77.53,9.0,-2.0,0.0
7965,Iopanoic acid,solid,V08AC,V08A,V08,V,570.9319,4.58,0.0138,-4.6,1.0,2.85,95.93,1.0,2.0,4.0,63.32,1.76,0.0,570.800208893,0.0,36.91,3.0,-1.0,0.0
7966,Iopamidol,solid,V08AB,V08A,V08,V,777.0853,-0.74,0.79,-3.0,0.0,11.0,139.66,1.0,8.0,10.0,188.45,-2.8,0.0,776.854094955,0.0,54.78,8.0,0.0,0.0
7967,Iodamide,solid,V08AA,V08A,V08,V,627.9402,2.6,0.0577,-4.0,1.0,2.28,106.18,1.0,3.0,4.0,95.5,-1.8,0.0,627.78528711,0.0,40.78,4.0,-1.0,0.0
7968,Inositol nicotinate,solid,C04AC,C04A,C04,C,810.732,3.88,0.0174,-4.7,0.0,,201.77,7.0,0.0,18.0,235.14,4.02,0.0,810.19217043,1.0,76.08,12.0,0.0,0.0
7969,Indoramin,solid,C02CA,C02C,C02,C,347.4534,3.19,0.00863,-4.6,1.0,15.09,105.94,4.0,2.0,5.0,48.13,9.0,1.0,347.199762437,0.0,40.72,2.0,1.0,1.0
7970,Indoprofen,solid,M01AE,M01A,M01,M,281.3059,2.86,0.128,-3.3,1.0,3.74,79.14,3.0,1.0,3.0,57.61,-3.5,1.0,281.105193351,0.0,30.24,3.0,-1.0,1.0
7973,Ifenprodil,solid,C04AX,C04A,C04,C,325.4446,3.57,0.105,-3.5,1.0,9.67,98.35,3.0,2.0,5.0,43.7,9.03,1.0,325.204179113,0.0,37.52,3.0,1.0,1.0
7974,Ibuproxam,solid,M01AE,M01A,M01,M,221.2955,3.03,0.073,-3.5,1.0,8.83,64.32,1.0,2.0,4.0,49.33,-5.5,1.0,221.141578857,0.0,25.08,2.0,0.0,1.0
7976,Hexoprenaline,solid,R03AC,R03A,R03,R,420.4993,0.22,0.199,-3.3,0.0,8.69,115.2,2.0,8.0,13.0,145.44,10.18,1.0,420.226036766,0.0,45.96,8.0,2.0,0.0
7977,Hexetidine,solid,G01AX,G01A,G01,G,339.6021,5.74,0.00594,-4.8,0.0,,107.4,1.0,1.0,12.0,32.5,9.08,0.0,339.361348455,0.0,44.07,3.0,1.0,0.0
7980,Glibornuride,solid,A10BB,A10B,A10,A,366.48,2.48,0.0635,-3.8,1.0,4.32,94.73,3.0,3.0,2.0,95.5,-3.2,1.0,366.161328499,0.0,38.55,4.0,-1.0,1.0
7981,Glafenine,solid,N02BG,N02B,N02,N,372.802,4.16,0.0338,-4.0,1.0,13.62,97.55,3.0,3.0,7.0,91.68,6.41,1.0,372.087684749,1.0,38.11,5.0,0.0,1.0
7982,Gemeprost,liquid,G02AD,G02A,G02,G,394.552,4.71,0.0176,-4.4,1.0,14.68,113.05,1.0,2.0,13.0,83.83,-1.1,1.0,394.271924324,0.0,46.3,4.0,0.0,1.0
7983,Fusafungine,solid,R02AB,R02A,R02,R,639.8204,4.96,0.0184,-4.5,1.0,18.8,166.6,1.0,0.0,6.0,139.83,-5.4,0.0,639.409480437,0.0,69.27,6.0,0.0,0.0
7985,Dimetotiazine,solid,N02CX,N02C,N02,N,391.55,3.34,0.0647,-3.8,1.0,,110.46,3.0,0.0,4.0,43.86,8.99,1.0,391.138819405,0.0,41.79,4.0,1.0,1.0
7988,Fluprednidene,solid,D07XB,D07X,D07,D,390.4452,1.41,0.117,-3.5,1.0,12.11,102.19,4.0,3.0,2.0,94.83,-3.3,1.0,390.184252179,0.0,40.32,5.0,0.0,1.0
7989,Fluocortolone,solid,D07AC,D07A,D07,D,376.4617,1.97,0.0339,-4.0,1.0,13.84,101.47,4.0,2.0,2.0,74.6,-0.23,1.0,376.204987621,0.0,40.14,4.0,0.0,1.0
7990,Flumequine,solid,J01MB,J01M,J01,J,261.2484,2.42,1.24,-2.3,1.0,5.81,67.87,3.0,1.0,1.0,57.61,-4.3,1.0,261.08012146,0.0,25.25,4.0,-1.0,1.0
7992,Flubendazole,solid,P02CA,P02C,P02,P,313.2832,3.4,0.0288,-4.0,1.0,9.17,81.72,3.0,2.0,4.0,84.08,3.42,1.0,313.08626947,0.0,31.16,4.0,0.0,1.0
7994,Floctafenine,solid,N02BG,N02B,N02,N,406.3552,4.43,0.0346,-4.1,1.0,13.62,98.72,3.0,3.0,8.0,91.68,5.84,1.0,406.114041657,1.0,37.76,5.0,0.0,1.0
7995,Fentonium,solid,A03BB,A03B,A03,A,484.615,0.29,5.82e-05,-7.0,1.0,15.15,151.77,5.0,1.0,9.0,63.6,-2.7,0.0,484.248234999,1.0,54.51,3.0,1.0,1.0
7996,Fenspiride,solid,R03BX,R03B,R03,R,260.3315,1.6,2.75,-2.0,1.0,13.29,73.73,3.0,1.0,3.0,41.57,8.97,1.0,260.152477894,0.0,29.14,2.0,1.0,1.0
7997,Fendiline,solid,C08EA,C08E,C08,C,315.4513,5.83,6.22e-05,-6.7,1.0,,102.34,3.0,1.0,7.0,12.03,9.78,0.0,315.198699805,1.0,37.62,1.0,1.0,0.0
7998,Fenbufen,solid,M01AE,M01A,M01,M,254.2806,3.0,0.0121,-4.3,1.0,4.22,72.49,2.0,1.0,5.0,54.37,-7.5,1.0,254.094294314,0.0,27.47,3.0,-1.0,1.0
8000,Etofibrate,solid,C10AB,C10A,C10,C,363.792,3.63,0.0357,-4.0,1.0,,91.34,2.0,0.0,9.0,74.72,3.24,1.0,363.087350398,0.0,36.88,4.0,0.0,1.0
8001,Etofenamate,solid,M02AA,M02A,M02,M,369.335,4.86,0.00936,-4.6,1.0,15.12,89.88,2.0,2.0,10.0,67.79,-2.2,1.0,369.118792684,0.0,35.57,4.0,0.0,1.0
8002,Etilefrine,solid,C01CA,C01C,C01,C,181.2316,0.23,13.8,-1.1,1.0,9.1,52.0,1.0,3.0,4.0,52.49,9.73,1.0,181.110278729,0.0,20.33,3.0,1.0,1.0
8003,Etifoxine,solid,N05BX,N05B,N05,N,300.79,4.59,0.00216,-5.1,1.0,,87.23,3.0,1.0,2.0,33.62,5.18,1.0,300.1029409,0.0,32.25,3.0,0.0,1.0
8004,Etidocaine,solid,N01BB,N01B,N01,N,276.417,4.46,0.19,-3.2,1.0,13.62,87.47,1.0,1.0,7.0,32.34,8.59,1.0,276.220163528,0.0,33.47,2.0,1.0,1.0
8006,Etamivan,solid,R07AB,R07A,R07,R,223.2683,1.52,12.4,-1.3,1.0,8.95,62.87,1.0,1.0,4.0,49.77,-1.0,1.0,223.120843415,0.0,24.06,3.0,0.0,1.0
8007,Eprazinone,solid,R05CB,R05C,R05,R,380.532,4.14,0.0484,-3.9,1.0,16.21,115.29,3.0,0.0,9.0,32.78,7.32,1.0,380.246378278,1.0,44.38,4.0,1.0,1.0
8009,Eperisone,solid,M03BX,M03B,M03,M,259.3865,4.01,0.0617,-3.6,1.0,16.5,80.95,2.0,0.0,5.0,20.31,8.77,1.0,259.193614427,0.0,31.74,2.0,1.0,1.0
8010,Enviomycin,solid,J04AB,J04A,J04,J,685.69,-12.0,2.56,-2.4,0.0,8.71,161.87,2.0,15.0,10.0,392.86,10.52,0.0,685.325584661,0.0,65.92,15.0,3.0,0.0
8011,Ditazole,solid,B01AC,B01A,B01,B,324.3737,2.93,0.146,-3.4,1.0,15.27,93.03,3.0,2.0,7.0,69.73,-0.12,1.0,324.147392516,1.0,35.89,4.0,0.0,1.0
8012,Diosmin,solid,C05CA,C05C,C05,C,608.5447,-0.44,1.54,-2.6,0.0,7.31,142.39,5.0,8.0,7.0,234.29,-3.6,0.0,608.174120354,1.0,58.93,15.0,-1.0,0.0
8013,Dimetacrine,solid,N06AA,N06A,N06,N,294.4338,4.42,0.0343,-3.9,1.0,,105.52,3.0,0.0,4.0,6.48,9.2,1.0,294.209598842,0.0,35.87,2.0,1.0,1.0
8014,Dexetimide,solid,N04AA,N04A,N04,N,362.4647,3.38,0.00469,-4.9,1.0,11.69,106.34,4.0,1.0,4.0,49.41,8.66,1.0,362.199428086,0.0,40.52,3.0,1.0,1.0
8016,Cyclopentamine,solid,R01AA,R01A,R01,R,141.258,2.26,0.476,-2.5,1.0,,44.93,1.0,1.0,3.0,12.03,10.61,0.0,141.151749616,0.0,18.4,1.0,1.0,1.0
8017,Cyamemazine,solid,N05AA,N05A,N05,N,323.455,4.27,0.029,-4.0,1.0,,99.09,3.0,0.0,4.0,30.27,9.42,1.0,323.145618377,0.0,36.48,3.0,1.0,1.0
8018,Barbexaclone,solid,N03AA,N03A,N03,N,387.524,1.41,0.276,-2.9,1.0,7.14,59.75,3.0,2.0,5.0,75.27,,1.0,387.252191935,0.0,22.61,3.0,-1.0,1.0
8019,Cloperastine,solid,R05DB,R05D,R05,R,329.864,5.11,0.000765,-5.6,1.0,,96.87,3.0,0.0,6.0,12.47,8.82,1.0,329.154642102,1.0,37.23,2.0,1.0,0.0
8021,Clobutinol,solid,R05DB,R05D,R05,R,255.784,3.0,0.535,-2.7,1.0,14.64,74.04,1.0,1.0,5.0,23.47,9.41,1.0,255.138992038,0.0,28.85,2.0,1.0,1.0
8024,Chlorphenoxamine,solid,D04AA,D04A,D04,D,303.826,4.4,0.00582,-4.7,1.0,,89.57,2.0,0.0,6.0,12.47,8.87,1.0,303.138992038,0.0,34.03,2.0,1.0,1.0
8025,Cefaloridine,solid,J01DB,J01D,J01,J,415.486,-2.3,0.00383,-5.1,1.0,3.06,117.8,4.0,1.0,6.0,96.91,-0.017,0.0,415.066047427,1.0,41.49,5.0,0.0,1.0
8026,Articaine,solid,N01BB,N01B,N01,N,284.374,3.25,0.0285,-4.0,1.0,11.61,76.78,1.0,2.0,7.0,67.43,8.68,1.0,284.119463206,0.0,30.54,3.0,1.0,1.0
8027,Carmofur,solid,L01BC,L01B,L01,L,257.2614,1.44,0.0491,-3.7,1.0,7.88,62.39,1.0,2.0,5.0,78.51,-8.3,1.0,257.117569598,0.0,25.66,3.0,0.0,1.0
8028,Beclamide,solid,N03AX,N03A,N03,N,197.661,1.69,0.436,-2.7,1.0,15.03,53.43,1.0,1.0,4.0,29.1,-2.2,1.0,197.060741718,0.0,20.61,1.0,0.0,1.0
8029,Carbazochrome,solid,B02BX,B02B,B02,B,236.231,-1.2,2.91,-1.9,1.0,11.64,62.16,2.0,3.0,1.0,108.02,1.98,0.0,236.090940262,0.0,23.09,5.0,0.0,1.0
8030,Befunolol,solid,S01ED,S01E,S01,S,291.347,1.23,0.108,-3.4,1.0,13.92,79.5,2.0,2.0,7.0,71.7,9.57,1.0,291.14705816,0.0,32.01,4.0,1.0,1.0
8031,Captodiame,solid,N05BB,N05B,N05,N,359.592,6.13,5.96e-05,-6.8,1.0,,112.79,2.0,0.0,10.0,3.24,8.94,0.0,359.174141313,0.0,44.41,1.0,1.0,0.0
8032,Canrenoic acid,solid,C03DA,C03D,C03,C,358.478,2.93,0.0442,-3.9,1.0,4.48,100.98,4.0,2.0,3.0,74.6,-3.1,1.0,358.214409446,0.0,40.44,4.0,-1.0,1.0
8034,Brotizolam,solid,N05CD,N05C,N05,N,393.689,3.9,0.058,-3.8,1.0,18.38,101.93,4.0,0.0,1.0,43.07,3.82,1.0,391.949807384,0.0,34.99,3.0,0.0,1.0
8035,Bromopride,solid,A03FA,A03F,A03,A,344.247,1.56,0.241,-3.2,1.0,14.58,86.34,1.0,2.0,7.0,67.59,9.04,1.0,343.08953961,0.0,33.92,4.0,1.0,1.0
8036,Bromhexine,solid,R05CB,R05C,R05,R,376.13,4.42,0.00362,-5.0,1.0,19.89,85.56,2.0,1.0,3.0,29.26,9.23,1.0,373.999323944,0.0,32.98,2.0,1.0,1.0
8037,Bisacodyl,solid,A06AB,A06A,A06,A,361.3906,3.61,0.00127,-5.5,1.0,,100.15,3.0,0.0,7.0,65.49,4.08,1.0,361.131408101,1.0,38.48,3.0,0.0,1.0
8038,Benzoctamine,solid,N05BD,N05B,N05,N,249.357,3.64,0.000844,-5.5,1.0,,89.95,4.0,1.0,2.0,12.03,10.04,1.0,249.151749616,0.0,29.31,1.0,1.0,1.0
8039,Benfluorex,solid,A10BX,A10B,A10,A,351.3628,4.92,0.00128,-5.4,1.0,,90.57,2.0,1.0,9.0,38.33,9.14,1.0,351.144613504,0.0,34.83,2.0,1.0,1.0
8041,Aliskiren,solid,C09XA,C09X,C09,C,551.7583,3.12,0.0021,-5.4,0.0,14.56,154.32,1.0,4.0,19.0,146.13,9.57,0.0,551.393436443,0.0,63.28,7.0,1.0,0.0
8042,Ledipasvir,solid,J05AP,J05A,J05,J,888.9999,7.18,0.00388,-5.4,0.0,11.33,235.47,10.0,4.0,12.0,174.64,5.29,0.0,888.41343791,1.0,97.49,6.0,0.0,0.0
8045,Vorapaxar,solid,B01AC,B01A,B01,B,492.5817,5.04,0.000654,-5.9,1.0,14.78,134.52,5.0,1.0,6.0,77.52,4.32,0.0,492.242435759,1.0,53.85,3.0,0.0,0.0
8046,Miltefosine,solid,P01CX,P01C,P01,P,407.576,2.25,0.00022,-6.3,1.0,1.88,125.51,0.0,0.0,20.0,58.59,,0.0,407.316445963,0.0,50.59,2.0,0.0,1.0
8048,Suvorexant,solid,N05CM,N05C,N05,N,450.93,4.04,0.117,-3.6,1.0,,134.36,5.0,0.0,3.0,80.29,0.25,0.0,450.1571017,0.0,46.68,5.0,0.0,1.0
8052,Empagliflozin,solid,A10BD,A10B,A10,A,450.91,1.66,0.111,-3.6,1.0,12.57,113.79,4.0,4.0,6.0,108.61,-3.0,1.0,450.1445309,1.0,46.12,7.0,0.0,1.0
8053,Eliglustat,solid,A16AX,A16A,A16,A,404.551,3.21,0.113,-3.6,1.0,13.51,113.76,3.0,2.0,11.0,71.03,8.17,1.0,404.267507647,1.0,46.82,5.0,1.0,1.0
8054,Efinaconazole,solid,D01AC,D01A,D01,D,348.398,2.24,0.61,-2.8,1.0,12.7,103.94,3.0,1.0,5.0,54.18,7.45,1.0,348.17616767,0.0,34.48,4.0,1.0,1.0
8055,Tavaborole,solid,D01AE,D01A,D01,D,151.93,2.24,11.3,-1.1,1.0,8.91,33.86,2.0,1.0,0.0,29.46,-4.8,0.0,152.044488,0.0,14.21,2.0,0.0,1.0
8062,Naloxegol,solid,A06AH,A06A,A06,A,651.794,1.36,0.0566,-4.1,0.0,10.14,171.68,5.0,2.0,24.0,126.77,8.54,0.0,651.361861531,1.0,72.87,12.0,1.0,0.0
8066,Ibrutinib,solid,L01EL,L01E,L01,L,440.507,3.63,0.0203,-4.3,1.0,19.7,138.07,5.0,1.0,5.0,99.16,6.58,0.0,440.196074037,0.0,47.84,5.0,0.0,1.0
8067,Idelalisib,solid,L01EM,L01E,L01,L,415.432,3.36,0.0255,-4.2,1.0,9.86,116.83,5.0,2.0,5.0,99.16,4.27,1.0,415.155686391,0.0,41.41,6.0,0.0,1.0
8068,Acipimox,solid,C10AD,C10A,C10,C,154.125,-2.5,12.0,-1.1,1.0,-0.1,36.78,1.0,1.0,1.0,77.13,3.71,0.0,154.037842061,0.0,13.83,4.0,-1.0,1.0
8069,Amorolfine,solid,D01AE,D01A,D01,D,317.517,5.62,0.000785,-5.6,1.0,,99.61,2.0,0.0,6.0,12.47,8.49,0.0,317.271864751,0.0,40.23,2.0,1.0,0.0
8071,Atosiban,solid,G02CX,G02C,G02,G,994.19,-4.6,0.0517,-4.3,0.0,11.28,250.62,3.0,11.0,18.0,365.67,9.59,0.0,993.441208989,1.0,101.49,13.0,1.0,0.0
8073,Cannabidiol,solid,N03AX,N03A,N03,N,314.469,6.33,0.0126,-4.4,1.0,9.13,98.53,2.0,2.0,6.0,40.46,-5.7,0.0,314.224580206,0.0,38.35,2.0,0.0,0.0
8074,Cefminox,solid,J01DC,J01D,J01,J,519.57,-3.6,1.09,-2.7,0.0,1.56,133.34,3.0,4.0,11.0,202.86,8.82,0.0,519.066459566,1.0,48.92,11.0,-1.0,0.0
8075,Ceritinib,solid,L01ED,L01E,L01,L,558.135,5.81,0.00222,-5.4,0.0,11.58,153.86,4.0,3.0,9.0,105.24,10.07,0.0,557.22273844,1.0,61.33,8.0,1.0,0.0
8076,Ciprofibrate,solid,C10AB,C10A,C10,C,289.15,3.62,0.00779,-4.6,1.0,3.69,70.5,2.0,1.0,4.0,46.53,-4.9,1.0,288.0319997,0.0,28.08,3.0,-1.0,1.0
8077,Cobicistat,solid,J05AR,J05A,J05,J,776.03,4.99,0.00125,-5.8,0.0,14.18,211.49,5.0,3.0,20.0,138.02,6.69,0.0,775.354960183,1.0,83.42,7.0,0.0,0.0
8080,Vortioxetine,solid,N06AX,N06A,N06,N,298.45,4.76,0.00362,-4.9,1.0,,94.01,3.0,1.0,3.0,15.27,8.85,1.0,298.15036989,0.0,34.92,2.0,1.0,1.0
8081,Trimetazidine,solid,C01EB,C01E,C01,C,266.341,0.91,0.754,-2.6,1.0,,74.75,2.0,1.0,5.0,42.96,9.21,1.0,266.163042576,0.0,29.15,5.0,1.0,1.0
8082,Tibolone,solid,G03CX,G03C,G03,G,312.453,3.1,0.00722,-4.6,1.0,16.27,91.73,4.0,1.0,0.0,37.3,-1.7,1.0,312.208930142,0.0,36.77,2.0,0.0,1.0
8083,Tasimelteon,solid,N05CH,N05C,N05,N,245.322,1.98,0.0381,-3.8,1.0,15.74,70.35,3.0,1.0,4.0,38.33,-1.2,1.0,245.141578856,0.0,27.52,2.0,0.0,1.0
8084,Sodium oxybate,solid,N01AX,N01A,N01,N,126.087,-0.51,660.0,0.72,1.0,4.44,34.64,0.0,1.0,3.0,60.36,-2.4,0.0,126.02928837,0.0,9.74,3.0,-1.0,1.0
8085,Palbociclib,solid,L01EF,L01E,L01,L,447.5328,2.77,0.0174,-4.4,1.0,11.34,127.47,5.0,2.0,5.0,103.35,8.86,1.0,447.238273207,0.0,49.69,8.0,1.0,1.0
8086,Olaparib,solid,L01XK,L01X,L01,L,434.4628,1.96,0.0601,-3.9,1.0,9.96,117.53,5.0,1.0,4.0,82.08,-0.9,1.0,434.175418827,0.0,43.81,4.0,0.0,1.0
8087,Edoxaban,solid,B01AF,B01A,B01,B,548.06,0.9,0.0114,-4.7,1.0,10.74,140.14,4.0,3.0,6.0,136.63,6.33,0.0,547.1768513,1.0,56.31,7.0,0.0,0.0
8088,Umeclidinium,solid,R03AL,R03A,R03,R,428.595,0.68,1.94e-05,-7.4,1.0,13.04,141.75,5.0,1.0,8.0,29.46,-3.7,0.0,428.258405759,1.0,50.42,2.0,1.0,1.0
8090,Lenvatinib,solid,L01EX,L01E,L01,L,426.86,2.52,0.00622,-4.8,1.0,12.37,112.21,4.0,3.0,6.0,115.57,5.4,1.0,426.1094828,1.0,42.29,4.0,0.0,1.0
8091,Nintedanib,solid,L01EX,L01E,L01,L,539.6248,2.79,0.0309,-4.2,1.0,10.86,159.1,5.0,2.0,8.0,94.22,7.23,0.0,539.253254569,1.0,58.79,6.0,1.0,0.0
8092,Olodaterol,solid,R03AL,R03A,R03,R,386.448,1.19,0.0703,-3.7,1.0,9.22,106.9,3.0,4.0,7.0,100.05,9.84,1.0,386.184171945,1.0,41.34,6.0,1.0,1.0
8093,Idebenone,solid,N06BX,N06B,N06,N,338.444,3.57,0.0163,-4.3,1.0,16.84,96.52,1.0,1.0,12.0,72.83,-2.0,1.0,338.209324066,0.0,39.56,5.0,0.0,1.0
8094,Vilanterol,solid,R03AL,R03A,R03,R,486.43,3.6,0.00118,-5.6,1.0,10.12,129.09,2.0,4.0,16.0,91.18,9.4,0.0,485.1735786,0.0,53.67,6.0,1.0,1.0
8095,Ivabradine,solid,C01EB,C01E,C01,C,468.594,2.72,0.0202,-4.4,1.0,,133.51,4.0,0.0,10.0,60.47,9.37,0.0,468.262422267,1.0,54.56,6.0,1.0,1.0
8096,Benzydamine,solid,A01AD,A01A,A01,A,309.413,3.66,0.0491,-3.8,1.0,,105.56,3.0,0.0,7.0,30.29,9.26,1.0,309.184112373,1.0,35.62,3.0,1.0,1.0
8097,Tetracaine,solid,C05AD,C05A,C05,C,264.369,2.79,0.555,-2.7,1.0,,80.17,1.0,1.0,9.0,41.57,8.42,1.0,264.183778021,0.0,31.9,3.0,1.0,1.0
8101,Trimebutine,solid,A03AA,A03A,A03,A,387.476,4.11,0.019,-4.3,1.0,,108.94,2.0,0.0,10.0,57.23,8.48,1.0,387.204573038,0.0,42.43,5.0,1.0,1.0
8102,Pinaverium,solid,A03AX,A03A,A03,A,511.52,0.67,3.42e-06,-8.2,1.0,17.16,143.32,4.0,0.0,10.0,36.92,-3.8,0.0,510.221348,1.0,54.41,4.0,1.0,0.0
8103,Tixocortol,solid,R01AD,R01A,R01,R,378.53,2.32,0.0428,-4.0,1.0,9.57,103.53,4.0,3.0,2.0,74.6,-2.8,1.0,378.18648062,0.0,41.96,4.0,0.0,1.0
8104,Xanthinol,solid,C04AD,C04A,C04,C,311.342,-1.8,17.3,-1.2,1.0,14.38,80.11,2.0,2.0,6.0,102.14,8.86,0.0,311.159354176,0.0,31.95,6.0,1.0,1.0
8105,Chlortetracycline,solid,D06AA,D06A,D06,D,478.88,-2.9,0.259,-3.3,1.0,2.99,118.99,4.0,6.0,2.0,181.62,9.04,0.0,478.114293429,0.0,45.61,9.0,-1.0,0.0
8107,Difluocortolone,solid,D07AC,D07A,D07,D,394.459,2.01,0.0446,-4.0,1.0,13.42,100.99,4.0,2.0,2.0,74.6,-3.3,1.0,394.195565708,0.0,40.2,4.0,0.0,1.0
8108,Benzoyl peroxide,solid,D10AE,D10A,D10,D,242.2268,3.95,0.0294,-3.9,1.0,,64.77,2.0,0.0,5.0,52.6,-7.2,1.0,242.057908808,0.0,24.16,2.0,0.0,1.0
8109,Quinagolide,solid,G02CB,G02C,G02,G,395.56,2.5,0.154,-3.4,1.0,10.2,109.66,3.0,2.0,5.0,72.88,8.22,1.0,395.224263109,0.0,44.11,5.0,1.0,1.0
8111,Somatostatin,solid,H01CB,H01C,H01,H,1637.9,-8.2,0.0205,-4.9,0.0,2.88,420.26,6.0,22.0,26.0,613.23,10.47,0.0,1636.716655549,1.0,165.8,22.0,2.0,0.0
8113,Elvitegravir,solid,J05AJ,J05A,J05,J,447.884,4.67,0.00652,-4.8,1.0,5.97,116.26,3.0,2.0,7.0,87.07,-0.53,1.0,447.124878763,1.0,44.8,6.0,-1.0,1.0
8114,Daclatasvir,solid,J05AP,J05A,J05,J,738.89,4.18,0.00852,-4.9,0.0,11.15,201.82,6.0,4.0,13.0,174.64,6.09,0.0,738.385331362,1.0,83.91,6.0,0.0,0.0
8122,Coenzyme M,solid,R05CB,R05C,R05,R,142.197,-0.4,12.7,-1.0,1.0,-1.2,29.13,0.0,2.0,2.0,54.37,,0.0,141.975835438,0.0,12.54,3.0,-1.0,1.0
8124,Nitrous acid,solid,V03AB,V03A,V03,V,47.0134,0.17,820.0,,1.0,,8.72,0.0,1.0,0.0,49.66,-3.5,0.0,47.000728281,0.0,2.81,3.0,0.0,1.0
8126,Colfosceril palmitate,solid,R07AA,R07A,R07,R,734.0389,8.11,2.4e-05,-7.5,0.0,1.86,215.87,0.0,0.0,40.0,111.19,-6.7,0.0,733.562155053,0.0,92.0,4.0,0.0,0.0
8127,Diiodohydroxyquinoline,solid,G01AC,G01A,G01,G,396.954,3.69,0.0815,-3.7,1.0,7.39,68.69,2.0,1.0,0.0,33.12,3.34,0.0,396.84605,0.0,25.9,2.0,0.0,1.0
8128,Calcium carbimide,solid,N07BB,N07B,N07,N,80.103,-0.25,8.71,-1.2,1.0,,6.38,0.0,0.0,0.0,34.14,3.56,0.0,79.9687389,0.0,2.91,2.0,0.0,1.0
8129,Paraldehyde,liquid,N05CC,N05C,N05,N,132.1577,0.88,177.0,0.13,1.0,,32.09,1.0,0.0,0.0,27.69,-4.0,0.0,132.07864425,0.0,14.15,3.0,0.0,1.0
8130,Stiripentol,solid,N03AX,N03A,N03,N,234.295,3.12,0.405,-2.8,1.0,14.34,66.77,2.0,1.0,3.0,38.69,-3.1,1.0,234.12559444,0.0,26.21,3.0,0.0,1.0
8132,Zucapsaicin,solid,M02AB,M02A,M02,M,305.4119,3.75,0.00841,-4.6,1.0,9.93,90.32,1.0,2.0,9.0,58.56,-1.4,1.0,305.199093735,0.0,35.34,3.0,0.0,1.0
8133,Aurothioglucose,liquid,M01CB,M01C,M01,M,392.18,-2.2,96.4,-0.61,1.0,12.51,41.25,1.0,4.0,2.0,90.15,-3.0,0.0,391.999289,0.0,19.88,5.0,0.0,1.0
8135,Dienogest,solid,G03AB,G03A,G03,G,311.425,2.31,0.0761,-3.6,1.0,13.78,90.19,4.0,1.0,1.0,61.09,-3.3,1.0,311.188529049,0.0,35.4,3.0,0.0,1.0
8136,Medrogestone,solid,G03DB,G03D,G03,G,340.507,4.59,0.00404,-4.9,1.0,19.18,102.6,4.0,0.0,1.0,34.14,-4.9,1.0,340.24023027,0.0,40.37,2.0,0.0,1.0
8137,Potassium citrate,solid,A12BA,A12B,A12,A,306.394,-1.3,39.4,-0.89,1.0,3.05,68.14,0.0,1.0,5.0,140.62,-4.2,0.0,305.89464697,0.0,14.23,7.0,-3.0,1.0
8139,Brexpiprazole,solid,N05AX,N05A,N05,N,433.57,4.65,0.00227,-5.3,1.0,13.56,129.16,5.0,1.0,7.0,44.81,8.4,1.0,433.182398295,1.0,49.48,4.0,1.0,1.0
8143,Gadoteric acid,solid,V08CA,V08C,V08,V,558.65,-7.7,12.8,-1.7,0.0,0.47,128.93,1.0,1.0,8.0,170.65,10.08,0.0,559.09135,0.0,38.15,12.0,-2.0,0.0
8144,Iothalamic acid,solid,V08AA,V08A,V08,V,613.916,2.73,0.123,-3.7,1.0,2.13,102.24,1.0,3.0,3.0,95.5,-1.7,0.0,613.76964,0.0,38.58,4.0,-1.0,0.0
8145,Ioversol,solid,V08AB,V08A,V08,V,807.115,-2.1,1.04,-2.9,0.0,11.72,144.58,1.0,8.0,12.0,199.89,-2.6,0.0,806.86466,0.0,58.31,9.0,0.0,0.0
8146,Ioxilan,solid,V08AB,V08A,V08,V,791.116,-1.3,0.559,-3.2,0.0,11.74,142.88,1.0,7.0,11.0,179.66,-1.7,0.0,790.86975,0.0,57.05,8.0,0.0,0.0
8148,Technetium Tc-99m mebrofenin,solid,V09DA,V09D,V09,V,484.23,-0.42,0.0568,-3.8,1.0,2.81,89.27,1.0,3.0,7.0,106.94,2.14,0.0,483.05,0.0,35.23,6.0,-1.0,1.0
8149,Technetium Tc-99m medronate,solid,V09BA,V09B,V09,V,305.906,-2.4,13.5,-1.5,1.0,1.27,23.39,0.0,0.0,2.0,126.38,,0.0,305.861006841,0.0,10.06,6.0,-2.0,1.0
8150,Technetium Tc-99m oxidronate,solid,V09BA,V09B,V09,V,290.906,-2.0,13.5,-1.2,1.0,0.75,29.72,0.0,5.0,2.0,135.29,-5.0,0.0,290.865131083,0.0,11.94,7.0,-3.0,1.0
8151,Oxygen,gas,V03AN,V03A,V03,V,31.9988,-0.28,39.0,,1.0,,2.89,0.0,0.0,0.0,34.14,,0.0,31.989829244,0.0,1.53,2.0,0.0,1.0
