diff --git "a/example-data/stokes20-eco-1000.csv" "b/example-data/stokes20-eco-1000.csv"
new file mode 100644--- /dev/null
+++ "b/example-data/stokes20-eco-1000.csv"
@@ -0,0 +1,1001 @@
+Name,SMILES,Mean_Inhibition,Activity,id,smiles,inchikey,pubchem_name,pubchem_id,mwt,clogp,tpsa
+FOSFOMYCIN CALCIUM,CC1OC1P(=O)([O-])[O-].[Ca+2],1.0843,Inactive,10010669,CC1OC1P(=O)([O-])[O-].[Ca+2],YMZJBJPWTXJQMR-UHFFFAOYSA-L,calcium (3-methyloxiran-2-yl)phosphonate,5702189.0,175.95513624999998,-1.7358999999999998,75.72
+BUCETIN,CCOc1ccc(NC(=O)CC(C)O)cc1,0.97647,Inactive,10012137,CCOc1ccc(NC(=O)CC(C)O)cc1,LIAWQASKBFCRNR-UHFFFAOYSA-N,bucetin,14130.0,223.120843404,1.7946999999999995,58.56
+ABIRATERONE,CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3cccnc3)=CCC12,0.95594,Inactive,10015265,CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3cccnc3)=CCC12,GZOSMCIZMLWJML-UHFFFAOYSA-N,"17-(pyridin-3-yl)androsta-5,16-dien-3-ol",21879648.0,349.240564612,5.398600000000005,33.120000000000005
+ATOMOXETINE HYDROCHLORIDE,CNCCC(Oc1ccccc1C)c1ccccc1.Cl,1.0393,Inactive,10017866,CNCCC(Oc1ccccc1C)c1ccccc1.Cl,LUCXVPAZUDVVBT-UHFFFAOYSA-N,rac atomoxetine hydrochloride,6850812.0,291.138992004,4.146420000000004,21.26
+CHLORMEZANONE,CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1,0.979115,Inactive,10030807,CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1,WEQAYVWKMWHEJO-UHFFFAOYSA-N,chlormezanone,2717.0,273.022641924,1.6155000000000002,54.45
+NOBILETIN,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC,0.83375,Inactive,10030844,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC,MRIAQLRQZPPODS-UHFFFAOYSA-N,nobiletin,72344.0,402.131467664,3.5116000000000023,85.59000000000002
+NADIFLOXACIN,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,0.0483815,Active,10033206,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,JYJTVFIEFKZWCJ-UHFFFAOYSA-N,nadifloxacin,4410.0,360.148535372,2.3071,82.77000000000001
+RETINYL ACETATE,CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,1.035415,Inactive,10034901,CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,QGNJRVVDBSJHIZ-UHFFFAOYSA-N,"acetic acid [3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] ester",5057.0,328.240230264,6.081100000000006,26.3
+ATOVAQUONE,O=C1C(O)=C(C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21,1.1919,Inactive,10042688,O=C1C(O)=C(C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21,KUCQYCKVKVOKAY-UHFFFAOYSA-N,,,366.102272148,5.505100000000004,54.37
+JUGLONE,O=C1C=CC(=O)c2c(O)cccc21,0.79133,Inactive,10043589,O=C1C=CC(=O)c2c(O)cccc21,KQPYUDDGWXQXHS-UHFFFAOYSA-N,juglone,3806.0,174.031694052,1.3274,54.370000000000005
+LUFENURON,O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl,1.1846,Inactive,10043659,O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl,PWPJGUXAGUPAHP-UHFFFAOYSA-N,lufenuron,71777.0,509.978423236,6.105500000000001,67.43
+BUSULFAN,CS(=O)(=O)OCCCCOS(C)(=O)=O,0.89236,Inactive,10053671,CS(=O)(=O)OCCCCOS(C)(=O)=O,COVZYZSDYWQREU-UHFFFAOYSA-N,busulfan,2478.0,246.023180168,-0.2809999999999997,86.74000000000001
+NEROLIDOL,C=CC(C)(O)CCC=C(C)CCC=C(C)C,0.898115,Inactive,10057324,C=CC(C)(O)CCC=C(C)CCC=C(C)C,FQTLCLSUCSAZDY-UHFFFAOYSA-N,nerolidol,8888.0,222.198365452,4.396300000000004,20.23
+CUELURE,CC(=O)CCc1ccc(OC(C)=O)cc1,0.897515,Inactive,10074441,CC(=O)CCc1ccc(OC(C)=O)cc1,UMIKWXDGXDJQJK-UHFFFAOYSA-N,4-(p-acetoxyphenyl)-2-butanone,19137.0,206.094294308,2.1335,43.370000000000005
+RITONAVIR,CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,0.797315,Inactive,10076020,CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,NCDNCNXCDXHOMX-UHFFFAOYSA-N,"n-[3-hydroxy-5-[[3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid 5-thiazolylmethyl ester",5076.0,720.3127606359999,5.905200000000005,145.77999999999997
+ARCAINE SULFATE,N=C(N)NCCCCNC(=N)N.O=S(=O)(O)O,1.03065,Inactive,10125857,N=C(N)NCCCCNC(=N)N.O=S(=O)(O)O,RWTGFMPOODRXIM-UHFFFAOYSA-N,arcaine sulfate,119020.0,270.111024056,-1.9200599999999977,198.4
+IOTHALAMIC ACID,CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I,1.18165,Inactive,10132544,CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I,UXIGWFXRQKWHHA-UHFFFAOYSA-N,iothalamic acid,3737.0,613.769650768,2.5166000000000004,95.5
+"ANDROSTA-1,4-DIEN-3,17-DIONE",CC12C=CC(=O)C=C1CCC1C2CCC2(C)C(=O)CCC12,1.010385,Inactive,10137384,CC12C=CC(=O)C=C1CCC1C2CCC2(C)C(=O)CCC12,LUJVUUWNAPIQQI-UHFFFAOYSA-N,"10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-dione",2192.0,284.177630008,3.863400000000003,34.14
+TOTAROLONE,CC(C)c1c(O)ccc2c1CCC1C(C)(C)C(=O)CCC21C,0.99298,Inactive,10138916,CC(C)c1c(O)ccc2c1CCC1C(C)(C)C(=O)CCC21C,AOHUEFCBXPOOLQ-UHFFFAOYSA-N,"7-hydroxy-1,1,4a-trimethyl-8-propan-2-yl-4,9,10,10a-tetrahydro-3h-phenanthren-2-one",625254.0,300.208930136,4.7248000000000046,37.3
+TROCLOSENE SODIUM,O=c1[n-]c(=O)n(Cl)c(=O)n1Cl.[Na+],1.10885,Inactive,10139174,O=c1[n-]c(=O)n(Cl)c(=O)n1Cl.[Na+],MSFGZHUJTJBYFA-UHFFFAOYSA-M,"1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3-dichloro-, sodium salt",517121.0,218.9214405,-4.6648,75.17000000000002
+DIHYDRODEHYDROEROSONE,COc1cc2c(cc1OC)-c1c(oc3cc4c(cc3c1=O)CCO4)CO2,0.962525,Inactive,10144502,COc1cc2c(cc1OC)-c1c(oc3cc4c(cc3c1=O)CCO4)CO2,LZUNYTZRKSOHRX-UHFFFAOYSA-N,dihydrodehydroerosone,4285596.0,352.09468823199995,3.3045000000000018,67.13000000000001
+CHLORINDIONE,O=C1c2ccccc2C(=O)C1c1ccc(Cl)cc1,1.07155,Inactive,10147435,O=C1c2ccccc2C(=O)C1c1ccc(Cl)cc1,NJDUWAXIURWWLN-UHFFFAOYSA-N,clorindione,70846.0,256.029107208,3.5028000000000024,34.14
+CORTISONE,CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO,1.02705,Inactive,10172814,CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO,MFYSYFVPBJMHGN-UHFFFAOYSA-N,cortisone-[2h7],521440.0,360.1936739959999,1.9898,91.67
+ETHYL DICHLOROORSELLINATE,CCOC(=O)c1c(C)c(Cl)c(O)c(Cl)c1O,1.014255,Inactive,10173519,CCOC(=O)c1c(C)c(Cl)c(O)c(Cl)c1O,DCMROEHBFQFVFM-UHFFFAOYSA-N,ethyl dichloroorsellinate,6710753.0,263.99561416,2.8897200000000014,66.76
+LEAD ACETATE,CC(=O)O[PbH2]OC(C)=O,0.90081,Inactive,10174781,CC(=O)O[PbH2]OC(C)=O,NJJJCKUBWUKYFT-UHFFFAOYSA-L,lead(2+) dihydride;diacetate,164511932.0,328.0189108359999,-0.8886000000000001,52.6
+METHOCARBAMOL,COc1ccccc1OCC(O)COC(N)=O,0.93923,Inactive,10178579,COc1ccccc1OCC(O)COC(N)=O,GNXFOGHNGIVQEH-UHFFFAOYSA-N,methocarbamol,4107.0,241.09502258,0.5302000000000002,91.01
+METHENAMINE,C1N2CN3CN1CN(C2)C3,1.010235,Inactive,10187710,C1N2CN3CN1CN(C2)C3,VKYKSIONXSXAKP-UHFFFAOYSA-N,methenamine,4101.0,140.106196384,-1.0197999999999992,12.96
+METHYL-2-HYDROXY-PHENYLPROPRIONATE,COC(=O)CCc1ccc(OC)cc1O,0.95897,Inactive,10196103,COC(=O)CCc1ccc(OC)cc1O,QPFCWJXXUBGYFW-UHFFFAOYSA-N,methyl 3-(2-hydroxy-4-methoxyphenyl)propanoate,20145674.0,210.089208928,1.5063999999999995,55.760000000000005
+AMMONIUM LACTATE,CC(O)C(=O)[O-].[NH4+],1.1529,Inactive,10212670,CC(O)C(=O)[O-].[NH4+],RZOBLYBZQXQGFY-UHFFFAOYSA-N,ammonium lactate,62358.0,107.058243148,-1.5067,96.86
+AZELAIC ACID,O=C(O)CCCCCCCC(=O)O,1.1203,Inactive,10214186,O=C(O)CCCCCCCC(=O)O,BDJRBEYXGGNYIS-UHFFFAOYSA-N,azelaic acid,2266.0,188.104858992,1.8863,74.6
+SULFAMETER,COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,1.14195,Inactive,10224280,COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,GPTONYMQFTZPKC-UHFFFAOYSA-N,sulfameter,5326.0,280.063011244,0.8681999999999999,107.2
+OXINIACIC ACID,O=C(O)c1ccc[n+]([O-])c1,0.91606,Inactive,10224343,O=C(O)c1ccc[n+]([O-])c1,FJCFFCXMEXZEIM-UHFFFAOYSA-N,oxiniacic acid,16976.0,139.02694302,0.0181999999999999,64.24
+ISOKOBUSONE,C=C1CCC2C(CC2(C)C)C(=O)CCC1O,0.973945,Inactive,10233204,C=C1CCC2C(CC2(C)C)C(=O)CCC1O,BSFUDCIRZBAPDS-UHFFFAOYSA-N,isokobusone,3860435.0,222.161979944,2.708900000000001,37.3
+GLUTATHIONE,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,1.05805,Inactive,10245779,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,RWSXRVCMGQZWBV-UHFFFAOYSA-N,2-amino-4-({1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid,745.0,307.083806264,-2.2060999999999984,158.82
+LEVOCARNITINE PROPIONATE HYDROCHLORIDE,CCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-],1.0483,Inactive,10252674,CCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-],KTFMPDDJYRFWQE-UHFFFAOYSA-N,(+/-)-propionylcarnitine chloride,13020033.0,253.1080858,-2.5068999999999955,63.60000000000001
+MIANSERIN HYDROCHLORIDE,CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl,1.0286,Inactive,10255427,CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl,YNPFMWCWRVTGKJ-UHFFFAOYSA-N,mianserin hydrochloride,68551.0,300.139326352,3.505700000000003,6.48
+ACETYLSALICYLANILIDE,CC(=O)Oc1ccccc1C(=O)Nc1ccccc1,0.93654,Inactive,10256550,CC(=O)Oc1ccccc1C(=O)Nc1ccccc1,LFQKSSGMPCWSPD-UHFFFAOYSA-N,acetic acid [2-[anilino(oxo)methyl]phenyl] ester,3364609.0,255.089543276,2.864200000000001,55.400000000000006
+PACHYRRHIZIN,COc1cc2c(cc1-c1cc3cc4ccoc4cc3oc1=O)OCO2,1.00435,Inactive,10268329,COc1cc2c(cc1-c1cc3cc4ccoc4cc3oc1=O)OCO2,PENSQRMNZZWMGV-UHFFFAOYSA-N,pachyrrhizin,101277.0,336.0633881039999,3.943500000000003,71.04
+CETRIMONIUM BROMIDE,CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-],0.052217,Active,10269265,CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-],LZZYPRNAOMGNLH-UHFFFAOYSA-M,cetrimonium bromide,5974.0,363.250062444,3.177900000000001,0.0