8153,Sincalide,solid,V04CC,V04C,V04,V,1143.27,-2.4,0.00441,-5.4,0.0,-2.0,282.07,4.0,13.0,33.0,426.8,8.23,0.0,1142.350739478,1.0,112.69,16.0,-2.0,0.0
8154,Sonidegib,solid,L01XJ,L01X,L01,L,485.507,6.76,0.00155,-5.5,1.0,14.21,125.34,4.0,1.0,6.0,63.69,5.45,0.0,485.192626198,1.0,49.91,5.0,0.0,0.0
8155,Uridine triacetate,solid,A16AX,A16A,A16,A,370.314,-1.1,14.6,-1.4,1.0,9.7,80.02,2.0,1.0,8.0,137.54,-4.3,0.0,370.101230168,0.0,34.34,6.0,0.0,1.0
8157,Iron sucrose,solid,B03AB,B03A,B03,B,866.546,-4.5,9.52,-1.8,0.0,11.84,68.77,2.0,8.0,5.0,189.53,-3.0,0.0,866.764181,0.0,30.97,11.0,0.0,0.0
8159,Florbetaben (18F),solid,V09AX,V09A,V09,V,358.444,3.74,0.00103,-5.5,1.0,,104.86,2.0,1.0,12.0,39.72,4.62,1.0,358.192206368,0.0,41.65,4.0,0.0,1.0
8160,Florbetapir (18F),solid,V09AX,V09A,V09,V,359.432,3.11,0.0058,-4.8,1.0,,103.01,2.0,1.0,12.0,52.61,4.62,1.0,359.18745534,0.0,40.43,5.0,0.0,1.0
8161,Flutemetamol (18F),solid,V09AX,V09A,V09,V,273.32,3.45,0.0135,-4.3,1.0,9.23,84.62,3.0,2.0,2.0,45.15,2.89,1.0,273.060146823,0.0,28.19,3.0,0.0,1.0
8163,Sodium chloride,solid,B05XA,B05X,B05,B,58.443,-0.77,108.0,0.26,1.0,3.09,0.0,0.0,0.0,0.0,0.0,,0.0,57.958622382,0.0,1.78,0.0,1.0,1.0
8164,Sodium citrate,solid,B05CB,B05C,B05,B,258.068,-1.3,73.7,-0.54,1.0,3.05,68.14,0.0,1.0,5.0,140.62,-4.2,0.0,257.97283534,0.0,14.23,7.0,-3.0,1.0
8165,Helium,gas,V03AN,V03A,V03,V,4.0026,0.0,1.5,,1.0,,0.0,0.0,0.0,0.0,0.0,,0.0,4.00260325,0.0,1.78,0.0,0.0,1.0
8166,Iopromide,solid,V08AB,V08A,V08,V,791.1119,-0.44,0.366,-3.3,0.0,11.09,144.82,1.0,6.0,11.0,168.66,-1.7,0.0,790.869745019,0.0,57.56,8.0,0.0,0.0
8169,Technetium Tc-99m tetrofosmin,solid,V09GA,V09G,V09,V,898.86,1.14,0.000664,-5.8,0.0,,115.73,0.0,0.0,38.0,36.92,8.3,0.0,898.408712589,0.0,45.52,4.0,2.0,0.0
8170,Technetium Tc-99m sestamibi,solid,V09GA,V09G,V09,V,775.96,-1.3,0.00465,-5.2,0.0,16.14,41.61,0.0,0.0,12.0,13.59,-4.2,0.0,775.5,0.0,12.7,1.0,1.0,0.0
8172,Technetium Tc-99m disofenin,solid,V09DA,V09D,V09,V,449.321,1.01,0.0463,-3.9,1.0,3.11,94.9,1.0,3.0,9.0,106.94,2.41,1.0,449.090426499,0.0,37.21,6.0,-1.0,1.0
8173,Technetium Tc-99m pyrophosphate,solid,V09BA,V09B,V09,V,272.847,-1.4,10.8,-1.6,1.0,1.7,21.04,0.0,0.0,2.0,135.61,,0.0,272.81818089,0.0,9.03,6.0,-3.0,1.0
8174,Etizolam,solid,N05BA,N05B,N05,N,342.846,4.06,0.0425,-3.9,1.0,18.16,104.72,4.0,0.0,2.0,43.07,4.55,1.0,342.070594897,0.0,35.64,3.0,0.0,1.0
8175,Dosulepin,solid,N06AA,N06A,N06,N,295.44,4.52,0.000572,-5.7,1.0,,104.59,3.0,0.0,3.0,3.24,9.76,1.0,295.139470854,0.0,34.57,1.0,1.0,1.0
8190,Dasabuvir,solid,J05AP,J05A,J05,J,493.58,3.42,0.000799,-5.8,1.0,9.09,134.04,4.0,2.0,5.0,104.81,-4.8,0.0,493.167142155,0.0,53.19,5.0,0.0,1.0
8192,Viloxazine,solid,N06AX,N06A,N06,N,237.299,1.49,1.24,-2.3,1.0,,65.2,2.0,1.0,5.0,39.72,8.19,1.0,237.136493476,0.0,26.32,4.0,1.0,1.0
8201,Etoperidone,solid,N06AB,N06A,N06,N,377.92,3.37,0.425,-3.0,1.0,,106.57,3.0,0.0,7.0,42.39,7.09,1.0,377.1982382,1.0,42.23,4.0,1.0,1.0
8205,Lobeglitazone,solid,A10BG,A10B,A10,A,480.54,4.31,0.0181,-4.4,1.0,7.61,129.63,4.0,1.0,10.0,102.88,3.96,0.0,480.146741063,1.0,49.64,7.0,0.0,1.0
8210,Synephrine,solid,S01GA,S01G,S01,S,167.205,-0.071,18.6,-0.95,1.0,9.76,47.25,1.0,3.0,3.0,52.49,9.15,1.0,167.094628665,0.0,18.23,3.0,1.0,1.0
8212,Moxisylyte,solid,C04AX,C04A,C04,C,279.38,3.2,0.406,-2.8,1.0,,80.9,1.0,0.0,7.0,38.77,8.79,1.0,279.183443669,0.0,32.39,3.0,1.0,1.0
8213,Trimazosin,solid,C02CA,C02C,C02,C,435.481,1.2,1.56,-2.4,1.0,14.59,114.87,3.0,2.0,7.0,132.5,5.99,1.0,435.211783674,1.0,46.3,9.0,0.0,1.0
8216,Pholcodine,solid,R05DA,R05D,R05,R,398.4953,1.14,0.489,-2.9,1.0,13.78,111.7,6.0,1.0,4.0,54.4,9.19,1.0,398.220557458,0.0,43.76,6.0,1.0,1.0
8217,Piracetam,solid,N06BX,N06B,N06,N,142.1558,-1.7,479.0,0.53,1.0,15.93,35.06,1.0,1.0,2.0,63.4,-2.0,0.0,142.074227574,0.0,13.96,2.0,0.0,1.0
8219,Loxoprofen,solid,M02AA,M02A,M02,M,246.3016,3.35,0.0663,-3.6,1.0,4.19,68.8,2.0,1.0,4.0,54.37,-7.4,1.0,246.125594442,0.0,27.08,3.0,-1.0,1.0
8220,Dexibuprofen,solid,M01AE,M01A,M01,M,206.2808,3.84,0.0684,-3.5,1.0,4.85,60.73,1.0,1.0,4.0,37.3,,1.0,206.13067982,0.0,23.81,2.0,-1.0,1.0
8221,Dexketoprofen,solid,M02AA,M02A,M02,M,254.2806,3.61,0.0213,-4.1,1.0,3.88,72.52,2.0,1.0,4.0,54.37,-7.5,1.0,254.094294314,0.0,26.88,3.0,-1.0,1.0
8222,Droxicam,solid,M01AC,M01A,M01,M,357.34,1.23,0.0319,-4.0,1.0,,88.19,4.0,0.0,1.0,96.88,0.92,1.0,357.04194164,0.0,33.9,5.0,0.0,1.0
8223,Tolfenamic acid,solid,M01AG,M01A,M01,M,261.704,5.49,0.0158,-4.2,1.0,3.88,71.65,2.0,2.0,3.0,49.33,-2.1,1.0,261.05565634,0.0,26.46,3.0,-1.0,0.0
8226,Bisoxatin,solid,A06AB,A06A,A06,A,333.343,3.75,0.0201,-4.2,1.0,9.15,93.92,4.0,3.0,2.0,78.79,-5.0,1.0,333.100107967,0.0,34.26,4.0,0.0,1.0
8227,Nicorandil,solid,C01DX,C01D,C01,C,211.177,-0.16,1.19,-2.2,1.0,13.81,49.86,1.0,1.0,5.0,94.36,3.62,1.0,211.059305782,0.0,19.34,5.0,0.0,1.0
8231,Melperone,solid,N05AD,N05A,N05,N,263.356,3.23,0.049,-3.7,1.0,16.4,76.25,2.0,0.0,5.0,20.31,8.9,1.0,263.168542495,0.0,30.25,2.0,1.0,1.0
8232,Zotepine,solid,N05AX,N05A,N05,N,331.86,4.51,0.000777,-5.6,1.0,,97.61,3.0,0.0,4.0,12.47,8.92,1.0,331.0797631,0.0,36.21,2.0,1.0,1.0
8234,Barnidipine,solid,C08CA,C08C,C08,C,491.544,3.51,0.004,-5.1,1.0,19.47,136.36,4.0,1.0,9.0,111.01,7.91,0.0,491.205635666,1.0,51.03,6.0,1.0,1.0
8238,Benidipine,solid,C08CA,C08C,C08,C,505.571,4.02,0.00243,-5.3,1.0,19.47,141.0,4.0,1.0,9.0,111.01,7.89,0.0,505.22128573,1.0,53.53,6.0,1.0,0.0
8239,Cilnidipine,solid,C08CA,C08C,C08,C,492.528,4.1,0.000566,-5.9,1.0,19.46,137.14,3.0,1.0,12.0,117.0,-4.1,0.0,492.18965125,1.0,51.97,6.0,0.0,1.0
8243,Lacidipine,solid,C08CA,C08C,C08,C,455.551,4.19,0.00224,-5.3,1.0,19.47,129.91,2.0,1.0,11.0,90.93,-6.4,1.0,455.230787787,0.0,49.74,4.0,0.0,1.0
8244,Levamlodipine,solid,C08CA,C08C,C08,C,408.88,1.64,0.0074,-4.7,1.0,19.12,108.64,2.0,2.0,10.0,99.88,9.45,1.0,408.1451996,0.0,42.11,5.0,1.0,1.0
8245,Manidipine,solid,C08CA,C08C,C08,C,610.711,5.19,0.000995,-5.8,0.0,19.47,175.13,5.0,1.0,12.0,116.93,7.89,0.0,610.27913496,1.0,65.72,7.0,1.0,0.0
8248,Methylene blue,solid,V03AB,V03A,V03,V,319.85,2.61,0.0296,-4.0,1.0,,86.98,3.0,0.0,2.0,19.37,2.44,1.0,319.0909965,0.0,33.1,3.0,1.0,1.0
8249,Moxonidine,solid,C02AC,C02A,C02,C,241.677,1.54,0.114,-3.3,1.0,,63.41,2.0,2.0,2.0,71.43,7.26,1.0,241.073037738,0.0,23.57,6.0,1.0,1.0
8252,Toloxatone,solid,N06AG,N06A,N06,N,207.229,1.41,54.9,-0.58,1.0,14.61,54.7,2.0,1.0,2.0,49.77,-1.7,1.0,207.089543283,0.0,21.75,3.0,0.0,1.0
8254,Iproclozide,solid,N06AF,N06A,N06,N,242.7,1.79,0.2,-3.1,1.0,11.58,73.21,1.0,2.0,5.0,50.36,3.97,1.0,242.0822054,0.0,25.21,3.0,0.0,1.0
8263,Tegafur,solid,L01BC,L01B,L01,L,200.169,0.024,14.0,-1.2,1.0,8.08,44.5,2.0,1.0,1.0,58.64,-4.3,1.0,200.059720321,0.0,17.52,3.0,0.0,1.0
8274,Strontium ranelate,solid,M05BX,M05B,M05,M,513.49,0.27,2.17,-2.5,1.0,1.63,116.34,1.0,0.0,8.0,187.55,,0.0,513.795712,0.0,27.91,10.0,-4.0,0.0
8275,Picosulfuric acid,solid,A06AB,A06A,A06,A,437.44,-1.5,0.0185,-4.4,1.0,-2.5,101.83,3.0,2.0,7.0,140.09,4.08,0.0,437.023908795,1.0,40.3,7.0,-2.0,1.0
8276,Phenylacetic acid,solid,A16AX,A16A,A16,A,136.1479,1.61,3.61,-1.6,1.0,4.55,37.37,1.0,1.0,2.0,37.3,,0.0,136.0524295,0.0,13.85,2.0,-1.0,1.0
8277,Ubidecarenone,solid,C01EB,C01E,C01,C,863.3435,17.16,0.000193,-6.6,0.0,,286.61,1.0,0.0,31.0,52.6,-4.7,0.0,862.683911368,0.0,112.37,4.0,0.0,0.0
8278,Cimetropium,solid,A03BB,A03B,A03,A,358.457,-2.5,0.00244,-5.2,1.0,15.15,107.58,5.0,1.0,7.0,59.06,-2.7,0.0,358.201284806,1.0,38.5,3.0,1.0,1.0
8279,Eluxadoline,solid,A07DA,A07D,A07,A,569.662,1.8,0.00268,-5.3,0.0,3.66,160.38,4.0,4.0,11.0,164.63,7.99,0.0,569.263819247,1.0,61.86,7.0,0.0,0.0
8280,Doxofylline,solid,R03DA,R03D,R03,R,266.257,-0.49,14.5,-1.3,1.0,,64.69,3.0,0.0,2.0,76.9,-1.3,0.0,266.101504947,0.0,25.92,5.0,0.0,1.0
8281,Artesunate,solid,P01BE,P01B,P01,P,384.425,3.1,0.678,-2.8,1.0,3.77,89.95,4.0,1.0,5.0,100.52,-4.2,1.0,384.178417862,0.0,39.46,7.0,-1.0,1.0
8282,Bismuth subcitrate potassium,solid,A02BD,A02B,A02,A,780.654,-1.3,13.8,-1.6,1.0,3.05,78.69,0.0,0.0,10.0,143.45,-4.2,0.0,779.79034,0.0,13.97,7.0,-3.0,0.0
8283,Sodium aurothiomalate,solid,M01CB,M01C,M01,M,390.07,-0.11,38.8,-1.0,1.0,3.18,51.78,0.0,0.0,4.0,80.26,,0.0,389.921312,0.0,13.65,4.0,-2.0,1.0
8286,Fimasartan,solid,C09DA,C09D,C09,C,501.65,4.21,0.00469,-5.0,1.0,4.23,161.24,4.0,1.0,9.0,90.37,1.34,0.0,501.23107982,1.0,54.86,5.0,-1.0,0.0
8287,Lumacaftor,solid,R07AX,R07A,R07,R,452.414,5.77,0.00376,-5.1,1.0,4.17,111.97,5.0,2.0,5.0,97.75,3.5,0.0,452.118378014,0.0,44.12,6.0,-1.0,0.0
8289,Molsidomine,solid,C01DX,C01D,C01,C,242.235,-1.0,13.3,-1.4,1.0,9.94,76.99,2.0,0.0,4.0,77.91,-3.2,0.0,242.101504947,0.0,23.94,5.0,1.0,1.0
8290,Trapidil,solid,C01DX,C01D,C01,C,205.265,1.25,1.93,-2.0,1.0,,71.38,2.0,0.0,3.0,46.32,1.02,1.0,205.132745503,0.0,22.55,4.0,0.0,1.0
8291,Imolamine,solid,C01DX,C01D,C01,C,260.341,2.78,0.162,-3.2,1.0,,87.17,2.0,1.0,6.0,51.92,8.17,1.0,260.16371128,0.0,28.81,5.0,1.0,1.0
8292,Morniflumate,solid,M01AX,M01A,M01,M,395.382,4.77,0.0861,-3.7,1.0,14.21,97.79,3.0,1.0,8.0,63.69,5.86,1.0,395.145676005,1.0,38.37,5.0,0.0,1.0
8293,Pipamperone,solid,N05AD,N05A,N05,N,375.488,1.87,0.182,-3.3,1.0,15.94,105.1,3.0,1.0,7.0,66.64,8.69,1.0,375.232205381,1.0,41.16,4.0,1.0,1.0
8295,Propacetamol,solid,N02BE,N02B,N02,N,264.325,1.42,0.513,-2.7,1.0,14.67,74.98,1.0,1.0,7.0,58.64,6.83,1.0,264.147392512,0.0,29.17,3.0,1.0,1.0
8296,Tianeptine,solid,N06AX,N06A,N06,N,436.952,1.54,0.00413,-5.0,1.0,4.22,113.41,3.0,2.0,8.0,86.71,7.81,1.0,436.122355695,1.0,45.74,5.0,0.0,1.0
8298,Rolapitant,solid,A04AD,A04A,A04,A,500.485,5.0,0.00166,-5.5,0.0,14.15,118.28,4.0,2.0,7.0,50.36,8.3,0.0,500.189847063,1.0,46.18,3.0,1.0,0.0
8299,Sacubitril,solid,C09DX,C09D,C09,C,411.498,3.79,0.000942,-5.6,1.0,4.18,114.06,2.0,2.0,12.0,92.7,-1.6,1.0,411.204573038,0.0,44.48,4.0,-1.0,1.0
8302,Ombitasvir,solid,J05AP,J05A,J05,J,894.127,7.49,0.00193,-5.7,0.0,12.77,250.79,6.0,4.0,16.0,178.72,2.16,0.0,893.505112145,1.0,99.1,7.0,0.0,0.0
8303,Paritaprevir,solid,J05AP,J05A,J05,J,765.89,2.49,0.00778,-5.0,1.0,3.8,200.98,8.0,3.0,6.0,189.65,2.64,0.0,765.294467927,1.0,78.72,10.0,-1.0,0.0
8304,Silibinin,solid,A05BA,A05B,A05,A,482.441,2.63,0.0926,-3.7,1.0,7.75,120.29,5.0,5.0,4.0,155.14,-3.0,0.0,482.121296908,0.0,48.41,10.0,0.0,1.0
8305,Tenofovir alafenamide,solid,J05AR,J05A,J05,J,476.474,1.88,0.236,-3.3,1.0,11.36,122.74,3.0,2.0,12.0,143.48,5.12,1.0,476.193705056,1.0,47.88,7.0,0.0,1.0
8306,Butylscopolamine,solid,A03DB,A03D,A03,A,360.473,-1.9,0.00201,-5.3,1.0,15.15,109.51,4.0,1.0,8.0,59.06,-2.7,0.0,360.21693487,1.0,39.82,3.0,1.0,1.0
8314,Solithromycin,solid,J01FA,J01F,J01,J,845.0088,5.76,0.0167,-4.7,0.0,12.83,230.73,5.0,2.0,11.0,197.87,8.9,0.0,844.474620535,1.0,90.81,12.0,1.0,0.0
8319,Ioxaglic acid,solid,V08AB,V08A,V08,V,1268.886,3.75,0.0152,-4.9,0.0,2.13,214.05,2.0,6.0,10.0,194.24,-1.7,0.0,1268.56583,0.0,82.94,8.0,-1.0,0.0
8320,Technetium Tc-99m pertechnetate,solid,V09FX,V09F,V09,V,169.968,-0.65,137.0,0.61,1.0,15.7,3.7,0.0,1.0,0.0,25.3,-1.8,0.0,169.95002301,0.0,1.51,1.0,0.0,1.0
8325,Carindacillin,solid,J01CR,J01C,J01,J,494.56,3.63,0.00491,-5.0,1.0,3.29,128.25,5.0,2.0,7.0,113.01,-6.3,0.0,494.151157739,1.0,50.52,5.0,-1.0,1.0
8326,Procaine benzylpenicillin,solid,J01CR,J01C,J01,J,570.71,1.08,0.285,-3.1,0.0,3.53,84.53,4.0,2.0,11.0,86.71,-2.8,0.0,570.251206134,1.0,33.5,4.0,-1.0,0.0
8329,Sulbactam,solid,J01CG,J01C,J01,J,233.242,-0.89,48.5,-0.68,1.0,3.09,48.21,2.0,1.0,1.0,91.75,-3.8,0.0,233.035793157,0.0,20.63,5.0,-1.0,1.0
8330,Sodium fluoride,solid,A01AA,A01A,A01,A,41.9882,0.15,4.0,,1.0,3.17,0.87,0.0,0.0,0.0,0.0,,0.0,41.98817288,0.0,0.44,0.0,-1.0,1.0
8335,Osimertinib,solid,L01EB,L01E,L01,L,499.619,4.49,0.0224,-4.4,1.0,13.64,150.32,4.0,2.0,10.0,87.55,8.87,0.0,499.269573331,1.0,56.84,7.0,1.0,1.0
8338,Iopodic acid,solid,V08AC,V08A,V08,V,597.961,3.4,0.00819,-4.9,1.0,1.99,104.91,1.0,1.0,4.0,52.9,4.16,0.0,597.81111,0.0,40.23,4.0,-1.0,0.0
8343,Mersalyl,solid,C03BC,C03B,C03,C,483.87,-0.74,9.9,-1.7,1.0,3.24,69.75,1.0,3.0,9.0,105.09,-1.3,0.0,485.07623,0.0,30.58,6.0,-1.0,1.0
8345,Tyropanoic acid,solid,V08AC,V08A,V08,V,641.026,6.21,0.00318,-5.3,0.0,2.52,115.32,1.0,2.0,7.0,66.4,-3.9,0.0,640.84208,0.0,44.91,3.0,-1.0,0.0
8350,Pramocaine,solid,D04AB,D04A,D04,D,293.407,2.84,0.221,-3.1,1.0,,84.82,2.0,0.0,9.0,30.93,7.06,1.0,293.199093733,0.0,35.11,4.0,1.0,1.0
8351,Metrizoic acid,solid,V08AA,V08A,V08,V,627.943,2.76,0.0877,-3.8,1.0,2.16,106.24,1.0,2.0,3.0,86.71,-3.9,0.0,627.78529,0.0,39.93,4.0,-1.0,0.0
8352,Acetrizoic acid,solid,V08AA,V08A,V08,V,556.864,3.66,0.0559,-4.0,1.0,2.33,88.26,1.0,2.0,2.0,66.4,-4.5,0.0,556.74818,0.0,33.43,3.0,-1.0,0.0
8361,Dexpanthenol,,D03AX,D03A,D03,D,205.2515,-1.7,121.0,-0.23,1.0,12.69,51.88,0.0,4.0,6.0,89.79,-2.4,0.0,205.131408101,0.0,21.87,4.0,0.0,1.0
8368,Norethynodrel,,G03FA,G03F,G03,G,298.426,2.81,0.00982,-4.5,1.0,16.21,87.18,4.0,1.0,0.0,37.3,-1.7,1.0,298.193280077,0.0,34.79,2.0,0.0,1.0
8379,Iodohippurate sodium I-131,,V09CX,V09C,V09,V,331.055,1.45,0.324,-3.0,1.0,2.65,70.32,1.0,1.0,3.0,69.23,-1.7,1.0,330.93848654,0.0,22.44,3.0,-1.0,1.0
8380,Meprednisone,,H02AB,H02A,H02,H,372.461,2.02,0.0711,-3.7,1.0,12.44,102.04,4.0,2.0,2.0,91.67,-3.3,1.0,372.193674002,0.0,40.19,5.0,0.0,1.0
8384,Norgestrel,,G03FA,G03F,G03,G,312.453,3.66,0.00583,-4.7,1.0,17.91,92.03,4.0,1.0,1.0,37.3,-1.5,1.0,312.208930142,0.0,36.83,2.0,0.0,1.0
8392,Iocetamic acid,,V08AC,V08A,V08,V,613.96,2.99,0.0537,-4.1,1.0,2.74,104.18,1.0,2.0,4.0,83.63,1.58,0.0,613.80603,0.0,39.94,4.0,-1.0,0.0
8400,Potassium perchlorate,solid,H03BC,H03B,H03,H,138.549,-0.098,102.0,-0.13,1.0,-7.1,11.91,0.0,0.0,0.0,74.27,,0.0,137.912218056,0.0,5.23,4.0,-1.0,1.0
8403,Protirelin,,V04CJ,V04C,V04,V,362.3837,-3.3,4.18,-1.9,1.0,11.15,89.76,3.0,4.0,6.0,150.28,6.74,0.0,362.170253222,1.0,35.03,5.0,0.0,1.0
8406,Indium In-111 pentetate,,V09AX,V09A,V09,V,501.23,-6.3,5.71,-2.0,0.0,1.95,118.96,0.0,2.0,16.0,204.71,8.82,0.0,501.019979533,0.0,34.91,13.0,-3.0,0.0
8413,Iodohippurate sodium I-123,,V09CX,V09C,V09,V,323.054,1.45,0.324,-3.0,1.0,2.65,70.32,1.0,1.0,3.0,69.23,-1.7,1.0,322.93796031,0.0,22.44,3.0,-1.0,1.0
8414,"Sodium phosphate, monobasic",solid,A06AG,A06A,A06,A,119.977,-1.0,121.0,,1.0,1.8,13.53,0.0,2.0,0.0,80.59,,0.0,119.958839739,0.0,5.53,4.0,-2.0,1.0
8419,Glycerin,,A06AX,A06A,A06,A,92.0938,-1.8,1170.0,1.1,1.0,13.61,20.52,0.0,3.0,2.0,60.69,-3.0,0.0,92.047344122,0.0,8.93,3.0,0.0,1.0
8425,Magnesium carbonate,solid,A02AA,A02A,A02,A,84.314,0.25,226.0,0.21,1.0,3.5,31.17,0.0,0.0,0.0,63.19,,0.0,83.969785764,0.0,3.52,3.0,-1.0,1.0
8426,Potassium lactate,,B05XA,B05X,B05,B,128.1683,-0.47,786.0,0.79,1.0,3.78,29.68,0.0,1.0,1.0,60.36,-3.7,0.0,127.987575887,0.0,7.65,3.0,-1.0,1.0
8428,Iotrolan,,V08AB,V08A,V08,V,1626.242,-3.7,0.539,-3.5,0.0,11.5,290.72,2.0,16.0,24.0,399.78,-3.3,0.0,1625.72933,0.0,116.79,18.0,0.0,0.0
8429,Acrivastine,,R06AX,R06A,R06,R,348.4382,1.71,0.00994,-4.5,1.0,3.68,115.08,3.0,1.0,6.0,53.43,8.63,1.0,348.183778022,1.0,39.09,4.0,0.0,1.0
8434,Octinoxate,liquid,D02BA,D02B,D02,D,290.3972,5.38,0.000452,-5.8,1.0,,86.44,1.0,0.0,10.0,35.53,-4.8,1.0,290.188194698,0.0,34.84,2.0,0.0,0.0
8435,Strontium chloride Sr-89,liquid,V10BX,V10B,V10,V,159.81,0.61,51.8,-0.49,1.0,-7.0,5.62,0.0,0.0,0.0,0.0,,0.0,158.8451583,0.0,2.39,0.0,-1.0,1.0
8437,Ferric ammonium citrate,,V08CA,V08C,V08,V,264.997,-1.3,106.0,-0.26,1.0,3.05,35.62,0.0,4.0,5.0,132.13,-4.2,0.0,264.986842,0.0,15.51,7.0,-3.0,1.0
8438,Fludeoxyglucose (18F),,V09IX,V09I,V09,V,181.15,-2.7,139.0,-0.12,1.0,10.32,35.65,0.0,4.0,5.0,97.99,-3.0,0.0,181.061586121,0.0,15.54,5.0,0.0,1.0
8441,Urea C-13,,V04CX,V04C,V04,V,61.048,-1.4,412.0,0.84,1.0,15.73,13.14,0.0,2.0,0.0,69.11,-2.4,0.0,61.035717592,0.0,5.1,1.0,0.0,1.0
8445,Mequinol,,D11AX,D11A,D11,D,124.1372,1.51,36.1,-0.54,1.0,9.94,34.5,1.0,1.0,1.0,29.46,-4.8,0.0,124.0524295,0.0,12.76,2.0,0.0,1.0
8447,Hydroquinone,,D11AX,D11A,D11,D,110.1106,1.37,95.5,-0.06,1.0,9.68,30.02,1.0,2.0,0.0,40.46,-5.9,0.0,110.036779436,0.0,10.75,2.0,0.0,1.0
8463,Sodium glycerophosphate,solid,B05XA,B05X,B05,B,216.036,-2.0,81.5,-0.42,1.0,1.51,29.15,0.0,2.0,4.0,112.88,-3.0,0.0,215.9775635,0.0,12.87,5.0,-2.0,1.0
8468,Ixazomib,solid,L01XG,L01X,L01,L,361.03,2.57,0.0124,-4.5,1.0,8.64,84.56,1.0,4.0,7.0,98.66,-1.8,1.0,360.081492,0.0,36.3,4.0,0.0,1.0
9201,Phenyl salicylate,solid,G04BX,G04B,G04,G,214.2167,3.98,0.216,-3.0,1.0,9.67,59.84,2.0,1.0,3.0,46.53,-4.3,1.0,214.062994186,0.0,21.96,2.0,0.0,1.0
9211,Resorcinol,,D10AX,D10A,D10,D,110.1106,1.37,82.3,-0.13,1.0,9.26,30.02,1.0,2.0,0.0,40.46,-5.7,0.0,110.036779436,0.0,10.75,2.0,0.0,1.0
9219,Calcium citrate,solid,A12AA,A12A,A12,A,498.432,-1.3,4.12,-2.1,1.0,3.05,68.14,0.0,1.0,10.0,140.62,-4.2,0.0,497.8948277,0.0,14.23,7.0,-3.0,1.0
9224,Potassium bicarbonate,solid,A12BA,A12B,A12,A,100.1151,0.25,681.0,0.83,1.0,3.5,20.34,0.0,1.0,0.0,60.36,,0.0,99.956275759,0.0,3.86,3.0,-1.0,1.0
9233,Magnesium citrate,solid,B05CB,B05C,B05,B,451.113,-1.3,6.34,-1.8,1.0,3.05,68.14,0.0,1.0,10.0,140.62,-4.2,0.0,449.9621801,0.0,14.25,7.0,-3.0,1.0
9240,Undecylenic acid,solid,D01AE,D01A,D01,D,184.2753,3.73,0.0189,-4.0,1.0,5.02,54.12,0.0,1.0,9.0,37.3,,1.0,184.146329884,0.0,22.78,2.0,-1.0,1.0
9244,Chloroxylenol,liquid,D08AE,D08A,D08,D,156.61,3.3,0.855,-2.3,1.0,9.21,42.93,1.0,1.0,0.0,20.23,-6.3,0.0,156.0341926,0.0,16.04,1.0,0.0,1.0
9245,Hypochlorite,liquid,D08AX,D08A,D08,D,51.452,0.32,378.0,0.74,1.0,7.93,7.58,0.0,0.0,0.0,23.06,-5.9,0.0,50.963767329,0.0,3.15,1.0,0.0,1.0
9247,Benzethonium,solid,D08AJ,D08A,D08,D,412.637,2.37,7.49e-06,-7.8,1.0,17.31,139.0,2.0,0.0,12.0,18.46,-4.1,0.0,412.321006017,0.0,50.78,2.0,1.0,1.0
9248,Calcium gluconate,,A12AA,A12A,A12,A,430.372,-3.4,44.2,-0.99,1.0,3.39,49.11,0.0,5.0,10.0,141.28,-3.0,0.0,430.0635463,0.0,16.62,7.0,-1.0,1.0
9265,Oxyquinoline,solid,R02AA,R02A,R02,R,145.158,1.83,4.18,-1.5,1.0,9.36,41.96,2.0,1.0,0.0,33.12,4.83,0.0,145.052763851,0.0,14.87,2.0,0.0,1.0
9275,Pyrantel,solid,P02CC,P02C,P02,P,206.31,1.96,0.118,-3.2,1.0,,61.81,2.0,0.0,2.0,15.6,10.71,1.0,206.087769633,0.0,23.32,2.0,1.0,1.0
9276,Anthralin,solid,D05AC,D05A,D05,D,226.231,4.24,0.184,-3.1,1.0,8.47,64.27,3.0,2.0,0.0,57.53,-5.6,1.0,226.062994182,0.0,23.12,3.0,0.0,1.0
9294,Homatropine,solid,S01FA,S01F,S01,S,275.348,1.59,5.57,-1.7,1.0,11.99,75.81,3.0,1.0,4.0,49.77,9.38,1.0,275.15214354,0.0,29.79,3.0,1.0,1.0
9295,Rose bengal,solid,S01JA,S01J,S01,S,973.673,8.78,0.000681,-6.2,0.0,2.55,176.05,4.0,2.0,1.0,83.83,1.89,0.0,971.499157746,0.0,63.8,5.0,-2.0,0.0
9299,Pentoxyverine,solid,R05DB,R05D,R05,R,333.472,3.97,0.0231,-4.2,1.0,,97.17,2.0,0.0,11.0,38.77,9.41,1.0,333.230393862,0.0,39.25,3.0,1.0,1.0
9303,Pantethine,,A11HA,A11H,A11,A,554.721,-3.4,0.117,-3.7,0.0,12.38,139.83,0.0,8.0,19.0,197.32,-2.8,0.0,554.24440572,0.0,59.42,8.0,0.0,0.0
9341,Thonzylamine,solid,D04AA,D04A,D04,D,286.379,2.42,0.733,-2.6,1.0,,86.19,2.0,0.0,7.0,41.49,8.62,1.0,286.179361344,0.0,32.42,5.0,1.0,1.0
9351,Zinc gluconate,solid,C05AX,C05A,C05,C,455.67,-3.4,40.0,-1.1,1.0,3.39,49.11,0.0,5.0,10.0,141.28,-3.0,0.0,454.030097,0.0,16.62,7.0,-1.0,1.0
9356,Hexylresorcinol,,R02AA,R02A,R02,R,194.2701,4.1,0.454,-2.6,1.0,9.55,58.07,1.0,2.0,5.0,40.46,-5.6,1.0,194.13067982,0.0,22.98,2.0,0.0,1.0
9408,Methscopolamine,,A03CB,A03C,A03,A,318.392,-3.3,0.0145,-4.4,1.0,15.15,95.63,4.0,1.0,5.0,59.06,-2.7,0.0,318.169984677,0.0,33.34,3.0,1.0,1.0
9434,Calcium Phosphate,solid,A12AA,A12A,A12,A,310.177,-1.0,48.8,-0.8,1.0,1.8,11.29,0.0,0.0,0.0,86.25,,0.0,309.794613465,0.0,4.93,4.0,-2.0,1.0
9445,Selexipag,solid,B01AC,B01A,B01,B,496.63,3.76,0.00434,-5.1,1.0,3.77,136.81,3.0,1.0,11.0,101.49,1.41,0.0,496.2144267,1.0,54.98,7.0,-1.0,1.0
9446,Alectinib,solid,L01ED,L01E,L01,L,482.6166,4.89,0.0105,-4.7,1.0,12.18,155.11,6.0,1.0,3.0,72.36,7.59,0.0,482.268176352,0.0,56.56,5.0,1.0,1.0
9447,Pidotimod,solid,L03AX,L03A,L03,L,244.27,-1.3,19.5,-1.1,1.0,3.57,55.83,2.0,2.0,2.0,86.71,-2.2,0.0,244.051778048,0.0,22.47,4.0,-1.0,1.0
9448,Sennosides,solid,A06AB,A06A,A06,A,862.746,1.19,0.753,-3.1,0.0,3.23,205.44,8.0,12.0,9.0,347.96,-4.0,0.0,862.195643624,1.0,81.49,20.0,-2.0,0.0
9449,Roquinimex,solid,L03AX,L03A,L03,L,308.337,1.59,0.123,-3.4,1.0,6.03,87.75,3.0,1.0,2.0,60.85,-2.4,1.0,308.116092383,0.0,31.61,3.0,-1.0,1.0
9450,Cefroxadine,solid,J01DB,J01D,J01,J,365.4,-3.4,0.987,-2.6,1.0,3.28,94.51,3.0,3.0,5.0,121.96,7.6,0.0,365.104541898,0.0,36.5,6.0,0.0,1.0
9451,Chlorophetanol,solid,D01AE,D01A,D01,D,172.61,1.73,5.2,-1.5,1.0,15.1,43.62,1.0,1.0,3.0,29.46,-2.8,1.0,172.0291072,0.0,17.22,2.0,0.0,1.0
9453,Alfaxalone,,N01AX,N01A,N01,N,332.484,3.06,0.0242,-4.1,1.0,18.3,93.57,4.0,1.0,1.0,54.37,-1.4,1.0,332.23514489,0.0,38.64,3.0,0.0,1.0
9466,Chlorobutanol,solid,A04AD,A04A,A04,A,177.45,1.75,1.65,-2.0,1.0,12.59,37.27,0.0,1.0,1.0,20.23,-3.9,0.0,175.9562479,0.0,14.75,1.0,0.0,1.0
9474,Dichlorophen,,P02DX,P02D,P02,P,269.12,4.67,0.0309,-3.9,1.0,7.22,69.37,2.0,2.0,2.0,40.46,-6.3,1.0,268.005785,0.0,25.61,2.0,0.0,1.0
9485,Fenbendazole,,P02CA,P02C,P02,P,299.348,3.99,0.00609,-4.7,1.0,9.59,83.61,3.0,2.0,4.0,67.01,4.06,1.0,299.072847365,0.0,31.76,3.0,0.0,1.0
9503,Moxidectin,solid,P02CX,P02C,P02,P,639.83,5.67,0.0052,-5.1,0.0,12.55,179.22,5.0,2.0,3.0,116.04,2.81,0.0,639.377117671,0.0,71.02,8.0,0.0,0.0
9512,Oleandomycin,,J01RA,J01R,J01,J,687.868,2.98,0.407,-3.2,0.0,12.67,173.69,4.0,3.0,6.0,162.68,9.0,0.0,687.419376408,1.0,73.87,12.0,1.0,0.0
9539,Metrifonate,,P02BB,P02B,P02,P,257.437,1.14,7.17,-1.6,1.0,10.12,47.59,0.0,1.0,4.0,55.76,-4.9,1.0,255.922578377,0.0,19.33,2.0,0.0,1.0
9542,Virginiamycin,,D06AX,D06A,D06,D,1349.506,1.85,0.139,-3.8,0.0,7.53,213.24,9.0,4.0,7.0,224.72,2.57,0.0,1348.601591285,1.0,83.46,10.0,0.0,0.0
9551,Nalorphine,solid,V03AB,V03A,V03,V,311.381,1.68,1.36,-2.4,1.0,10.2,89.29,5.0,2.0,2.0,52.93,8.81,1.0,311.15214354,0.0,33.3,4.0,1.0,1.0
9566,Dihydrostreptomycin,,S01AA,S01A,S01,S,583.596,-7.3,16.0,-1.6,0.0,12.11,150.45,3.0,15.0,9.0,334.59,11.31,0.0,583.281319788,1.0,56.66,19.0,3.0,0.0
9576,Masitinib,,L01EX,L01E,L01,L,498.65,4.97,0.00289,-5.2,1.0,15.12,147.0,5.0,2.0,7.0,73.39,7.84,0.0,498.220180784,1.0,55.33,6.0,1.0,1.0
9598,Lesinurad,solid,M04AB,M04A,M04,M,404.28,4.09,0.00779,-4.7,1.0,3.13,109.15,4.0,1.0,4.0,68.01,-0.05,1.0,402.999011,0.0,36.59,4.0,-1.0,1.0
9599,Aminacrine,solid,D08AA,D08A,D08,D,194.237,2.68,0.0755,-3.4,1.0,,60.76,3.0,1.0,0.0,38.91,9.29,1.0,194.08439833,0.0,21.31,2.0,1.0,1.0
9609,Aluminum chlorohydrate,liquid,D09AA,D09A,D09,D,192.46,-0.65,451.0,0.67,1.0,15.7,3.7,0.0,1.0,0.0,25.3,-1.8,0.0,191.9561926,0.0,1.51,1.0,0.0,1.0
9610,Elbasvir,solid,J05AP,J05A,J05,J,882.035,6.14,0.00457,-5.3,0.0,11.11,241.52,9.0,4.0,13.0,188.8,6.06,0.0,881.422445147,1.0,100.15,7.0,0.0,0.0
9611,Grazoprevir,solid,J05AP,J05A,J05,J,766.903,3.35,0.0108,-4.8,1.0,3.77,193.61,7.0,3.0,7.0,195.22,1.79,0.0,766.335997918,1.0,79.37,10.0,-1.0,0.0
9613,Indigotindisulfonic acid,solid,V04CH,V04C,V04,V,422.389,1.01,0.0996,-3.6,1.0,-2.8,101.29,4.0,4.0,2.0,166.94,-7.7,1.0,421.987856686,0.0,39.65,10.0,-2.0,1.0
9617,Venetoclax,solid,L01XX,L01X,L01,L,868.45,6.76,0.000933,-6.0,0.0,4.19,238.59,8.0,3.0,12.0,172.03,7.96,0.0,867.3180959,1.0,93.95,10.0,0.0,0.0
9618,Thiocolchicoside,solid,M03BX,M03B,M03,M,563.62,-0.16,0.348,-3.2,1.0,12.2,145.06,4.0,5.0,7.0,164.01,-1.2,0.0,563.182517441,1.0,57.72,10.0,0.0,0.0
9620,Pipradrol,solid,N06BX,N06B,N06,N,267.372,3.32,0.0306,-3.9,1.0,12.88,81.78,3.0,2.0,3.0,32.26,9.53,1.0,267.1623143,0.0,30.59,2.0,1.0,1.0
9622,Asunaprevir,solid,J05AP,J05A,J05,J,748.286,3.37,0.00299,-5.4,0.0,3.77,186.82,5.0,3.0,13.0,182.33,1.85,0.0,747.270476492,1.0,76.14,9.0,-1.0,0.0
9626,Thimerosal,solid,D08AK,D08A,D08,D,404.81,2.35,6.17,-1.8,1.0,3.62,59.82,1.0,0.0,4.0,40.13,,1.0,405.992720501,0.0,20.6,2.0,-1.0,1.0
9627,Bilastine,solid,S01GX,S01G,S01,S,463.622,2.41,0.00203,-5.4,1.0,4.06,135.58,4.0,1.0,10.0,67.59,9.43,0.0,463.283492063,1.0,54.96,5.0,0.0,1.0
9630,Domiphen,solid,A01AB,A01A,A01,A,334.567,2.55,4.8e-06,-7.9,1.0,,117.14,1.0,0.0,15.0,9.23,-4.9,1.0,334.310441332,0.0,44.63,1.0,1.0,1.0
9632,Levoleucovorin,solid,V03AF,V03A,V03,V,473.4393,-3.8,0.3,-3.2,0.0,3.21,126.46,3.0,7.0,9.0,215.55,4.66,0.0,473.165896125,1.0,44.58,12.0,-2.0,0.0
9645,Normethadone,solid,R05DA,R05D,R05,R,295.426,4.59,0.00737,-4.6,1.0,18.8,92.85,2.0,0.0,7.0,20.31,8.83,1.0,295.193614429,0.0,34.67,2.0,1.0,1.0
9647,Lifitegrast,solid,S01XA,S01X,S01,S,615.48,4.02,0.00571,-5.0,1.0,3.27,154.48,5.0,2.0,7.0,133.99,-1.3,0.0,614.0681277,1.0,59.49,6.0,-1.0,0.0
9648,Velpatasvir,solid,J05AP,J05A,J05,J,883.019,5.11,0.00585,-5.2,0.0,11.14,240.57,9.0,4.0,13.0,193.1,5.97,0.0,882.406460731,1.0,97.05,8.0,0.0,0.0
9649,Rupatadine,solid,R06AX,R06A,R06,R,415.97,5.37,0.00544,-4.9,1.0,,133.83,5.0,0.0,2.0,29.02,7.19,0.0,415.1815255,0.0,46.98,3.0,1.0,0.0
9650,Pirarubicin,solid,L01DB,L01D,L01,L,627.643,2.05,0.301,-3.3,0.0,7.99,157.38,6.0,5.0,7.0,204.3,9.09,0.0,627.231575635,1.0,64.85,13.0,1.0,0.0
9651,Aclarubicin,solid,L01DB,L01D,L01,L,811.878,3.98,0.218,-3.6,0.0,7.47,203.87,7.0,4.0,10.0,217.05,8.64,0.0,811.341520011,1.0,84.31,15.0,1.0,0.0
9652,Zorubicin,solid,L01DB,L01D,L01,L,645.665,2.66,0.0583,-4.0,0.0,8.2,168.48,6.0,6.0,6.0,210.23,9.49,0.0,645.232244339,1.0,65.84,12.0,1.0,0.0
9653,Gestrinone,solid,G03XA,G03X,G03,G,308.4141,2.85,0.00969,-4.5,1.0,17.88,93.73,4.0,1.0,1.0,37.3,-1.5,1.0,308.177630012,0.0,35.55,2.0,0.0,1.0
9667,Isavuconazole,,J02AC,J02A,J02,J,437.47,4.14,0.0162,-4.4,1.0,12.59,123.94,4.0,1.0,6.0,87.62,2.32,1.0,437.112187687,1.0,42.74,5.0,0.0,1.0
9670,Nomegestrol,,G03AA,G03A,G03,G,328.452,2.98,0.0122,-4.4,1.0,12.7,95.03,4.0,1.0,1.0,54.37,-3.8,1.0,328.203844762,0.0,37.69,3.0,0.0,1.0
9671,Delamanid,solid,J04AK,J04A,J04,J,534.492,6.14,0.00222,-5.4,0.0,,124.85,5.0,0.0,9.0,101.12,5.51,0.0,534.17261903,1.0,51.59,8.0,0.0,0.0
9672,Artenimol,solid,P01BF,P01B,P01,P,284.352,2.84,3.16,-2.0,1.0,12.11,69.91,4.0,1.0,0.0,57.15,-4.1,1.0,284.162373873,0.0,30.2,5.0,0.0,1.0
9674,Amifampridine,solid,N07XX,N07X,N07,N,109.132,-0.9,159.0,0.16,1.0,,33.3,1.0,2.0,0.0,64.93,9.25,0.0,109.063997237,0.0,10.94,3.0,1.0,1.0
9675,Vinflunine,solid,L01CA,L01C,L01,L,816.944,4.65,0.00564,-5.2,1.0,10.87,216.53,9.0,2.0,10.0,133.87,8.66,0.0,816.390971041,1.0,85.68,8.0,2.0,0.0
9676,Pitolisant,solid,N07XX,N07X,N07,N,295.85,4.12,0.00142,-5.3,1.0,,86.81,2.0,0.0,8.0,12.47,9.67,1.0,295.1702922,0.0,35.5,2.0,1.0,1.0
9678,Tafamidis,solid,N07XX,N07X,N07,N,308.116,4.21,0.0323,-4.0,1.0,3.6,84.69,3.0,1.0,2.0,63.33,-0.4,1.0,306.980298509,0.0,29.74,3.0,-1.0,1.0
9686,Tucatinib,solid,L01EH,L01E,L01,L,480.532,5.25,0.004,-5.1,1.0,17.08,148.37,6.0,2.0,5.0,110.85,4.57,0.0,480.202222045,0.0,50.76,8.0,0.0,0.0
9690,Rebamipide,,A02BX,A02B,A02,A,370.79,2.76,0.0103,-4.6,1.0,3.52,98.5,3.0,3.0,5.0,95.5,-1.1,1.0,370.0720347,0.0,36.82,4.0,-1.0,1.0
9694,Latanoprostene bunod,liquid,S01EE,S01E,S01,S,507.624,3.79,0.0032,-5.2,0.0,14.47,136.66,2.0,3.0,19.0,139.36,-2.7,0.0,507.283217284,0.0,56.95,7.0,0.0,0.0
9709,Mosapride,,A03FA,A03F,A03,A,421.9,2.75,0.0218,-4.3,1.0,14.46,112.34,3.0,2.0,7.0,76.82,5.98,1.0,421.1568475,1.0,43.79,5.0,0.0,1.0
9711,Triheptanoin,liquid,A16AX,A16A,A16,A,428.61,6.92,0.000415,-6.0,0.0,,117.06,0.0,0.0,23.0,78.9,-6.6,0.0,428.313789137,0.0,52.67,3.0,0.0,0.0
9712,Treosulfan,,L01AB,L01A,L01,L,278.29,-2.6,17.0,-1.2,1.0,12.99,51.98,0.0,2.0,7.0,127.2,-3.5,0.0,278.013009759,0.0,24.93,6.0,0.0,1.0
9716,Daprodustat,,B03XA,B03X,B03,B,393.44,1.4,0.345,-3.1,1.0,0.35,96.89,3.0,2.0,5.0,124.09,-9.1,1.0,393.189985601,0.0,40.18,6.0,-2.0,1.0
9723,Selumetinib,,L01EE,L01E,L01,L,457.68,4.27,0.021,-4.3,1.0,10.26,102.61,3.0,3.0,6.0,88.41,5.07,1.0,456.000009,1.0,40.61,5.0,0.0,1.0
9725,Naldemedine,,A06AH,A06A,A06,A,570.646,2.43,0.227,-3.4,1.0,9.86,165.78,8.0,4.0,6.0,141.18,9.05,0.0,570.247834831,1.0,61.34,8.0,1.0,0.0
9727,Voclosporin,solid,L04AD,L04A,L04,L,1214.646,3.78,0.1,,0.0,11.83,331.79,1.0,5.0,16.0,278.8,-2.4,0.0,1213.841368058,0.0,133.94,12.0,0.0,0.0
9730,Racecadotril,,A07XA,A07X,A07,A,385.48,3.17,0.00176,-5.3,1.0,12.6,106.0,2.0,1.0,11.0,72.47,-2.1,1.0,385.134779399,0.0,40.84,3.0,0.0,1.0
9731,Pacritinib,solid,L01EJ,L01E,L01,L,472.589,4.58,0.0381,-4.1,1.0,14.1,139.43,5.0,1.0,4.0,68.74,8.86,0.0,472.247440906,0.0,52.32,7.0,1.0,1.0
9732,Ipragliflozin,,A10BK,A10B,A10,A,404.45,2.46,0.0299,-4.1,1.0,12.57,102.41,4.0,4.0,4.0,90.15,-3.0,1.0,404.109373113,0.0,40.7,5.0,0.0,1.0
9733,Tropisetron,,A04AA,A04A,A04,A,284.3529,2.63,1.33,-2.3,1.0,12.18,81.5,4.0,1.0,3.0,45.33,9.34,1.0,284.152477894,0.0,31.35,2.0,1.0,1.0
9734,Setmelanotide,liquid,A08AA,A08A,A08,A,1117.32,-5.3,0.0286,-4.6,0.0,11.48,290.87,5.0,15.0,18.0,449.16,11.0,0.0,1116.48580819,1.0,113.93,16.0,2.0,0.0
9735,Amenamevir,,J05AX,J05A,J05,J,482.56,2.61,0.123,-3.6,1.0,12.19,140.61,4.0,1.0,6.0,122.47,-2.0,0.0,482.162391127,1.0,49.34,6.0,0.0,1.0
9737,Acalabrutinib,solid,L01EL,L01E,L01,L,465.517,2.56,0.0109,-4.6,1.0,12.34,135.72,5.0,2.0,5.0,118.51,5.0,0.0,465.191323009,0.0,51.0,6.0,0.0,1.0
9739,Iomeprol,,V08AB,V08A,V08,V,777.089,-1.4,0.595,-3.1,0.0,11.73,138.29,1.0,7.0,10.0,179.66,-3.0,0.0,776.8541,0.0,55.44,8.0,0.0,0.0
9742,Peficitinib,,L04AA,L04A,L04,L,326.4,1.06,0.159,-3.3,1.0,13.85,91.34,5.0,4.0,3.0,104.03,5.7,1.0,326.174275964,0.0,49.65,4.0,0.0,1.0
9746,Tezacaftor,solid,R07AX,R07A,R07,R,520.505,4.03,0.0124,-4.6,1.0,11.54,125.53,5.0,4.0,8.0,113.18,-2.8,0.0,520.182121086,1.0,51.79,6.0,0.0,0.0
9751,Epacadostat,,L01XX,L01X,L01,L,438.23,0.089,0.419,-3.0,1.0,5.6,93.53,2.0,5.0,6.0,167.76,-1.4,1.0,436.991714,0.0,35.25,9.0,-1.0,1.0
9752,Encorafenib,solid,L01EC,L01E,L01,L,540.01,2.65,0.0112,-4.7,1.0,8.45,145.6,3.0,3.0,9.0,140.13,3.08,0.0,539.1517794,1.0,54.11,7.0,0.0,0.0
9762,Ribociclib,,L01EF,L01E,L01,L,434.548,2.38,0.231,-3.3,1.0,11.59,125.59,5.0,2.0,5.0,91.21,8.87,1.0,434.254257618,0.0,49.13,7.0,1.0,1.0
9764,Lasmiditan,solid,N02CC,N02C,N02,N,377.367,3.3,0.0175,-4.3,1.0,12.23,96.15,3.0,1.0,4.0,62.3,7.99,1.0,377.135111321,0.0,35.61,4.0,1.0,1.0
9766,Galactose,,V08DA,V08D,V08,V,180.1559,-3.6,261.0,0.16,1.0,12.26,37.35,0.0,5.0,5.0,118.22,-3.0,0.0,180.063388116,0.0,16.13,6.0,0.0,1.0
9768,Icotinib,,L01EB,L01E,L01,L,391.427,3.03,0.0126,-4.5,1.0,16.14,105.82,4.0,1.0,2.0,74.73,4.62,1.0,391.153206168,0.0,42.08,7.0,0.0,1.0
9770,Vonoprazan,solid,A02BD,A02B,A02,A,345.39,2.03,0.049,-3.8,1.0,,90.16,3.0,1.0,4.0,63.99,9.01,1.0,345.094726104,0.0,34.23,4.0,1.0,1.0
9773,Ebastine,,R06AX,R06A,R06,R,469.6576,6.96,6.47e-05,-6.9,1.0,16.45,145.38,4.0,0.0,10.0,29.54,8.43,0.0,469.298079497,1.0,55.41,3.0,1.0,0.0
9779,Benfotiamine,,A11DA,A11D,A11,A,466.45,-2.2,0.04,-4.1,1.0,0.71,121.54,2.0,3.0,10.0,155.94,7.37,0.0,466.107592649,0.0,43.14,8.0,-1.0,1.0
9781,Clobetasol,,D07AD,D07A,D07,D,410.907,3.04,0.0142,-4.5,1.0,12.47,105.54,4.0,2.0,2.0,74.6,-3.4,1.0,410.166015296,0.0,41.95,4.0,0.0,1.0
9784,Rifamycin,solid,S01AA,S01A,S01,S,697.778,4.17,0.0147,-4.7,0.0,7.09,187.8,4.0,6.0,3.0,201.31,-1.1,0.0,697.309825957,0.0,72.6,11.0,-1.0,0.0
9788,Istradefylline,solid,N04CX,N04C,N04,N,384.436,2.42,0.182,-3.3,1.0,,107.11,3.0,0.0,6.0,76.9,-1.4,1.0,384.179755269,1.0,42.28,5.0,0.0,1.0
9791,Talazoparib,solid,L01XK,L01X,L01,L,380.359,2.11,0.101,-3.6,1.0,9.48,111.27,5.0,2.0,2.0,84.2,1.66,1.0,380.119715421,0.0,35.82,5.0,0.0,1.0
9792,Tenapanor,solid,A06AX,A06A,A06,A,1145.04,5.02,0.00292,-5.6,0.0,9.86,291.93,6.0,6.0,27.0,218.0,6.84,0.0,1142.3097435,1.0,120.95,12.0,1.0,0.0
9801,Talinolol,,C07AB,C07A,C07,C,363.4943,2.8,0.0451,-3.9,1.0,13.83,104.46,2.0,4.0,8.0,82.62,9.76,1.0,363.252191937,0.0,42.04,4.0,1.0,1.0
9805,Pazufloxacin,,J01MA,J01M,J01,J,318.304,-1.0,2.41,-2.1,1.0,5.59,80.03,4.0,2.0,2.0,92.86,8.16,0.0,318.101585134,0.0,30.76,6.0,0.0,1.0
9814,Imidapril,,C09AA,C09A,C09,C,405.4449,-0.23,0.447,-3.0,1.0,3.49,103.2,2.0,2.0,10.0,116.25,5.22,1.0,405.189985611,0.0,42.36,6.0,-1.0,1.0
9822,Capmatinib,solid,L01EX,L01E,L01,L,412.428,2.96,0.00529,-4.9,1.0,12.77,125.27,5.0,1.0,4.0,85.07,4.55,1.0,412.144787354,0.0,42.1,5.0,0.0,1.0
9824,Niraparib,solid,L01XK,L01X,L01,L,320.396,2.47,0.0149,-4.3,1.0,14.03,94.92,4.0,2.0,3.0,72.94,10.08,1.0,320.16371128,0.0,36.4,3.0,1.0,1.0
9827,Fostemsavir,solid,J05AX,J05A,J05,J,583.498,-0.13,0.431,-3.1,1.0,1.75,145.6,5.0,2.0,8.0,182.21,0.97,0.0,583.158047823,1.0,55.13,10.0,-2.0,0.0
9828,Aceneuramic acid,,M09AX,M09A,M09,M,309.2699,-4.0,35.9,-0.93,1.0,2.95,65.31,0.0,7.0,9.0,184.62,-1.3,0.0,309.105981211,0.0,28.42,9.0,-1.0,0.0
9830,Bictegravir,solid,J05AR,J05A,J05,J,449.386,1.36,0.0537,-3.9,1.0,9.81,105.44,5.0,2.0,3.0,99.18,-0.3,1.0,449.119855181,0.0,41.14,6.0,0.0,1.0
9831,Tivozanib,solid,L01EK,L01E,L01,L,454.863,4.22,0.0521,-3.9,1.0,8.27,120.85,4.0,2.0,6.0,107.74,5.89,1.0,454.104397445,1.0,44.26,5.0,0.0,1.0
9838,Faldaprevir,,J05AP,J05A,J05,J,869.821,6.51,0.00128,-5.8,0.0,3.39,212.25,6.0,4.0,15.0,198.38,1.11,0.0,868.246510533,1.0,86.94,10.0,-1.0,0.0
9847,Baricitinib,solid,L04AA,L04A,L04,L,371.42,-0.19,0.357,-3.0,1.0,13.89,105.55,4.0,1.0,4.0,120.56,3.91,1.0,371.116443989,0.0,36.72,6.0,0.0,1.0
9850,Nifurtimox,solid,P01CC,P01C,P01,P,287.29,-0.27,0.285,-3.0,1.0,,65.78,2.0,0.0,3.0,106.02,0.34,1.0,287.057591705,0.0,26.74,6.0,0.0,1.0
9853,Esketamine,solid,N06AX,N06A,N06,N,237.73,3.35,0.0464,-3.7,1.0,19.77,65.55,2.0,1.0,2.0,29.1,7.16,1.0,237.0920418,0.0,24.97,2.0,1.0,1.0
9855,Mirogabalin,,N02BG,N02B,N02,N,209.289,-1.3,1.53,-2.1,1.0,4.54,59.02,2.0,2.0,4.0,63.32,9.9,0.0,209.141578856,0.0,23.43,3.0,0.0,1.0
9857,Ertugliflozin,solid,A10BD,A10B,A10,A,436.89,2.32,0.119,-3.6,1.0,11.98,109.07,4.0,4.0,6.0,108.61,-3.1,1.0,436.1288808,1.0,44.95,7.0,0.0,1.0
9858,Neratinib,solid,L01EH,L01E,L01,L,557.05,4.47,0.00674,-4.9,0.0,12.55,157.29,4.0,2.0,11.0,112.4,8.81,0.0,556.1989665,1.0,58.1,8.0,1.0,0.0
9867,Osilodrostat,solid,H02CA,H02C,H02,H,227.242,2.11,0.356,-2.8,1.0,,62.07,3.0,0.0,1.0,41.61,7.15,1.0,227.085875497,0.0,22.53,2.0,1.0,1.0
9871,Entinostat,,L01XH,L01X,L01,L,376.416,2.31,0.00574,-4.8,1.0,13.54,108.29,3.0,3.0,7.0,106.34,4.74,1.0,376.15354052,1.0,39.39,4.0,0.0,1.0
9883,Relugolix,solid,H01CC,H01C,H01,H,623.64,3.94,0.00198,-5.5,1.0,9.07,160.92,5.0,2.0,9.0,129.23,7.69,0.0,623.176244497,1.0,62.44,8.0,1.0,0.0
9885,Revefenacin,solid,R03BB,R03B,R03,R,597.76,3.81,0.00721,-4.9,0.0,12.74,174.84,5.0,2.0,11.0,108.21,8.65,0.0,597.331504885,1.0,66.92,6.0,2.0,0.0
9906,Alanyl glutamine,,B05XB,B05X,B05,B,217.225,-4.5,12.7,-1.2,1.0,3.57,50.41,0.0,4.0,6.0,135.51,8.39,0.0,217.106255975,0.0,20.97,5.0,0.0,1.0
9916,Infigratinib,solid,L01EN,L01E,L01,L,560.475,4.78,0.0299,-4.3,1.0,9.98,152.71,4.0,2.0,8.0,95.09,8.23,0.0,559.186543307,1.0,58.51,8.0,1.0,0.0
9921,Prulifloxacin,,J01MA,J01M,J01,J,461.46,2.49,0.593,-2.9,1.0,6.03,127.37,5.0,1.0,4.0,99.62,5.16,1.0,461.105684713,0.0,44.94,8.0,-1.0,1.0
9929,Apalutamide,solid,L02BB,L02B,L02,L,477.44,3.46,0.00178,-5.4,1.0,13.05,113.6,4.0,1.0,4.0,89.33,-0.75,1.0,477.088258569,0.0,43.44,4.0,0.0,1.0
9935,Rociletinib,,L01EB,L01E,L01,L,555.562,4.1,0.0162,-4.5,1.0,13.63,146.65,4.0,3.0,9.0,111.72,3.62,0.0,555.220572279,1.0,54.66,8.0,0.0,0.0
9942,Valbenazine,solid,N07XX,N07X,N07,N,418.578,3.65,0.0383,-4.0,1.0,,118.4,3.0,1.0,8.0,74.02,8.41,1.0,418.283157712,1.0,48.97,5.0,2.0,1.0
9948,Deflazacort,solid,H02AB,H02A,H02,H,441.524,1.8,0.0175,-4.4,1.0,14.74,117.12,5.0,1.0,4.0,102.26,0.48,1.0,441.215137722,0.0,46.79,5.0,0.0,1.0
9958,Abametapir,solid,P03AX,P03A,P03,P,184.242,2.98,0.98,-2.3,1.0,,56.22,2.0,0.0,1.0,25.78,3.8,1.0,184.100048394,0.0,21.31,2.0,0.0,1.0
9961,Flomoxef,,J01DC,J01D,J01,J,496.46,-0.11,1.22,-2.6,1.0,3.28,119.66,3.0,3.0,11.0,169.0,-1.5,0.0,496.064645618,1.0,43.37,10.0,-1.0,1.0
9962,Bempedoic acid,solid,C10AX,C10A,C10,C,344.492,5.3,0.0211,-4.2,0.0,4.44,93.97,0.0,3.0,14.0,94.83,-1.3,1.0,344.256274259,0.0,41.08,5.0,-2.0,0.0
9964,Difelikefalin,solid,V03AX,V03A,V03,V,679.863,-1.7,0.0103,-4.8,0.0,1.92,185.74,3.0,7.0,18.0,222.97,10.26,0.0,679.405732455,1.0,74.6,9.0,2.0,0.0
9968,Selinexor,solid,L01XX,L01X,L01,L,443.313,3.07,0.00555,-4.9,1.0,12.18,120.0,3.0,2.0,7.0,97.62,1.34,1.0,443.09292698,1.0,35.61,6.0,0.0,1.0
9969,Delafloxacin,solid,J01MA,J01M,J01,J,440.76,2.56,0.0699,-3.8,1.0,5.62,101.33,4.0,3.0,3.0,119.99,-1.3,1.0,440.0499171,0.0,38.42,8.0,-1.0,1.0
9977,Lemborexant,solid,N05CM,N05C,N05,N,410.425,3.34,0.0111,-4.6,1.0,12.12,107.94,4.0,1.0,6.0,77.0,3.15,1.0,410.155432226,1.0,40.54,5.0,0.0,1.0
9978,Duvelisib,solid,L01EM,L01E,L01,L,416.87,3.67,0.0195,-4.3,1.0,9.86,118.53,5.0,2.0,4.0,86.8,3.99,1.0,416.1152369,0.0,42.2,5.0,0.0,1.0
9989,Dacomitinib,solid,L01EB,L01E,L01,L,469.939,4.71,0.00874,-4.7,1.0,12.5,129.91,4.0,2.0,7.0,79.38,8.55,1.0,469.168080981,1.0,49.06,6.0,1.0,1.0
9993,Binimetinib,solid,L01EE,L01E,L01,L,441.233,3.81,0.0499,-4.0,1.0,10.26,98.02,3.0,3.0,6.0,88.41,5.3,1.0,440.02956,1.0,38.55,5.0,0.0,1.0
10004,Glasdegib,solid,L01XJ,L01X,L01,L,374.448,2.28,0.0469,-3.9,1.0,11.39,108.26,4.0,3.0,3.0,96.84,6.67,1.0,374.185509352,0.0,40.73,4.0,0.0,1.0