+OXELAIDIN CITRATE,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,1.09645,Inactive,10281193,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,KVKJFNUGVOFNGU-UHFFFAOYSA-N,pectamol,40384.0,527.2730465119998,2.3975000000000004,170.89999999999998
+ETHIONAMIDE,CCc1cc(C(N)=S)ccn1,0.97992,Inactive,10290301,CCc1cc(C(N)=S)ccn1,AEOCXXJPGCBFJA-UHFFFAOYSA-N,ethionamide,2761171.0,166.05646932,1.2782,38.91
+PHENTOLAMINE HYDROCHLORIDE,Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1.Cl,1.03205,Inactive,10323511,Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1.Cl,TUEJFGFQYKDAPM-UHFFFAOYSA-N,cid 657359,657359.0,317.12948994,3.2622200000000023,47.86
+AMIFOSTINE,NCCCNCCSP(=O)(O)O,1.0965,Inactive,10324052,NCCCNCCSP(=O)(O)O,JKOQGQFVAUAYPM-UHFFFAOYSA-N,amifostine,2141.0,214.05409997,-0.2492999999999997,95.58
+NITARSONE,O=[N+]([O-])c1ccc([As](=O)(O)O)cc1,0.966735,Inactive,10327055,O=[N+]([O-])c1ccc([As](=O)(O)O)cc1,FUUFQLXAIUOWML-UHFFFAOYSA-N,nitarsone,66826.0,246.946193792,-0.8442000000000001,100.67
+BEPRIDIL HYDROCHLORIDE,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl,1.00505,Inactive,10328898,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl,JXBBWYGMTNAYNM-UHFFFAOYSA-N,bepridil hydrochloride,50088.0,402.24379142,5.252000000000007,15.71
+DIETHYLSTILBESTROL,CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1,0.6658,Inactive,10331935,CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1,RGLYKWWBQGJZGM-UHFFFAOYSA-N,"phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-",3054.0,268.14632988,4.828600000000005,40.46
+DIMETHADIONE,CC1(C)OC(=O)NC1=O,1.01648,Inactive,10364594,CC1(C)OC(=O)NC1=O,JYJFNDQBESEHJQ-UHFFFAOYSA-N,dimethadione,3081.0,129.042593084,0.0313999999999999,55.4
+IRETOL,COc1c(O)cc(O)cc1O,0.89596,Inactive,10390940,COc1c(O)cc(O)cc1O,ASTPOGDWGNJVEW-UHFFFAOYSA-N,"2-methoxybenzene-1,3,5-triol",4303263.0,156.042258736,0.8119999999999996,69.92
+PEFLOXACIN MESYLATE,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.CS(=O)(=O)O,0.045535,Active,10408082,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.CS(=O)(=O)O,HQQSBEDKMRHYME-UHFFFAOYSA-N,pefloxacin mesylate,119525.0,429.136984708,1.1145000000000005,120.15
+VIOLASTYRENE,COc1cc(CC=Cc2ccccc2)c(OC)cc1O,1.1787,Inactive,10412354,COc1cc(CC=Cc2ccccc2)c(OC)cc1O,MGFYJNMOZGSGMU-UHFFFAOYSA-N,"2,5-dimethoxy-4-(3-phenylprop-2-enyl)phenol",320677.0,270.12559443600003,3.6653000000000016,38.69
+ICARIIN,COc1ccc(-c2oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1,1.0824,Inactive,10414715,COc1ccc(-c2oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1,TZJALUIVHRYQQB-UHFFFAOYSA-N,icarin,5471129.0,676.2367205799999,0.0678999999999985,238.2
+4'-HYDROXYCHALCONE,O=C(C=Cc1ccccc1)c1ccc(O)cc1,0.82298,Inactive,10417842,O=C(C=Cc1ccccc1)c1ccc(O)cc1,UAHGNXFYLAJDIN-UHFFFAOYSA-N,1-(4-hydroxy-phenyl)-3-phenyl-prop-2-en-1-one,94240.0,224.083729624,3.2883000000000013,37.3
+PIMOZIDE,O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,0.9386,Inactive,10428746,O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,YVUQSNJEYSNKRX-UHFFFAOYSA-N,pimozide,16362.0,461.227868988,5.8570000000000055,41.03
+PIRACETAM,NC(=O)CN1CCCC1=O,0.98432,Inactive,10435699,NC(=O)CN1CCCC1=O,GMZVRMREEHBGGF-UHFFFAOYSA-N,piracetam,4843.0,142.07422756,-0.9059000000000004,63.400000000000006
+AMOXICILLIN,CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(=O)O,1.09915,Inactive,10459044,CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(=O)O,LSQZJLSUYDQPKJ-UHFFFAOYSA-N,"6-{[amino(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",2171.0,365.104541708,0.0237000000000004,132.96
+FOMEPIZOLE,Cc1cn[nH]c1,1.03255,Inactive,10464395,Cc1cn[nH]c1,RIKMMFOAQPJVMX-UHFFFAOYSA-N,fomepizole,3406.0,82.053098192,0.7181199999999999,28.68
+ANAZOLENE SODIUM,O=S(=O)([O-])c1cc(O)c2c(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)[O-])cccc34)cc(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+],1.25165,Inactive,10498602,O=S(=O)([O-])c1cc(O)c2c(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)[O-])cccc34)cc(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+],ADGGJQPKBDIZMT-UHFFFAOYSA-K,acid blue 92,19731.0,694.9690895520002,-4.418099999999996,228.58
+L(-)-SORBOSE,O=C(CO)C(O)C(O)C(O)CO,0.97153,Inactive,10512743,O=C(CO)C(O)C(O)C(O)CO,BJHIKXHVCXFQLS-UHFFFAOYSA-N,"sorbose, l-",1101.0,180.063388104,-3.3772000000000006,118.22
+THIAMINE HYDROCHLORIDE,Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl.[Cl-],1.0955,Inactive,10519560,Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl.[Cl-],DPJRMOMPQZCRJU-UHFFFAOYSA-M,thiamine hydrochloride,6202.0,336.057837556,-1.9664599999999972,75.91
+BENZYLHYDRAZINE HYDROCHLORIDE,Cl.NNCc1ccccc1,1.01132,Inactive,10557143,Cl.NNCc1ccccc1,PRBLRLQZOKOQCQ-UHFFFAOYSA-N,benzylhydrazine monohydrochloride,14084.0,158.061076032,1.0717,38.05
+BLEOMYCIN (bleomycin B2 shown),CCC1OC(OC(c2c[nH]cn2)C(NC(=O)c2nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c2C)C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc2nc(-c3nc(C(=O)NCCCCNC(=N)N)cs3)cs2)C(C)O)C(OC2OC(CO)C(O)C(OC(N)=O)C2O)C(C)C1C.O=S(=O)(O)O.O=S(=O)(O)O,0.0468785,Active,10566613,CCC1OC(OC(c2c[nH]cn2)C(NC(=O)c2nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c2C)C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc2nc(-c3nc(C(=O)NCCCCNC(=N)N)cs3)cs2)C(C)O)C(OC2OC(CO)C(O)C(OC(N)=O)C2O)C(C)C1C.O=S(=O)(O)O.O=S(=O)(O)O,MYFKIPTTYRRUOH-UHFFFAOYSA-N,,,1614.5530971279984,-6.045810000000018,777.4800000000002
+TRYPTAMINE,NCCc1c[nH]c2ccccc12,1.008055,Inactive,10575966,NCCc1c[nH]c2ccccc12,APJYDQYYACXCRM-UHFFFAOYSA-N,tryptamine,1150.0,160.100048384,1.6691,41.81
+LUPININE,OCC1CCCN2CCCCC12,1.037655,Inactive,10579043,OCC1CCCN2CCCCC12,HDVAWXXJVMJBAR-UHFFFAOYSA-N,octahydro-2h-quinolizin-1-ylmethanol,297272.0,169.146664228,1.2432,23.47
+PRIMIDONE,CCC1(c2ccccc2)C(=O)NCNC1=O,0.89621,Inactive,10587219,CCC1(c2ccccc2)C(=O)NCNC1=O,DQMZLTXERSFNPB-UHFFFAOYSA-N,primidone,4909.0,218.105527688,0.5378999999999999,58.2
+CYTARABINE,Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1,0.90347,Inactive,10609248,Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1,UHDGCWIWMRVCDJ-UHFFFAOYSA-N,cytosar,596.0,243.085520516,-2.563,130.82999999999998
+ANTHOTHECOL,CC(=O)OC1CC2(C)C(c3ccoc3)CC3OC32C2(C)C(=O)C(O)=C3C(C)(C)C(=O)C=CC3(C)C12,1.0593,Inactive,10639728,CC(=O)OC1CC2(C)C(c3ccoc3)CC3OC32C2(C)C(=O)C(O)=C3C(C)(C)C(=O)C=CC3(C)C12,AJTULIWKBMDPCJ-UHFFFAOYSA-N,"17-(furan-3-yl)-6-hydroxy-4,4,8-trimethyl-3,7-dioxo-14,15-epoxyandrosta-1,5-dien-11-yl acetate",99980.0,480.2148033639999,4.434900000000003,106.34
+RIFAXIMIN,COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,0.04991,Active,10641984,COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,NZCRJKRKKOLAOJ-UHFFFAOYSA-N,"(2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl) acetate",53395233.0,785.3523594520001,6.157840000000009,198.38
+GEMIFLOXACIN MESYLATE,CON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CS(=O)(=O)O,0.041876,Active,10647039,CON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CS(=O)(=O)O,JIYMVSQRGZEYAX-UHFFFAOYSA-N,"7-[3-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid",3055173.0,485.1380473279999,0.4700000000000011,177.41
+HYMECROMONE METHYL ETHER,COc1ccc2c(C)cc(=O)oc2c1,0.9681,Inactive,10649432,COc1ccc2c(C)cc(=O)oc2c1,UDFPKNSWSYBIHO-UHFFFAOYSA-N,7-methoxy-4-methylcoumarin,390807.0,190.06299418,2.11002,39.44
+CYPERMETHRIN,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,0.88283,Inactive,10662880,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,KAATUXNTWXVJKI-UHFFFAOYSA-N,cypermethrin,2912.0,415.074198828,6.177980000000004,59.32000000000001
+EZETIMIBE,O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1,0.879575,Inactive,10664991,O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1,OLNTVTPDXPETLC-UHFFFAOYSA-N,1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one,4979942.0,409.148949972,4.888300000000004,60.77
+ORPHENADRINE CITRATE,Cc1ccccc1C(OCCN(C)C)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,1.007645,Inactive,10668604,Cc1ccccc1C(OCCN(C)C)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,MMMNTDFSPSQXJP-UHFFFAOYSA-N,2-dimethylaminoethyl-2-methyl-benzhydryl ether citrate,20846.0,461.20496695199984,2.41412,144.6
+TAGATOSE,OCC1(O)OCC(O)C(O)C1O,1.1582,Inactive,10679805,OCC1(O)OCC(O)C(O)C1O,LKDRXBCSQODPBY-UHFFFAOYSA-N,laevuflex,3426.0,180.063388104,-3.2198,110.38
+MELATONIN,COc1ccc2[nH]cc(CCNC(C)=O)c2c1,1.0386,Inactive,10692013,COc1ccc2[nH]cc(CCNC(C)=O)c2c1,DRLFMBDRBRZALE-UHFFFAOYSA-N,melatonin,896.0,232.121177752,1.8551,54.12
+ALFUZOSIN HYDROCHLORIDE,COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC.Cl,1.0539,Inactive,10708213,COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC.Cl,YTNKWDJILNVLGX-UHFFFAOYSA-N,alfuzosin hydrochloride,71764.0,425.182982056,1.7724999999999995,111.83
+LEVOMENTHOL,CC1CCC(C(C)C)C(O)C1,0.93345,Inactive,10710664,CC1CCC(C(C)C)C(O)C1,NOOLISFMXDJSKH-UHFFFAOYSA-N,menthol,1254.0,156.15141526,2.4395000000000007,20.23
+TERCONAZOLE,CC(C)N1CCN(c2ccc(OCC3COC(Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,1.033375,Inactive,10722831,CC(C)N1CCN(c2ccc(OCC3COC(Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,BLSQLHNBWJLIBQ-UHFFFAOYSA-N,triaconazole,5404.0,531.180395212,4.462700000000003,64.88000000000001
+DIMETHYL FUMARATE,COC(=O)C=CC(=O)OC,1.0777,Inactive,10726600,COC(=O)C=CC(=O)OC,LDCRTTXIJACKKU-UHFFFAOYSA-N,dimethyl but-2-enedioate,12215.0,144.042258736,-0.1114000000000001,52.60000000000001
+CRUSTECDYSONE,CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,1.0903,Inactive,10732747,CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,NKDFYOWSKOHCCO-UHFFFAOYSA-N,"2,3,14,20,22,25-hexahydroxycholest-7-en-6-one",271605.0,480.3087037479999,1.8539999999999996,138.45000000000002
+ARIPIPRAZOLE,O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,1.007565,Inactive,10737213,O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CEUORZQYGODEFX-UHFFFAOYSA-N,aripiprazole,60795.0,447.148032464,4.859300000000005,44.81
+QUINIC ACID,O=C(O)C1(O)CC(O)C(O)C(O)C1,0.993615,Inactive,10737790,O=C(O)C1(O)CC(O)C(O)C(O)C1,AAWZDTNXLSGCEK-UHFFFAOYSA-N,"1,3,4,5-tetrahydroxycyclohexanecarboxylic acid",1064.0,192.063388104,-2.321400000000001,118.22
+"HAEMATOMMIC ACID, ETHYL ESTER",CCOC(=O)c1c(C)cc(O)c(C=O)c1O,0.0424465,Active,10739038,CCOC(=O)c1c(C)cc(O)c(C=O)c1O,HUXJGSHUVDWZAM-UHFFFAOYSA-N,"ethyl 3-formyl-2,4-dihydroxy-6-methylbenzoate",3940691.0,224.068473484,1.39542,83.83
+CROTAMITON,CC=CC(=O)N(CC)c1ccccc1C,1.050335,Inactive,10758343,CC=CC(=O)N(CC)c1ccccc1C,DNTGGZPQPQTDQF-UHFFFAOYSA-N,crotamiton,2883.0,203.131014164,2.9240200000000014,20.31
+FLUVASTATIN SODIUM,CC(C)n1c(C=CC(O)CC(O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21.[Na+],1.19325,Inactive,10776674,CC(C)n1c(C=CC(O)CC(O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21.[Na+],ZGGHKIMDNBDHJB-UHFFFAOYSA-M,"(+)-(3r,5s)-xu 62-320 (free acid)",24906289.0,433.1665307800001,0.2973999999999999,85.52
+CEFAZOLIN SODIUM,Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cn4cnnn4)C3SC2)s1.[Na+],0.043289,Active,10829486,Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cn4cnnn4)C3SC2)s1.[Na+],FLKYBGKDCCEQQM-UHFFFAOYSA-M,sodium cefazolin;sodium cephazolin,4214199.0,476.0119581760002,-4.966779999999997,158.91999999999996
+BISABOLOL,CC(C)=CCCC(C)(O)C1CC=C(C)CC1,1.01915,Inactive,10833364,CC(C)=CCCC(C)(O)C1CC=C(C)CC1,RGZSQWQPBWRIAQ-UHFFFAOYSA-N,alpha-bisabolol,10586.0,222.198365452,4.230200000000004,20.23
+DOXAPRAM HYDROCHLORIDE,CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl,1.0904,Inactive,10844804,CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl,MBGXILHMHYLZJT-UHFFFAOYSA-N,doxapram hydrochloride,64647.0,414.207405912,3.595100000000002,32.78
+CYANOCOBALAMIN,CC1=C2N=C(C=C3N=C(C(C)=C4N=C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)(O)OC4C(CO)OC(n5c[n+]([Co]C#N)c6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O,1.04365,Inactive,10882736,CC1=C2N=C(C=C3N=C(C(C)=C4N=C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)(O)OC4C(CO)OC(n5c[n+]([Co]C#N)c6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O,OEEKSCBDGPRZJZ-UHFFFAOYSA-N,,,1354.5668515460895,2.8652200000000123,475.1299999999998
+BERGAPTEN,COc1c2ccoc2cc2oc(=O)ccc12,1.1147,Inactive,10914236,COc1c2ccoc2cc2oc(=O)ccc12,BGEBZHIAGXMEMV-UHFFFAOYSA-N,bergapten,2355.0,216.042258736,2.5478000000000005,52.580000000000005
+MENBUTONE,COc1ccc(C(=O)CCC(=O)O)c2ccccc12,0.94357,Inactive,10935461,COc1ccc(C(=O)CCC(=O)O)c2ccccc12,FHGJSJFIQNQBCK-UHFFFAOYSA-N,menbutone,71818.0,258.089208928,2.895900000000001,63.60000000000001
+DESLORATADINE HYDROCHLORIDE,Cl.Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,1.09055,Inactive,10938557,Cl.Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,XJJLVGAIFJSMSJ-UHFFFAOYSA-N,desloratadine hydrochloride,56971360.0,346.100354,4.440700000000004,24.92
+GIBBERELLIC ACID,C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)O,1.01915,Inactive,10955478,C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)O,IXORZMNAPKEEDV-UHFFFAOYSA-N,gibberellins,522636.0,346.14163842399995,1.0271,104.06000000000002
+3alpha-HYDROXY-3-DEOXYANGOLENSIC ACID METHYL ESTER,C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(O)C(C)(C)C(CC(=O)OC)C12C,1.027275,Inactive,10962854,C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(O)C(C)(C)C(CC(=O)OC)C12C,QFRUZVNPYYYLAN-UHFFFAOYSA-N,"methyl 2-[13-(furan-3-yl)-5-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate",3685255.0,472.2461034919999,4.354100000000003,95.2
+DIHYDROICTHYONE,COc1cc2c(cc1-c1coc3c4c(c(OC)cc3c1=O)OC(C)(C)CC4)OCO2,1.0868,Inactive,10973050,COc1cc2c(cc1-c1coc3c4c(c(OC)cc3c1=O)OC(C)(C)CC4)OCO2,HPHQBRGBASCILO-UHFFFAOYSA-N,,,410.1365530439999,4.309500000000004,76.36000000000001
+EDROPHONIUM CHLORIDE,CC[N+](C)(C)c1cccc(O)c1.[Cl-],1.12605,Inactive,10985220,CC[N+](C)(C)c1cccc(O)c1.[Cl-],BXKDSDJJOVIHMX-UHFFFAOYSA-N,edrophonium chloride,8307.0,201.092041812,-1.0169999999999997,20.23
+BENZOCAINE,CCOC(=O)c1ccc(N)cc1,0.96792,Inactive,10989073,CCOC(=O)c1ccc(N)cc1,BLFLLBZGZJTVJG-UHFFFAOYSA-N,benzocaine,2337.0,165.078978592,1.4455,52.32
+ETOMIDATE,CCOC(=O)c1cncn1C(C)c1ccccc1,0.99124,Inactive,10994118,CCOC(=O)c1cncn1C(C)c1ccccc1,NPUKDXXFDDZOKR-UHFFFAOYSA-N,ethyl 1-(1-phenylethyl)-1h-imidazole-5-carboxylate,36339.0,244.121177752,2.669100000000001,44.12
+HEPARIN SODIUM,NC1C(OC2C(C(=O)[O-])OC(COC3C(CO)OC(O)C(O)C3O)C(OS(=O)(=O)[O-])C2O)OC(COS(=O)(=O)[O-])C(O)C1O,1.0081,Inactive,10998864,NC1C(OC2C(C(=O)[O-])OC(COC3C(CO)OC(O)C(O)C3O)C(OS(=O)(=O)[O-])C2O)OC(COS(=O)(=O)[O-])C(O)C1O,LTGAJWFGUOGWMM-UHFFFAOYSA-K,,,688.07173433973,-9.837500000000013,386.77
+PIPAMPERONE,NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,1.11045,Inactive,11006341,NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,AXKPFOAXAHJUAG-UHFFFAOYSA-N,pipamperone,4830.0,375.23220542,2.5944000000000003,66.64000000000001
+DIHYDROGAMBOGIC ACID,CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(C)C(=O)O)C4O)C3=O,1.0737,Inactive,11011536,CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(C)C(=O)O)C4O)C3=O,VZXLWEWYBUGLJA-UHFFFAOYSA-N,"4-[12,18-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14-oxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid",5205218.0,630.3192684320001,7.031100000000008,122.52
+CLARITHROMYCIN,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O,0.53576,Inactive,11024152,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O,AGOYDEPGAOXOCK-UHFFFAOYSA-N,"6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione",4663848.0,747.476891268,2.439700000000004,182.91
+ACESULFAME POTASSIUM,CC1=CC(=O)[N-]S(=O)(=O)O1.[K+],0.90483,Inactive,11037192,CC1=CC(=O)[N-]S(=O)(=O)O1.[K+],WBZFUFAFFUEMEI-UHFFFAOYSA-M,acesulfame potassium,11074431.0,200.949810288,-2.9304999999999994,74.54
+IPROHEPTINE HYDROCHLORIDE,CC(C)CCCC(C)NC(C)C.Cl,1.06315,Inactive,11058545,CC(C)CCCC(C)NC(C)C.Cl,QYEORIIWGAAORG-UHFFFAOYSA-N,iproheptine hydrochloride,19916.0,207.175377512,3.621000000000002,12.03
+PANGAMIC ACID SODIUM,CN(C)CC(=O)OCC(O)C(O)C(O)C(O)C(=O)[O-].[Na+],1.1186,Inactive,11062474,CN(C)CC(=O)OCC(O)C(O)C(O)C(O)C(=O)[O-].[Na+],MKVDFFROCUECAJ-UHFFFAOYSA-M,,,303.093010816,-7.711299999999996,150.59
+PHLORETIN,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,1.13815,Inactive,11063944,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,VGEREEWJJVICBM-UHFFFAOYSA-N,phloretin,4788.0,274.084123548,2.324500000000001,97.99
+TRIADIMEFON,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1,1.1375,Inactive,11077112,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1,WURBVZBTWMNKQT-UHFFFAOYSA-N,triadimefon,39385.0,293.093104432,3.1243000000000016,57.010000000000005
+GITOXIGENIN DIACETATE,CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C4=CC(=O)OC4)C(OC(C)=O)CC32O)C1,1.00904,Inactive,11085112,CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C4=CC(=O)OC4)C(OC(C)=O)CC32O)C1,ANNNOIZFDGPVNC-UHFFFAOYSA-N,"gitoxigenin 3,16-diacetate",608895.0,474.2617535559999,3.716700000000003,99.13
+SUBERIC ACID,O=C(O)CCCCCCC(=O)O,1.01575,Inactive,11128685,O=C(O)CCCCCCC(=O)O,TYFQFVWCELRYAO-UHFFFAOYSA-N,suberic acid,10457.0,174.089208928,1.4962000000000002,74.6
+BUCLADESINE SODIUM,CCCC(=O)Nc1ncnc2c1ncn2C1OC2COP(=O)([O-])OC2C1OC(=O)CCC.[Na+],0.960325,Inactive,11131079,CCCC(=O)Nc1ncnc2c1ncn2C1OC2COP(=O)([O-])OC2C1OC(=O)CCC.[Na+],KRBZRVBLIUDQNG-UHFFFAOYSA-M,dibutyryl camp (sodium salt);dbcamp (sodium salt),16760396.0,491.1181936059999,-1.9379999999999964,166.82
+NORHARMAN,c1ccc2c(c1)[nH]c1cnccc12,0.832055,Inactive,11146605,c1ccc2c(c1)[nH]c1cnccc12,AIFRHYZBTHREPW-UHFFFAOYSA-N,norharman,64961.0,168.068748256,2.7161,28.68
+DOCETAXEL,CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C.O.O.O,0.722265,Inactive,11149411,CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C.O.O.O,XCDIRYDKECHIPE-UHFFFAOYSA-N,"[4-acetyloxy-1,9,12-trihydroxy-15-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;trihydrate",22600501.0,861.3782994280002,0.7855000000000025,318.94999999999993
+MATRINE,O=C1CCCC2C3CCCN4CCCC(CN12)C34,1.05445,Inactive,11162280,O=C1CCCC2C3CCCN4CCCC(CN12)C34,ZSBXGIUJOOQZMP-UHFFFAOYSA-N,(+)-sophoridine,285698.0,248.188863388,1.8717,23.550000000000004