10005,Elagolix,solid,H01CC,H01C,H01,H,631.6,3.14,0.00243,-5.4,0.0,3.86,156.06,4.0,2.0,12.0,99.18,9.04,0.0,631.210561893,1.0,59.44,6.0,0.0,0.0
10012,Entrectinib,solid,L01EX,L01E,L01,L,560.65,5.4,0.0089,-4.8,0.0,12.39,161.24,6.0,3.0,7.0,85.52,7.78,0.0,560.271130685,1.0,60.41,6.0,1.0,0.0
10015,Benznidazole,,P01CA,P01C,P01,P,260.253,1.32,0.383,-2.8,1.0,13.68,67.12,2.0,1.0,5.0,90.06,0.2,1.0,260.090940262,0.0,24.96,4.0,0.0,1.0
10020,Diacerein,,M01AX,M01A,M01,M,368.297,1.79,0.0407,-4.0,1.0,3.37,90.67,3.0,1.0,5.0,124.04,-6.8,1.0,368.053217346,0.0,35.37,6.0,-1.0,1.0
10021,Avatrombopag,solid,B02BX,B02B,B02,B,649.65,4.17,0.00465,-5.2,1.0,3.5,169.16,6.0,2.0,7.0,101.9,8.4,0.0,648.1510867,1.0,69.95,8.0,0.0,0.0
10022,Thymopentin,,L03AX,L03A,L03,L,679.776,-6.3,0.0662,-4.0,0.0,3.2,171.76,1.0,11.0,22.0,327.67,11.29,0.0,679.365324194,0.0,70.84,14.0,1.0,0.0
10025,Vosaroxin,,L01XX,L01X,L01,L,401.44,-0.42,0.128,-3.5,1.0,5.06,103.0,4.0,2.0,5.0,107.89,8.8,0.0,401.115775286,0.0,41.3,9.0,0.0,1.0
10027,Abemaciclib,,L01EF,L01E,L01,L,506.606,4.42,0.0159,-4.5,1.0,10.27,141.26,5.0,1.0,7.0,75.0,7.94,0.0,506.271799388,1.0,54.75,7.0,1.0,0.0
10036,Fostamatinib,,B02BX,B02B,B02,B,580.4595,1.46,0.052,-4.0,0.0,1.46,137.1,4.0,4.0,10.0,186.72,2.71,0.0,580.148291177,1.0,54.48,13.0,-2.0,0.0
10041,Alpelisib,solid,L01EM,L01E,L01,L,441.47,2.81,0.00528,-4.9,1.0,7.79,105.85,3.0,2.0,5.0,101.21,2.81,1.0,441.144630278,0.0,42.75,4.0,0.0,1.0
10042,Ponesimod,solid,L04AA,L04A,L04,L,460.97,4.49,0.00626,-4.9,1.0,13.62,125.69,3.0,2.0,8.0,82.36,0.91,1.0,460.1223562,1.0,49.67,5.0,0.0,1.0
10046,Tecovirimat,solid,J05AX,J05A,J05,J,376.335,2.07,0.021,-4.2,1.0,9.15,89.45,5.0,1.0,3.0,66.48,-6.2,1.0,376.10347684,0.0,34.02,3.0,0.0,1.0
10052,Voxilaprevir,,J05AP,J05A,J05,J,868.94,4.9,0.0506,-4.2,1.0,3.74,203.02,7.0,3.0,8.0,195.22,-0.84,0.0,868.345261104,1.0,85.37,10.0,-1.0,0.0
10060,Sarecycline,solid,J01AA,J01A,J01,J,487.509,-3.1,2.01,-2.4,1.0,3.31,127.61,4.0,5.0,5.0,173.86,8.69,0.0,487.195464906,0.0,49.31,10.0,0.0,1.0
10095,Letermovir,solid,J05AX,J05A,J05,J,572.561,4.64,0.01,-4.8,1.0,3.75,147.44,5.0,1.0,7.0,77.84,7.15,0.0,572.20466805,1.0,55.0,8.0,0.0,0.0
10106,Anecortave,,S01LA,S01L,S01,S,344.451,2.18,0.0334,-4.0,1.0,12.58,96.66,4.0,2.0,2.0,74.6,-3.3,1.0,344.198759382,0.0,38.24,4.0,0.0,1.0
10111,Oxitropium,,R03BB,R03B,R03,R,332.419,-2.9,0.00635,-4.8,1.0,15.15,100.38,4.0,1.0,6.0,59.06,-2.7,0.0,332.185634741,1.0,35.3,3.0,1.0,1.0
10131,Vaborbactam,solid,J01DH,J01D,J01,J,297.13,1.86,0.155,-3.3,1.0,3.75,67.14,2.0,3.0,5.0,95.86,-2.6,1.0,297.084224,0.0,29.67,5.0,-1.0,1.0
10151,Sultamicillin,,J01CR,J01C,J01,J,594.65,-0.4,0.283,-3.3,1.0,11.71,138.12,5.0,2.0,9.0,182.48,7.23,0.0,594.14542091,1.0,58.76,8.0,1.0,0.0
10154,Lorlatinib,solid,L01ED,L01E,L01,L,406.421,1.63,0.108,-3.6,1.0,19.7,121.17,4.0,1.0,0.0,110.06,5.71,1.0,406.155352039,0.0,40.42,6.0,0.0,1.0
10165,Gilteritinib,solid,L01EX,L01E,L01,L,552.724,2.79,0.0223,-4.4,1.0,14.21,159.84,5.0,3.0,9.0,121.11,8.47,0.0,552.353637309,1.0,62.92,10.0,1.0,0.0
10171,Erdafitinib,solid,L01EN,L01E,L01,L,446.555,3.52,0.013,-4.5,1.0,,139.32,4.0,1.0,9.0,77.33,9.72,0.0,446.24302423,1.0,51.0,7.0,1.0,1.0
10175,Brincidofovir,solid,J05AB,J05A,J05,J,561.701,4.42,0.00124,-5.6,0.0,1.32,149.9,1.0,3.0,26.0,143.91,4.66,0.0,561.354288024,0.0,65.31,8.0,-1.0,0.0
10177,Citicoline,,N06BX,N06B,N06,N,488.324,-7.1,7.99,-1.8,1.0,1.84,113.58,2.0,4.0,10.0,213.5,-2.6,0.0,488.107330718,0.0,42.54,10.0,-1.0,1.0
10178,Itacitinib,,L04AA,L04A,L04,L,553.526,1.88,0.0232,-4.4,1.0,13.89,146.86,6.0,1.0,6.0,119.62,6.68,0.0,553.196169049,1.0,51.98,7.0,0.0,0.0
10185,Deutetrabenazine,solid,N07XX,N07X,N07,N,323.466,3.4,0.361,-2.9,1.0,18.26,91.31,3.0,0.0,4.0,38.77,7.33,1.0,323.236754209,0.0,36.83,4.0,1.0,1.0
10211,Faropenem,,J01DI,J01D,J01,J,285.316,-0.75,14.7,-1.3,1.0,3.97,69.26,3.0,2.0,3.0,87.07,-2.8,0.0,285.067093285,0.0,28.16,5.0,-1.0,1.0
10233,Landiolol,,C07AB,C07A,C07,C,509.6,0.35,0.334,-3.2,0.0,14.04,131.29,3.0,3.0,14.0,127.82,8.79,0.0,509.273715228,1.0,56.5,8.0,1.0,0.0
10235,Luseogliflozin,,A10BK,A10B,A10,A,434.55,2.28,0.0513,-3.9,1.0,12.85,117.91,3.0,4.0,7.0,99.38,-2.8,1.0,434.17630986,1.0,47.57,6.0,0.0,1.0
10244,Beclabuvir,,J05AP,J05A,J05,J,659.838,2.64,0.00424,-5.2,1.0,4.17,181.71,8.0,1.0,4.0,104.19,7.29,0.0,659.314140265,0.0,73.22,7.0,0.0,0.0
10254,Estetrol,solid,G03AA,G03A,G03,G,304.3808,1.67,,,1.0,10.33,82.55,4.0,4.0,0.0,80.92,-3.3,1.0,304.167459256,0.0,33.88,4.0,0.0,1.0
10262,Edaravone,solid,N07XX,N07X,N07,N,174.203,1.53,0.939,-2.3,1.0,13.45,49.49,2.0,0.0,1.0,32.67,-1.5,1.0,174.07931295,0.0,18.61,2.0,0.0,1.0
10264,Triclabendazole,solid,P02BX,P02B,P02,P,359.65,5.88,0.000508,-5.8,1.0,10.46,87.86,3.0,1.0,3.0,37.91,4.54,0.0,357.9501172,0.0,34.02,1.0,0.0,0.0
10267,Tulobuterol,,R03CC,R03C,R03,R,227.73,2.56,0.366,-2.8,1.0,13.9,63.88,1.0,2.0,4.0,32.26,9.55,1.0,227.1076919,0.0,24.53,2.0,1.0,1.0
10274,Vadadustat,,B03XA,B03X,B03,B,306.7,2.2,0.0436,-3.8,1.0,3.12,75.51,2.0,3.0,4.0,99.52,1.15,1.0,306.0407345,0.0,29.63,5.0,-1.0,1.0
10284,Fexinidazole,solid,P01CA,P01C,P01,P,279.31,2.38,0.0927,-3.5,1.0,,72.64,2.0,0.0,5.0,70.19,1.03,1.0,279.067762465,0.0,28.53,4.0,0.0,1.0
10286,Brigatinib,solid,L01ED,L01E,L01,L,584.1,3.66,0.022,-4.4,1.0,12.88,164.77,5.0,2.0,8.0,85.86,8.54,0.0,583.2591382,1.0,64.1,9.0,1.0,0.0
10297,Propiverine,solid,G04BD,G04B,G04,G,367.4813,4.25,0.00635,-4.8,1.0,,107.73,3.0,0.0,8.0,38.77,8.72,1.0,367.214743799,1.0,41.88,3.0,1.0,1.0
10320,Doravirine,solid,J05AR,J05A,J05,J,425.749,2.23,0.00321,-5.1,1.0,9.66,96.41,3.0,1.0,5.0,98.03,-2.6,1.0,425.050251565,0.0,36.06,5.0,0.0,1.0
10332,Dopexamine,,C01CA,C01C,C01,C,356.5017,2.98,0.00243,-5.2,1.0,10.71,108.83,2.0,4.0,13.0,64.52,10.14,1.0,356.246378278,0.0,43.77,4.0,2.0,1.0
10337,Benzbromarone,,M04AB,M04A,M04,M,424.083,5.55,0.0131,-4.5,1.0,5.11,92.37,3.0,1.0,3.0,50.44,-3.0,1.0,421.915319544,0.0,35.65,2.0,-1.0,0.0
10345,Eravacycline,solid,J01AA,J01A,J01,J,558.563,-3.5,0.838,-2.8,0.0,2.96,144.16,5.0,6.0,5.0,193.73,9.0,0.0,558.212592137,0.0,53.6,10.0,-1.0,0.0
10348,Rucaparib,solid,L01XK,L01X,L01,L,323.371,2.45,0.0114,-4.4,1.0,13.16,92.91,4.0,3.0,3.0,56.92,9.32,1.0,323.143390375,0.0,35.19,2.0,1.0,1.0
10354,Carisbamate,,N03AX,N03A,N03,N,215.63,1.29,2.15,-2.0,1.0,13.43,51.47,1.0,2.0,4.0,72.55,-3.5,1.0,215.0349209,0.0,20.38,2.0,0.0,1.0
10359,Temocillin,,J01CR,J01C,J01,J,414.45,1.2,0.102,-3.6,1.0,3.1,94.22,3.0,3.0,6.0,133.24,-4.3,1.0,414.055543276,1.0,38.91,7.0,-2.0,1.0
10380,Betrixaban,solid,B01AF,B01A,B01,B,451.91,3.03,0.0163,-4.4,1.0,11.63,138.29,3.0,3.0,6.0,107.41,10.91,0.0,451.1411173,1.0,47.62,6.0,1.0,1.0
10387,Siponimod,solid,L04AA,L04A,L04,L,516.605,4.31,0.00032,-6.2,1.0,3.33,138.6,4.0,1.0,10.0,62.13,8.5,0.0,516.259977484,1.0,55.99,5.0,0.0,0.0
10392,Relebactam,solid,J01DH,J01D,J01,J,348.37,-3.1,2.91,-2.1,1.0,-2.0,77.54,3.0,3.0,4.0,128.28,10.03,0.0,348.110355554,0.0,32.83,6.0,0.0,1.0
10414,Polmacoxib,,M01AH,M01A,M01,M,361.39,2.94,0.00269,-5.1,1.0,10.09,92.73,3.0,1.0,3.0,86.46,-4.9,1.0,361.078407336,0.0,35.46,4.0,0.0,1.0
10416,Bromperidol,,N05AD,N05A,N05,N,420.322,3.83,0.00723,-4.8,1.0,13.97,105.41,3.0,1.0,6.0,40.54,8.07,1.0,419.08962,1.0,41.37,3.0,1.0,1.0
10419,Remimazolam,solid,N05CD,N05C,N05,N,439.313,3.75,0.0213,-4.3,1.0,,119.71,4.0,0.0,5.0,69.37,5.99,1.0,438.069139,0.0,43.12,4.0,0.0,1.0
10422,Iobitridol,,V08AB,V08A,V08,V,835.169,-1.4,0.788,-3.0,0.0,11.64,156.01,1.0,7.0,12.0,191.1,-2.7,0.0,834.89596,0.0,61.59,9.0,0.0,0.0
10460,Nadifloxacin,,D10AF,D10A,D10,D,360.385,1.84,0.632,-2.8,1.0,6.13,96.03,4.0,2.0,2.0,81.08,0.44,1.0,360.148535327,0.0,36.53,6.0,-1.0,1.0
10468,Omadacycline,solid,J01AA,J01A,J01,J,556.66,-2.2,0.213,-3.4,0.0,2.87,153.93,4.0,6.0,7.0,176.66,10.54,0.0,556.289699644,1.0,60.02,10.0,1.0,0.0
10470,Rimegepant,solid,N02CD,N02C,N02,N,534.568,2.95,0.0755,-3.8,1.0,10.7,139.58,6.0,2.0,4.0,113.68,8.95,0.0,534.219095112,0.0,54.23,5.0,1.0,0.0
10472,Belotecan,,L01CE,L01C,L01,L,433.508,1.69,0.0779,-3.8,1.0,11.73,121.66,5.0,2.0,5.0,91.76,10.24,1.0,433.200156361,0.0,47.96,5.0,1.0,1.0
10478,Ketanserin,,C02KD,C02K,C02,C,395.434,3.61,0.156,-3.4,1.0,11.42,109.11,4.0,1.0,5.0,69.72,7.29,1.0,395.164519743,0.0,39.89,4.0,1.0,1.0
10479,Favipiravir,solid,J05AX,J05A,J05,J,157.104,0.25,8.7,-1.3,1.0,9.39,33.98,1.0,2.0,1.0,89.1,-3.7,0.0,157.028754544,0.0,12.12,4.0,0.0,1.0
10484,Levodropropizine,,R05DB,R05D,R05,R,236.315,0.61,97.1,-0.39,1.0,14.0,68.79,2.0,2.0,4.0,46.94,7.65,1.0,236.152477892,0.0,26.77,4.0,1.0,1.0
10485,Taurolidine,,B05CA,B05C,B05,B,284.35,-2.5,16.2,-1.2,1.0,10.53,60.73,2.0,2.0,2.0,98.82,1.97,0.0,284.061297359,0.0,26.08,6.0,0.0,1.0
10486,Lynestrenol,,G03AB,G03A,G03,G,284.443,4.04,0.00366,-4.9,1.0,17.59,86.81,4.0,1.0,0.0,20.23,-1.7,1.0,284.214015522,0.0,34.69,1.0,0.0,1.0
10495,Copanlisib,solid,L01EM,L01E,L01,L,480.529,0.32,0.231,-3.3,1.0,10.15,132.78,5.0,2.0,7.0,139.79,6.88,0.0,480.223351414,1.0,51.71,11.0,1.0,0.0
10503,Piritramide,,N02AC,N02A,N02,N,430.5851,3.39,0.00998,-4.6,1.0,15.72,139.81,4.0,1.0,7.0,73.36,8.87,0.0,430.27326173,1.0,49.45,4.0,1.0,1.0
10509,Clascoterone,solid,D10AX,D10A,D10,D,402.531,3.73,0.00753,-4.7,1.0,13.78,109.59,4.0,1.0,5.0,80.67,-3.3,1.0,402.240624195,0.0,44.86,4.0,0.0,1.0
10510,Fedratinib,solid,L01EJ,L01E,L01,L,524.678,4.64,0.00949,-4.7,1.0,10.21,147.88,4.0,3.0,10.0,108.48,9.0,0.0,524.256959738,1.0,57.16,8.0,1.0,0.0
10517,Imeglimin,,A10BX,A10B,A10,A,155.205,-0.69,4.63,-1.5,1.0,17.1,43.29,1.0,2.0,0.0,66.01,10.21,0.0,155.117095439,0.0,16.62,5.0,2.0,1.0
10530,Mizolastine,,R06AX,R06A,R06,R,432.503,3.73,0.0893,-3.7,1.0,8.08,122.28,5.0,1.0,5.0,65.76,5.63,1.0,432.207387612,0.0,46.07,5.0,0.0,1.0
10539,Oxetacaine,solid,C05AD,C05A,C05,C,467.654,3.16,0.0102,-4.7,1.0,15.59,138.53,2.0,1.0,12.0,64.09,5.78,0.0,467.314792192,0.0,52.95,4.0,0.0,1.0
10551,Indobufen,,B01AC,B01A,B01,B,295.338,3.31,0.0781,-3.6,1.0,3.83,83.75,3.0,1.0,4.0,57.61,-3.5,1.0,295.120843411,0.0,32.14,3.0,-1.0,1.0
10601,Asciminib,solid,L01EA,L01E,L01,L,449.84,3.4,0.0545,-3.9,1.0,11.06,104.81,4.0,3.0,6.0,103.37,4.19,1.0,449.1066235,1.0,41.88,6.0,0.0,1.0
10605,Sisomicin,,J01GB,J01G,J01,J,447.5264,-4.3,15.6,-1.5,0.0,12.55,110.32,3.0,8.0,6.0,213.72,9.74,0.0,447.269298563,1.0,46.67,12.0,5.0,0.0
10613,Ozanimod,solid,L04AA,L04A,L04,L,404.47,3.96,0.161,-3.4,1.0,15.6,135.66,4.0,2.0,7.0,104.2,8.96,0.0,404.184840649,1.0,45.21,6.0,1.0,1.0
10616,Plazomicin,,J01GB,J01G,J01,J,592.691,-6.1,12.3,-1.7,0.0,12.48,145.09,3.0,11.0,13.0,269.29,9.89,0.0,592.34319177,1.0,62.27,15.0,5.0,0.0
10626,Evogliptin,,A10BH,A10B,A10,A,401.43,1.17,0.11,-3.6,1.0,13.69,97.43,2.0,2.0,7.0,84.66,8.78,1.0,401.192626198,0.0,39.21,4.0,1.0,1.0
10666,Protionamide,,J04AD,J04A,J04,J,180.27,1.77,0.296,-2.8,1.0,11.89,54.79,1.0,1.0,3.0,38.91,4.97,1.0,180.072119568,0.0,20.09,1.0,0.0,1.0
10673,Lurbinectedin,solid,L01XX,L01X,L01,L,784.88,4.52,0.0646,-4.1,0.0,9.35,205.9,10.0,4.0,4.0,164.28,7.2,0.0,784.277814807,0.0,81.25,11.0,1.0,0.0
10691,Gusperimus,,L04AA,L04A,L04,L,387.529,-3.1,0.129,-3.5,0.0,11.37,115.75,0.0,8.0,17.0,178.38,12.28,0.0,387.295788079,0.0,44.43,8.0,3.0,0.0
10707,Sulprostone,,G02AD,G02A,G02,G,465.56,1.33,0.0296,-4.2,1.0,4.08,121.9,2.0,3.0,11.0,130.0,-2.9,1.0,465.182123516,0.0,48.36,7.0,-1.0,1.0
10712,Sotagliflozin,solid,A10BK,A10B,A10,A,424.94,3.73,0.042,-4.0,1.0,12.47,110.87,3.0,3.0,6.0,79.15,-3.7,1.0,424.1111228,1.0,44.93,5.0,0.0,1.0
10763,Cicletanine,,C03BX,C03B,C03,C,261.71,2.6,0.727,-2.6,1.0,8.57,69.68,3.0,1.0,1.0,42.35,5.51,1.0,261.0556563,0.0,26.49,3.0,0.0,1.0
10767,Lafutidine,,A02BA,A02B,A02,A,431.55,0.86,0.243,-3.2,1.0,8.87,120.24,3.0,1.0,11.0,84.67,7.94,1.0,431.1878776,1.0,46.25,5.0,1.0,1.0
10783,Norethandrolone,,A14AA,A14A,A14,A,302.458,3.87,0.0174,-4.2,1.0,19.28,89.12,4.0,1.0,1.0,37.3,-0.27,1.0,302.224580206,0.0,36.28,2.0,0.0,1.0
10785,Dinoprost,,G02AD,G02A,G02,G,354.487,2.61,0.117,-3.5,1.0,4.36,100.47,1.0,4.0,12.0,97.99,-1.6,1.0,354.240624195,0.0,40.86,5.0,-1.0,1.0
10786,Laninamivir,,J05AH,J05A,J05,J,346.3364,-5.1,1.12,-2.5,1.0,3.12,91.23,1.0,7.0,7.0,187.22,11.65,0.0,346.148849078,0.0,33.07,10.0,0.0,0.0
10802,Trifarotene,solid,D10AD,D10A,D10,D,459.586,5.15,0.000945,-5.7,1.0,3.97,136.98,4.0,2.0,8.0,70.0,4.75,0.0,459.240958547,1.0,53.11,5.0,-1.0,0.0
10818,Lefamulin,solid,J01XX,J01X,J01,J,507.73,2.9,0.00494,-5.0,1.0,14.19,138.86,4.0,3.0,6.0,109.85,10.08,0.0,507.301844727,1.0,57.34,5.0,1.0,0.0
10821,Amithiozone,,J04AM,J04A,J04,J,236.29,0.9,0.0505,-3.7,1.0,11.71,69.1,1.0,3.0,3.0,79.51,2.49,1.0,236.073182196,0.0,25.1,2.0,0.0,1.0
10824,Prednimustine,,L01AA,L01A,L01,L,646.65,5.87,0.000642,-6.0,0.0,12.61,174.68,5.0,2.0,13.0,104.14,1.72,0.0,645.2623936,1.0,69.68,6.0,0.0,0.0
10826,Secnidazole,solid,P01AB,P01A,P01,P,185.183,-0.043,4.88,-1.6,1.0,15.16,45.64,1.0,1.0,3.0,83.87,3.08,1.0,185.080041226,0.0,17.57,4.0,0.0,1.0
10838,Reproterol,,R03AK,R03A,R03,R,389.412,-1.2,2.88,-2.1,1.0,8.84,101.96,3.0,4.0,7.0,131.16,9.66,0.0,389.169918861,1.0,39.7,7.0,1.0,1.0
10856,Melarsoprol,,P01CD,P01C,P01,P,398.33,1.34,0.804,-2.7,1.0,12.77,90.68,3.0,4.0,4.0,122.97,7.17,1.0,397.996471,0.0,36.73,7.0,1.0,1.0
10857,Etelcalcetide,,H05BX,H05B,H05,H,1048.26,-11.0,0.132,-3.9,0.0,-1.3,303.63,0.0,22.0,36.0,557.71,12.57,0.0,1047.529069983,0.0,108.23,23.0,4.0,0.0
10859,Benperidol,,N05AD,N05A,N05,N,381.451,3.79,0.0306,-4.1,1.0,11.67,106.34,4.0,1.0,6.0,58.36,8.55,1.0,381.185255188,1.0,41.85,4.0,1.0,1.0
10866,Quizartinib,,L01EX,L01E,L01,L,560.67,5.16,0.0509,-4.0,0.0,10.43,168.24,6.0,2.0,8.0,106.16,6.62,0.0,560.220574708,1.0,61.51,6.0,0.0,0.0
10869,Oxatomide,,R06AE,R06A,R06,R,426.564,4.62,0.0393,-4.0,1.0,12.92,130.94,5.0,1.0,7.0,38.82,8.01,0.0,426.241961602,1.0,48.79,3.0,1.0,1.0
10879,Tazemetostat,solid,L01XX,L01X,L01,L,572.75,3.45,0.00932,-4.8,1.0,11.64,171.5,5.0,2.0,9.0,83.14,7.19,0.0,572.336255913,1.0,66.04,6.0,1.0,0.0
10913,Ozenoxacin,solid,D06AX,D06A,D06,D,363.417,2.54,0.103,-3.6,1.0,6.1,106.11,4.0,2.0,4.0,82.53,6.77,1.0,363.158291548,0.0,39.71,6.0,0.0,1.0
10915,Cafedrine,,C01CA,C01C,C01,C,357.414,0.6,1.56,-2.4,1.0,13.89,97.55,3.0,2.0,6.0,90.7,9.43,1.0,357.180089621,1.0,37.89,5.0,1.0,1.0
10916,Theodrenaline,,C01CA,C01C,C01,C,375.385,-0.83,3.71,-2.0,1.0,9.36,97.09,3.0,4.0,6.0,131.16,8.66,0.0,375.154268796,1.0,37.7,7.0,1.0,1.0
10919,Opipramol,,N06AA,N06A,N06,N,363.505,3.24,0.105,-3.5,1.0,15.59,114.06,4.0,1.0,6.0,29.95,7.86,1.0,363.231062566,1.0,42.65,4.0,1.0,1.0
10929,Darolutamide,solid,L02BB,L02B,L02,L,398.85,2.45,0.0727,-3.7,1.0,9.81,117.16,3.0,3.0,6.0,119.62,2.37,1.0,398.1258016,1.0,41.86,5.0,0.0,1.0
10930,Lactitol,solid,A06AD,A06A,A06,A,344.3124,-5.5,377.0,0.04,0.0,12.1,70.82,1.0,9.0,8.0,200.53,-3.0,0.0,344.13186161,0.0,31.98,11.0,0.0,0.0
10932,Phloroglucinol,,A03AX,A03A,A03,A,126.11,1.06,35.8,-0.55,1.0,9.13,32.0,1.0,3.0,0.0,60.69,-5.4,0.0,126.031694058,0.0,11.69,3.0,0.0,1.0
10939,Pivagabine,,N06AX,N06A,N06,N,187.239,1.0,4.14,-1.7,1.0,4.75,48.6,0.0,2.0,5.0,66.4,-0.86,1.0,187.120843411,0.0,20.5,3.0,-1.0,1.0
10942,Terizidone,,J04AK,J04A,J04,J,302.29,-0.34,0.252,-3.1,1.0,3.54,76.99,3.0,2.0,4.0,101.38,2.75,1.0,302.101504947,0.0,29.9,6.0,-2.0,1.0
10955,Mitoguazone,,L01XX,L01X,L01,L,184.2024,-2.2,0.412,-2.6,1.0,16.46,48.85,0.0,4.0,3.0,153.52,7.38,0.0,184.118492424,0.0,18.58,8.0,1.0,1.0
10963,Pyronaridine,,P01BF,P01B,P01,P,518.06,4.22,0.0132,-4.6,1.0,7.96,147.74,6.0,2.0,7.0,73.75,10.08,0.0,517.224453,1.0,57.85,7.0,2.0,0.0
10966,Pexidartinib,solid,L01EX,L01E,L01,L,417.82,4.54,0.00315,-5.1,1.0,15.68,105.89,4.0,2.0,6.0,66.49,6.76,1.0,417.0968077,1.0,39.33,4.0,1.0,1.0
10990,Cortivazol,,H02AB,H02A,H02,H,530.665,3.63,0.0033,-5.2,1.0,12.47,149.98,6.0,2.0,5.0,101.65,2.05,0.0,530.278072332,0.0,59.8,5.0,0.0,0.0
11011,Tiapride,,N05AL,N05A,N05,N,328.427,0.46,0.252,-3.1,1.0,13.23,88.02,1.0,1.0,8.0,75.71,8.87,1.0,328.145677956,0.0,35.58,5.0,1.0,1.0
11012,Ornidazole,,G01AF,G01A,G01,G,219.63,0.26,3.34,-1.8,1.0,13.89,50.23,1.0,1.0,4.0,83.87,3.08,1.0,219.0410689,0.0,19.59,4.0,0.0,1.0
11014,Biapenem,,J01DH,J01D,J01,J,350.39,-6.1,2.75,-2.2,1.0,3.51,120.82,4.0,1.0,4.0,102.37,-1.6,0.0,350.10487625,0.0,35.06,5.0,0.0,1.0
11028,Fenoverine,,A03AX,A03A,A03,A,459.56,4.03,0.0259,-4.2,1.0,16.18,130.3,6.0,0.0,4.0,45.25,6.64,0.0,459.161662851,0.0,49.49,5.0,0.0,1.0
11035,Tirilazad,,N07XX,N07X,N07,N,624.874,6.63,0.0773,-3.9,0.0,18.26,190.35,8.0,0.0,6.0,72.88,6.59,0.0,624.415174938,1.0,73.65,8.0,0.0,0.0
11040,Oteseconazole,solid,J02AC,J02A,J02,J,527.403,4.69,0.00458,-5.1,1.0,10.67,128.23,4.0,1.0,9.0,85.95,2.01,0.0,527.119221916,1.0,44.38,6.0,0.0,0.0
11054,Nimustine,,L01AD,L01A,L01,L,272.69,0.63,0.149,-3.3,1.0,12.94,68.55,1.0,2.0,5.0,113.57,6.26,1.0,272.0788514,0.0,25.71,5.0,1.0,1.0
11056,Creatinolfosfate,,C01EB,C01E,C01,C,197.131,-1.9,9.81,-1.3,1.0,1.48,53.09,0.0,4.0,4.0,119.87,12.3,0.0,197.056542876,0.0,16.96,6.0,-1.0,1.0
11059,Macimorelin,,V04CD,V04C,V04,V,474.565,1.67,0.00616,-4.9,1.0,12.4,133.14,4.0,6.0,9.0,144.9,8.34,0.0,474.23793885,1.0,49.05,4.0,1.0,0.0
11067,Pyritinol,,N06BX,N06B,N06,N,368.47,0.43,0.232,-3.2,1.0,9.14,98.78,2.0,4.0,7.0,106.7,6.02,1.0,368.08644948,0.0,38.6,6.0,0.0,1.0
11072,Enoxolone,,D03AX,D03A,D03,D,470.694,6.03,0.00172,-5.4,1.0,4.44,134.27,5.0,2.0,1.0,74.6,-0.84,0.0,470.339609961,0.0,55.22,4.0,-1.0,0.0
11074,Tiropramide,,A03AC,A03A,A03,A,467.6434,4.72,0.00583,-4.9,1.0,15.04,139.37,2.0,1.0,15.0,61.88,9.32,0.0,467.314792193,0.0,55.38,4.0,1.0,1.0
11075,Meclocycline,solid,D10AF,D10A,D10,D,476.87,-3.0,0.542,-2.9,1.0,2.95,118.47,4.0,6.0,2.0,181.62,8.82,0.0,476.0986433,0.0,44.05,9.0,-1.0,0.0
11082,Valnoctamide,,N05CM,N05C,N05,N,143.23,1.83,4.42,-1.5,1.0,17.09,42.02,0.0,1.0,4.0,43.09,-1.1,0.0,143.131014171,0.0,17.1,1.0,0.0,1.0
11107,Troxerutin,,C05CA,C05C,C05,C,742.6752,-2.5,1.43,-2.7,0.0,7.14,172.47,5.0,10.0,15.0,293.21,-2.8,0.0,742.232029162,1.0,73.12,19.0,-1.0,0.0
11108,Lusutrombopag,solid,B02BX,B02B,B02,B,591.54,8.56,0.000145,-6.6,0.0,3.02,157.53,3.0,2.0,13.0,97.75,-1.2,0.0,590.1408987,1.0,63.73,6.0,-1.0,0.0
11112,Trimegestone,,G03FA,G03F,G03,G,342.479,3.71,0.0188,-4.3,1.0,13.7,99.51,4.0,1.0,2.0,54.37,-3.4,1.0,342.219494826,0.0,39.44,3.0,0.0,1.0
11118,Fluindione,,B01AA,B01A,B01,B,240.233,3.02,0.0549,-3.6,1.0,4.19,65.45,3.0,0.0,1.0,34.14,-7.5,1.0,240.058657693,0.0,23.35,2.0,-1.0,1.0
11124,Calcium glubionate anhydrous,solid,A12AA,A12A,A12,A,592.513,-9.6,47.2,-1.1,0.0,11.32,107.1,1.0,13.0,17.0,334.05,-3.6,0.0,592.1163697,0.0,50.17,17.0,0.0,0.0