+CIMICIFUGOSIDE H1,CC(CC(=O)C1OC1(C)C)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35C(O)CC12C,0.97792,Inactive,11171505,CC(CC(=O)C1OC1(C)C)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35C(O)CC12C,PYBFXJMIKJNNAJ-UHFFFAOYSA-N,cid 45934454,45934454.0,616.3611332439998,3.0923000000000007,146.05
+ACETOSYRINGONE,COc1cc(C(C)=O)cc(OC)c1O,0.95268,Inactive,11172281,COc1cc(C(C)=O)cc(OC)c1O,OJOBTAOGJIWAGB-UHFFFAOYSA-N,acetosyringone,17198.0,196.073558864,1.612,55.760000000000005
+DICLOXACILLIN SODIUM,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[Na+],0.98146,Inactive,11187003,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[Na+],GXOMMGAFBINOJY-UHFFFAOYSA-M,veracillin,23669145.0,491.008541252,-1.1285799999999997,115.57
+AMPROLIUM,CCCc1ncc(C[n+]2ccccc2C)c(N)n1.[Cl-],0.917325,Inactive,11199741,CCCc1ncc(C[n+]2ccccc2C)c(N)n1.[Cl-],LCTXBFGHZLGBNU-UHFFFAOYSA-M,1-((4-amino-2-propyl-5-pyrimidinyl)methyl)-2-picolinium chloride,73341.0,278.129824288,-1.3404799999999972,55.68
+TIOXOLONE,O=c1oc2cc(O)ccc2s1,0.93819,Inactive,11202580,O=c1oc2cc(O)ccc2s1,SLYPOVJCSQHITR-UHFFFAOYSA-N,tioxolone,72139.0,167.988114988,1.5601,50.44
+CHRYSIN DIMETHYL ETHER,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1,0.973915,Inactive,11221748,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1,JRFZSUMZAUHNSL-UHFFFAOYSA-N,"5,7-dimethoxyflavone",88881.0,282.089208928,3.4772000000000025,48.67
+DEHYDROROTENONE,C=C(C)C1Cc2c(ccc3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1,0.962195,Inactive,11221809,C=C(C)C1Cc2c(ccc3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1,GFERNZCCTZEIET-UHFFFAOYSA-N,dehydrorotenone,303993.0,392.1259883599999,4.249200000000004,67.13000000000001
+IRBESARTAN,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,1.03535,Inactive,11225332,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,YOSHYTLCDANDAN-UHFFFAOYSA-N,irbesartan,3749.0,428.23245951600006,4.777400000000004,87.13
+UREA,NC(N)=O,0.963835,Inactive,11271278,NC(N)=O,XSQUKJJJFZCRTK-UHFFFAOYSA-N,urea,1176.0,60.032362748,-0.9762000000000002,69.11
+MONOBENZONE,Oc1ccc(OCc2ccccc2)cc1,0.94558,Inactive,11273098,Oc1ccc(OCc2ccccc2)cc1,VYQNWZOUAUKGHI-UHFFFAOYSA-N,monobenzone,7638.0,200.083729624,2.9712000000000014,29.46
+BROMINDIONE,O=C1c2ccccc2C(=O)C1c1ccc(Br)cc1,1.07342,Inactive,11281903,O=C1c2ccccc2C(=O)C1c1ccc(Br)cc1,NPUZIGSOEWMFKK-UHFFFAOYSA-N,bromindione,14369.0,299.978591628,3.611900000000002,34.14
+NIACINAMIDE,NC(=O)c1cccnc1,1.10405,Inactive,11295312,NC(=O)c1cccnc1,DFPAKSUCGFBDDF-UHFFFAOYSA-N,niacinamide,936.0,122.048012812,0.1805000000000001,55.98
+CLOZAPINE,CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,1.06725,Inactive,11296864,CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,QZUDBNBUXVUHMW-UHFFFAOYSA-N,clozapine,135398737.0,326.129824288,3.7227000000000015,30.87
+TYRAMINE,NCCc1ccc(O)cc1,1.04425,Inactive,11308094,NCCc1ccc(O)cc1,DZGWFCGJZKJUFP-UHFFFAOYSA-N,tyramine,5610.0,137.084063972,0.8934,46.25
+ETHOXZOLAMIDE,CCOc1ccc2nc(S(N)(=O)=O)sc2c1,0.99039,Inactive,11322798,CCOc1ccc2nc(S(N)(=O)=O)sc2c1,OUZWUKMCLIBBOG-UHFFFAOYSA-N,ethoxzolamide,3295.0,258.01328418,1.3424,82.28
+PYRONARIDINE TETRAPHOSPHATE,COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O,1.08215,Inactive,11322984,COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O,YKUQEKXHQFYULM-UHFFFAOYSA-N,pyronaridine tetraphosphate,156867.0,909.1320337680004,2.3714000000000097,384.79
+CALCIUM CHLORIDE,Cl[Ca]Cl,1.13955,Inactive,11323708,Cl[Ca]Cl,UXVMQQNJUSDDNG-UHFFFAOYSA-L,calol,24854.0,109.90029634,0.9982,0.0
+CARBOPLATIN,N.N.O=C1O[Pt]OC(=O)C12CCC2,1.03075,Inactive,11327263,N.N.O=C1O[Pt]OC(=O)C12CCC2,OLESAACUTLOWQZ-UHFFFAOYSA-L,carboplatin,10339178.0,371.044497964,0.4931999999999995,122.6
+"EPHEDRINE (1R,2S) HYDROCHLORIDE",CNC(C)C(O)c1ccccc1.Cl,1.1372,Inactive,11360359,CNC(C)C(O)c1ccccc1.Cl,BALXUFOVQVENIU-UHFFFAOYSA-N,racephedrine hydrochloride,8648.0,201.092041812,1.7496999999999998,32.26
+XYLAZINE,Cc1cccc(C)c1NC1=NCCCS1,1.0038,Inactive,11366295,Cc1cccc(C)c1NC1=NCCCS1,BPICBUSOMSTKRF-UHFFFAOYSA-N,xylazine,5707.0,220.103419512,3.2082400000000018,24.39
+ROXATIDINE ACETATE HYDROCHLORIDE,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl,1.14675,Inactive,11368022,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl,FEWCTJHCXOHWNL-UHFFFAOYSA-N,roxatidine acetate hydrochloride,56704.0,384.181585088,2.542500000000001,67.87
+MILTEFOSINE [5mM],CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C,1.000495,Inactive,11369741,CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C,PQLXHQMOHUQAKB-UHFFFAOYSA-N,miltefosine,3599.0,407.316445582,5.675500000000006,58.59
+GADOTERIDOL,CC(O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1.[Gd+3],1.08735,Inactive,11378742,CC(O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1.[Gd+3],DPNNNPAKRZOSMO-UHFFFAOYSA-K,gadoteridol,60714.0,559.1277281680001,-6.161500000000005,153.58
+DIHYDROROTENONE,COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4,0.996105,Inactive,11383041,COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4,DTFARBHXORYQBF-UHFFFAOYSA-N,cid 4323685,4323685.0,396.157288488,3.7832000000000026,63.22000000000001
+"ABSCISIC ACID (cis,trans; +/-)",CC(C=CC1(O)C(C)=CC(=O)CC1(C)C)=CC(=O)O,1.04836,Inactive,11383243,CC(C=CC1(O)C(C)=CC(=O)CC1(C)C)=CC(=O)O,JLIDBLDQVAYHNE-UHFFFAOYSA-N,"5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid",287291.0,264.13615912,2.2499,74.6
+DESACETYLCOLFORSIN,C=CC1(C)CC(=O)C2(O)C(C)(O1)C(O)C(O)C1C(C)(C)CCC(O)C12C,0.924855,Inactive,11390489,C=CC1(C)CC(=O)C2(O)C(C)(O1)C(O)C(O)C1C(C)(C)CCC(O)C12C,WPDITXOBNLYZHH-UHFFFAOYSA-N,"3-ethenyl-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-1-one",2964.0,368.219888744,0.9490999999999988,107.22
+THALIDOMIDE,O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,1.0903,Inactive,11408238,O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,UEJJHQNACJXSKW-UHFFFAOYSA-N,thalidomide,5426.0,258.0640568,0.0877999999999999,83.55000000000001
+KHAYANTHONE,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(OC(C)=O)C3(C)C2CCC2(C)C(c4ccoc4)C(=O)C4OC423)C1(C)C,0.981665,Inactive,11444785,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(OC(C)=O)C3(C)C2CCC2(C)C(c4ccoc4)C(=O)C4OC423)C1(C)C,AKPJXLBXDLSOFY-UHFFFAOYSA-N,"[12,14-diacetyloxy-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-5-oxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-18-yl] acetate",5240852.0,570.282882924,4.757300000000004,121.64
+CETALKONIUM CHLORIDE,CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-],0.093284,Active,11449807,CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-],SXPWTBGAZSPLHA-UHFFFAOYSA-M,cetalkonium chloride,31202.0,395.331878152,4.748300000000004,0.0
+PAROXYPROPIONE,CCC(=O)c1ccc(O)cc1,1.02241,Inactive,11451260,CCC(=O)c1ccc(O)cc1,RARSHUDCJQSEFJ-UHFFFAOYSA-N,paroxypropione,6271.0,150.06807956,1.9849,37.3
+"CHOLESTAN-3beta,5alpha,6beta-TRIOL",CC(C)CCCC(C)C1CCC2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C,1.0365,Inactive,11451263,CC(C)CCCC(C)C1CCC2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C,YMMFNKXZULYSOQ-UHFFFAOYSA-N,"cholestane-3,5,6-triol",537036.0,420.360345396,5.554300000000007,60.69
+UMBELLIFERONE,O=c1ccc2ccc(O)cc2o1,1.01973,Inactive,11451504,O=c1ccc2ccc(O)cc2o1,ORHBXUUXSCNDEV-UHFFFAOYSA-N,umbelliferone,5281426.0,162.031694052,1.4986,50.44
+MEGLUTOL,CC(O)(CC(=O)O)CC(=O)O,0.85529,Inactive,11452537,CC(O)(CC(=O)O)CC(=O)O,NPOAOTPXWNWTSH-UHFFFAOYSA-N,meglutol,1662.0,162.05282342,-0.3132,94.83
+PERMETHRIN,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,1.05395,Inactive,11457081,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,RLLPVAHGXHCWKJ-UHFFFAOYSA-N,permethrin,40326.0,390.07894986,6.113300000000004,35.53
+CLOFIBRATE,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,1.0448,Inactive,11459695,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,KNHUKKLJHYUCFP-UHFFFAOYSA-N,clofibrate,2796.0,242.07097202,3.060500000000001,35.53
+CARSALAM,O=c1[nH]c(=O)c2ccccc2o1,1.0289,Inactive,11462989,O=c1[nH]c(=O)c2ccccc2o1,OAYRYNVEFFWSHK-UHFFFAOYSA-N,carsalam,16258.0,163.02694302,0.4813000000000001,63.07
+LOVASTATIN,CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21,0.973405,Inactive,11463337,CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21,PCZOHLXUXFIOCF-UHFFFAOYSA-N,mevacor,3962.0,404.2562742519999,4.195500000000004,72.83
+SELAMECTIN,COC1CC(OC2C(C)=CCC3CC(CC4(CCC(C)C(C5CCCCC5)O4)O3)OC(=O)C3C=C(C)C(=NO)C4OCC(=CC=CC2C)C34O)OC(C)C1O,0.84639,Inactive,11479197,COC1CC(OC2C(C)=CCC3CC(CC4(CCC(C)C(C5CCCCC5)O4)O3)OC(=O)C3C=C(C)C(=NO)C4OCC(=CC=CC2C)C34O)OC(C)C1O,AFJYYKSVHJGXSN-UHFFFAOYSA-N,selamectin impurity b,73228437.0,769.4401118359999,6.069800000000008,154.73000000000002
+THREONINE (L),CC(O)C(N)C(=O)O,1.0499,Inactive,11489026,CC(O)C(N)C(=O)O,AYFVYJQAPQTCCC-UHFFFAOYSA-N,2-amino-3-hydroxybutanoic acid,205.0,119.058243148,-1.2208999999999997,83.55
+KINETIN,c1coc(CNc2ncnc3[nH]cnc23)c1,1.12195,Inactive,11489358,c1coc(CNc2ncnc3[nH]cnc23)c1,QANMHLXAZMSUEX-UHFFFAOYSA-N,kinetin,3830.0,215.080709908,1.5579999999999996,79.63000000000001
+TRIMETOZINE,COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC,1.088395,Inactive,11513824,COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC,XWVOEFLBOSSYGM-UHFFFAOYSA-N,trimetozine,12478.0,281.12632270800003,1.1848,57.23
+ACENEURAMIC ACID,CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO,1.21185,Inactive,11518588,CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO,SQVRNKJHWKZAKO-UHFFFAOYSA-N,"neuraminic acid, n-acetyl-",906.0,309.105981188,-3.871799999999999,176.77999999999997
+PROPOXUR,CNC(=O)Oc1ccccc1OC(C)C,1.13335,Inactive,11531022,CNC(=O)Oc1ccccc1OC(C)C,ISRUGXGCCGIOQO-UHFFFAOYSA-N,propoxur,4944.0,209.10519334,2.192,47.56
+ETOPOSIDE,COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O,1.0178,Inactive,11536532,COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O,VJJPUSNTGOMMGY-UHFFFAOYSA-N,"5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5h-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",3310.0,588.1842910839998,1.3385999999999991,160.83
+SPICULISPORIC ACID,CCCCCCCCCCC(C(=O)O)C1(C(=O)O)CCC(=O)O1,1.04505,Inactive,11554676,CCCCCCCCCCC(C(=O)O)C1(C(=O)O)CCC(=O)O1,TUXHHVJPGQUPCF-UHFFFAOYSA-N,"4,5-dicarboxy-gamma-pentadecanolactone",316426.0,328.18858861599995,3.378400000000001,100.9
+EPIGALLOCATECHIN,Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2,1.02789,Inactive,11554760,Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2,XMOCLSLCDHWDHP-UHFFFAOYSA-N,"flavan-3,3',4',5,5',7-hexol",1249.0,306.073952788,1.2517,130.61
+PHENYLETHYL ALCOHOL,OCCc1ccccc1,1.09905,Inactive,11563268,OCCc1ccccc1,WRMNZCZEMHIOCP-UHFFFAOYSA-N,phenylethyl alcohol,6054.0,122.07316494,1.2214,20.23
+ZOXAZOLAMINE,Nc1nc2cc(Cl)ccc2o1,0.75269,Inactive,11569209,Nc1nc2cc(Cl)ccc2o1,YGCODSQDUUUKIV-UHFFFAOYSA-N,zoxazolamine,6103.0,168.00904046,2.0634,52.05
+TIGECYCLINE,CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1CC1CC3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O,1.05525,Inactive,11572210,CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1CC1CC3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O,FPZLLRFZJZRHSY-UHFFFAOYSA-N,,,585.2798632079999,0.5132000000000028,205.76
+DEXLANSOPRAZOLE,Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1,1.00764,Inactive,11576116,Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1,MJIHNNLFOKEZEW-UHFFFAOYSA-N,lansoprazole,3883.0,369.0758823480001,3.515220000000001,67.87
+DROXYDOPA,NC(C(=O)O)C(O)c1ccc(O)c(O)c1,0.967015,Inactive,11623458,NC(C(=O)O)C(O)c1ccc(O)c(O)c1,QXWYKJLNLSIPIN-UHFFFAOYSA-N,"2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid",3171.0,213.063722452,-0.4569000000000002,124.01000000000002
+XANTHURENIC ACID,O=C(O)c1cc(O)c2cccc(O)c2n1,0.94498,Inactive,11636623,O=C(O)c1cc(O)c2cccc(O)c2n1,FBZONXHGGPHHIY-UHFFFAOYSA-N,xanthurenic acid,5699.0,205.037507704,1.3441999999999998,90.65
+METHSCOPOLAMINE BROMIDE,C[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12.[Br-],1.05335,Inactive,11639186,C[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12.[Br-],CXYRUNPLKGGUJF-UHFFFAOYSA-M,(-)-scopolamine methyl bromide,16757702.0,397.088870348,-1.933299999999996,59.06
+SILDENAFIL CITRATE,CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O,0.962795,Inactive,11738203,CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O,DEIYFTQMQPDXOT-UHFFFAOYSA-N,sildenafil citrate,135413523.0,666.2319270360001,0.362400000000005,245.54999999999995
+NICOTINYL ALCOHOL TARTRATE,O=C(O)C(O)C(O)C(=O)O.OCc1cccnc1,1.06165,Inactive,11900027,O=C(O)C(O)C(O)C(=O)O.OCc1cccnc1,NPORIZAYKBQYLF-UHFFFAOYSA-N,nicotinyl tartrate,287442.0,259.069201756,-1.5486999999999984,148.18
+TIRATRICOL,O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1,1.0941,Inactive,11975300,O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1,UOWZUVNAGUAEQC-UHFFFAOYSA-N,tiratricol,5803.0,621.7635027680001,4.625400000000002,66.76
+VANITIOLIDE,COc1cc(C(=S)N2CCOCC2)ccc1O,1.031,Inactive,11976232,COc1cc(C(=S)N2CCOCC2)ccc1O,WQYRHRAZNNRDIA-UHFFFAOYSA-N,vanitiolide,72146.0,253.07726434,1.4085,41.93000000000001
+DANTHRON,O=C1c2cccc(O)c2C(=O)c2c(O)cccc21,0.979395,Inactive,12015768,O=C1c2cccc(O)c2C(=O)c2c(O)cccc21,QBPFLULOKWLNNW-UHFFFAOYSA-N,danthron,2950.0,240.042258736,1.873199999999999,74.6
+SULFAMONOMETHOXINE,COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1,0.874365,Inactive,12096187,COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1,WMPXPUYPYQKQCX-UHFFFAOYSA-N,sulfamonomethoxine,5332.0,280.063011244,0.8682000000000001,107.2
+HYDROLYSIS PRODUCT OF BUSSEIN,CC(C)C(O)=C1C(=O)OC(c2ccoc2)C2(C)C(O)C(O)C34OC5(C)OC3(C12)C(O)C1(O)C(O)C2(C)CC1(O5)C4(C)C2CC(=O)O,1.0456,Inactive,12135393,CC(C)C(O)=C1C(=O)OC(c2ccoc2)C2(C)C(O)C(O)C34OC5(C)OC3(C12)C(O)C1(O)C(O)C2(C)CC1(O5)C4(C)C2CC(=O)O,FLRUCNJMPLRHQE-UHFFFAOYSA-N,"2-[6-(furan-3-yl)-8,9,18,19,20-pentahydroxy-3-(1-hydroxy-2-methylpropylidene)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-16-yl]acetic acid",76171016.0,648.24180596,0.6579000000000002,225.81
+ADENOSINE,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O,1.1587,Inactive,12275895,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O,OIRDTQYFTABQOQ-UHFFFAOYSA-N,"2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",191.0,267.096753896,-1.9800000000000009,139.54000000000002
+ALLYLTHIOUREA,C=CCNC(N)=S,0.94697,Inactive,12289491,C=CCNC(N)=S,HTKFORQRBXIQHD-UHFFFAOYSA-N,allylthiourea,1549517.0,116.040819256,0.0056000000000002,38.05
+APIOLE,C=CCc1cc(OC)c2c(c1OC)OCO2,0.98974,Inactive,12321117,C=CCc1cc(OC)c2c(c1OC)OCO2,QQRSPHJOOXUALR-UHFFFAOYSA-N,apiole (parsley),10659.0,222.089208928,2.161,36.92
+RIBOFLAVIN,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C,0.98086,Inactive,12366994,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C,AUNGANRZJHBGPY-UHFFFAOYSA-N,"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)pentitol",1072.0,376.13828436,-1.7235599999999989,161.56
+PHENYL AMINOSALICYLATE,Nc1ccc(C(=O)Oc2ccccc2)c(O)c1,1.023625,Inactive,12379323,Nc1ccc(C(=O)Oc2ccccc2)c(O)c1,DNVVZWSVACQWJE-UHFFFAOYSA-N,phenyl aminosalicylate,8609.0,229.073893212,2.1936,72.55000000000001
+DEHYDROACETIC ACID,CC(=O)C1C(=O)C=C(C)OC1=O,0.84095,Inactive,12460091,CC(=O)C1C(=O)C=C(C)OC1=O,PGRHXDWITVMQBC-UHFFFAOYSA-N,"3-acetyl-6-methylpyran-2,4-dione",122903.0,168.042258736,0.2213,60.440000000000005
+PUROMYCIN DIHYDROCHLORIDE,COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1.Cl.Cl,0.71668,Inactive,12499591,COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1.Cl.Cl,MKSVFGKWZLUTTO-UHFFFAOYSA-N,puromycin dihydrochloride from streptomyces alboniger powder,16757772.0,543.1763724520001,0.0499000000000008,160.88
+OXIGLUTATIONE,NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,1.0266,Inactive,12593362,NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,YPZRWBKMTBYPTK-UHFFFAOYSA-N,oxiglutathione,975.0,612.151962464,-3.8767999999999994,317.64
+SULFAMETHAZINE,Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,1.09495,Inactive,12597741,Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,ASWVTGNCAZCNNR-UHFFFAOYSA-N,sulfamethazine,5327.0,278.083746688,1.4764399999999998,97.97
+LUMIRACOXIB,Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1,1.02575,Inactive,12878695,Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1,KHPKQFYUPIUARC-UHFFFAOYSA-N,lumiracoxib,151166.0,293.061884556,4.158220000000002,49.33
+GLIMEPIRIDE,CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)C1=O,0.98322,Inactive,13031199,CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)C1=O,WIGIZIANZCJQQY-UHFFFAOYSA-N,glimepiride,3476.0,490.224991188,3.0740000000000016,124.68
+OLEANOLIC ACID,CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,1.0288,Inactive,13509982,CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,MIJYXULNPSFWEK-UHFFFAOYSA-N,3-hydroxyolean-12-en-28-oic acid,619166.0,456.360345396,7.233600000000009,57.53
+IRIGENIN,COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OC,1.004685,Inactive,13519710,COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OC,TUGWPJJTQNLKCL-UHFFFAOYSA-N,irigenin,5464170.0,360.084517472,2.6026000000000007,118.59
+TYLOSIN TARTRATE,CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(OC)C1OC.O=C(O)C(O)C(O)C(=O)O,1.08705,Inactive,13556102,CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(OC)C1OC.O=C(O)C(O)C(O)C(=O)O,ICVKYYINQHWDLM-UHFFFAOYSA-N,tylosin tartrate powder,155885870.0,1065.5355879160004,-0.2890999999999813,353.73
+LARIXOL ACETATE,C=CC(C)(O)CCC1C(=C)CC(OC(C)=O)C2C(C)(C)CCCC12C,0.719915,Inactive,13574492,C=CC(C)(O)CCC1C(=C)CC(OC(C)=O)C2C(C)(C)CCCC12C,WCNCDVQMEQJFGH-UHFFFAOYSA-N,"[4-(3-hydroxy-3-methylpent-4-enyl)-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1h-naphthalen-1-yl] acetate",5226790.0,348.266445012,5.044000000000005,46.53
+BIOTIN,O=C(O)CCCCC1SCC2NC(=O)NC21,1.00255,Inactive,13763391,O=C(O)CCCCC1SCC2NC(=O)NC21,YBJHBAHKTGYVGT-UHFFFAOYSA-N,"5-(2-oxo-hexahydro-1h-thieno(3,4-d)imidazolidin-4-yl)pentanoic acid",253.0,244.088163372,0.7968000000000001,78.43
+NALED,COP(=O)(OC)OC(Br)C(Cl)(Cl)Br,0.944515,Inactive,13787737,COP(=O)(OC)OC(Br)C(Cl)(Cl)Br,BUYMVQAILCEWRR-UHFFFAOYSA-N,naled,4420.0,377.782574894,3.651200000000001,44.760000000000005
+LEVONORDEFRIN,CC(N)C(O)c1ccc(O)c(O)c1,1.05455,Inactive,13851192,CC(N)C(O)c1ccc(O)c(O)c1,GEFQWZLICWMTKF-UHFFFAOYSA-N,nordefrin,3917.0,183.089543276,0.4784,86.71000000000001