11125,Methallenestril,solid,G03CC,G03C,G03,G,286.371,4.72,0.00102,-5.4,1.0,4.53,83.11,2.0,1.0,5.0,46.53,-4.8,1.0,286.156894568,0.0,32.23,3.0,-1.0,1.0
11128,Fluciclovine (18F),liquid,V09IX,V09I,V09,V,132.125,-2.9,173.0,0.11,1.0,2.07,27.75,1.0,2.0,1.0,63.32,9.42,0.0,132.056441169,0.0,11.65,3.0,0.0,1.0
11138,Inosine pranobex,solid,J05AX,J05A,J05,J,1115.249,-2.5,13.8,-1.3,0.0,8.93,61.33,6.0,4.0,14.0,129.2,0.58,0.0,1114.554641092,1.0,24.6,7.0,0.0,0.0
11139,Sodium lauryl sulfoacetate,solid,A06AG,A06A,A06,A,330.41,4.0,0.00576,-4.8,1.0,-1.1,77.32,0.0,0.0,14.0,83.5,-7.3,1.0,330.14768942,0.0,34.95,4.0,-1.0,1.0
11140,Clobetasone,solid,D07AB,D07A,D07,D,408.89,3.6,0.00691,-4.8,1.0,12.49,104.72,4.0,1.0,2.0,71.44,-3.9,1.0,408.1503652,0.0,41.36,4.0,0.0,1.0
11144,Olmutinib,solid,L01EB,L01E,L01,L,486.59,5.47,0.00792,-4.8,1.0,13.85,140.67,5.0,2.0,7.0,82.62,7.96,0.0,486.183795275,1.0,53.21,6.0,1.0,0.0
11145,Ripasudil,solid,S01EX,S01E,S01,S,323.39,0.88,0.3,-3.0,1.0,,82.56,3.0,1.0,1.0,62.3,8.2,1.0,323.110376169,0.0,31.25,4.0,1.0,1.0
11146,Zofenopril,solid,C09BA,C09B,C09,C,429.55,4.31,0.00311,-5.1,1.0,3.5,116.82,3.0,1.0,8.0,74.68,-1.3,1.0,429.106850573,1.0,46.1,4.0,-1.0,1.0
11147,Alclofenac,solid,M01AB,M01A,M01,M,226.66,2.79,0.288,-2.9,1.0,3.71,57.8,1.0,1.0,5.0,46.53,-4.9,1.0,226.0396719,0.0,22.28,3.0,-1.0,1.0
11149,Nandrolone,solid,S01XA,S01X,S01,S,274.3978,3.07,0.0561,-3.7,1.0,18.25,79.95,4.0,1.0,0.0,37.3,-0.88,1.0,274.193280076,0.0,32.27,2.0,0.0,1.0
11150,Plecanatide,solid,A06AX,A06A,A06,A,1681.89,3.71,0.25,-3.8,0.0,2.43,427.55,2.0,25.0,28.0,772.46,,0.0,1680.625200237,0.0,164.58,44.0,-8.0,0.0
11157,Inositol,solid,A11HA,A11H,A11,A,180.1559,-3.8,485.0,0.43,1.0,12.29,35.78,1.0,6.0,0.0,121.38,-3.6,0.0,180.063388116,0.0,16.14,6.0,0.0,0.0
11158,Troleandomycin,solid,J01FA,J01F,J01,J,813.9684,4.3,0.0192,-4.6,0.0,19.62,201.15,4.0,0.0,12.0,184.19,7.87,0.0,813.451070479,1.0,86.05,12.0,1.0,0.0
11162,Technetium Tc-99m etifenin,solid,V09DA,V09D,V09,V,739.607,-0.46,0.182,-3.3,0.0,3.25,85.8,2.0,3.0,18.0,106.94,2.57,0.0,739.191129968,0.0,33.09,6.0,-1.0,0.0
11163,Oxabolone cipionate,solid,A14AB,A14A,A14,A,414.586,5.29,0.00377,-5.0,1.0,9.23,116.85,5.0,1.0,5.0,63.6,-3.7,1.0,414.277009704,0.0,48.9,3.0,0.0,0.0
11165,Ethacridine,solid,D08AA,D08A,D08,D,253.305,2.28,0.192,-3.1,1.0,18.09,87.45,3.0,3.0,2.0,71.13,12.12,1.0,253.121512115,0.0,28.25,4.0,1.0,1.0
11166,Phosphocreatine,solid,C01EB,C01E,C01,C,211.1131,-2.3,3.52,-1.8,1.0,-1.1,53.18,0.0,5.0,3.0,133.95,13.57,0.0,211.035806957,0.0,16.82,7.0,-2.0,1.0
11178,Bamifylline,,R03DA,R03D,R03,R,385.468,1.1,1.79,-2.3,1.0,15.59,108.05,3.0,1.0,8.0,81.91,8.7,1.0,385.211389749,1.0,42.04,5.0,1.0,1.0
11180,Teclozan,,P01AC,P01A,P01,P,502.25,3.49,0.00142,-5.6,0.0,16.38,123.22,1.0,0.0,14.0,59.08,-3.8,0.0,500.0803182,0.0,50.1,4.0,0.0,0.0
11181,Bamethan,,C04AA,C04A,C04,C,209.289,1.14,1.85,-2.0,1.0,9.2,61.12,1.0,3.0,6.0,52.49,9.96,1.0,209.141578856,0.0,24.04,3.0,1.0,1.0
11182,Arginine glutamate,,A05BA,A05B,A05,A,321.334,-3.2,2.28,-1.9,1.0,2.41,53.92,0.0,5.0,9.0,125.22,12.41,0.0,321.164833481,0.0,17.86,6.0,1.0,1.0
11183,Prednylidene,,H02AB,H02A,H02,H,372.461,1.37,0.359,-3.0,1.0,12.12,102.67,4.0,3.0,2.0,94.83,-2.9,1.0,372.193674002,0.0,40.25,5.0,0.0,1.0
11187,Phenolsulfonphthalein,,V04CH,V04C,V04,V,354.38,4.11,0.018,-4.3,1.0,9.16,94.12,4.0,2.0,2.0,83.83,-6.0,1.0,354.056194725,0.0,34.9,4.0,0.0,1.0
11188,Butaperazine,,N05AB,N05A,N05,N,409.59,4.48,0.0103,-4.6,1.0,17.29,124.63,4.0,0.0,7.0,26.79,7.86,1.0,409.218783804,1.0,47.63,4.0,1.0,1.0
11189,Sulfadicramide,,S01AB,S01A,S01,S,254.3,1.13,1.23,-2.3,1.0,4.41,67.09,1.0,2.0,2.0,89.26,2.11,1.0,254.072513493,0.0,26.12,4.0,-1.0,1.0
11190,Sulfobromophthalein,,V04CE,V04C,V04,V,794.03,7.09,0.00799,-5.0,0.0,-3.4,142.77,4.0,4.0,4.0,175.5,-6.5,0.0,789.644891,0.0,56.42,9.0,-2.0,0.0
11192,Fentiazac,,M01AB,M01A,M01,M,329.8,5.06,0.00136,-5.4,1.0,4.82,97.03,3.0,1.0,4.0,50.19,1.3,1.0,329.0277275,0.0,34.0,3.0,-1.0,0.0
11193,Mandelic acid,,B05CA,B05C,B05,B,152.149,0.9,16.8,-0.96,1.0,3.75,38.7,1.0,2.0,2.0,57.53,-4.1,0.0,152.047344118,0.0,14.66,3.0,-1.0,1.0
11195,Ferrous aspartate,,B03AA,B03A,B03,B,186.932,-3.5,35.1,-0.84,1.0,1.7,48.21,0.0,1.0,3.0,106.28,9.61,0.0,186.956794,0.0,10.51,5.0,-1.0,1.0
11196,Apronalide,,N05CM,N05C,N05,N,184.239,1.19,7.52,-1.4,1.0,11.75,50.31,0.0,2.0,4.0,72.19,-6.3,1.0,184.121177763,0.0,19.82,2.0,0.0,1.0
11197,Tilbroquinol,,P01AA,P01A,P01,P,238.084,3.11,0.299,-2.9,1.0,7.84,54.62,2.0,1.0,0.0,33.12,4.46,1.0,236.978927,0.0,20.4,2.0,0.0,1.0
11198,Fluocortin,,D07AB,D07A,D07,D,390.451,2.74,0.0302,-4.1,1.0,3.73,101.56,4.0,2.0,2.0,91.67,-0.23,1.0,390.184252132,0.0,40.21,5.0,-1.0,1.0
11199,Piperidione,,R05DB,R05D,R05,R,169.224,1.34,29.0,-0.77,1.0,14.47,45.68,1.0,1.0,2.0,46.17,-3.4,1.0,169.110278727,0.0,18.06,2.0,0.0,1.0
11201,Acetylleucine,,N07CA,N07C,N07,N,173.212,0.49,10.9,-1.2,1.0,4.2,43.61,0.0,2.0,4.0,66.4,-1.8,1.0,173.105193347,0.0,18.29,3.0,-1.0,1.0
11202,Tribenoside,,C05AX,C05A,C05,C,478.585,5.17,0.00325,-5.2,0.0,12.36,133.51,4.0,1.0,13.0,66.38,-3.6,0.0,478.235538815,1.0,52.51,6.0,0.0,0.0
11205,Gestonorone,,L02AB,L02A,L02,L,316.441,3.1,0.0213,-4.2,1.0,12.7,89.63,4.0,1.0,1.0,54.37,-3.8,1.0,316.203844762,0.0,36.34,3.0,0.0,1.0
11206,Calcium lactate,solid,A12AA,A12A,A12,A,218.218,-0.47,191.0,-0.06,1.0,3.78,29.68,0.0,1.0,2.0,60.36,-3.7,0.0,218.0103289,0.0,7.65,3.0,-1.0,1.0
11207,Suxibuzone,,M02AA,M02A,M02,M,438.473,3.68,0.033,-4.1,1.0,3.67,115.08,3.0,1.0,11.0,104.22,-7.0,1.0,438.179086574,1.0,45.51,5.0,-1.0,1.0
11209,Propanidid,,N01AX,N01A,N01,N,337.416,2.15,0.229,-3.2,1.0,16.59,91.53,1.0,0.0,11.0,65.07,-4.6,1.0,337.188922973,0.0,37.52,4.0,0.0,1.0
11210,Perboric acid,solid,A01AB,A01A,A01,A,59.82,0.48,23.0,,1.0,7.47,5.36,0.0,1.0,1.0,46.53,-6.1,0.0,60.001874,0.0,4.27,2.0,0.0,1.0
11211,Stibophen,,P02BX,P02B,P02,P,895.2,0.38,0.919,-2.8,1.0,-3.5,70.12,2.0,0.0,4.0,160.52,-6.5,0.0,893.76483,0.0,20.05,8.0,-2.0,0.0
11212,Clofoctol,,J01XX,J01X,J01,J,365.34,7.99,3.62e-05,-7.0,1.0,10.28,104.28,2.0,1.0,5.0,20.23,-5.5,0.0,364.1360709,0.0,39.94,1.0,0.0,0.0
11214,Neltenexine,,R05CB,R05C,R05,R,488.24,4.49,0.00115,-5.6,1.0,11.23,109.66,3.0,3.0,5.0,61.36,8.84,0.0,485.961225,0.0,43.17,3.0,1.0,1.0
11215,Cymarin,,C01AC,C01A,C01,C,548.673,1.69,0.0804,-3.8,1.0,7.18,140.03,6.0,3.0,5.0,131.75,0.27,0.0,548.298532997,0.0,58.62,8.0,0.0,0.0
11217,Bucladesine,,C01CE,C01C,C01,C,469.391,0.59,1.62,-2.5,1.0,1.72,108.06,4.0,2.0,8.0,163.99,2.46,1.0,469.136249751,1.0,45.25,8.0,-1.0,1.0
11218,Tiazofurine,,L01XX,L01X,L01,L,260.267,-2.0,5.85,-1.6,1.0,12.55,56.53,2.0,4.0,3.0,125.9,-1.4,0.0,260.046692194,0.0,24.08,6.0,0.0,1.0
11219,Aminomethylbenzoic acid,,B02AA,B02A,B02,B,151.1626,-1.5,3.65,-1.6,1.0,3.87,41.79,1.0,2.0,2.0,63.32,9.32,0.0,151.063328537,0.0,15.53,3.0,0.0,1.0
11222,Pramiracetam,,N06BX,N06B,N06,N,269.389,0.1,5.31,-1.7,1.0,15.85,76.31,1.0,1.0,7.0,52.65,9.61,1.0,269.210327121,0.0,30.8,3.0,1.0,1.0
11223,Phthalylsulfathiazole,,G01AE,G01A,G01,G,403.43,2.55,0.0171,-4.4,1.0,2.91,100.36,3.0,3.0,5.0,125.46,0.59,1.0,403.029662879,0.0,37.83,6.0,-2.0,1.0
11225,Methylmethionine chloride,,A02BX,A02B,A02,A,199.69,-3.3,9.2,-1.3,1.0,2.24,41.1,0.0,2.0,4.0,63.32,9.41,0.0,199.0433776,0.0,17.52,3.0,1.0,1.0
11226,Octopamine,,C01CA,C01C,C01,C,153.1784,-0.32,17.2,-0.95,1.0,9.64,42.47,1.0,3.0,2.0,66.48,8.98,0.0,153.078978601,0.0,16.16,3.0,1.0,1.0
11228,Proxibarbal,,N05CA,N05C,N05,N,226.232,-0.16,23.5,-0.98,1.0,7.18,55.24,1.0,3.0,4.0,95.5,-2.5,1.0,226.095356939,0.0,21.35,4.0,0.0,1.0
11233,Etofamide,,P01AC,P01A,P01,P,427.28,4.17,0.000915,-5.7,1.0,16.68,107.2,2.0,0.0,10.0,81.91,-3.6,1.0,426.0749272,0.0,41.77,4.0,0.0,1.0
11236,Sitafloxacin,,J01MA,J01M,J01,J,873.68,-0.17,0.055,-3.9,1.0,5.7,99.09,10.0,2.0,6.0,86.87,9.37,0.0,872.232645,1.0,38.98,6.0,0.0,0.0
11239,Penimepicycline,,J01AA,J01A,J01,J,937.03,-4.5,8.04,-1.9,0.0,3.34,154.26,8.0,7.0,11.0,194.34,9.27,0.0,936.357521681,1.0,61.87,12.0,-1.0,0.0
11241,Cefatrizine,,J01DB,J01D,J01,J,462.5,-2.2,0.149,-3.5,1.0,2.92,115.69,4.0,5.0,7.0,174.53,7.22,0.0,462.078010052,1.0,42.34,8.0,0.0,1.0
11243,Acetarsol,solid,G01AB,G01A,G01,G,275.0903,-0.031,2.8,-2.0,1.0,3.55,48.89,1.0,4.0,2.0,106.86,-4.5,1.0,274.977493852,0.0,21.45,5.0,-1.0,1.0
11244,Dichlorobenzyl alcohol,solid,R02AA,R02A,R02,R,177.02,2.41,1.38,-2.1,1.0,14.68,42.48,1.0,1.0,1.0,20.23,-2.9,0.0,175.9795702,0.0,16.26,1.0,0.0,1.0
11245,Dibekacin,,J01GB,J01G,J01,J,451.521,-5.3,33.9,-1.1,0.0,12.54,105.38,3.0,9.0,6.0,247.94,9.84,0.0,451.264213171,1.0,46.15,13.0,5.0,0.0
11247,Meladrazine,,G04BD,G04B,G04,G,253.354,0.67,0.527,-2.7,1.0,13.0,74.76,1.0,2.0,6.0,81.61,10.49,1.0,253.201493769,0.0,28.8,7.0,2.0,1.0
11248,Sultopride,,N05AL,N05A,N05,N,354.47,1.08,0.201,-3.2,1.0,13.22,95.14,2.0,1.0,7.0,75.71,8.22,1.0,354.161328499,0.0,38.07,5.0,1.0,1.0
11249,Micronomicin,,S01AA,S01A,S01,S,463.576,-3.6,17.5,-1.4,0.0,12.55,113.6,3.0,8.0,7.0,199.73,10.06,0.0,463.30059868,1.0,49.66,12.0,5.0,0.0
11250,Clorindione,,B01AA,B01A,B01,B,256.69,3.48,0.00531,-4.7,1.0,4.4,70.04,3.0,0.0,1.0,34.14,-7.5,1.0,256.0291072,0.0,25.63,2.0,-1.0,1.0
11251,Idanpramine,,A03AX,A03A,A03,A,423.513,2.93,0.0357,-4.1,1.0,10.61,118.17,4.0,1.0,7.0,71.11,8.31,1.0,423.215806426,1.0,46.51,5.0,1.0,1.0
11252,Benziodarone,,C01DX,C01D,C01,C,518.089,5.87,0.0139,-4.6,0.0,5.61,103.85,3.0,1.0,3.0,50.44,-3.0,0.0,517.88758,0.0,39.84,2.0,-1.0,0.0
11253,Bucetin,,N02BE,N02B,N02,N,223.272,1.25,2.17,-2.0,1.0,14.58,62.95,1.0,2.0,5.0,58.56,-2.6,1.0,223.120843411,0.0,24.74,3.0,0.0,1.0
11255,Aluminium acetoacetate,,A02AB,A02A,A02,A,330.225,-0.0015,0.083,-3.6,1.0,4.02,33.38,0.0,0.0,6.0,57.2,-7.5,0.0,330.0531456,0.0,8.78,3.0,-1.0,1.0
11258,Sulfaisodimidine,,J01EB,J01E,J01,J,278.33,0.91,0.229,-3.1,1.0,6.12,73.78,2.0,2.0,2.0,97.97,5.0,1.0,278.083746881,0.0,28.05,5.0,-1.0,1.0
11261,Bumadizone,,M01AB,M01A,M01,M,326.396,4.72,0.0541,-3.8,1.0,4.35,93.54,2.0,2.0,8.0,69.64,-7.0,1.0,326.163042576,0.0,35.07,4.0,-1.0,1.0
11263,Tromantadine,,J05AC,J05A,J05,J,280.412,1.13,0.209,-3.1,1.0,15.41,79.45,3.0,1.0,6.0,41.57,8.57,1.0,280.21507815,1.0,33.1,3.0,1.0,1.0
11265,Olaflur,,A01AA,A01A,A01,A,498.785,5.75,0.0017,-5.4,0.0,15.12,140.04,0.0,3.0,27.0,67.17,9.72,0.0,498.457200126,0.0,61.94,5.0,2.0,0.0
11266,Cloridarol,,C01DX,C01D,C01,C,258.7,3.67,0.0188,-4.1,1.0,12.63,70.68,3.0,1.0,2.0,33.37,-3.0,1.0,258.0447573,0.0,26.68,1.0,0.0,1.0
11269,Azidamfenicol,,S01AA,S01A,S01,S,295.255,-0.4,1.22,-2.4,1.0,11.94,70.22,1.0,3.0,7.0,142.13,-2.8,1.0,295.091668539,0.0,26.91,7.0,0.0,1.0
11272,Idrocilamide,,M02AX,M02A,M02,M,191.23,0.86,0.498,-2.6,1.0,15.38,56.07,1.0,2.0,4.0,49.33,-0.43,1.0,191.094628663,0.0,21.23,2.0,0.0,1.0
11273,Alsactide,,V04CH,V04C,V04,V,2119.57,-10.0,0.0296,-4.9,0.0,3.48,565.35,6.0,30.0,73.0,826.16,11.94,0.0,2118.167304301,1.0,224.91,31.0,6.0,0.0
11275,Epicillin,,J01CA,J01C,J01,J,351.42,-2.3,0.792,-2.6,1.0,3.25,90.55,3.0,3.0,4.0,112.73,7.6,0.0,351.125277342,0.0,35.64,5.0,0.0,1.0
11277,Febarbamate,,M03BA,M03B,M03,M,405.451,2.38,0.0539,-3.9,1.0,7.39,103.35,2.0,2.0,11.0,128.03,-4.1,1.0,405.189985601,0.0,41.89,5.0,-1.0,1.0
11280,Chlorquinaldol,solid,P01AA,P01A,P01,P,228.07,3.17,0.0538,-3.6,1.0,6.99,56.16,2.0,1.0,0.0,33.12,4.0,1.0,226.9904692,0.0,21.62,2.0,-1.0,1.0
11281,Proscillaridin,,C01AB,C01A,C01,C,530.658,2.3,0.0427,-4.1,1.0,12.22,140.05,6.0,4.0,3.0,125.68,0.3,0.0,530.287968312,0.0,58.26,7.0,0.0,0.0
11282,Oxametacin,,M01AB,M01A,M01,M,372.81,2.72,0.00569,-4.8,1.0,8.86,98.4,3.0,2.0,4.0,80.56,-2.3,1.0,372.0876847,0.0,37.81,4.0,0.0,1.0
11285,Trepibutone,,A03AX,A03A,A03,A,310.346,1.95,0.103,-3.5,1.0,3.45,80.99,1.0,1.0,10.0,82.06,-4.4,1.0,310.141638428,0.0,33.19,6.0,-1.0,1.0
11286,Delapril,,C09AA,C09A,C09,C,452.551,2.17,0.00537,-4.9,1.0,3.82,124.64,3.0,2.0,12.0,95.94,5.21,1.0,452.231122138,1.0,49.42,5.0,-1.0,1.0
11287,Melevodopa,,N04BA,N04B,N04,N,211.217,0.62,2.15,-2.0,1.0,9.29,53.85,1.0,3.0,4.0,92.78,6.97,1.0,211.084457903,0.0,21.25,4.0,1.0,1.0
11288,Alminoprofen,,M01AE,M01A,M01,M,219.284,1.86,0.676,-2.5,1.0,4.15,65.58,1.0,2.0,5.0,49.33,4.77,1.0,219.125928791,0.0,24.78,3.0,-1.0,1.0
11289,Sobrerol,,R05CB,R05C,R05,R,170.252,0.94,26.0,-0.82,1.0,14.48,49.98,1.0,2.0,1.0,40.46,-2.8,1.0,170.13067982,0.0,19.58,2.0,0.0,1.0
11291,Flunoxaprofen,,M01AE,M01A,M01,M,285.274,3.67,0.0499,-3.8,1.0,4.59,83.92,3.0,1.0,3.0,63.33,0.12,1.0,285.080121413,0.0,28.99,3.0,-1.0,1.0
11292,Demecolcine,,L01CC,L01C,L01,L,371.433,2.08,0.032,-4.1,1.0,16.96,106.71,3.0,1.0,5.0,66.02,9.7,1.0,371.173272909,0.0,40.25,6.0,1.0,1.0
11293,Propenidazole,,G01AF,G01A,G01,G,267.241,1.15,0.344,-2.9,1.0,18.17,65.03,1.0,0.0,6.0,104.33,1.38,1.0,267.085520531,0.0,25.72,5.0,0.0,1.0
11294,Sulfaperin,,J01ED,J01E,J01,J,264.3,0.9,0.312,-2.9,1.0,7.03,69.24,2.0,2.0,2.0,97.97,2.02,1.0,264.068096816,0.0,25.96,5.0,0.0,1.0
11299,Nifurzide,,A07AX,A07A,A07,A,336.28,2.36,0.0188,-4.2,1.0,8.87,78.06,2.0,1.0,6.0,140.88,0.27,1.0,336.016455168,0.0,29.89,6.0,0.0,1.0
11301,Picotamide,,B01AC,B01A,B01,B,376.416,0.98,0.0168,-4.4,1.0,13.44,105.38,3.0,2.0,7.0,93.21,5.12,1.0,376.15354052,1.0,39.26,5.0,0.0,1.0
11302,Butanilicaine,,N01BB,N01B,N01,N,254.76,3.16,0.0665,-3.6,1.0,12.3,72.77,1.0,2.0,6.0,41.13,8.69,1.0,254.1185909,0.0,28.15,2.0,1.0,1.0
11305,Pyrithyldione,,N05CE,N05C,N05,N,167.208,1.56,5.45,-1.5,1.0,13.04,45.9,1.0,1.0,2.0,46.17,-5.3,1.0,167.094628663,0.0,17.38,2.0,0.0,1.0
11307,Efloxate,,C01DX,C01D,C01,C,324.332,2.79,0.00781,-4.6,1.0,15.8,89.04,3.0,0.0,6.0,61.83,-4.8,1.0,324.099773615,1.0,34.27,4.0,0.0,1.0
11308,Mannosulfan,,L01AB,L01A,L01,L,494.51,-4.0,3.62,-2.1,0.0,12.7,89.41,0.0,2.0,13.0,213.94,-3.7,0.0,493.989240084,0.0,42.7,10.0,0.0,1.0
11311,Pheneticillin,,J01CR,J01C,J01,J,364.42,1.33,0.356,-3.0,1.0,3.47,90.26,3.0,2.0,5.0,95.94,-4.9,1.0,364.109292926,0.0,36.74,5.0,-1.0,1.0
11312,Flurithromycin,,J01FA,J01F,J01,J,751.927,2.43,0.355,-3.3,0.0,11.82,185.93,3.0,5.0,7.0,193.91,8.38,0.0,751.451819352,1.0,79.53,13.0,1.0,0.0
11314,Suloctidil,,C04AX,C04A,C04,C,337.57,5.61,0.000974,-5.5,0.0,13.87,103.99,1.0,2.0,12.0,32.26,9.76,0.0,337.243935925,0.0,43.08,2.0,1.0,0.0
11315,Fenozolone,,N06BA,N06B,N06,N,204.229,1.43,1.23,-2.2,1.0,15.33,55.23,2.0,1.0,2.0,50.69,-0.79,1.0,204.089877634,0.0,21.45,4.0,0.0,1.0
11317,Tioxolone,,D10AB,D10A,D10,D,168.17,2.06,3.71,-1.7,1.0,7.35,40.96,2.0,1.0,0.0,46.53,-5.8,0.0,167.988115163,0.0,15.04,3.0,0.0,1.0
11319,Dihydroergocristine,solid,C04AE,C04A,C04,C,611.743,3.83,0.141,-3.6,1.0,9.71,168.28,8.0,3.0,5.0,118.21,8.39,0.0,611.31076944,0.0,67.27,6.0,1.0,0.0
11320,Bufexamac,solid,M01AB,M01A,M01,M,223.272,1.97,0.233,-3.0,1.0,8.86,61.29,1.0,2.0,6.0,58.56,-4.8,1.0,223.120843411,0.0,24.58,3.0,0.0,1.0
11321,Diphenadione,,B01AA,B01A,B01,B,340.378,4.78,0.000755,-5.6,1.0,4.18,99.8,4.0,0.0,4.0,51.21,-7.4,1.0,340.109944375,0.0,35.39,3.0,-1.0,1.0
11322,Tiadenol,,C10AX,C10A,C10,C,294.51,3.41,0.0021,-5.2,1.0,15.25,86.02,0.0,2.0,15.0,40.46,-2.6,1.0,294.168722554,0.0,37.94,2.0,0.0,1.0
11324,Azanidazole,,G01AF,G01A,G01,G,246.23,0.83,0.806,-2.5,1.0,16.59,65.2,2.0,1.0,3.0,112.76,4.06,1.0,246.086523586,0.0,24.0,6.0,0.0,1.0
11326,Deanol,,N06BX,N06B,N06,N,89.1362,-0.5,1400.0,1.2,1.0,15.59,26.28,0.0,1.0,2.0,23.47,9.03,0.0,89.084063979,0.0,10.5,2.0,1.0,1.0
11327,Viminol,,N02BG,N02B,N02,N,362.94,5.43,0.00865,-4.6,1.0,13.86,106.9,2.0,1.0,9.0,28.4,10.14,1.0,362.2124913,0.0,40.62,2.0,1.0,0.0
11331,Styramate,,M03BA,M03B,M03,M,181.191,0.68,5.83,-1.5,1.0,13.66,46.66,1.0,2.0,4.0,72.55,-3.4,1.0,181.073893218,0.0,18.35,2.0,0.0,1.0
11333,Magnesium aspartate,,A12CC,A12C,A12,A,360.555,-3.5,2.98,-2.0,1.0,1.7,37.37,0.0,2.0,6.0,103.45,9.61,0.0,360.08666579,0.0,10.99,5.0,-1.0,1.0
11336,Pheneturide,,N03AX,N03A,N03,N,206.245,1.45,0.364,-2.8,1.0,11.71,56.61,1.0,2.0,3.0,72.19,-7.5,1.0,206.105527699,0.0,21.53,2.0,0.0,1.0
11337,Oxaceprol,,M01AX,M01A,M01,M,173.168,-1.6,640.0,0.57,1.0,3.69,38.95,1.0,2.0,1.0,77.84,-1.8,0.0,173.068807838,0.0,16.35,4.0,-1.0,1.0
11342,Motretinide,,D10AD,D10A,D10,D,353.506,5.36,0.000767,-5.7,1.0,16.33,115.63,1.0,1.0,7.0,38.33,-0.22,1.0,353.235479242,0.0,43.68,2.0,0.0,0.0
11343,Benzilone,,A03AB,A03A,A03,A,354.469,-0.78,0.000375,-6.0,1.0,11.05,114.25,3.0,1.0,7.0,46.53,-4.5,0.0,354.206370186,1.0,39.46,2.0,1.0,1.0
11344,Bromisoval,,N05CM,N05C,N05,N,223.07,0.8,1.71,-2.1,1.0,10.95,43.93,0.0,2.0,2.0,72.19,-7.7,1.0,222.000391,0.0,17.9,2.0,0.0,1.0
11345,Difenpiramide,,M01AB,M01A,M01,M,288.35,4.07,0.00557,-4.7,1.0,12.02,88.94,3.0,1.0,4.0,41.99,4.04,1.0,288.126263143,0.0,32.19,2.0,0.0,1.0
11348,Vincamine,,C04AX,C04A,C04,C,354.45,3.39,0.216,-3.2,1.0,10.52,99.57,5.0,1.0,3.0,54.7,6.7,1.0,354.194342705,0.0,39.39,3.0,0.0,1.0
11350,Succinimide,,G04BX,G04B,G04,G,99.089,-0.99,228.0,0.36,1.0,9.9,22.28,1.0,1.0,0.0,46.17,-7.2,0.0,99.032028405,0.0,8.82,2.0,0.0,1.0
11352,Norfenefrine,,C01CA,C01C,C01,C,153.181,-0.32,18.6,-0.91,1.0,9.56,42.47,1.0,3.0,2.0,66.48,8.91,0.0,153.078978598,0.0,15.94,3.0,1.0,1.0
11353,Chiniofon,,P01AX,P01A,P01,P,435.12,-0.58,0.496,-2.8,1.0,-4.4,65.95,2.0,2.0,1.0,87.49,2.82,0.0,434.88856,0.0,25.8,5.0,-1.0,1.0
11354,Difemerine,,A03AA,A03A,A03,A,327.424,3.42,0.125,-3.4,1.0,11.05,95.33,2.0,1.0,7.0,49.77,8.99,1.0,327.183443669,0.0,35.89,3.0,1.0,1.0
11355,Sodium feredetate,,B03AB,B03A,B03,B,367.047,-1.5,0.0541,-3.9,1.0,1.12,71.6,4.0,0.0,2.0,119.03,-7.0,0.0,366.984071,0.0,26.41,5.0,-1.0,1.0
11357,Diiodohydroxypropane,,D08AG,D08A,D08,D,311.889,1.79,0.564,-2.7,1.0,14.16,43.39,0.0,1.0,2.0,20.23,-3.2,0.0,311.8508,0.0,17.31,1.0,0.0,1.0
11360,Epimestrol,,G03GB,G03G,G03,G,302.414,2.82,0.0143,-4.3,1.0,13.62,85.75,4.0,2.0,1.0,49.69,-3.2,1.0,302.188194697,0.0,35.02,3.0,0.0,1.0
11363,Iopydol,,V08AD,V08A,V08,V,420.973,1.31,4.82,-1.9,1.0,13.98,71.86,1.0,2.0,3.0,60.77,-3.0,1.0,420.86718,0.0,27.86,4.0,0.0,1.0
11364,Levoverbenone,,R05CA,R05C,R05,R,150.221,2.24,3.84,-1.6,1.0,19.84,45.37,2.0,0.0,0.0,17.07,-4.7,0.0,150.104465071,0.0,17.37,1.0,0.0,1.0
11365,Merbromin,,D08AK,D08A,D08,D,750.65,3.07,0.0844,-4.0,1.0,3.61,142.01,4.0,1.0,2.0,109.72,-2.0,0.0,749.818928236,0.0,42.76,6.0,-2.0,0.0
11367,Adrenalone,,A01AD,A01A,A01,A,181.191,-0.18,8.68,-1.3,1.0,7.5,48.56,1.0,3.0,3.0,69.56,8.24,1.0,181.073893218,0.0,18.32,4.0,1.0,1.0
11368,Eprozinol,,R03DX,R03D,R03,R,354.494,2.93,0.174,-3.3,1.0,14.44,106.8,3.0,1.0,8.0,35.94,7.89,1.0,354.230728214,1.0,41.94,4.0,1.0,1.0