+CELECOXIB,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,0.81145,Inactive,13856050,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,RZEKVGVHFLEQIL-UHFFFAOYSA-N,celecoxib,2662.0,381.075882348,3.5139200000000006,77.98
+PENTACHLOROPHENOL,Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0.73824,Inactive,13946057,Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,IZUPBVBPLAPZRR-UHFFFAOYSA-N,pentachlorophenol,992.0,263.847003052,4.6592,20.23
+TRAMADOL HYDROCHLORIDE,COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl,1.025545,Inactive,14211124,COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl,PPKXEPBICJTCRU-UHFFFAOYSA-N,tramal,9971980.0,299.165206752,3.0564000000000022,32.7
+FERROUS FUMARATE,O=C([O-])C=CC(=O)[O-].[Fe+2],1.04382,Inactive,14287699,O=C([O-])C=CC(=O)[O-].[Fe+2],PMVSDNDAUGGCCE-UHFFFAOYSA-L,but-2-enedioate;iron(2+),8829.0,169.930246044,-2.9601,80.25999999999999
+PIOGLITAZONE HYDROCHLORIDE,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl,1.0698,Inactive,14667397,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl,GHUUBYQTCDQWRA-UHFFFAOYSA-N,pioglitazone hydrochloride,60560.0,392.096141212,3.5814000000000026,68.28999999999999
+QUIPAZINE MALEATE,O=C(O)C=CC(=O)O.c1ccc2nc(N3CCNCC3)ccc2c1,0.991405,Inactive,14861217,O=C(O)C=CC(=O)O.c1ccc2nc(N3CCNCC3)ccc2c1,QYJJDHZHSCTBII-UHFFFAOYSA-N,quipazine (maleate),22027.0,329.13755608800005,1.3562,102.76
+FLUOCINONIDE,CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,1.16535,Inactive,14895101,CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,WJOHZNCJWYWUJD-UHFFFAOYSA-N,metosyn,3382.0,494.211609804,2.937600000000001,99.13
+BENACTYZINE HYDROCHLORIDE,CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.Cl,1.0101,Inactive,14945191,CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.Cl,ZCEHOOLYWQBGQO-UHFFFAOYSA-N,benactyzine hydrochloride,66448.0,363.160121372,3.2293000000000025,49.77
+AZAPERONE,O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,1.02345,Inactive,14988858,O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,XTKDAFGWCDAMPY-UHFFFAOYSA-N,azaperone,15443.0,327.174690544,3.0058000000000016,36.440000000000005
+CYPROTERONE,CC(=O)C1(O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C,1.149,Inactive,15080530,CC(=O)C1(O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C,DUSHUSLJJMDGTE-UHFFFAOYSA-N,"1-acetyl-5-chloro-1-hydroxy-8b,10a-dimethyl-2,3,3a,3b,7a,8,8a,8b,8c,9,10,10a-dodecahydrocyclopenta[a]cyclopropa[g]phenanthren-7(1h)-one",3015.0,374.1648724040001,4.036800000000003,54.37
+DALBERGIONE,C=CC(C1=CC(=O)C=CC1=O)c1ccccc1,1.024145,Inactive,15102326,C=CC(C1=CC(=O)C=CC1=O)c1ccccc1,GHCDJBVCFINEBQ-UHFFFAOYSA-N,dalbergione,3015195.0,224.083729624,2.590600000000001,34.14
+TRIBROMOETHANOL,OCC(Br)(Br)Br,1.015725,Inactive,15308482,OCC(Br)(Br)Br,YFDSDPIBEUFTMI-UHFFFAOYSA-N,tribromoethanol,6400.0,279.77340101600004,1.8172,20.23
+CHOLESTERYL ACETATE,CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1,0.865765,Inactive,15309132,CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1,XUGISPSHIFXEHZ-UHFFFAOYSA-N,cholest-5-en-3-yl acetate,222529.0,428.365430776,7.95950000000001,26.3
+THEAFLAVIN MONOGALLATES,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(=O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3O)c2c1)c1cc(O)c(O)c(O)c1,0.93618,Inactive,15327935,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(=O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3O)c2c1)c1cc(O)c(O)c(O)c1,KMJPKUVSXFVQGZ-UHFFFAOYSA-N,"[5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2h-chromen-2-yl)benzo[7]annulen-8-yl]-3,4-dihydro-2h-chromen-3-yl] 3,4,5-trihydroxybenzoate",4657307.0,716.137734816,3.194900000000003,284.36
+PANTOTHENIC ACID(d) Na salt,CC(C)(CO)C(O)C(=O)NCCC(=O)[O-].[Na+],1.0257,Inactive,15403565,CC(C)(CO)C(O)C(=O)NCCC(=O)[O-].[Na+],GQTHJBOWLPZUOI-UHFFFAOYSA-M,"beta-alanine, n-[(2r)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, monosodium salt",23679634.0,241.092616892,-5.373999999999996,109.69
+PHYTONADIONE [5mM],CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCCC(C)CCCC(C)CCCC(C)C,0.945125,Inactive,15502633,CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCCC(C)CCCC(C)CCCC(C)C,MBWXNTAXLNYFJB-UHFFFAOYSA-N,"2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthoquinone",4812.0,450.349780712,9.1576,34.14
+TACROLIMUS,C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC,0.93218,Inactive,15539533,C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC,QJJXYPPXXYFBGM-UHFFFAOYSA-N,19-epi fk-506,5372.0,803.4819766480001,4.639000000000004,178.35999999999996
+FLUOROURACIL,O=c1[nH]cc(F)c(=O)[nH]1,0.47461,Inactive,15968459,O=c1[nH]cc(F)c(=O)[nH]1,GHASVSINZRGABV-UHFFFAOYSA-N,fluorouracil,3385.0,130.017855556,-0.7977000000000001,65.72
+ACETYL EVERNINIC ACID,COc1cc(C)c(C(=O)O)c(OC(C)=O)c1,0.993395,Inactive,16120610,COc1cc(C)c(C(=O)O)c(OC(C)=O)c1,URQLZJHAKAZWEI-UHFFFAOYSA-N,2-acetyloxy-4-methoxy-6-methylbenzoic acid,121219704.0,224.068473484,1.62712,72.83000000000001
+RIMANTADINE HYDROCHLORIDE,CC(N)C12CC3CC(CC(C3)C1)C2.Cl,1.03638,Inactive,16122026,CC(N)C12CC3CC(CC(C3)C1)C2.Cl,OZBDFBJXRJWNAV-UHFFFAOYSA-N,rimantadine hydrochloride,15165.0,215.144077384,2.971800000000002,26.02
+"3,4'-DIHYDROXYFLAVONE",O=c1c(O)c(-c2ccc(O)cc2)oc2ccccc12,0.981165,Inactive,16228121,O=c1c(O)c(-c2ccc(O)cc2)oc2ccccc12,GPGOCTLAUAHUQO-UHFFFAOYSA-N,"3,4'-dihydroxyflavone",688715.0,254.0579088,2.871200000000001,70.67
+CILNIDIPINE,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,1.01175,Inactive,16522743,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,KJEBULYHNRNJTE-UHFFFAOYSA-N,"2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid o3-(2-methoxyethyl) ester o5-(3-phenylprop-2-enyl) ester",2752.0,492.189651236,4.275800000000004,117.0
+AMEZINIUM METILSULFATE,COS(=O)(=O)[O-].COc1cc(N)cn[n+]1-c1ccccc1,0.987015,Inactive,16738066,COS(=O)(=O)[O-].COc1cc(N)cn[n+]1-c1ccccc1,ZEASXVYVFFXULL-UHFFFAOYSA-N,amezinium metilsulfate,71926.0,313.07324158,0.0421000000000004,118.45
+TOTARALOLAL,CC(C)c1c(O)ccc2c1CCC1C(C)(C=O)CCCC21C,0.976055,Inactive,16756844,CC(C)c1c(O)ccc2c1CCC1C(C)(C=O)CCCC21C,QMRLEXVAVRHWSE-UHFFFAOYSA-N,"7-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde",3478376.0,300.208930136,4.7248000000000046,37.3
+ELETRIPTAN HYDROBROMIDE,Br.CN1CCCC1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,1.02413,Inactive,16782714,Br.CN1CCCC1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,UTINOWOSWSPFLJ-UHFFFAOYSA-N,5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1h-indole;hydrobromide,156849.0,462.097661204,4.398900000000004,53.17
+TIMONACIC,O=C(O)C1CSCN1,0.940135,Inactive,16788198,O=C(O)C1CSCN1,DZLNHFMRPBPULJ-UHFFFAOYSA-N,timonacic,9934.0,133.019749464,-0.2664999999999999,49.33
+EMEDASTINE DIFUMARATE,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O,1.1072,Inactive,16857926,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O,FWLKKPKZQYVAFR-UHFFFAOYSA-N,kb 2413; kg 2413; ly 188695; rapimine,441330.0,534.2325786679999,1.6383000000000016,182.73
+CRESOL,Cc1ccc(O)cc1,1.04622,Inactive,16915019,Cc1ccc(O)cc1,IWDCLRJOBJJRNH-UHFFFAOYSA-N,p-cresol,2879.0,108.057514876,1.7006199999999998,20.23
+IPRONIAZID PHOSPHATE,CC(C)NNC(=O)c1ccncc1.O=P(O)(O)O,1.012775,Inactive,16936034,CC(C)NNC(=O)c1ccncc1.O=P(O)(O)O,YPDVTKJXVHYWFY-UHFFFAOYSA-N,iproniazid phosphate,9367.0,277.082757242,-0.2042000000000005,131.78
+TEMAZEPAM,CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21,0.84896,Inactive,17112874,CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21,SEQDDYPDSLOBDC-UHFFFAOYSA-N,temazepam,5391.0,300.066555336,2.4722,52.900000000000006
+AVOBENZONE,COc1ccc(C(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1,1.08795,Inactive,17155592,COc1ccc(C(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1,XNEFYCZVKIDDMS-UHFFFAOYSA-N,avobenzone,51040.0,310.156894564,4.448400000000004,43.370000000000005
+TOBRAMYCIN,NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,0.044455,Active,17206037,NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,NLVFBUXFDBBNBW-UHFFFAOYSA-N,tobracin,5496.0,467.259127764,-6.295799999999999,268.17
+TIMOLOL MALEATE,CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1.O=C(O)C=CC(=O)O,0.974,Inactive,17280944,CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1.O=C(O)C=CC(=O)O,WLRMANUAADYWEA-UHFFFAOYSA-N,(r)-timolol (maleate),329565.0,432.1678702359999,0.214300000000002,154.34
+FORMESTANE,CC1=C2CCC3C4CCC(=O)C4(C)CCC3C2(C)CCC1=O,1.1182,Inactive,17310325,CC1=C2CCC3C4CCC(=O)C4(C)CCC3C2(C)CCC1=O,ISMVMNHPEDSOTR-UHFFFAOYSA-N,"4,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione",4375537.0,300.208930136,4.477500000000004,34.14
+TILORONE,CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2,1.02719,Inactive,17324980,CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2,MPMFCABZENCRHV-UHFFFAOYSA-N,tilorone,5475.0,410.256942948,4.339200000000004,42.01
+ADENOSINE TRIPHOSPHATE DISODIUM,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)([O-])OP(=O)([O-])O)C(O)C1O.[Na+].[Na+],1.04205,Inactive,17423899,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)([O-])OP(=O)([O-])O)C(O)C1O.[Na+].[Na+],TTWYZDPBDWHJOR-UHFFFAOYSA-L,cid 3830314,3830314.0,550.9596339579999,-8.885000000000003,284.79
+SAFROLE,C=CCc1ccc2c(c1)OCO2,1.08155,Inactive,17474700,C=CCc1ccc2c(c1)OCO2,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,safrole,5144.0,162.06807956,2.1438,18.46
+SODIUM CYCLAMATE,O=S(=O)([O-])NC1CCCCC1.[Na+],1.03755,Inactive,17524322,O=S(=O)([O-])NC1CCCCC1.[Na+],UDIPTWFVPPPURJ-UHFFFAOYSA-M,sodium cyclamate,23665706.0,201.043558524,-2.6270999999999978,69.23
+SOLANESYL ACETATE,CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,1.1095,Inactive,17636550,CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,JQXXWBAHSBAIEK-UHFFFAOYSA-N,"3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate",78421842.0,672.584531672,15.32769999999996,26.3
+LORATADINE,CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,0.852385,Inactive,17738712,CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,JCCNYMKQOSZNPW-UHFFFAOYSA-N,loratadine,3957.0,382.144805656,4.887800000000005,42.43
+CHLORAMBUCIL,O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1,1.007935,Inactive,17774388,O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1,JCKYGMPEJWAADB-UHFFFAOYSA-N,chlorambucil,2708.0,303.07928420800005,3.377900000000002,40.54
+PAPAVERINE HYDROCHLORIDE,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl,0.958605,Inactive,18029783,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl,UOTMYNBWXDUBNX-UHFFFAOYSA-N,papaverine hydrochloride,6084.0,375.123735864,4.281800000000005,49.81
+SERTRALINE HYDROCHLORIDE,CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl,0.261305,Inactive,18624770,CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl,BLFQGGGGFNSJKA-UHFFFAOYSA-N,"4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride",13408687.0,341.05048261599995,5.601400000000004,12.03
+VIOMYCIN SULFATE,NCCCC(N)CC(=O)NC1CNC(=O)C(C2CC(O)NC(N)=N2)NC(=O)C(=CNC(N)=O)NC(=O)C(CO)NC(=O)C(CO)NC1=O.O=S(=O)(O)O,0.992495,Inactive,18977327,NCCCC(N)CC(=O)NC1CNC(=O)C(C2CC(O)NC(N)=N2)NC(=O)C(=CNC(N)=O)NC(=O)C(CO)NC(=O)C(CO)NC1=O.O=S(=O)(O)O,AQONYROJHRNYQQ-UHFFFAOYSA-N,"3,6-diamino-n-[3-(2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexanamide;sulfuric acid",73792044.0,783.2929641200003,-9.535600000000017,467.46
+"5,7,4'-TRIMETHOXYISOFLAVONE",COc1ccc(-c2coc3cc(OC)cc(OC)c3c2=O)cc1,0.851635,Inactive,19172416,COc1ccc(-c2coc3cc(OC)cc(OC)c3c2=O)cc1,PVVORTURQPBPEQ-UHFFFAOYSA-N,"4',5,7-trimethoxyisoflavone",136420.0,312.099773612,3.485800000000002,57.9
+OXYQUINOLINE HEMISULFATE,O=S(=O)(O)O.Oc1cccc2cccnc12,0.0985545,Active,19214834,O=S(=O)(O)O.Oc1cccc2cccnc12,MRUMAIRJPMUAPZ-UHFFFAOYSA-N,8-hydroxyquinolinium hydrogen sulfate,6451191.0,243.020143388,1.2876,107.72
+SULFAMERAZINE,Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,0.825695,Inactive,19523323,Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,QPPBRPIAZZHUNT-UHFFFAOYSA-N,sulfamerazine,5325.0,264.068096624,1.16802,97.97
+ISOETHARINE MESYLATE,CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.CS(=O)(=O)O,1.0363,Inactive,19577418,CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.CS(=O)(=O)O,SOYAGMVKMXZVNZ-UHFFFAOYSA-N,isoetharine mesylate,23702.0,335.1402585199999,1.4118,127.09
+ANDROSTERONE,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O,1.0166,Inactive,19666438,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O,QGXBDMJGAMFCBF-UHFFFAOYSA-N,3beta-androsterone,225.0,290.2245802,3.959100000000003,37.3
+NICERGOLINE,COC12CC(COC(=O)c3cncc(Br)c3)CN(C)C1Cc1cn(C)c3cccc2c13,0.940535,Inactive,19681230,COC12CC(COC(=O)c3cncc(Br)c3)CN(C)C1Cc1cn(C)c3cccc2c13,YSEXMKHXIOCEJA-UHFFFAOYSA-N,"(10-methoxy-1,6-dimethylergolin-8-yl)methyl 5-bromopyridine-3-carboxylate",4475.0,483.115753792,3.9109000000000034,56.59
+METHYLPREDNISOLONE SODIUM SUCCINATE,CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)COC(=O)CCC(=O)[O-])C2(C)C=CC(=O)C=C12.[Na+],1.04785,Inactive,19906489,CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)COC(=O)CCC(=O)[O-])C2(C)C=CC(=O)C=C12.[Na+],FQISKWAFAHGMGT-UHFFFAOYSA-M,6 alpha-methylprednisolone sodium hemisuccinate;6(c) paragraph sign-methylprednisolone 21-hemisuccinate sodium salt,23680529.0,496.207312296,-2.111399999999993,141.03
+MEPRYLCAINE HYDROCHLORIDE,CCCNC(C)(C)COC(=O)c1ccccc1.Cl,1.02667,Inactive,20000404,CCCNC(C)(C)COC(=O)c1ccccc1.Cl,LKHWKAGQNOMUFQ-UHFFFAOYSA-N,"1-propanol, 2-methyl-2-(propylamino)-, 1-benzoate, hydrochloride (1:1)",101925.0,271.133906624,3.0434000000000023,38.33
+MELIBIOSE,OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,0.9293,Inactive,20006014,OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,DLRVVLDZNNYCBX-UHFFFAOYSA-N,"6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol",872.0,342.11621152399994,-5.397199999999993,189.53
+TERBUTALINE HEMISULFATE,CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O,0.964745,Inactive,20117379,CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O,MUPQZWGSBCWCAV-UHFFFAOYSA-N,terbutaline hemisulfate,657301.0,323.10387301199995,0.8665,147.32
+AGARIC ACID,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,0.962925,Inactive,20159337,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,HZLCGUXUOFWCCN-UHFFFAOYSA-N,agaricic acid,12629.0,416.2774036199999,4.849000000000004,132.13
+ISOFLUPREDONE ACETATE,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,1.16115,Inactive,20639394,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,ZOCUOMKMBMEYQV-UHFFFAOYSA-N,9alpha-fluoroprednisolone acetate,499988.0,420.194816868,2.2205000000000004,100.90000000000002
+BECLAMIDE,O=C(CCCl)NCc1ccccc1,1.0977,Inactive,20808251,O=C(CCCl)NCc1ccccc1,JPYQFYIEOUVJDU-UHFFFAOYSA-N,beclamide,10391.0,197.060741684,1.9317,29.1
+BENZYL ISOTHIOCYANATE,S=C=NCc1ccccc1,0.60346,Inactive,20961843,S=C=NCc1ccccc1,MDKCFLQDBWCQCV-UHFFFAOYSA-N,benzyl isothiocyanate,2346.0,149.029920224,2.2894000000000005,12.36
+FENDILINE HYDROCHLORIDE,CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1.Cl,1.1081,Inactive,21041718,CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1.Cl,NJXWZWXCHBNOOG-UHFFFAOYSA-N,"(3,3-diphenylpropyl)(1-phenylethyl)ammonium chloride",26154.0,351.17537751199995,5.981200000000006,12.03
+CLINDAMYCIN HYDROCHLORIDE,CCCC1CC(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)N(C)C1.Cl,0.80947,Inactive,21240306,CCCC1CC(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)N(C)C1.Cl,AUODDLQVRAJAJM-UHFFFAOYSA-N,"n-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride",21872021.0,460.15654854799993,0.8112999999999992,102.26
+PYROCATECHUIC ACID,O=C(O)c1cccc(O)c1O,1.00937,Inactive,21560333,O=C(O)c1cccc(O)c1O,GLDQAMYCGOIJDV-UHFFFAOYSA-N,"2,3-dihydroxybenzoic acid",19.0,154.026608672,0.7959999999999998,77.76
+BETULIN,C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,0.91458,Inactive,21585789,C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,FVWJYYTZTCVBKE-UHFFFAOYSA-N,"lup-20(29)-ene-3beta,28-diol",221023.0,442.38108084,6.997200000000009,40.46
+OXYPHENCYCLIMINE HYDROCHLORIDE,CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl,1.000685,Inactive,21641591,CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl,WXAYTPABEADAAB-UHFFFAOYSA-N,oxyphencyclimine hydrochloride,66061.0,380.1866704680001,3.153500000000001,62.13
+FENACLON,O=C(CCCl)NCCc1ccccc1,1.0702,Inactive,21667250,O=C(CCCl)NCCc1ccccc1,BITWVVLBVUMFHU-UHFFFAOYSA-N,fenaclon,9376.0,211.076391748,1.9742,29.1
+MOXALACTAM DISODIUM,COC1(NC(=O)C(C(=O)[O-])c2ccc(O)cc2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)COC21.[Na+].[Na+],0.048303,Active,21711426,COC1(NC(=O)C(C(=O)[O-])c2ccc(O)cc2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)COC21.[Na+].[Na+],GRIXGZQULWMCLU-UHFFFAOYSA-L,sodium morrhuate,47500.0,564.0651357160002,-9.78910000000001,211.95999999999995
+DIBUTYL PHTHALATE,CCCCOC(=O)c1ccccc1C(=O)OCCCC,1.1148,Inactive,21789988,CCCCOC(=O)c1ccccc1C(=O)OCCCC,DOIRQSBPFJWKBE-UHFFFAOYSA-N,dibutyl phthalate,3026.0,278.151809184,3.600400000000003,52.60000000000001
+NITENPYRAM,CCN(Cc1ccc(Cl)nc1)C(=C[N+](=O)[O-])NC,0.953595,Inactive,21825765,CCN(Cc1ccc(Cl)nc1)C(=C[N+](=O)[O-])NC,CFRPSFYHXJZSBI-UHFFFAOYSA-N,1-[n-(6-chloro-3-pyridylmethyl)-n-ethylamino]-1-methylamino-2-nitroethylene,86457.0,270.0883534,1.8519,71.3
+"3,7-DIHYDROXYFLAVONE",O=c1c(O)c(-c2ccccc2)oc2cc(O)ccc12,1.0821,Inactive,21870030,O=c1c(O)c(-c2ccccc2)oc2cc(O)ccc12,UWQJWDYDYIJWKY-UHFFFAOYSA-N,"3,7-dihydroxyflavone",5393152.0,254.0579088,2.871200000000001,70.67
+ESCITALOPRAM OXALATE,CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O,1.0829,Inactive,21938323,CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O,KTGRHKOEFSJQNS-UHFFFAOYSA-N,citalopram oxalate,21871605.0,414.159100056,2.968580000000001,110.86
+LACTOBIONIC ACID,O=C(O)C(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO,0.89981,Inactive,22007979,O=C(O)C(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO,JYTUSYBCFIZPBE-UHFFFAOYSA-N,"2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid",60793.0,358.1111261439999,-5.668899999999993,217.6
+GEMFIBROZIL,Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,1.17945,Inactive,22106643,Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,HEMJJKBWTPKOJG-UHFFFAOYSA-N,gemfibrozil,3463.0,250.156894564,3.573240000000002,46.53