11369,Neocitrullamon,,N03AB,N03A,N03,N,367.405,-0.42,0.0177,-4.3,1.0,1.68,98.37,3.0,3.0,7.0,112.73,9.2,0.0,367.153206168,1.0,38.13,5.0,0.0,1.0
11371,Oxyfedrine,,C01DX,C01D,C01,C,313.397,2.63,0.0217,-4.2,1.0,13.88,90.75,2.0,2.0,8.0,58.56,9.06,1.0,313.167793605,0.0,34.91,4.0,1.0,1.0
11372,Terguride,,G02CB,G02C,G02,G,340.471,2.2,0.0875,-3.6,1.0,15.54,101.19,4.0,2.0,3.0,51.37,7.51,1.0,340.226311538,0.0,39.14,2.0,1.0,1.0
11373,Linsidomine,,C01DX,C01D,C01,C,170.172,-2.1,31.2,-0.86,1.0,10.06,60.32,2.0,1.0,1.0,62.61,-2.9,0.0,170.080375578,0.0,16.29,4.0,1.0,1.0
11374,Metildigoxin,,C01AA,C01A,C01,C,794.976,3.01,0.0608,-4.1,0.0,7.15,197.98,8.0,5.0,8.0,192.06,-3.0,0.0,794.445256805,1.0,86.59,13.0,0.0,0.0
11375,Acetylglycinamide chloral hydrate,,N05CC,N05C,N05,N,282.5,-1.3,43.4,-0.58,1.0,3.77,25.45,0.0,2.0,3.0,66.4,-2.0,0.0,280.9624555,0.0,10.69,3.0,-1.0,1.0
11376,Oxypertine,,N05AE,N05A,N05,N,379.504,3.92,0.0349,-4.0,1.0,17.51,115.07,4.0,1.0,6.0,40.73,8.51,1.0,379.225977186,1.0,44.74,4.0,1.0,1.0
11377,Edetate sodium,,S01XA,S01X,S01,S,380.17,-5.0,97.1,-0.59,1.0,1.5,105.69,0.0,0.0,11.0,167.0,7.52,0.0,380.01844407,0.0,24.74,10.0,-3.0,1.0
11378,Mefruside,,C03BB,C03B,C03,C,382.87,0.94,0.221,-3.2,1.0,8.68,87.86,2.0,1.0,4.0,106.77,-4.2,1.0,382.0423918,0.0,36.06,5.0,0.0,1.0
11379,Carbutamide,,A10BB,A10B,A10,A,271.34,0.95,0.686,-2.6,1.0,4.35,69.93,1.0,3.0,4.0,101.29,2.11,1.0,271.099062593,0.0,28.43,4.0,-1.0,1.0
11380,Nifenazone,,M02AA,M02A,M02,M,308.341,0.79,0.378,-2.9,1.0,10.56,88.0,3.0,1.0,3.0,65.54,3.59,1.0,308.127325771,0.0,32.76,4.0,0.0,1.0
11382,Rokitamycin,,J01FA,J01F,J01,J,828.006,3.63,0.061,-4.1,0.0,12.71,211.11,3.0,3.0,15.0,206.05,7.9,0.0,827.466720526,1.0,89.06,13.0,1.0,0.0
11383,Guanoxabenz,,C02CC,C02C,C02,C,247.08,2.24,0.0951,-3.4,1.0,14.79,91.32,1.0,4.0,2.0,80.5,6.25,1.0,246.0075163,0.0,22.36,5.0,0.0,1.0
11384,Lofepramine,,N06AA,N06A,N06,N,418.97,6.11,0.000838,-5.7,1.0,17.02,125.31,4.0,0.0,7.0,23.55,6.53,0.0,418.1811912,1.0,46.66,3.0,0.0,0.0
11385,Pirisudanol,,N06BX,N06B,N06,N,340.376,-0.76,1.64,-2.3,1.0,9.44,86.94,1.0,2.0,11.0,109.19,8.38,0.0,340.163436501,0.0,35.65,6.0,1.0,1.0
11386,Phenglutarimide,,N04AA,N04A,N04,N,288.391,2.0,0.187,-3.2,1.0,11.7,83.81,2.0,1.0,6.0,49.41,9.96,1.0,288.183778021,0.0,32.57,3.0,1.0,1.0
11387,Fenyramidol,,M03BX,M03B,M03,M,214.268,1.92,0.94,-2.4,1.0,14.1,64.98,2.0,2.0,4.0,45.15,6.61,1.0,214.110613079,0.0,23.69,3.0,0.0,1.0
11390,Morinamide,,J04AK,J04A,J04,J,222.248,-1.1,4.72,-1.7,1.0,13.34,57.25,2.0,1.0,3.0,67.35,4.0,0.0,222.111675707,0.0,22.7,5.0,0.0,1.0
11391,Moxestrol,,G03CB,G03C,G03,G,326.436,3.23,0.00928,-4.6,1.0,10.21,93.72,4.0,2.0,1.0,49.69,-3.7,1.0,326.188194697,0.0,37.06,3.0,0.0,1.0
11392,Troxipide,,A02BX,A02B,A02,A,294.351,0.68,0.356,-2.9,1.0,14.45,79.36,2.0,2.0,5.0,68.82,9.52,1.0,294.157957196,0.0,32.09,5.0,1.0,1.0
11394,Edoxudine,solid,D06BB,D06B,D06,D,256.258,-0.67,61.4,-0.62,1.0,9.95,60.01,2.0,3.0,3.0,99.1,-3.0,0.0,256.105921623,0.0,24.93,5.0,0.0,1.0
11395,Nicofuranose,,C10AD,C10A,C10,C,600.54,2.35,0.0593,-4.0,0.0,10.22,147.02,5.0,1.0,14.0,186.22,3.84,0.0,600.149242989,1.0,58.8,10.0,0.0,0.0
11400,Iobenzamic acid,,V08AC,V08A,V08,V,662.004,4.48,0.00929,-4.8,1.0,2.7,120.28,2.0,2.0,5.0,83.63,0.93,0.0,661.80603,0.0,44.65,4.0,-1.0,0.0
11402,Mebutizide,,C03AA,C03A,C03,C,381.89,1.95,0.324,-3.1,1.0,9.06,90.59,2.0,3.0,4.0,118.36,-2.6,1.0,381.0583762,0.0,37.54,5.0,0.0,1.0
11403,Proglumide,,A02BX,A02B,A02,A,334.416,2.14,0.145,-3.4,1.0,4.42,91.56,1.0,2.0,10.0,86.71,-1.2,1.0,334.189257325,0.0,36.7,4.0,-1.0,1.0
11404,Lonazolac,,M01AB,M01A,M01,M,312.75,4.33,0.00937,-4.5,1.0,4.31,85.3,3.0,1.0,4.0,55.12,1.89,1.0,312.0665554,0.0,32.25,3.0,-1.0,1.0
11407,Endralazine,,C02DB,C02D,C02,C,269.308,0.38,0.257,-3.0,1.0,10.36,88.53,3.0,2.0,1.0,83.08,5.46,1.0,269.127660123,0.0,28.32,5.0,0.0,1.0
11408,Droxypropine,,R05DB,R05D,R05,R,305.418,2.25,0.567,-2.7,1.0,15.12,88.48,2.0,1.0,8.0,49.77,8.06,1.0,305.199093733,0.0,35.15,4.0,1.0,1.0
11413,Citiolone,,A05BA,A05B,A05,A,159.2,-0.43,10.2,-1.2,1.0,12.53,39.2,1.0,1.0,1.0,46.17,-1.8,0.0,159.035399708,0.0,15.59,2.0,0.0,1.0
11414,Esatenolol,,C07AB,C07A,C07,C,266.341,0.43,0.429,-2.8,1.0,14.08,73.51,1.0,3.0,8.0,84.58,9.67,1.0,266.163042576,0.0,29.99,4.0,1.0,1.0
11415,Ioxitalamic acid,solid,V08AA,V08A,V08,V,643.942,2.04,0.265,-3.4,1.0,2.13,108.53,1.0,4.0,5.0,115.73,-1.8,0.0,643.78021,0.0,41.6,5.0,-1.0,0.0
11416,Nepinalone,,R05DB,R05D,R05,R,271.404,3.91,0.0429,-3.8,1.0,19.18,83.66,3.0,0.0,3.0,20.31,8.98,1.0,271.193614429,0.0,31.92,2.0,1.0,1.0
11419,Mazaticol,,N04AA,N04A,N04,N,405.57,4.01,0.0457,-4.0,1.0,10.4,107.83,4.0,1.0,5.0,49.77,9.36,1.0,405.143236081,0.0,43.46,3.0,1.0,1.0
11420,Proxyphylline,,R03DA,R03D,R03,R,238.247,-0.82,14.6,-1.2,1.0,15.17,60.54,2.0,1.0,2.0,78.67,-0.97,0.0,238.106590327,0.0,23.66,4.0,0.0,1.0
11421,Tioclomarol,,B01AA,B01A,B01,B,447.33,5.37,0.000581,-5.9,1.0,4.83,113.59,4.0,2.0,5.0,66.76,-3.1,1.0,446.0146356,0.0,44.2,3.0,-1.0,0.0
11422,Cadralazine,,C02DB,C02D,C02,C,283.3268,1.23,0.635,-2.6,1.0,12.88,78.74,1.0,3.0,8.0,99.61,3.37,1.0,283.164439563,0.0,30.19,6.0,0.0,1.0
11425,Phenibut,,N06BX,N06B,N06,N,179.219,-1.4,1.56,-2.1,1.0,4.44,50.02,1.0,2.0,4.0,63.32,9.8,0.0,179.094628663,0.0,18.82,3.0,0.0,1.0
11426,Midecamycin,solid,J01FA,J01F,J01,J,813.979,3.19,0.0935,-3.9,0.0,12.71,206.51,3.0,3.0,14.0,206.05,7.9,0.0,813.451070461,1.0,85.96,13.0,1.0,0.0
11429,Pecilocin,,D01AA,D01A,D01,D,291.391,2.4,0.181,-3.2,1.0,18.09,86.98,1.0,1.0,7.0,57.61,-1.4,1.0,291.183443669,0.0,33.94,3.0,0.0,1.0
11431,Cefcapene,,J01DD,J01D,J01,J,453.49,-0.91,0.0382,-4.1,1.0,3.11,109.24,3.0,4.0,8.0,177.94,4.13,0.0,453.0776757,1.0,43.72,7.0,-1.0,1.0
11432,Bephenium,,P02CX,P02C,P02,P,256.368,-0.6,4.35e-05,-6.8,1.0,18.33,91.07,2.0,0.0,6.0,9.23,-4.9,0.0,256.169590753,0.0,30.19,1.0,1.0,1.0
11435,Ciclobendazole,,P02CA,P02C,P02,P,259.265,2.14,0.226,-3.1,1.0,9.14,68.73,3.0,2.0,4.0,84.08,3.4,1.0,259.095691291,0.0,27.16,4.0,0.0,1.0
11437,Lanatoside C,,C01AA,C01A,C01,C,985.127,1.04,0.3,-3.5,0.0,7.15,234.8,9.0,8.0,12.0,288.28,-3.0,0.0,984.492994847,1.0,103.8,18.0,0.0,0.0
11440,Cefodizime,,J01DD,J01D,J01,J,584.669,0.24,0.068,-3.9,0.0,2.68,136.93,4.0,4.0,10.0,197.4,3.45,0.0,584.027629784,1.0,56.47,11.0,-2.0,0.0
11441,Nalfurafine,,V03AX,V03A,V03,V,476.573,2.24,0.162,-3.5,1.0,10.29,131.33,7.0,2.0,5.0,86.38,9.51,0.0,476.231122138,0.0,51.16,5.0,1.0,1.0
11445,Furazidin,,J01XE,J01X,J01,J,264.197,0.07,0.14,-3.3,1.0,8.23,61.6,2.0,1.0,4.0,118.05,0.48,1.0,264.049469374,0.0,24.08,5.0,0.0,1.0
11448,Meptazinol,,N02AX,N02A,N02,N,233.355,3.07,0.354,-2.8,1.0,10.23,72.28,2.0,1.0,2.0,23.47,9.16,1.0,233.177964365,0.0,27.89,2.0,1.0,1.0
11451,Tenidap,,M01AX,M01A,M01,M,320.75,2.32,0.00947,-4.5,1.0,4.83,79.78,3.0,2.0,1.0,83.63,-0.69,1.0,320.002241,0.0,30.33,3.0,-1.0,1.0
11453,Etamsylate,,B02BX,B02B,B02,B,263.31,1.2,17.4,-1.0,1.0,-2.8,40.64,1.0,3.0,3.0,94.83,-6.0,1.0,263.082743825,0.0,15.98,5.0,-1.0,1.0
11454,Quinbolone,,A14AA,A14A,A14,A,352.518,5.03,0.001,-5.6,1.0,18.86,108.18,5.0,0.0,2.0,26.3,-4.6,1.0,352.24023027,0.0,42.19,2.0,0.0,0.0
11455,Sulfametomidine,,J01ED,J01E,J01,J,294.33,1.39,0.26,-3.0,1.0,7.18,75.97,2.0,2.0,3.0,107.2,3.66,1.0,294.078661501,0.0,28.91,6.0,0.0,1.0
11457,Iodine (131I) norcholesterol,,V09XA,V09X,V09,V,516.562,7.67,0.000117,-6.6,0.0,18.19,133.56,4.0,1.0,6.0,20.23,-1.4,0.0,516.253165237,1.0,55.61,1.0,0.0,0.0
11460,Hidrosmin,,C05CA,C05C,C05,C,652.602,-1.6,1.08,-2.8,0.0,9.55,153.17,5.0,8.0,10.0,243.52,-2.8,0.0,652.200335079,1.0,64.76,16.0,0.0,0.0
11461,Fluperolone,,D07AB,D07A,D07,D,392.467,1.89,0.0579,-3.8,1.0,12.53,102.52,4.0,3.0,2.0,94.83,-3.4,1.0,392.199902197,0.0,40.82,5.0,0.0,1.0
11463,Cyclobutyrol,,A05AX,A05A,A05,A,186.251,1.91,11.8,-1.2,1.0,4.71,49.12,1.0,2.0,3.0,57.53,-3.1,1.0,186.12559444,0.0,20.24,3.0,-1.0,1.0
11464,Dimetofrine,,C01CA,C01C,C01,C,227.26,-0.38,10.7,-1.3,1.0,8.97,60.18,1.0,3.0,5.0,70.95,9.68,1.0,227.115758031,0.0,23.84,5.0,1.0,1.0
11468,Cefsulodin,,J01DD,J01D,J01,J,532.54,-5.8,0.0186,-4.5,1.0,-1.4,139.44,4.0,3.0,8.0,190.88,-0.7,0.0,532.072255968,1.0,49.58,8.0,-1.0,0.0
11469,Otilonium,,A03CA,A03C,A03,A,483.672,2.58,2.42e-05,-7.3,1.0,12.75,155.79,2.0,1.0,17.0,64.63,-3.9,0.0,483.321734293,0.0,58.63,3.0,1.0,1.0
11470,Bendazac,,M02AA,M02A,M02,M,282.299,3.06,0.103,-3.4,1.0,3.66,88.76,3.0,1.0,5.0,64.35,0.35,1.0,282.100442319,0.0,28.97,4.0,-1.0,1.0
11473,Cefetamet,,J01DD,J01D,J01,J,397.42,-0.65,0.174,-3.4,1.0,2.72,94.18,3.0,3.0,5.0,147.21,3.61,0.0,397.051460951,0.0,37.42,8.0,-1.0,1.0
11475,Carfecillin,,G01AA,G01A,G01,G,454.5,2.62,0.018,-4.4,1.0,3.29,115.37,4.0,2.0,7.0,113.01,-6.3,1.0,454.11985761,1.0,45.34,5.0,-1.0,1.0
11476,Poldine,,A03AB,A03A,A03,A,340.442,-0.97,0.000537,-5.8,1.0,11.05,109.4,3.0,1.0,6.0,46.53,-4.5,0.0,340.190720121,1.0,37.74,2.0,1.0,1.0
11477,Cloranolol,,C07AA,C07A,C07,C,292.2,3.08,0.0879,-3.5,1.0,14.09,74.62,1.0,2.0,6.0,41.49,9.76,1.0,291.0792843,0.0,30.46,3.0,1.0,1.0
11478,Aloxiprin,,N02BA,N02B,N02,N,282.119,1.24,36.2,-0.76,1.0,3.41,44.45,1.0,1.0,3.0,63.6,-7.1,1.0,281.9900796,0.0,16.96,3.0,-1.0,1.0
11479,Buflomedil,,C04AX,C04A,C04,C,307.39,1.88,0.486,-2.8,1.0,15.61,86.27,2.0,0.0,8.0,48.0,8.69,1.0,307.178358289,0.0,34.46,5.0,1.0,1.0
11480,Clebopride,,A03FA,A03F,A03,A,373.88,2.42,0.0198,-4.3,1.0,14.61,106.07,3.0,2.0,5.0,67.59,8.52,1.0,373.1557047,0.0,39.81,4.0,1.0,1.0
11481,Clefamide,,P01AC,P01A,P01,P,399.22,3.17,0.00872,-4.7,1.0,15.54,98.71,2.0,1.0,8.0,95.59,-2.5,1.0,398.043627,0.0,37.14,4.0,0.0,1.0
11482,Tribromometacresol,,D01AE,D01A,D01,D,344.828,4.49,0.0149,-4.4,1.0,6.51,55.95,1.0,1.0,0.0,20.23,-7.7,0.0,341.789054,0.0,21.83,1.0,-1.0,1.0
11483,Pranoprofen,,S01BC,S01B,S01,S,255.2686,2.94,1.03,-2.4,1.0,3.63,70.02,3.0,1.0,2.0,59.42,2.24,1.0,255.089543287,0.0,26.86,3.0,-1.0,1.0
11484,Levomethadone,,N07BC,N07B,N07,N,309.453,5.01,0.0059,-4.7,1.0,18.78,97.27,2.0,0.0,7.0,20.31,9.12,1.0,309.209264493,0.0,35.86,2.0,1.0,0.0
11492,Veralipride,,N05AL,N05A,N05,N,383.46,0.55,0.285,-3.1,1.0,10.06,99.51,2.0,2.0,8.0,110.96,7.77,1.0,383.151492091,0.0,39.87,6.0,1.0,1.0
11495,Pentaerithrityl,,A06AD,A06A,A06,A,136.147,-2.7,479.0,0.55,1.0,14.3,31.73,0.0,4.0,4.0,80.92,-2.8,0.0,136.073558866,0.0,13.53,4.0,0.0,1.0
11496,Proglumetacin,,M01AB,M01A,M01,M,844.45,5.72,0.00116,-5.9,0.0,15.04,232.88,5.0,1.0,23.0,139.72,7.8,0.0,843.3973915,1.0,94.75,8.0,1.0,0.0
11497,Chlormadinone,,G03AA,G03A,G03,G,362.89,3.28,0.00677,-4.7,1.0,12.7,99.94,4.0,1.0,1.0,54.37,-3.8,1.0,362.1648724,0.0,39.66,3.0,0.0,1.0
11498,Dobesilic acid,,C05BX,C05B,C05,C,190.174,1.2,17.4,-1.0,1.0,-2.8,40.64,1.0,3.0,1.0,94.83,-6.0,0.0,189.993593992,0.0,15.98,5.0,-1.0,1.0
11499,Mepindolol,,C07AA,C07A,C07,C,262.353,1.89,0.354,-2.9,1.0,14.09,76.61,2.0,3.0,6.0,57.28,9.67,1.0,262.168127956,0.0,30.36,3.0,1.0,1.0
11500,Nicofetamide,,A03AC,A03A,A03,A,302.377,3.63,0.00398,-4.9,1.0,15.01,91.53,3.0,1.0,5.0,41.99,3.62,1.0,302.141913208,0.0,33.22,2.0,0.0,1.0
11501,Cyclopenthiazide,,G01AE,G01A,G01,G,379.87,1.45,0.279,-3.1,1.0,9.07,88.97,3.0,3.0,3.0,118.36,-2.6,1.0,379.0427261,0.0,36.83,5.0,0.0,1.0
11502,Methylestrenolone,,G03DC,G03D,G03,G,288.431,3.35,0.0302,-4.0,1.0,19.28,84.59,4.0,1.0,0.0,37.3,-0.53,1.0,288.208930142,0.0,34.21,2.0,0.0,1.0
11503,Gedocarnil,,N05BX,N05B,N05,N,424.88,4.82,0.00156,-5.4,1.0,11.58,114.75,4.0,1.0,7.0,73.44,2.43,1.0,424.1189849,1.0,44.08,3.0,0.0,1.0
11505,Broxyquinoline,,P01AA,P01A,P01,P,302.95,3.36,0.105,-3.5,1.0,7.14,57.21,2.0,1.0,0.0,33.12,3.31,0.0,300.873789081,0.0,21.7,2.0,-1.0,1.0
11506,Gitoformate,,C01AA,C01A,C01,C,920.999,4.18,0.0169,-4.7,0.0,6.82,216.57,8.0,1.0,17.0,233.41,-3.2,0.0,920.404179841,1.0,95.66,13.0,-1.0,0.0
11508,Iodoxamic acid,,V08AC,V08A,V08,V,1287.925,7.17,0.00284,-5.7,0.0,2.03,218.95,2.0,4.0,19.0,169.72,-3.8,0.0,1287.58557,0.0,88.78,10.0,-2.0,0.0
11509,Isepamicin,,J01GB,J01G,J01,J,569.6031,-7.3,63.0,-0.96,0.0,12.07,128.43,3.0,12.0,9.0,297.72,9.54,0.0,569.290821865,1.0,56.68,16.0,4.0,0.0
11510,Iprazochrome,,N02CX,N02C,N02,N,264.285,-0.45,1.42,-2.3,1.0,11.64,71.32,2.0,3.0,2.0,108.02,2.12,0.0,264.122240391,0.0,26.87,5.0,0.0,1.0
11511,Bevonium,,A03AB,A03A,A03,A,354.469,-0.53,0.000297,-6.1,1.0,11.05,114.0,3.0,1.0,6.0,46.53,-4.5,0.0,354.206370186,1.0,39.5,2.0,1.0,1.0
11512,Mitobronitol,,L01AX,L01A,L01,L,307.966,-0.65,39.7,-0.89,1.0,12.63,50.47,0.0,4.0,5.0,80.92,-3.5,0.0,305.910235,0.0,21.05,4.0,0.0,1.0
11513,Ethenzamide,,N02BA,N02B,N02,N,165.192,1.02,2.44,-1.8,1.0,13.68,46.35,1.0,1.0,3.0,52.32,-0.93,1.0,165.078978598,0.0,17.29,2.0,0.0,1.0
11514,Isobromindione,,M04AB,M04A,M04,M,301.139,3.65,0.00722,-4.6,1.0,4.55,72.86,3.0,0.0,1.0,34.14,-7.5,1.0,299.978593,0.0,26.9,2.0,-1.0,1.0
11516,Sulfatolamide,,G01AE,G01A,G01,G,417.52,0.3,0.344,-2.8,1.0,6.13,59.15,2.0,3.0,3.0,98.21,2.25,1.0,417.059917634,0.0,21.76,3.0,-1.0,1.0
11518,4-dimethylaminophenol,,V03AB,V03A,V03,V,137.182,1.78,187.0,0.13,1.0,10.33,42.47,1.0,1.0,1.0,23.47,5.92,0.0,137.084063978,0.0,15.33,2.0,0.0,1.0
11520,Cinchophen,,M04AC,M04A,M04,M,249.269,3.82,0.0355,-3.8,1.0,3.57,72.0,3.0,1.0,2.0,50.19,1.26,1.0,249.078978598,0.0,26.59,3.0,-1.0,1.0
11521,Trifluperidol,,N05AD,N05A,N05,N,409.425,3.93,0.0178,-4.4,1.0,13.93,103.76,3.0,1.0,7.0,40.54,8.02,1.0,409.166491637,1.0,40.04,3.0,1.0,1.0
11522,Carumonam,,J01DF,J01D,J01,J,466.4,-3.9,0.318,-3.2,0.0,-1.9,93.15,2.0,5.0,9.0,253.9,3.09,0.0,466.021283023,0.0,40.34,12.0,-2.0,0.0
11523,Moperone,,N05AD,N05A,N05,N,355.453,3.57,0.0102,-4.5,1.0,14.02,102.83,3.0,1.0,6.0,40.54,8.17,1.0,355.194757244,1.0,39.22,3.0,1.0,1.0
11524,Prajmaline,,C01BA,C01B,C01,C,369.528,-1.4,0.0299,-4.1,1.0,12.01,117.75,6.0,2.0,3.0,43.7,-0.54,0.0,369.253654731,0.0,42.74,3.0,1.0,1.0
11525,Sulfamazone,,J01ED,J01E,J01,J,560.6,-0.16,0.0389,-4.2,0.0,-1.6,141.93,4.0,3.0,8.0,171.13,-0.6,0.0,560.114789485,1.0,54.34,11.0,-2.0,0.0
11528,Rimiterol,,R03AC,R03A,R03,R,223.272,0.44,6.83,-1.5,1.0,9.74,61.04,2.0,4.0,2.0,72.72,8.93,1.0,223.120843411,0.0,23.79,4.0,1.0,1.0
11531,Norgestrienone,,G03AC,G03A,G03,G,294.394,2.41,0.0113,-4.4,1.0,17.57,89.12,4.0,1.0,0.0,37.3,-1.7,1.0,294.161979948,0.0,33.61,2.0,0.0,1.0
11532,Zipeprol,,R05DB,R05D,R05,R,384.52,2.88,0.198,-3.3,1.0,13.72,112.65,3.0,1.0,9.0,45.17,7.79,1.0,384.241292898,1.0,43.71,5.0,1.0,1.0
11533,Benzoxonium,,A01AB,A01A,A01,A,364.593,1.25,0.000139,-6.5,1.0,13.67,123.78,1.0,2.0,17.0,40.46,-3.3,1.0,364.321006017,0.0,47.26,2.0,1.0,1.0
11534,Sequifenadine,,R06AX,R06A,R06,R,321.464,4.14,0.0106,-4.5,1.0,13.19,100.32,4.0,1.0,3.0,23.47,8.95,1.0,321.209264493,0.0,36.89,2.0,1.0,1.0
11535,Desaspidin,,P02DX,P02D,P02,P,446.496,5.0,0.0678,-3.8,1.0,3.46,121.2,2.0,4.0,9.0,141.36,-4.7,1.0,446.194067926,0.0,46.75,8.0,-2.0,0.0
11536,Diodone,,V08AA,V08A,V08,V,510.067,2.11,1.92,-2.3,1.0,2.53,65.69,1.0,1.0,6.0,57.61,-8.2,0.0,509.91486,0.0,25.02,4.0,-1.0,0.0
11539,Pentamycin,,G01AA,G01A,G01,G,670.837,-0.68,0.209,-3.5,0.0,12.89,182.93,1.0,10.0,5.0,228.6,-2.8,0.0,670.392827308,0.0,74.3,11.0,0.0,0.0
11541,Acefylline,,R03DA,R03D,R03,R,238.203,-1.1,14.7,-1.2,1.0,3.26,55.92,2.0,1.0,2.0,95.74,-1.0,0.0,238.070204818,0.0,21.81,5.0,-1.0,1.0
11542,Heptaminol,,C01DX,C01D,C01,C,145.246,0.82,16.2,-0.95,1.0,18.53,43.8,0.0,2.0,4.0,46.25,10.43,0.0,145.146664236,0.0,18.22,2.0,1.0,1.0
11544,Aluminium nicotinate,,C10AD,C10A,C10,C,393.291,-0.17,0.0189,-4.3,1.0,2.79,41.99,3.0,0.0,3.0,53.02,4.19,1.0,393.0541486,0.0,10.86,3.0,-1.0,1.0
11548,Succinylsulfathiazole,,A07AB,A07A,A07,A,355.38,0.87,0.185,-3.3,1.0,3.36,83.33,2.0,3.0,6.0,125.46,0.59,1.0,355.029662879,0.0,33.41,6.0,-2.0,1.0
11549,Rociverine,,A03AA,A03A,A03,A,339.52,3.99,0.0582,-3.8,1.0,14.09,97.7,2.0,1.0,8.0,49.77,9.2,1.0,339.277344055,0.0,40.08,3.0,1.0,1.0
11550,Ferric (59Fe) citrate,,V09XX,V09X,V09,V,248.034,-1.3,2.25,-2.2,1.0,3.05,68.14,0.0,1.0,5.0,140.62,-4.2,0.0,247.938407994,0.0,14.23,7.0,-3.0,1.0
11551,Mephenesin,solid,M03BX,M03B,M03,M,182.219,1.01,20.8,-0.94,1.0,13.62,49.82,1.0,2.0,4.0,49.69,-3.0,1.0,182.094294311,0.0,19.7,3.0,0.0,1.0
11554,Metandienone,,A14AA,A14A,A14,A,300.4351,3.64,0.0161,-4.3,1.0,18.39,90.16,4.0,1.0,0.0,37.3,-0.53,1.0,300.20893014,0.0,35.09,2.0,0.0,1.0
11555,Mesterolone,,G03BB,G03B,G03,G,304.4669,3.7,0.00641,-4.7,1.0,19.38,88.15,4.0,1.0,0.0,37.3,-0.88,1.0,304.240230268,0.0,36.3,2.0,0.0,1.0
11557,Calcium pangamate,,A12AA,A12A,A12,A,600.584,-5.8,16.3,-1.6,0.0,2.98,71.69,0.0,4.0,18.0,150.59,6.58,0.0,600.169074,0.0,25.99,8.0,-1.0,0.0
11558,Metopimazine,,A04AD,A04A,A04,A,445.6,2.04,0.019,-4.4,1.0,15.93,123.16,4.0,1.0,6.0,83.71,8.48,1.0,445.149384089,1.0,47.93,5.0,1.0,1.0
11560,Zolimidine,,A02BX,A02B,A02,A,272.32,1.63,0.0187,-4.2,1.0,19.68,74.7,3.0,0.0,2.0,51.44,5.64,1.0,272.061948808,0.0,28.78,3.0,0.0,1.0
11562,Oxycinchophen,,M01CA,M01C,M01,M,265.2634,3.94,0.0849,-3.5,1.0,3.36,73.98,3.0,2.0,2.0,70.42,1.72,1.0,265.073893223,0.0,27.36,4.0,-1.0,1.0
11563,Moroxydine,,J05AX,J05A,J05,J,171.204,-1.1,1.41,-2.1,1.0,19.16,65.72,1.0,4.0,0.0,98.22,11.85,0.0,171.112010059,0.0,17.22,6.0,2.0,1.0
11565,Difetarsone,,P01AR,P01A,P01,P,460.149,-0.24,0.167,-3.4,1.0,3.16,82.51,2.0,6.0,7.0,139.12,4.51,1.0,459.959676,0.0,37.89,8.0,-2.0,0.0
11566,Deltamethrin,,P03BA,P03B,P03,P,505.199,5.74,0.00125,-5.6,0.0,10.65,124.29,3.0,0.0,7.0,59.32,-3.7,0.0,502.973168773,1.0,42.76,2.0,0.0,0.0
11567,Oxiracetam,,N06BX,N06B,N06,N,158.157,-2.6,477.0,0.48,1.0,14.61,36.27,1.0,2.0,2.0,83.63,-2.8,0.0,158.06914219,0.0,14.76,3.0,0.0,1.0
11568,Promegestone,,G03DB,G03D,G03,G,326.48,4.66,0.00772,-4.6,1.0,19.0,97.94,4.0,0.0,2.0,34.14,-4.7,1.0,326.224580206,0.0,38.7,2.0,0.0,1.0
11571,Phenoperidine,,N01AH,N01A,N01,N,367.489,3.61,0.0384,-4.0,1.0,14.44,107.92,3.0,1.0,8.0,49.77,8.62,1.0,367.214743798,1.0,41.9,3.0,1.0,1.0
11572,Phenazocine,,N02AD,N02A,N02,N,321.464,4.08,0.00743,-4.6,1.0,9.96,100.05,4.0,1.0,3.0,23.47,10.86,1.0,321.209264493,0.0,37.92,2.0,1.0,1.0
11574,Tiocarlide,,J04AD,J04A,J04,J,400.58,6.92,0.000298,-6.1,1.0,12.62,123.81,2.0,2.0,10.0,42.52,-4.5,0.0,400.218449452,0.0,47.34,2.0,0.0,0.0
11575,Umifenovir,solid,J05AX,J05A,J05,J,477.42,3.75,0.00678,-4.8,1.0,6.01,124.41,3.0,1.0,8.0,54.7,9.87,1.0,476.076927,1.0,48.17,3.0,0.0,1.0
11576,Flumedroxone,,N02CB,N02C,N02,N,398.466,3.97,0.00796,-4.7,1.0,12.38,99.51,4.0,1.0,2.0,54.37,-3.8,1.0,398.206879283,0.0,40.24,3.0,0.0,1.0
11578,Carbaspirin calcium,,N02BA,N02B,N02,N,458.436,1.24,0.00848,-4.7,1.0,3.41,55.28,2.0,0.0,6.0,66.43,-7.1,1.0,458.0638211,0.0,16.51,3.0,-1.0,1.0
11579,Ticlatone,,D01AE,D01A,D01,D,185.63,1.96,0.734,-2.4,1.0,9.34,44.31,2.0,1.0,0.0,29.1,-8.5,0.0,184.9702126,0.0,16.81,1.0,0.0,1.0
11581,Mifamurtide,solid,L03AX,L03A,L03,L,1277.515,5.57,0.00132,-6.0,0.0,1.9,314.96,0.0,9.0,58.0,386.77,-3.5,0.0,1276.74102124,0.0,139.44,15.0,-1.0,0.0
11582,Melagatran,,B01AE,B01A,B01,B,429.5126,-1.3,0.117,-3.6,1.0,3.2,125.7,3.0,5.0,9.0,148.61,11.48,0.0,429.237604505,1.0,46.84,7.0,1.0,1.0
11583,Clorexolone,,C03BA,C03B,C03,C,328.81,2.03,0.0803,-3.6,1.0,8.85,81.46,3.0,1.0,2.0,80.47,-1.2,1.0,328.0648413,0.0,33.36,3.0,0.0,1.0
11586,Potassium gluconate,solid,A12BA,A12B,A12,A,234.245,-3.4,833.0,0.55,1.0,3.39,49.11,0.0,5.0,5.0,141.28,-3.0,0.0,234.01418418,0.0,16.62,7.0,-1.0,1.0
11587,Tetragalacturonic acid hydroxymethylester,,B02BC,B02B,B02,B,842.615,-8.7,122.0,-0.84,0.0,11.18,156.12,4.0,14.0,18.0,453.03,-3.7,0.0,842.181175332,1.0,72.57,25.0,0.0,0.0
11588,Selenium (75Se) norcholesterol,,V09XX,V09X,V09,V,475.614,6.31,0.000337,-6.2,1.0,18.19,138.28,4.0,1.0,7.0,20.23,-1.4,0.0,475.293039737,1.0,54.58,2.0,0.0,0.0
11589,Fabomotizole,,N05BX,N05B,N05,N,307.41,2.31,0.178,-3.2,1.0,10.79,85.71,3.0,1.0,6.0,50.38,6.67,1.0,307.135448102,1.0,34.94,4.0,0.0,1.0
11591,Carbuterol,,R03CC,R03C,R03,R,267.329,-0.45,0.858,-2.5,1.0,8.53,74.59,1.0,5.0,5.0,107.61,9.78,0.0,267.158291548,0.0,28.95,4.0,1.0,1.0
11592,Aluminium glycinate,,A02AB,A02A,A02,A,153.07,-3.4,30.6,-0.64,1.0,2.31,26.84,0.0,1.0,1.0,66.15,9.24,0.0,153.0217859,0.0,6.25,3.0,0.0,1.0
11593,Oxolinic acid,,J01MB,J01M,J01,J,261.2301,1.35,1.91,-2.1,1.0,5.39,65.84,3.0,1.0,2.0,76.07,-4.3,1.0,261.063722467,0.0,25.52,6.0,-1.0,1.0
11594,Ethyl hydroxybenzoate,,D01AE,D01A,D01,D,166.1739,2.03,2.49,-1.8,1.0,8.5,44.81,1.0,1.0,3.0,46.53,-6.1,1.0,166.062994186,0.0,17.23,2.0,0.0,1.0
11597,Methoserpidine,,C02AA,C02A,C02,C,608.688,3.53,0.0113,-4.7,1.0,16.65,161.42,6.0,1.0,10.0,117.78,7.03,0.0,608.273380876,1.0,66.18,8.0,1.0,0.0
11598,Protiofate,,G01AX,G01A,G01,G,288.31,4.48,0.27,-3.0,1.0,6.29,69.29,1.0,2.0,8.0,93.06,-4.5,1.0,288.066759409,0.0,29.71,4.0,-1.0,1.0
11601,Tiracizine,,C01EB,C01E,C01,C,367.449,3.4,0.0501,-3.9,1.0,13.05,106.76,3.0,1.0,5.0,61.88,7.11,1.0,367.189591677,0.0,40.26,4.0,1.0,1.0
11604,Cefbuperazone,,J01DC,J01D,J01,J,627.65,-2.0,1.11,-2.8,0.0,3.37,159.47,4.0,4.0,10.0,229.49,-1.5,0.0,627.152965898,1.0,60.39,12.0,-1.0,0.0
11605,Ferrous tartrate,,B03AA,B03A,B03,B,203.915,-1.8,94.8,-0.43,1.0,2.72,47.89,0.0,2.0,3.0,120.72,-4.3,0.0,203.935724,0.0,10.83,6.0,-2.0,1.0
11606,Acetoxolone,,A02BX,A02B,A02,A,512.731,6.47,0.000555,-6.0,0.0,4.44,143.42,5.0,1.0,3.0,80.67,-5.1,0.0,512.350174646,0.0,59.68,4.0,-1.0,0.0
11607,Metisazone,,J05AA,J05A,J05,J,234.28,0.8,0.248,-3.0,1.0,11.49,65.18,2.0,2.0,1.0,70.72,-1.3,1.0,234.057532132,0.0,23.97,2.0,0.0,1.0
11608,Pridinol,,M03BX,M03B,M03,M,295.426,3.7,0.0192,-4.2,1.0,13.36,92.27,3.0,1.0,5.0,23.47,9.34,1.0,295.193614429,0.0,34.68,2.0,1.0,1.0
11609,Loprazolam,,N05CD,N05C,N05,N,464.904,2.68,0.0917,-3.7,1.0,19.13,126.87,5.0,0.0,3.0,97.33,7.66,1.0,464.136366275,0.0,47.92,7.0,1.0,1.0
11610,Methylthiouracil,,H03BA,H03B,H03,H,142.18,0.24,1.9,-1.9,1.0,8.09,39.78,1.0,2.0,0.0,41.13,-3.2,0.0,142.020083995,0.0,13.76,1.0,0.0,1.0
11611,Ethacizine,,C01BC,C01B,C01,C,413.54,4.0,0.00945,-4.6,1.0,12.9,119.3,3.0,1.0,8.0,61.88,9.7,1.0,413.177312915,1.0,44.86,4.0,1.0,1.0
11614,Alcuronium,,M03AA,M03A,M03,M,666.909,-4.3,0.000244,-6.5,1.0,15.3,226.64,11.0,2.0,6.0,46.94,1.52,0.0,666.392279706,1.0,75.98,4.0,2.0,0.0
11616,Aloglutamol,,A02AB,A02A,A02,A,377.2786,-4.3,49.7,-0.71,1.0,11.68,42.47,0.0,7.0,10.0,167.91,-2.8,0.0,377.111388678,0.0,21.74,8.0,0.0,0.0
11617,Lorajmine,,C01BA,C01B,C01,C,402.92,2.83,0.438,-3.0,1.0,13.33,106.47,6.0,1.0,4.0,53.01,7.27,1.0,402.1710204,0.0,42.62,4.0,1.0,1.0
11623,Benorilate,,N02BA,N02B,N02,N,313.309,2.48,0.0141,-4.4,1.0,14.66,83.86,2.0,1.0,6.0,81.7,-4.4,1.0,313.095022587,0.0,31.93,3.0,0.0,1.0
11625,Tenonitrozole,,P01AX,P01A,P01,P,255.27,2.43,0.21,-3.1,1.0,10.08,59.65,2.0,1.0,3.0,87.81,-4.2,1.0,254.977233381,0.0,22.93,4.0,0.0,1.0
11626,Propicillin,,J01CE,J01C,J01,J,378.44,1.85,0.22,-3.2,1.0,3.39,94.79,3.0,2.0,6.0,95.94,-4.9,1.0,378.12494299,1.0,38.06,5.0,-1.0,1.0
11627,Niridazole,,P02BX,P02B,P02,P,214.2,0.24,2.21,-2.0,1.0,15.52,45.8,2.0,1.0,2.0,88.37,-4.4,1.0,214.016061243,0.0,18.6,4.0,0.0,1.0
11630,Formocortal,,S01BA,S01B,S01,S,569.06,2.07,0.00875,-4.8,1.0,13.64,141.36,5.0,1.0,8.0,108.36,-3.4,0.0,568.223924,1.0,58.69,7.0,0.0,0.0
11631,Fluanisone,,N05AD,N05A,N05,N,356.441,3.67,0.091,-3.6,1.0,16.4,102.57,3.0,0.0,7.0,32.78,7.18,1.0,356.190006216,1.0,38.76,4.0,1.0,1.0
11632,Tiemonium iodide,,A03AB,A03A,A03,A,445.36,-1.6,0.00124,-5.6,1.0,12.82,102.01,3.0,1.0,5.0,29.46,-3.8,0.0,445.05725,0.0,35.08,2.0,1.0,1.0
11633,Cefozopran,,J01DE,J01D,J01,J,515.52,-4.3,0.024,-4.4,1.0,2.74,147.37,5.0,2.0,7.0,184.11,0.074,0.0,515.079407031,1.0,47.59,10.0,0.0,0.0
11636,Oxantel,,P02CC,P02C,P02,P,216.284,1.28,0.659,-2.5,1.0,9.39,66.9,2.0,1.0,2.0,35.83,10.9,1.0,216.126263143,0.0,24.63,3.0,1.0,1.0
11638,Dimethylaminopropionylphenothiazine,,A03AC,A03A,A03,A,298.4,3.41,0.0303,-4.0,1.0,17.21,88.36,3.0,0.0,2.0,23.55,7.31,1.0,298.113984382,0.0,32.1,2.0,1.0,1.0
11639,Bekanamycin,,J01GB,J01G,J01,J,483.5139,-7.2,75.9,-0.8,0.0,12.49,107.79,3.0,11.0,6.0,288.4,9.56,0.0,483.254042429,1.0,47.72,15.0,5.0,0.0
11640,Cridanimod,,L03AX,L03A,L03,L,253.2527,2.6,0.197,-3.1,1.0,3.68,70.04,3.0,1.0,2.0,57.61,-3.2,1.0,253.073893223,0.0,25.57,4.0,-1.0,1.0
11641,Metahexamide,,A10BB,A10B,A10,A,311.4,1.94,0.228,-3.1,1.0,4.32,82.11,2.0,3.0,2.0,101.29,2.21,1.0,311.130362722,0.0,32.51,4.0,-1.0,1.0
11642,Mosapramine,,N05AX,N05A,N05,N,479.07,4.81,0.0179,-4.4,1.0,11.7,138.73,6.0,1.0,4.0,38.82,8.65,0.0,478.2499395,0.0,53.79,4.0,1.0,1.0
11643,Carboquone,,L01AC,L01A,L01,L,321.333,-0.37,16.4,-1.3,1.0,15.21,83.51,3.0,1.0,7.0,101.71,-4.2,1.0,321.132470724,1.0,32.12,6.0,0.0,1.0
11646,Naftazone,,C05CX,C05C,C05,C,215.212,1.3,0.31,-2.8,1.0,11.64,59.76,2.0,2.0,1.0,84.55,-1.2,1.0,215.069476542,0.0,21.2,3.0,0.0,1.0
11647,Butalamine,,C04AX,C04A,C04,C,316.449,4.92,0.0705,-3.6,1.0,11.54,107.52,2.0,1.0,11.0,54.19,8.24,1.0,316.226311538,0.0,38.73,4.0,1.0,1.0
11648,Cefpirome,,J01DE,J01D,J01,J,514.577,-4.0,0.00721,-4.9,1.0,2.67,141.3,5.0,2.0,7.0,153.92,3.54,0.0,514.109309224,1.0,50.94,8.0,0.0,0.0
11651,Quingestanol,,G03AC,G03A,G03,G,366.545,4.32,0.00211,-5.2,1.0,17.59,111.13,5.0,1.0,2.0,29.46,-1.7,1.0,366.255880335,0.0,43.67,2.0,0.0,1.0
11652,Clometocillin,,J01CE,J01C,J01,J,433.3,2.22,0.0282,-4.2,1.0,3.26,100.23,3.0,2.0,5.0,95.94,-4.2,1.0,432.0313483,0.0,40.62,5.0,-1.0,1.0
11653,Niaprazine,,N05CM,N05C,N05,N,356.445,2.21,0.171,-3.3,1.0,13.95,101.94,3.0,1.0,6.0,48.47,7.9,1.0,356.201239604,1.0,38.7,4.0,1.0,1.0
11655,Tacalcitol,,D05AX,D05A,D05,D,416.646,4.51,0.0105,-4.6,1.0,14.39,126.29,3.0,3.0,6.0,60.69,-1.1,0.0,416.329045277,1.0,51.11,3.0,0.0,1.0
11657,Acetyldigoxin,,C01AA,C01A,C01,C,822.986,2.81,0.0674,-4.1,0.0,7.15,202.38,8.0,5.0,9.0,209.13,-3.0,0.0,822.440171425,1.0,88.76,13.0,0.0,0.0
11658,Tretoquinol,,R03CC,R03C,R03,R,345.395,2.24,0.0986,-3.5,1.0,9.53,95.0,3.0,3.0,5.0,80.18,8.52,1.0,345.157622845,0.0,37.16,6.0,1.0,1.0
11659,Sulbenicillin,,J01CA,J01C,J01,J,414.45,0.38,0.741,-2.8,1.0,-1.1,94.51,3.0,3.0,5.0,141.08,-6.4,1.0,414.055543276,0.0,38.13,7.0,-2.0,1.0
11661,Penthienate,,A03AB,A03A,A03,A,340.5,-0.73,0.00162,-5.4,1.0,11.18,104.9,2.0,1.0,9.0,46.53,-4.5,0.0,340.194091424,0.0,38.73,2.0,1.0,1.0
11662,Bromochlorosalicylanilide,,D01AE,D01A,D01,D,326.57,4.13,0.0168,-4.3,1.0,7.49,76.0,2.0,2.0,2.0,49.33,-4.3,1.0,324.950519,0.0,27.4,2.0,0.0,1.0
11663,Ambazone,,R02AA,R02A,R02,R,237.29,0.29,0.0951,-3.4,1.0,11.64,89.43,1.0,5.0,2.0,124.67,8.07,1.0,237.079664556,0.0,24.14,5.0,1.0,1.0
11665,Sulfathiourea,,J01EB,J01E,J01,J,231.29,0.3,0.344,-2.8,1.0,6.13,59.15,1.0,3.0,1.0,98.21,2.25,1.0,231.01361889,0.0,21.75,3.0,-1.0,1.0
11667,Ioglicic acid,,V08AA,V08A,V08,V,670.968,1.62,0.102,-3.8,1.0,2.13,115.04,1.0,4.0,5.0,124.6,-2.2,0.0,670.79111,0.0,43.85,5.0,-1.0,0.0
11668,Tibezonium iodide,,A01AB,A01A,A01,A,601.61,3.17,1.28e-05,-7.7,1.0,9.79,161.62,4.0,0.0,9.0,24.72,2.1,0.0,601.10824,1.0,56.27,2.0,1.0,0.0
11669,Gepefrine,,C01CA,C01C,C01,C,151.209,0.97,3.44,-1.6,1.0,10.36,45.69,1.0,2.0,2.0,46.25,9.71,0.0,151.099714043,0.0,17.0,2.0,1.0,1.0
11672,Eosin,,D08AX,D08A,D08,D,691.859,5.99,0.00126,-5.7,0.0,3.39,155.26,4.0,0.0,1.0,89.49,1.98,0.0,687.674414,0.0,46.14,5.0,-2.0,0.0
11673,Sodium tartrate,solid,A06AD,A06A,A06,A,194.05,-1.8,779.0,0.6,1.0,2.72,47.89,0.0,2.0,3.0,120.72,-4.3,0.0,193.98032641,0.0,10.83,6.0,-2.0,1.0
11674,Fenquizone,,C03BA,C03B,C03,C,337.78,2.26,0.102,-3.5,1.0,9.53,84.57,3.0,3.0,2.0,101.29,-1.9,1.0,337.0287901,0.0,32.36,4.0,0.0,1.0
11676,Metenolone,,A14AA,A14A,A14,A,302.451,3.65,0.022,-4.1,1.0,19.38,88.98,4.0,1.0,0.0,37.3,-0.88,1.0,302.224580204,0.0,35.88,2.0,0.0,1.0
11677,Tritoqualine,,R06AX,R06A,R06,R,500.548,3.31,0.204,-3.4,1.0,13.29,132.49,5.0,1.0,8.0,110.94,7.06,0.0,500.215865998,1.0,52.8,9.0,1.0,0.0
11679,Quifenadine,,R06AX,R06A,R06,R,293.41,3.12,0.0553,-3.7,1.0,13.17,90.23,4.0,1.0,3.0,23.47,9.0,1.0,293.177964365,0.0,33.21,2.0,1.0,1.0
11680,Xibornol,,J01XX,J01X,J01,J,258.405,5.36,0.00348,-4.9,1.0,10.86,80.51,3.0,1.0,1.0,20.23,-5.2,1.0,258.198365457,0.0,31.33,1.0,0.0,0.0
11684,Hydroquinine,,M09AA,M09A,M09,M,326.44,2.82,0.312,-3.0,1.0,13.89,94.65,4.0,1.0,4.0,45.59,9.18,1.0,326.199428085,0.0,36.79,4.0,1.0,1.0
11687,Cypermethrin,,P03BA,P03B,P03,P,416.297,5.44,0.000864,-5.7,1.0,10.65,119.09,3.0,0.0,7.0,59.32,-3.7,1.0,415.074198893,1.0,41.08,2.0,0.0,0.0
11688,Pirprofen,,M01AE,M01A,M01,M,251.71,3.22,1.21,-2.3,1.0,4.25,69.52,2.0,1.0,3.0,40.54,-1.2,1.0,251.0713064,0.0,25.98,3.0,-1.0,1.0
11692,Sulfaguanidine,,A07AB,A07A,A07,A,214.24,-0.52,0.805,-2.4,1.0,10.53,63.75,1.0,4.0,1.0,122.06,7.72,0.0,214.052446752,0.0,20.38,5.0,1.0,1.0
11694,Halometasone,,D07AC,D07A,D07,D,444.9,1.73,0.0356,-4.1,1.0,12.42,107.11,4.0,3.0,2.0,94.83,-3.3,1.0,444.151508,0.0,43.35,5.0,0.0,1.0
11695,Camostat,solid,B02AB,B02A,B02,B,398.4125,1.51,0.0626,-3.8,1.0,19.54,117.77,2.0,3.0,9.0,134.81,8.54,1.0,398.159019834,0.0,41.92,6.0,1.0,1.0
11696,Nifurtoinol,,J01XE,J01X,J01,J,268.185,-0.58,0.544,-2.7,1.0,11.84,58.11,2.0,1.0,4.0,129.49,-2.2,0.0,268.044383994,0.0,23.68,6.0,0.0,1.0
11698,Meglumine antimoniate,,P01CB,P01C,P01,P,365.98,-3.4,240.0,0.09,1.0,12.65,44.84,0.0,6.0,6.0,113.18,9.11,0.0,365.00705,0.0,19.52,6.0,1.0,0.0
11699,Methylpentynol,,N05CX,N05C,N05,N,98.145,0.93,0.632,-2.2,1.0,15.82,29.42,0.0,1.0,1.0,20.23,-2.4,0.0,98.073164942,0.0,11.39,1.0,0.0,1.0
11705,Penamecillin,,J01CE,J01C,J01,J,406.45,1.09,0.0867,-3.7,1.0,11.85,99.55,3.0,1.0,8.0,102.01,-2.8,1.0,406.11985761,1.0,41.56,4.0,0.0,1.0
11706,Bemegride,,R07AB,R07A,R07,R,155.197,0.48,24.9,-0.79,1.0,11.8,40.51,1.0,1.0,1.0,46.17,-5.9,0.0,155.094628663,0.0,16.22,2.0,0.0,1.0
11707,Ioglycamic acid,,V08AC,V08A,V08,V,1127.712,6.84,0.00591,-5.3,0.0,2.02,176.42,2.0,4.0,8.0,142.03,-4.2,0.0,1127.47562,0.0,64.58,7.0,-2.0,0.0
11710,Piromidic acid,,J01MB,J01M,J01,J,288.307,1.59,1.21,-2.4,1.0,5.61,78.97,3.0,1.0,3.0,86.63,3.03,1.0,288.122240391,0.0,29.78,7.0,-1.0,1.0
11712,Bioallethrin,liquid,P03AC,P03A,P03,P,302.414,4.06,4.6,,1.0,19.47,88.71,2.0,0.0,6.0,43.37,-5.9,1.0,302.188194697,0.0,34.56,2.0,0.0,1.0
11713,Trolamine,liquid,D03AX,D03A,D03,D,149.1882,-1.9,497.0,0.52,1.0,15.12,38.86,0.0,3.0,6.0,63.93,8.44,0.0,149.105193351,0.0,16.38,4.0,1.0,1.0
11714,Tidiacic arginine,,A05BA,A05B,A05,A,351.38,-3.2,20.6,-0.93,1.0,2.41,53.92,1.0,5.0,7.0,125.22,12.41,0.0,351.12125459,0.0,17.79,6.0,1.0,1.0
11715,Magnesium gluconate,solid,A12CC,A12C,A12,A,450.629,-3.4,43.2,-0.98,1.0,3.39,49.11,0.0,5.0,10.0,141.28,-3.0,0.0,450.10712646,0.0,16.62,7.0,-1.0,1.0
11716,Obidoxime,,V03AB,V03A,V03,V,288.3018,-6.9,0.00106,-5.5,1.0,7.51,79.62,2.0,2.0,6.0,82.17,1.05,0.0,288.122240398,0.0,30.47,5.0,2.0,1.0
11717,Glycyrrhizic acid,solid,A05BA,A05B,A05,A,822.942,3.13,0.0545,-4.2,0.0,2.96,198.83,7.0,8.0,7.0,267.04,-3.7,0.0,822.403785916,1.0,86.31,16.0,-3.0,0.0
11720,Mephenoxalone,,N05BX,N05B,N05,N,223.228,1.19,4.93,-1.7,1.0,12.68,55.7,2.0,1.0,4.0,56.79,-4.6,1.0,223.084457903,0.0,22.22,3.0,0.0,1.0
11721,Iocarmic acid,,V08AA,V08A,V08,V,1253.871,6.4,0.00907,-5.1,0.0,1.83,211.93,2.0,6.0,11.0,191.0,-1.4,0.0,1253.55493,0.0,82.3,8.0,-2.0,0.0
11722,Peruvoside,,C01AX,C01A,C01,C,548.673,2.02,0.0791,-3.8,1.0,7.18,140.05,6.0,3.0,5.0,131.75,0.27,0.0,548.298532997,0.0,58.9,8.0,0.0,0.0
11723,Epanolol,,C07AB,C07A,C07,C,369.421,0.91,0.0613,-3.8,1.0,9.58,101.03,2.0,4.0,10.0,114.61,8.71,1.0,369.168856233,0.0,39.5,6.0,1.0,1.0
11725,Fenpiverinium,,A03AB,A03A,A03,A,337.486,-0.56,2.66e-05,-7.2,1.0,16.19,114.55,3.0,1.0,6.0,43.09,-3.3,0.0,337.227439982,1.0,38.92,1.0,1.0,1.0
11728,Dexrabeprazole,,A02BC,A02B,A02,A,359.443,2.09,0.336,-3.0,1.0,9.35,98.07,3.0,1.0,8.0,77.1,4.24,1.0,359.130362243,1.0,39.48,5.0,0.0,1.0
11729,Aurotioprol,,M01CB,M01C,M01,M,390.15,-1.0,21.3,-1.3,1.0,-1.1,34.71,0.0,1.0,3.0,77.43,-3.2,0.0,389.927089,0.0,14.44,4.0,-1.0,1.0
11730,Monoxerutin,,C05CA,C05C,C05,C,654.574,-1.4,2.68,-2.4,0.0,7.13,150.92,5.0,10.0,9.0,274.75,-3.6,0.0,654.179599635,1.0,62.71,17.0,0.0,0.0
11732,Lidoflazine,,C08EX,C08E,C08,C,491.627,6.58,0.000887,-5.7,1.0,13.78,144.13,4.0,1.0,9.0,35.58,7.76,0.0,491.274819085,1.0,54.75,3.0,1.0,0.0
11734,Domiodol,,R05CB,R05C,R05,R,244.028,0.5,17.3,-1.2,1.0,14.6,40.63,1.0,1.0,2.0,38.69,-3.0,0.0,243.95964,0.0,16.88,3.0,0.0,1.0
11737,Ferric sodium citrate,,B03AB,B03A,B03,B,266.926,-1.3,1.48,-2.4,1.0,3.05,78.69,0.0,0.0,5.0,143.45,-4.2,0.0,266.920408,0.0,13.97,7.0,-3.0,1.0
11738,Rufloxacin,,J01MA,J01M,J01,J,363.407,0.3,0.96,-2.6,1.0,5.33,97.02,4.0,1.0,2.0,64.09,6.57,1.0,363.105290352,0.0,36.42,6.0,-1.0,1.0
11739,Sulfamethoxypyridazine,,J01ED,J01E,J01,J,280.3,0.47,0.325,-2.9,1.0,6.84,72.39,2.0,2.0,3.0,107.2,2.02,1.0,280.063011436,0.0,26.19,6.0,-1.0,1.0
11741,Tertatolol,,C07AA,C07A,C07,C,295.44,2.88,0.0221,-4.1,1.0,14.09,85.73,2.0,2.0,6.0,41.49,9.76,1.0,295.160599739,0.0,34.15,3.0,1.0,1.0
11742,Ibacitabine,,D06BB,D06B,D06,D,353.116,-0.91,3.31,-2.0,1.0,13.89,66.38,2.0,3.0,2.0,108.38,-2.0,0.0,352.98725,0.0,26.76,6.0,0.0,1.0
11743,Prenalterol,,C01CA,C01C,C01,C,225.288,0.8,2.61,-1.9,1.0,10.11,62.36,1.0,3.0,6.0,61.72,9.47,1.0,225.136493476,0.0,25.38,4.0,1.0,1.0
11744,Cefazedone,,J01DB,J01D,J01,J,548.43,1.11,0.0078,-4.8,1.0,3.19,128.82,4.0,2.0,7.0,132.8,0.24,0.0,546.9612375,1.0,49.55,8.0,-1.0,0.0
11746,Aluminium clofibrate,,C10AB,C10A,C10,C,471.26,2.9,0.000616,-5.9,1.0,3.37,63.45,2.0,0.0,6.0,49.36,-4.9,1.0,470.0479719,0.0,20.37,3.0,-1.0,1.0
11747,Xamoterol,,C01CX,C01C,C01,C,339.392,-0.82,3.46,-2.0,1.0,9.95,88.13,2.0,4.0,8.0,103.29,8.76,0.0,339.179420917,0.0,36.82,6.0,1.0,1.0
11749,Acemetacin,solid,M01AB,M01A,M01,M,415.83,3.15,0.00229,-5.3,1.0,3.26,105.66,3.0,1.0,7.0,94.83,-2.3,1.0,415.082265,1.0,41.23,5.0,-1.0,1.0
11750,Dixyrazine,,N05AB,N05A,N05,N,427.61,3.52,0.0327,-4.1,1.0,15.12,126.75,4.0,1.0,9.0,39.18,7.87,1.0,427.229348489,1.0,49.06,5.0,1.0,1.0
11751,Dropropizine,,R05DB,R05D,R05,R,236.315,0.61,97.1,-0.39,1.0,14.0,68.79,2.0,2.0,4.0,46.94,7.65,1.0,236.152477892,0.0,26.77,4.0,1.0,1.0
11752,Magnesium orotate,,A12CC,A12C,A12,A,334.483,-1.2,0.0526,-3.8,1.0,2.83,44.11,2.0,2.0,2.0,98.33,-6.0,0.0,334.00360487,0.0,12.01,4.0,-1.0,1.0
11755,Aluminium acetotartrate,,S02AA,S02A,S02,S,234.096,-1.8,90.8,-0.41,1.0,2.72,47.89,0.0,2.0,3.0,120.72,-4.3,0.0,233.9956307,0.0,10.83,6.0,-2.0,1.0
11756,Fipexide,,N06BX,N06B,N06,N,388.85,2.73,0.167,-3.4,1.0,16.56,101.46,4.0,0.0,5.0,51.24,6.09,1.0,388.1189849,0.0,40.49,5.0,0.0,1.0
11757,Penfluridol,,N05AG,N05A,N05,N,523.97,7.25,0.000747,-5.8,0.0,13.9,132.64,4.0,1.0,8.0,23.47,8.96,0.0,523.170133,1.0,50.67,2.0,1.0,0.0
11758,Clopamide,,C03BB,C03B,C03,C,345.84,1.59,0.139,-3.4,1.0,8.85,86.17,2.0,2.0,3.0,92.5,1.32,1.0,345.0913904,0.0,34.93,4.0,0.0,1.0
11759,Vinburnine,,C04AX,C04A,C04,C,294.398,2.74,0.175,-3.2,1.0,19.25,87.05,5.0,0.0,1.0,25.24,6.3,1.0,294.173213336,0.0,33.67,2.0,0.0,1.0
11761,Brodimoprim,,J01EA,J01E,J01,J,339.193,2.21,0.338,-3.0,1.0,17.33,82.67,2.0,2.0,4.0,96.28,7.16,1.0,338.037839,0.0,29.97,6.0,1.0,1.0
11763,Iodocholesterol (131I),,V09XA,V09X,V09,V,516.562,7.8,3.97e-05,-7.1,0.0,18.2,133.67,4.0,1.0,6.0,20.23,-1.4,0.0,516.253165237,1.0,55.14,1.0,0.0,0.0
11764,Demoxytocin,,H01BB,H01B,H01,H,992.18,-3.8,0.0427,-4.4,0.0,9.5,249.01,3.0,11.0,17.0,373.51,-6.0,0.0,991.425558925,1.0,100.81,12.0,0.0,0.0
11766,Calcium levulinate,,A12AA,A12A,A12,A,270.294,-0.069,1.82,-2.2,1.0,4.32,37.93,0.0,0.0,6.0,57.2,-7.3,0.0,270.0416291,0.0,10.8,3.0,-1.0,1.0
11767,Muzolimine,,C03CD,C03C,C03,C,272.13,2.14,0.166,-3.2,1.0,10.11,66.75,2.0,1.0,2.0,58.69,3.0,1.0,271.0279174,0.0,25.94,3.0,0.0,1.0
11768,Epomediol,,A05BA,A05B,A05,A,186.251,0.2,79.2,-0.37,1.0,13.61,48.58,2.0,2.0,0.0,49.69,-3.3,1.0,186.12559444,0.0,20.2,3.0,0.0,1.0
11769,Xipamide,,C03BA,C03B,C03,C,354.81,3.0,0.0246,-4.2,1.0,6.17,90.62,2.0,3.0,3.0,109.49,-3.7,1.0,354.0441058,0.0,34.43,4.0,-1.0,1.0
11770,Benzylthiouracil,,H03BA,H03B,H03,H,218.27,1.89,0.0504,-3.6,1.0,8.09,64.4,2.0,2.0,2.0,41.13,-3.2,1.0,218.051384124,0.0,22.27,1.0,0.0,1.0
11773,Tisopurine,,M04AA,M04A,M04,M,152.18,-0.12,0.677,-2.4,1.0,8.47,43.4,2.0,2.0,0.0,53.07,-0.17,0.0,152.015667319,0.0,13.91,3.0,1.0,1.0
11778,Bufylline,,R03DA,R03D,R03,R,269.305,-0.81,28.9,-0.8,1.0,11.44,43.62,2.0,1.0,1.0,69.3,2.44,0.0,269.148789492,0.0,16.83,3.0,0.0,1.0
11780,Talampicillin,,J01CA,J01C,J01,J,481.52,2.09,0.0433,-4.0,1.0,11.52,121.7,5.0,2.0,6.0,128.03,7.23,0.0,481.130756647,1.0,48.6,5.0,1.0,1.0
11781,Xenysalate,,D11AC,D11A,D11,D,313.397,4.3,0.244,-3.1,1.0,9.58,92.72,2.0,1.0,8.0,49.77,8.84,1.0,313.167793605,0.0,36.06,3.0,1.0,1.0
11782,Aspoxicillin,solid,J01CA,J01C,J01,J,493.54,-4.1,0.518,-3.0,1.0,3.18,119.56,3.0,6.0,8.0,191.16,7.04,0.0,493.163119403,1.0,48.38,8.0,0.0,0.0
11783,Carbromal,,N05CM,N05C,N05,N,237.097,1.39,0.976,-2.4,1.0,10.91,48.7,0.0,2.0,3.0,72.19,-7.5,1.0,236.016041,0.0,19.68,2.0,0.0,1.0
11784,Bibrocathol,,S01AX,S01A,S01,S,649.667,4.44,0.375,-3.2,1.0,6.26,81.61,1.0,0.0,0.0,46.12,-8.0,0.0,645.64632,0.0,23.03,2.0,-1.0,0.0
11787,Ceftezole,,J01DB,J01D,J01,J,440.47,-1.6,0.867,-2.7,1.0,2.88,115.42,4.0,2.0,7.0,156.09,-0.36,0.0,440.01436442,1.0,40.1,9.0,-1.0,1.0
11788,Meprotixol,,R05DB,R05D,R05,R,329.46,3.43,0.00681,-4.7,1.0,13.08,97.87,3.0,1.0,5.0,32.7,9.48,1.0,329.144950159,0.0,36.62,3.0,1.0,1.0
11789,Pipemidic acid,,J01MB,J01M,J01,J,303.3165,-1.8,0.746,-2.6,1.0,5.11,82.18,3.0,2.0,3.0,98.66,8.66,0.0,303.133139435,0.0,30.94,8.0,0.0,1.0
11790,Enprostil,,A02BB,A02B,A02,A,400.471,2.59,0.0149,-4.4,1.0,13.99,111.36,2.0,2.0,11.0,93.06,-2.9,1.0,400.188588622,0.0,43.51,5.0,0.0,1.0
11792,Etohexadiol,,P03BX,P03B,P03,P,146.23,1.16,48.3,-0.48,1.0,14.76,41.98,0.0,2.0,5.0,40.46,-2.6,0.0,146.13067982,0.0,17.44,2.0,0.0,1.0
11794,Cyfluthrin,,P03BA,P03B,P03,P,434.288,5.59,0.000657,-5.8,1.0,10.49,119.31,3.0,0.0,7.0,59.32,-3.8,1.0,433.064777066,1.0,41.2,2.0,0.0,0.0
11795,Calcium silicate,,A02AC,A02A,A02,A,230.288,-2.6,0.784,-2.5,1.0,9.82,9.14,0.0,3.0,0.0,83.75,-4.8,0.0,229.9227111,0.0,6.06,4.0,0.0,1.0
11796,Copper usnate,,G01AX,G01A,G01,G,405.849,2.39,0.0277,-4.2,1.0,7.47,109.65,3.0,0.0,2.0,123.63,-5.0,1.0,405.003551,0.0,33.12,7.0,0.0,1.0
11798,Ranimustine,,L01AD,L01A,L01,L,327.72,-1.4,15.5,-1.3,1.0,12.2,70.05,1.0,4.0,6.0,140.92,-3.6,0.0,327.0833276,0.0,29.55,7.0,0.0,1.0
11799,Methylatropine,,A03BB,A03B,A03,A,304.409,-2.6,0.00561,-4.8,1.0,15.15,96.73,3.0,1.0,5.0,46.53,-2.7,0.0,304.190720121,0.0,33.83,2.0,1.0,1.0
11802,Metampicillin,,J01CA,J01C,J01,J,361.42,-0.38,0.109,-3.5,1.0,3.24,90.87,3.0,2.0,5.0,99.07,4.14,1.0,361.109627278,0.0,36.36,5.0,-1.0,1.0
11803,Doxefazepam,,N05CD,N05C,N05,N,348.756,2.24,0.0626,-3.8,1.0,10.67,87.52,3.0,2.0,3.0,73.13,-2.3,1.0,348.067698236,0.0,33.1,4.0,0.0,1.0
11804,Noxytiolin,,B05CA,B05C,B05,B,120.17,-0.61,6.4,-1.3,1.0,13.86,32.03,0.0,3.0,1.0,44.29,-3.0,0.0,120.03573406,0.0,12.01,1.0,0.0,1.0
11805,Dipyrocetyl,,N02BA,N02B,N02,N,238.195,0.85,1.41,-2.2,1.0,3.16,55.58,1.0,1.0,5.0,89.9,-6.9,1.0,238.047738042,0.0,22.16,4.0,-1.0,1.0
11806,Hydroxyethylpromethazine,,R06AD,R06A,R06,R,329.48,-0.56,0.000583,-5.8,1.0,13.97,110.71,3.0,1.0,5.0,23.47,-3.3,0.0,329.168211027,0.0,37.44,2.0,1.0,1.0
11807,Clopenthixol,,N05AF,N05A,N05,N,400.97,4.22,0.0026,-5.2,1.0,15.59,127.0,4.0,1.0,5.0,26.71,8.03,1.0,400.1376123,0.0,45.29,3.0,1.0,1.0
11809,Cloprednol,,H02AB,H02A,H02,H,392.88,1.15,0.099,-3.6,1.0,12.58,104.33,4.0,3.0,2.0,94.83,-2.9,1.0,392.1390516,0.0,40.42,5.0,0.0,1.0
11810,Pipenzolate,,A03CA,A03C,A03,A,354.469,-0.62,0.000371,-6.0,1.0,11.05,114.14,3.0,1.0,6.0,46.53,-4.5,0.0,354.206370186,1.0,39.33,2.0,1.0,1.0
11811,Etafenone,,C01DX,C01D,C01,C,325.452,4.38,0.0111,-4.5,1.0,16.33,99.76,2.0,0.0,10.0,29.54,8.53,1.0,325.204179113,0.0,38.46,3.0,1.0,1.0
11814,Fluorodopa (18F),solid,V09IX,V09I,V09,V,214.183,-1.6,2.39,-2.0,1.0,1.32,49.29,1.0,4.0,3.0,103.78,9.4,0.0,214.061920473,0.0,19.09,5.0,0.0,1.0
11820,Gamolenic acid,liquid,D11AX,D11A,D11,D,278.4296,6.06,0.000254,-6.0,0.0,4.92,89.64,0.0,1.0,13.0,37.3,,0.0,278.224580204,0.0,33.8,2.0,-1.0,0.0
11821,Nifuroxazide,,A07AX,A07A,A07,A,275.22,1.75,0.105,-3.4,1.0,8.33,68.18,2.0,2.0,4.0,117.97,-1.7,1.0,275.054220402,0.0,26.0,5.0,0.0,1.0
11822,Fluclorolone,,D07AC,D07A,D07,D,447.32,1.72,0.0202,-4.4,1.0,11.76,107.0,4.0,3.0,2.0,94.83,-3.3,1.0,446.1063075,0.0,42.62,5.0,0.0,1.0
11823,Demegestone,,G03DB,G03D,G03,G,312.4458,3.96,0.0111,-4.4,1.0,18.42,93.31,4.0,0.0,1.0,34.14,-4.7,1.0,312.20893014,0.0,36.71,2.0,0.0,1.0
11825,Imidazole salicylate,solid,N02BA,N02B,N02,N,206.201,1.98,11.3,-1.1,1.0,2.79,35.3,2.0,2.0,1.0,57.53,-6.3,0.0,206.06914219,0.0,12.82,3.0,-1.0,1.0
11826,Iopentol,solid,V08AB,V08A,V08,V,835.1644,-1.3,0.445,-3.3,0.0,11.73,153.59,1.0,7.0,13.0,188.89,-1.7,0.0,834.895959769,0.0,62.41,9.0,0.0,0.0
11828,Fosfructose,solid,C01EB,C01E,C01,C,340.1157,-3.5,13.6,-1.4,0.0,1.01,59.31,0.0,7.0,9.0,211.28,-3.5,0.0,339.996048936,0.0,25.52,10.0,-4.0,0.0
11830,Dehydroemetine,solid,P01AX,P01A,P01,P,478.633,4.12,0.0078,-4.8,1.0,,140.26,5.0,1.0,7.0,52.19,9.04,0.0,478.283157712,1.0,55.35,6.0,2.0,1.0
11831,Etynodiol,solid,G03DC,G03D,G03,G,300.442,2.81,0.00785,-4.6,1.0,17.52,88.32,4.0,2.0,0.0,40.46,-1.4,1.0,300.208930142,0.0,35.26,2.0,0.0,1.0
11832,Fluticasone,solid,R03BA,R03B,R03,R,444.51,2.58,0.0344,-4.1,1.0,12.19,107.87,4.0,2.0,3.0,74.6,-3.4,1.0,444.158215012,0.0,43.32,4.0,0.0,1.0
11836,Lormetazepam,solid,N05CD,N05C,N05,N,335.185,3.39,0.0164,-4.3,1.0,10.68,85.82,3.0,1.0,1.0,52.9,-2.2,1.0,334.027583052,0.0,32.2,3.0,0.0,1.0
11837,Fenofibric acid,solid,C10AB,C10A,C10,C,318.75,4.36,0.0051,-4.8,1.0,3.1,83.19,2.0,1.0,5.0,63.6,-4.9,1.0,318.0658867,0.0,32.42,4.0,-1.0,1.0
11838,Enasidenib,solid,L01XX,L01X,L01,L,473.383,4.59,0.0366,-4.1,1.0,11.37,118.37,3.0,3.0,8.0,108.74,3.82,1.0,473.139877173,1.0,41.41,8.0,0.0,1.0
11842,Pibrentasvir,solid,J05AP,J05A,J05,J,1113.201,7.63,0.00557,-5.3,0.0,10.66,284.83,10.0,4.0,17.0,199.58,5.3,0.0,1112.490699908,1.0,113.13,10.0,0.0,0.0
11843,Glecaprevir,solid,J05AP,J05A,J05,J,838.87,3.95,0.0463,-4.3,1.0,3.74,194.55,7.0,3.0,6.0,195.22,-1.2,0.0,838.298310911,1.0,78.89,10.0,-1.0,0.0
11882,Candesartan,solid,C09DA,C09D,C09,C,440.454,4.68,0.00745,-4.8,1.0,3.44,134.92,5.0,2.0,7.0,118.81,1.5,0.0,440.159688536,1.0,45.29,7.0,-2.0,1.0
11893,Netarsudil,liquid,S01EE,S01E,S01,S,453.542,4.73,0.000277,-6.2,1.0,13.49,134.66,4.0,2.0,8.0,94.31,8.69,0.0,453.205241741,1.0,51.09,4.0,1.0,1.0
11903,Piperaquine,solid,P01BF,P01B,P01,P,535.52,5.27,0.0167,-4.5,0.0,,153.42,6.0,0.0,6.0,38.74,8.47,0.0,534.2065505,1.0,59.56,6.0,3.0,0.0
11927,Patent Blue,solid,V04CX,V04C,V04,V,561.69,2.4,0.00268,-5.4,1.0,-2.6,173.8,3.0,3.0,9.0,135.22,5.33,0.0,561.172370179,1.0,59.14,8.0,-1.0,0.0
11948,Epitizide,solid,C03EA,C03E,C03,C,425.84,0.88,0.346,-3.1,1.0,9.05,85.62,2.0,3.0,5.0,118.36,-3.2,1.0,424.9552316,0.0,35.67,5.0,0.0,1.0
11956,Baloxavir marboxil,solid,J05AX,J05A,J05,J,571.55,3.38,0.0412,-4.1,1.0,,140.76,6.0,0.0,6.0,97.85,-0.6,0.0,571.122477593,1.0,53.87,8.0,0.0,0.0
11965,Choline salicylate,solid,N02BA,N02B,N02,N,241.287,1.98,0.396,-2.8,1.0,2.79,46.13,1.0,1.0,3.0,60.36,-6.3,1.0,241.131408096,0.0,12.38,3.0,-1.0,1.0
11977,Bromotheophylline,solid,R03DA,R03D,R03,R,259.063,0.29,3.92,-1.8,1.0,5.58,52.56,2.0,1.0,0.0,69.3,-3.0,1.0,257.975238,0.0,20.67,3.0,-1.0,1.0
11984,Nordazepam,solid,N05BA,N05B,N05,N,270.714,3.21,0.0219,-4.1,1.0,12.3,76.7,3.0,1.0,1.0,41.46,2.85,1.0,270.055990691,0.0,27.41,2.0,0.0,1.0
11988,Acetyl sulfisoxazole,solid,G01AE,G01A,G01,G,309.34,0.72,0.136,-3.4,1.0,18.1,77.48,2.0,1.0,2.0,106.5,1.61,1.0,309.078327149,0.0,30.24,5.0,0.0,1.0
12076,Tenofovir,solid,,,,,287.2123,-3.4,1.87,-2.2,1.0,1.35,67.54,2.0,3.0,5.0,136.38,3.74,0.0,287.078340473,0.0,25.54,8.0,-1.0,1.0
12164,Telotristat,,A16AX,A16A,A16,A,546.94,2.76,0.00348,-5.2,1.0,1.69,135.46,4.0,3.0,9.0,142.17,9.42,0.0,546.1394008,1.0,51.02,8.0,0.0,0.0
12427,Zinc ascorbate,,C05AX,C05A,C05,C,415.61,-1.9,43.4,-0.98,1.0,4.36,47.58,2.0,3.0,4.0,110.05,-3.0,0.0,413.977668,0.0,14.58,5.0,-1.0,1.0
12430,Ferrous gluconate,,B03AD,B03A,B03,B,446.139,-3.4,36.6,-1.1,1.0,3.39,49.11,0.0,5.0,10.0,141.28,-3.0,0.0,446.035891,0.0,16.62,7.0,-1.0,1.0
12432,Ferrous ascorbate,,B03AA,B03A,B03,B,406.077,-1.9,125.0,-0.36,1.0,4.36,58.13,2.0,2.0,4.0,112.88,-3.0,0.0,405.983462,0.0,14.09,5.0,-1.0,1.0
12442,Potassium,solid,C03AB,C03A,C03,C,39.0983,-0.13,340.0,,1.0,,0.8,0.0,0.0,0.0,0.0,,0.0,38.963706861,0.0,2.44,0.0,0.0,1.0
12443,Ferrous glycine sulfate,,B03AA,B03A,B03,B,302.041,-3.4,211.0,0.02,1.0,2.31,26.84,0.0,1.0,2.0,66.15,9.24,0.0,301.950728129,0.0,6.25,3.0,0.0,1.0
12454,Mometasone furoate,solid,D07AC,D07A,D07,D,521.429,5.06,0.0108,-4.7,0.0,13.84,132.5,5.0,1.0,5.0,93.81,-3.1,0.0,520.141944106,0.0,52.31,4.0,0.0,0.0
12456,Magnesium levulinate,,A12CC,A12C,A12,A,254.521,-0.069,1.22,-2.3,1.0,4.32,37.93,0.0,0.0,6.0,57.2,-7.3,0.0,254.06407987,0.0,10.79,3.0,-1.0,1.0
12457,Magnesium lactate,,A12CC,A12C,A12,A,202.445,-0.47,77.6,-0.42,1.0,3.78,29.68,0.0,1.0,2.0,60.36,-3.7,0.0,202.03277995,0.0,7.65,3.0,-1.0,1.0
12462,Tetraferric tricitrate decahydrate,solid,V03AE,V03A,V03,V,967.803,-1.3,0.503,-3.2,0.0,3.05,78.69,0.0,0.0,15.0,143.45,-4.2,0.0,967.832498,0.0,13.97,7.0,-3.0,0.0
12475,Zinc chloride,solid,C05AX,C05A,C05,C,136.315,0.61,46.1,-0.47,1.0,-7.0,5.62,0.0,0.0,0.0,0.0,,0.0,133.866851992,0.0,2.39,0.0,-1.0,1.0
12480,Hydrocortisone aceponate,,D07AC,D07A,D07,D,460.567,2.86,0.00526,-4.9,1.0,14.81,120.33,4.0,1.0,7.0,106.97,-2.8,1.0,460.246103499,1.0,49.74,5.0,0.0,1.0
12482,Hydrocortisone butyrate,,D07AB,D07A,D07,D,432.557,2.86,0.0136,-4.5,1.0,13.75,115.78,4.0,2.0,6.0,100.9,-2.8,1.0,432.251188879,1.0,47.74,5.0,0.0,1.0
12485,Hydrocortisone probutate,,D07AB,D07A,D07,D,488.613,4.0,0.00283,-5.2,1.0,14.81,129.56,4.0,1.0,9.0,106.97,-2.8,0.0,488.277403634,1.0,53.93,5.0,0.0,1.0
12510,Ivosidenib,solid,L01XX,L01X,L01,L,582.97,3.01,0.0208,-4.4,1.0,12.14,139.33,5.0,1.0,7.0,119.29,1.81,0.0,582.1394008,1.0,53.42,6.0,0.0,0.0
12511,Tedizolid,solid,J01XX,J01X,J01,J,370.344,2.12,0.382,-3.0,1.0,14.61,115.06,4.0,1.0,4.0,106.26,-1.7,1.0,370.11896653,0.0,36.84,7.0,0.0,1.0
12512,Hydroxyprogesterone,,G03FA,G03F,G03,G,330.4611,3.4,0.0293,-4.0,1.0,12.7,94.11,4.0,1.0,1.0,54.37,-3.8,1.0,330.219494826,0.0,37.9,3.0,0.0,1.0
12517,Eslicarbazepine,,N03AF,N03A,N03,N,254.2839,1.73,0.554,-2.7,1.0,14.1,72.29,3.0,2.0,0.0,66.56,-3.2,1.0,254.105527702,0.0,26.45,2.0,0.0,1.0
12538,Loteprednol,,S01BA,S01B,S01,S,394.889,2.52,0.0336,-4.1,1.0,12.01,102.65,4.0,2.0,3.0,83.83,-2.9,1.0,394.154701681,0.0,41.29,4.0,0.0,1.0
12584,Methylprednisolone aceponate,,D07AC,D07A,D07,D,472.578,3.14,0.00637,-4.9,1.0,14.8,125.97,4.0,1.0,7.0,106.97,-2.9,1.0,472.246103499,1.0,50.86,5.0,0.0,1.0
12602,Loperamide oxide,,A07DA,A07D,A07,A,493.04,3.65,0.000221,-6.4,1.0,13.66,141.36,4.0,1.0,7.0,63.6,4.01,0.0,492.2179706,1.0,53.83,3.0,0.0,1.0
12622,Cortisone,,H02AB,H02A,H02,H,360.444,1.66,0.136,-3.4,1.0,12.58,96.47,4.0,2.0,2.0,91.67,-3.3,1.0,360.193674006,0.0,38.95,5.0,0.0,1.0
12660,Bentazepam,,N05BA,N05B,N05,N,296.39,4.14,0.00557,-4.7,1.0,10.36,85.58,4.0,1.0,1.0,41.46,3.25,1.0,296.098334317,0.0,31.98,2.0,0.0,1.0
12664,Larotrectinib,solid,L01EX,L01E,L01,L,428.444,2.44,0.238,-3.3,1.0,10.94,122.96,5.0,2.0,3.0,86.0,0.7,1.0,428.177230298,0.0,41.61,5.0,0.0,1.0
12674,Ceftobiprole medocaril,,J01DI,J01D,J01,J,690.66,-0.97,0.131,-3.7,0.0,3.19,163.59,6.0,4.0,9.0,256.48,0.43,0.0,690.116246037,1.0,64.88,13.0,-2.0,0.0
12683,Polymyxin B,solid,S02AA,S02A,S02,S,1203.499,-7.2,0.0744,-4.2,0.0,11.57,313.22,2.0,18.0,29.0,490.66,10.23,0.0,1202.74992728,0.0,127.4,18.0,5.0,0.0
12695,Solriamfetol,,N06BA,N06B,N06,N,194.234,0.86,1.95,-2.0,1.0,15.68,53.08,1.0,2.0,5.0,78.34,9.08,1.0,194.105527699,0.0,20.64,2.0,1.0,1.0
12704,Cycloguanil,,P01BB,P01B,P01,P,251.715,1.7,0.246,-3.0,1.0,16.13,68.84,2.0,2.0,1.0,80.0,8.18,1.0,251.09377318,0.0,25.51,5.0,1.0,1.0
12710,Pamiparib,,L01XK,L01X,L01,L,298.321,1.39,0.0933,-3.5,1.0,10.28,81.01,5.0,2.0,0.0,60.49,5.62,1.0,298.122989282,0.0,29.89,3.0,0.0,1.0
12724,Diroximel fumarate,solid,L04AX,L04A,L04,L,255.226,-0.22,5.5,-1.7,1.0,,59.35,1.0,0.0,7.0,89.98,-6.3,1.0,255.074287143,0.0,23.89,4.0,0.0,1.0
12780,Ripretinib,solid,L01EX,L01E,L01,L,510.367,4.39,0.00583,-4.9,1.0,10.34,133.78,4.0,3.0,5.0,86.36,5.85,0.0,509.086266,0.0,47.21,4.0,0.0,0.0
12784,Filgotinib,,L04AA,L04A,L04,L,425.51,2.03,0.177,-3.4,1.0,10.96,126.12,5.0,1.0,5.0,96.67,3.32,1.0,425.152160795,0.0,44.72,6.0,0.0,1.0
12816,Cefiderocol,solid,J01DI,J01D,J01,J,752.21,-2.9,0.00201,-5.6,0.0,2.64,204.1,5.0,6.0,13.0,256.9,4.05,0.0,751.1497104,1.0,72.74,13.0,-1.0,0.0
12818,Oliceridine,solid,N02AX,N02A,N02,N,386.55,3.96,0.00131,-5.5,1.0,,108.97,4.0,1.0,7.0,43.38,9.12,1.0,386.202799388,1.0,43.59,4.0,1.0,1.0
12909,Abrocitinib,solid,D11AH,D11A,D11,D,323.42,0.83,0.42,-2.9,1.0,11.47,86.0,3.0,2.0,5.0,90.98,6.45,1.0,323.14159611,0.0,34.18,5.0,1.0,1.0
12911,Voxelotor,solid,B06AX,B06A,B06,B,337.379,3.54,0.0526,-3.8,1.0,8.46,106.25,3.0,1.0,6.0,77.24,3.41,1.0,337.142641484,1.0,35.37,5.0,0.0,1.0
12970,Zanubrutinib,solid,L01EL,L01E,L01,L,471.561,3.42,0.0103,-4.7,1.0,13.81,146.25,5.0,2.0,6.0,102.48,2.68,0.0,471.227039814,1.0,51.75,4.0,0.0,1.0
13005,Omidenepag isopropyl,solid,G01AE,G01A,G01,G,520.61,2.67,0.0162,-4.5,0.0,,141.29,4.0,1.0,11.0,119.31,2.62,0.0,520.18927458,1.0,53.42,7.0,0.0,0.0
13025,Upadacitinib,liquid,L04AA,L04A,L04,L,380.375,0.85,0.0707,-3.7,1.0,13.99,93.03,4.0,2.0,4.0,78.32,4.11,1.0,380.157243745,0.0,36.09,3.0,0.0,1.0
13031,Gefapixant,,R05DB,R05D,R05,R,353.4,0.86,0.503,-2.8,1.0,9.67,91.44,2.0,3.0,5.0,156.44,6.76,1.0,353.115775286,0.0,34.62,7.0,1.0,1.0
13036,Pemigatinib,solid,L01EN,L01E,L01,L,487.508,1.82,0.144,-3.5,1.0,13.88,125.32,5.0,1.0,6.0,83.16,5.9,0.0,487.203110695,1.0,49.93,6.0,0.0,1.0
13081,Futibatinib,solid,L01EN,L01E,L01,L,418.457,1.77,0.0398,-4.0,1.0,19.22,122.82,4.0,1.0,6.0,108.39,2.58,1.0,418.175338592,1.0,45.57,7.0,0.0,1.0
13130,Fosravuconazole,,D01BA,D01B,D01,D,547.47,2.88,0.0214,-4.4,1.0,1.26,140.67,4.0,2.0,10.0,143.38,2.37,0.0,547.089083262,1.0,50.78,8.0,-2.0,0.0
13159,Avapritinib,solid,L01EX,L01E,L01,L,498.57,3.26,0.0301,-4.2,1.0,,164.55,6.0,1.0,5.0,106.29,8.52,0.0,498.240419072,0.0,52.99,8.0,1.0,1.0
13225,Hydroquinidine,,C01BA,C01B,C01,C,326.44,2.82,0.312,-3.0,1.0,13.89,94.65,4.0,1.0,4.0,45.59,9.18,1.0,326.199428085,0.0,36.67,4.0,1.0,1.0
13230,Risdiplam,solid,M09AX,M09A,M09,M,401.474,1.18,0.0958,-3.6,1.0,,127.06,6.0,1.0,2.0,78.13,8.7,1.0,401.196408389,0.0,45.12,6.0,1.0,1.0
13239,Coblopasvir,,J05AP,J05A,J05,J,782.899,3.8,0.0159,-4.7,0.0,10.88,207.59,7.0,4.0,13.0,193.1,5.96,0.0,782.375160602,1.0,85.98,8.0,0.0,0.0
13363,Trilaciclib,solid,V03AF,V03A,V03,V,446.559,2.74,0.26,-3.2,1.0,11.59,128.51,6.0,2.0,3.0,91.21,7.65,1.0,446.254257618,0.0,50.52,7.0,1.0,1.0
13365,Elexacaftor,solid,R07AX,R07A,R07,R,597.66,5.04,0.0192,-4.5,0.0,4.1,160.13,4.0,1.0,8.0,124.24,2.09,0.0,597.234508266,1.0,60.59,8.0,-1.0,0.0
13382,Belzutifan,solid,L01XX,L01X,L01,L,383.34,1.88,0.0794,-3.7,1.0,12.53,85.82,3.0,1.0,3.0,87.39,-3.7,1.0,383.043913533,0.0,33.2,4.0,0.0,1.0
13408,Mexazolam,,N05BA,N05B,N05,N,363.238,5.27,0.0126,-4.5,1.0,3.76,96.22,4.0,1.0,1.0,45.06,1.68,1.0,362.05888318,0.0,35.53,4.0,0.0,0.0
13413,Edotreotide gallium Ga-68,solid,V09IX,V09I,V09,V,1486.55,-9.6,0.0646,-4.4,0.0,-0.48,397.48,6.0,14.0,26.0,488.88,10.28,0.0,1485.520052927,1.0,143.64,23.0,-1.0,0.0
13488,Sotorasib,solid,L01XX,L01X,L01,L,560.606,4.74,0.0185,-4.5,1.0,6.98,150.12,5.0,1.0,3.0,102.23,4.74,0.0,560.234745176,0.0,57.21,7.0,-1.0,0.0
13494,Padeliporfin,liquid,L01XD,L01X,L01,L,840.26,-0.27,0.0344,-4.4,0.0,-1.2,193.49,5.0,3.0,12.0,215.7,6.03,0.0,839.181629,1.0,78.89,12.0,-2.0,0.0
13496,Desfesoterodine,,G04BD,G04B,G04,G,341.487,3.43,0.0288,-4.1,1.0,9.58,105.73,2.0,2.0,8.0,43.7,10.82,1.0,341.235479241,0.0,40.18,3.0,1.0,1.0
13516,Ferric maltol,solid,B03AB,B03A,B03,B,431.154,0.55,0.0102,-4.6,1.0,9.45,44.27,3.0,0.0,0.0,49.36,-3.6,1.0,431.006543,0.0,11.25,3.0,0.0,1.0
13589,Lenacapavir,solid,J05AX,J05A,J05,J,968.28,6.4,0.00357,-5.4,0.0,6.69,231.27,7.0,2.0,14.0,157.94,1.91,0.0,967.1435188,1.0,83.29,8.0,-1.0,0.0
13601,Selpercatinib,solid,L01EX,L01E,L01,L,525.613,3.14,0.0299,-4.2,1.0,14.59,158.75,6.0,1.0,8.0,112.04,6.28,0.0,525.248837886,1.0,57.3,9.0,0.0,0.0
13771,Buthiazide,,C03EA,C03E,C03,C,353.84,1.02,0.498,-2.8,1.0,9.07,81.57,2.0,3.0,3.0,118.36,-2.6,1.0,353.0270761,0.0,33.75,5.0,0.0,1.0
13878,Chloroprednisone,,S01CA,S01C,S01,S,392.88,1.78,0.0395,-4.0,1.0,12.58,102.13,4.0,2.0,2.0,91.67,-3.3,1.0,392.1390516,0.0,40.51,5.0,0.0,1.0
13883,Sulfametrole,,J01EE,J01E,J01,J,286.32,1.05,0.757,-2.6,1.0,5.51,69.46,2.0,2.0,3.0,107.2,1.9,1.0,286.019432546,0.0,26.36,6.0,-1.0,1.0
13884,Tetroxoprim,,J01EE,J01E,J01,J,334.376,1.24,0.126,-3.4,1.0,17.33,92.55,2.0,2.0,8.0,114.74,7.16,1.0,334.164105204,0.0,34.88,8.0,1.0,1.0
13890,Berotralstat,solid,B06AC,B06A,B06,B,562.573,5.58,0.00238,-5.4,0.0,13.35,149.32,5.0,3.0,10.0,108.76,9.29,0.0,562.210422133,1.0,55.92,5.0,2.0,0.0
13927,Gallium Ga-68 gozetotide,,V09IX,V09I,V09,V,1011.909,-3.2,0.0121,-5.0,0.0,0.85,268.15,2.0,9.0,35.0,378.56,9.5,0.0,1011.321652961,0.0,95.33,19.0,-5.0,0.0
13929,Levosulpiride,,N05AL,N05A,N05,N,341.43,0.22,0.537,-2.8,1.0,10.24,88.63,2.0,2.0,6.0,101.73,8.39,1.0,341.140927407,0.0,35.59,5.0,1.0,1.0
13932,Indocyanine green,,V04CX,V04C,V04,V,774.97,6.05,4.42e-06,-8.3,0.0,-0.94,228.88,6.0,0.0,14.0,120.65,2.66,0.0,774.27732387,1.0,86.31,7.0,-1.0,0.0
14006,Atogepant,solid,N02CD,N02C,N02,N,603.525,3.5,0.0263,-4.4,1.0,11.74,141.62,6.0,2.0,5.0,104.29,3.83,0.0,603.170508599,0.0,53.45,5.0,0.0,0.0
14073,Finerenone,solid,C03DA,C03D,C03,C,378.432,1.85,0.0354,-4.0,1.0,14.87,109.13,3.0,2.0,5.0,110.26,6.06,1.0,378.169190584,0.0,39.66,6.0,0.0,1.0
14127,Levonadifloxacin,,J01MA,J01M,J01,J,360.385,1.84,0.632,-2.8,1.0,5.94,96.03,4.0,2.0,2.0,81.08,0.44,1.0,360.148535327,0.0,36.75,6.0,-1.0,1.0
14134,Maralixibat,liquid,A05AX,A05A,A05,A,674.96,2.7,2.39e-05,-7.5,0.0,14.15,209.09,6.0,1.0,13.0,70.08,5.68,0.0,674.398604889,1.0,78.83,6.0,1.0,0.0
14144,Mitapivat,solid,G01AE,G01A,G01,G,450.56,1.62,0.0329,-4.1,1.0,6.79,123.68,5.0,1.0,5.0,82.61,7.64,1.0,450.172561887,0.0,46.21,5.0,0.0,1.0
14157,Naphthoquine,,P01BF,P01B,P01,P,409.96,5.22,0.00201,-5.3,1.0,9.51,119.79,4.0,3.0,5.0,57.18,10.62,1.0,409.1920902,0.0,46.82,4.0,1.0,0.0
14169,Odevixibat,solid,A05AX,A05A,A05,A,740.93,6.28,0.00115,-5.8,0.0,3.4,197.31,4.0,5.0,17.0,174.37,-3.4,0.0,740.29135687,1.0,80.03,9.0,-1.0,0.0
14478,Melphalan flufenamide,solid,L01AA,L01A,L01,L,498.42,4.28,,,1.0,12.11,129.88,2.0,2.0,14.0,84.66,8.07,0.0,497.1648254,0.0,52.16,4.0,1.0,1.0
14501,Deucravacitinib,solid,L04AA,L04A,L04,L,425.467,2.1,0.159,-3.4,1.0,11.09,138.38,4.0,3.0,7.0,135.95,2.38,0.0,425.200316838,1.0,44.49,8.0,0.0,1.0
14541,Tegoprazan,,A02BC,A02B,A02,A,387.387,2.32,0.0453,-3.9,1.0,11.37,98.82,4.0,1.0,3.0,67.45,6.07,1.0,387.13944781,0.0,38.71,4.0,0.0,1.0
14553,Belumosudil,solid,L04AA,L04A,L04,L,452.518,4.65,0.00289,-5.2,1.0,13.08,141.46,5.0,3.0,7.0,104.82,4.11,0.0,452.196074037,1.0,49.55,6.0,0.0,1.0
14688,Tebipenem pivoxil,,J01DH,J01D,J01,J,497.63,1.59,0.167,-3.5,1.0,15.0,127.43,4.0,1.0,9.0,108.74,6.27,0.0,497.165428078,1.0,53.39,6.0,0.0,1.0
14698,Tosufloxacin,,J01MA,J01M,J01,J,404.349,0.47,0.0762,-3.7,1.0,5.22,98.35,4.0,2.0,3.0,99.76,9.8,1.0,404.109624848,0.0,37.18,7.0,0.0,1.0
14931,Linzagolix,solid,H01CC,H01C,H01,H,508.42,3.88,0.00198,-5.4,1.0,3.15,117.25,4.0,2.0,6.0,114.4,-3.5,0.0,508.055206494,1.0,45.39,7.0,-1.0,0.0
14995,Methionine C-11,,V09IX,V09I,V09,V,148.21,-2.2,23.9,-0.8,1.0,2.53,37.59,0.0,2.0,4.0,63.32,9.5,0.0,148.06248359,0.0,15.54,3.0,0.0,1.0