+NORTRIPTYLINE HYDROCHLORIDE,CNCCC=C1c2ccccc2CCc2ccccc21.Cl,1.07345,Inactive,22557414,CNCCC=C1c2ccccc2CCc2ccccc21.Cl,SHAYBENGXDALFF-UHFFFAOYSA-N,"methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]azanium;chloride",13468.0,299.144077384,4.248200000000004,12.03
+YOHIMBINE HYDROCHLORIDE,COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21.Cl,1.0964,Inactive,22932384,COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21.Cl,PIPZGJSEDRMUAW-UHFFFAOYSA-N,"methyl 18-hydroxy-3,11,12,13,14,15,16,17,18,19,20,21-dodecahydro-1h-yohimban-13-ium-19-carboxylate;chloride",5458953.0,390.1710204040001,3.068900000000001,65.56
+CYCLOVERATRYLENE,COc1cc2c(cc1OC)Cc1cc(OC)c(OC)cc1Cc1cc(OC)c(OC)cc1C2,0.87533,Inactive,23341536,COc1cc2c(cc1OC)Cc1cc(OC)c(OC)cc1Cc1cc(OC)c(OC)cc1C2,YECHEDVCXXVLIY-UHFFFAOYSA-N,cyclotriveratrylene,273730.0,450.20423868,4.824000000000004,55.38000000000001
+NICOTINE BITARTRATE,CN1CCCC1c1cccnc1.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O,1.1433,Inactive,23475560,CN1CCCC1c1cccnc1.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O,RFEJUZJILGIRHQ-UHFFFAOYSA-N,nicotine bi-l-(+)-tartrate,10434468.0,462.1485742719998,-2.396899999999996,246.24999999999997
+SECNIDAZOLE,Cc1ncc([N+](=O)[O-])n1CC(C)O,0.99919,Inactive,23494331,Cc1ncc([N+](=O)[O-])n1CC(C)O,KPQZUUQMTUIKBP-UHFFFAOYSA-N,secnidazole,71815.0,185.080041212,0.4805199999999999,81.19
+ERYTHROMYCIN ETHYLSUCCINATE,CCOC(=O)CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C,0.708945,Inactive,23508780,CCOC(=O)CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C,NSYZCCDSJNWWJL-UHFFFAOYSA-N,"butanedioic acid o4-[4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-3-oxanyl] ester o1-ethyl ester",3256.0,861.5085853200001,2.6798000000000077,226.28
+CAMYLOFINE DIHYDROCHLORIDE,CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1.Cl.Cl,1.1583,Inactive,23511589,CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1.Cl.Cl,ZHRVNCCPAKIGRH-UHFFFAOYSA-N,diethyl-[2-[[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azaniumyl]ethyl]azanium;dichloride,22182.0,392.199733688,4.092000000000004,41.57000000000001
+DOXYCYCLINE HYDROCHLORIDE,CC1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C21.Cl,0.059537,Active,23655703,CC1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C21.Cl,RUYHIJHUVHIMIR-UHFFFAOYSA-N,,,480.12994344,0.0742000000000003,181.62
+PIZOTYLINE MALATE,CN1CCC(=C2c3ccccc3CCc3sccc32)CC1.O=C(O)CC(O)C(=O)O,1.07188,Inactive,23672413,CN1CCC(=C2c3ccccc3CCc3sccc32)CC1.O=C(O)CC(O)C(=O)O,IWAWCPZVTXCFKD-UHFFFAOYSA-N,pizotifen malate,168993.0,429.1609939639999,3.2808000000000006,98.07
+TEMEFOS,COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1,0.9861,Inactive,23866632,COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1,WWJZWCUNLNYYAU-UHFFFAOYSA-N,temephos,5392.0,465.98972462,5.630000000000004,55.38000000000001
+DIMESNA,O=S(=O)([O-])CCSSCCS(=O)(=O)[O-].[Na+].[Na+],1.0672,Inactive,23997451,O=S(=O)([O-])CCSSCCS(=O)(=O)[O-].[Na+].[Na+],KQYGMURBTJPBPQ-UHFFFAOYSA-L,dimesna,65625.0,325.89991053600005,-6.533799999999998,114.4
+PICROPODOPHYLLIN,COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC,0.871335,Inactive,24046777,COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC,YJGVMLPVUAXIQN-UHFFFAOYSA-N,"(5r,5as,8ar,9r)-5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one",4865.0,414.1314676639999,2.4092,92.68
+4-METHYLESCULETIN,Cc1cc(=O)oc2cc(O)c(O)cc12,1.03981,Inactive,24179546,Cc1cc(=O)oc2cc(O)c(O)cc12,KVOJTUXGYQVLAJ-UHFFFAOYSA-N,"6,7-dihydroxy-4-methylcoumarin",5319502.0,192.042258736,1.5126199999999996,70.67
+3-METHOXYCATECHOL,COc1cccc(O)c1O,0.983905,Inactive,24285550,COc1cccc(O)c1O,LPYUENQFPVNPHY-UHFFFAOYSA-N,3-methoxycatechol,13622.0,140.047344116,1.1063999999999996,49.69
+DESLORATIDINE,Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,0.969015,Inactive,24407365,Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,JAUOIFJMECXRGI-UHFFFAOYSA-N,desloratadine,124087.0,310.123676288,4.018900000000002,24.92
+CYCLIZINE,CN1CCN(C(c2ccccc2)c2ccccc2)CC1,1.1259,Inactive,24471819,CN1CCN(C(c2ccccc2)c2ccccc2)CC1,UVKZSORBKUEBAZ-UHFFFAOYSA-N,cyclizine,6726.0,266.178298704,3.0234000000000014,6.48
+SODIUM LACTATE,CC(O)C(=O)[O-].[Na+],0.863945,Inactive,24491790,CC(O)C(=O)[O-].[Na+],NGSFWBMYFKHRBD-UHFFFAOYSA-M,sodium lactate,23666456.0,112.0136383,-4.878899999999999,60.36
+DIPYRONE,Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.[Na+],1.01191,Inactive,24503893,Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.[Na+],DJGAAPFSPWAYTJ-UHFFFAOYSA-M,dipyrone,522325.0,333.0759212720001,-2.5726799999999965,87.37
+DUARTIN (-),COc1ccc(C2COc3c(ccc(O)c3OC)C2)c(OC)c1O,1.0649,Inactive,24678019,COc1ccc(C2COc3c(ccc(O)c3OC)C2)c(OC)c1O,QVVPJFBYFYYVDM-UHFFFAOYSA-N,"7,3'-dihydroxy-8,2',4'-trimethoxyisoflavan",3666064.0,332.12598835999995,2.842300000000002,77.38000000000001
+AVOCATIN A,C#CCCCCCCCCCCCC(O)CC(O)COC(C)=O.C=CCCCCCCCCCCCC(O)CC(O)COC(C)=O,1.0314,Inactive,24698979,C#CCCCCCCCCCCCC(O)CC(O)COC(C)=O.C=CCCCCCCCCCCCC(O)CC(O)COC(C)=O,VPOWSDDTEVCUHB-UHFFFAOYSA-N,avocatin a,6710728.0,654.5070692,7.72420000000001,133.52
+DORZOLAMIDE,CCNC1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.Cl,1.10985,Inactive,24834566,CCNC1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.Cl,OSRUSFPMRGDLAG-UHFFFAOYSA-N,rac-cis dorzolamide hydrochloride,9863722.0,360.003897704,1.0337999999999998,106.32999999999998
+PICOLAMINE,NCc1cccnc1,0.975775,Inactive,24843303,NCc1cccnc1,HDOUGSFASVGDCS-UHFFFAOYSA-N,picolamine,31018.0,108.068748256,0.5403,38.91
+AMINOGLUTETHIMIDE,CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,1.1142,Inactive,24845819,CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,ROBVIMPUHSLWNV-UHFFFAOYSA-N,aminoglutethimide,2145.0,232.121177752,1.3532,72.19
+TRICLABENDAZOLE,CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,0.81989,Inactive,25010663,CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,NQPDXQQQCQDHHW-UHFFFAOYSA-N,triclabendazole,50248.0,357.9501169480001,6.037300000000002,37.91
+gamma-AMINOBUTYRIC ACID HYDROCHLORIDE,Cl.NCCCC(=O)O,0.905435,Inactive,25210794,Cl.NCCCC(=O)O,QPGLUEKHBNOAHG-UHFFFAOYSA-N,gamma-aminobutyric acid hydrochloride,210329.0,139.04000624,0.2316999999999999,63.32000000000001
+IODIPAMIDE,O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I,1.0603,Inactive,25268323,O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I,FFINMCNLQNTKLU-UHFFFAOYSA-N,iodipamide,3739.0,1139.512024168,6.848200000000003,132.79999999999998
+7-DEACETOXY-7-OXOKHIVORIN,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(=O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C,0.958465,Inactive,25554447,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(=O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C,IKFXPERBVFYFMS-UHFFFAOYSA-N,"[13-acetyloxy-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,19-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-15-yl] acetate",3284457.0,542.251582796,4.326300000000004,121.64
+ISOLEUCINE (L),CCC(C)C(N)C(=O)O,0.92251,Inactive,25665903,CCC(C)C(N)C(=O)O,AGPKZVBTJJNPAG-UHFFFAOYSA-N,2-amino-3-methylpentanoic acid,791.0,131.094628656,0.4443999999999999,63.32000000000001
+"1,2alpha-EPOXYDEACETOXYDIHYDROGEDUNIN",CC1(C)C(=O)C2OC2C2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,1.10545,Inactive,25715442,CC1(C)C(=O)C2OC2C2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,UIUKQADPLSFRBN-UHFFFAOYSA-N,"1-(3-furyl)-5-hydroxy-4b,7,7,9b,11a-pentamethyldodecahydrooxireno[2,3-d]oxireno[2',3':7,8]naphtho[2,1-f]isochromene-3,8(3ah,4bh)-dione",628811.0,456.2148033639999,3.201100000000002,101.8
+QUINESTROL,C#CC1(O)CCC2C3CCc4cc(OC5CCCC5)ccc4C3CCC21C,1.02395,Inactive,25742338,C#CC1(O)CCC2C3CCc4cc(OC5CCCC5)ccc4C3CCC21C,PWZUUYSISTUNDW-UHFFFAOYSA-N,17-ethynylestradiol cyclopentyl ether,1451.0,364.240230264,5.228400000000006,29.46
+SULFAQUINOXALINE SODIUM,Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1.[Na+],0.99383,Inactive,25761523,Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1.[Na+],WXUQBKOBXREBBX-UHFFFAOYSA-N,sulfaquinoxaline sodium,3693427.0,322.05004087200007,-0.3899000000000001,100.04
+ALLANTOIN,NC(=O)NC1NC(=O)NC1=O,0.98636,Inactive,25984782,NC(=O)NC1NC(=O)NC1=O,POJWUDADGALRAB-UHFFFAOYSA-N,allantoin,204.0,158.043990052,-2.1798,113.32
+meta-CRESYL ACETATE,CC(=O)Oc1cccc(C)c1,0.95751,Inactive,26112965,CC(=O)Oc1cccc(C)c1,OTGAHJPFNKQGAE-UHFFFAOYSA-N,"acetic acid, 3-methylphenyl ester",67406.0,150.06807956,1.92032,26.3
+TELMISARTAN,CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,0.906695,Inactive,26136560,CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,RMMXLENWKUUMAY-UHFFFAOYSA-N,telmisartan,65999.0,514.2368762,7.2644200000000065,72.94
+CEFDITORIN PIVOXIL,CON=C(C(=O)NC1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C=Cc3scnc3C)CSC12)c1csc(N)n1,0.049189,Active,26267298,CON=C(C(=O)NC1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C=Cc3scnc3C)CSC12)c1csc(N)n1,AFZFFLVORLEPPO-UHFFFAOYSA-N,"2,2-dimethylpropanoyloxymethyl 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",6728941.0,620.118160236,2.2981199999999986,175.40000000000003
+OXAPROZIN,O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,1.15885,Inactive,26454321,O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,OFPXSFXSNFPTHF-UHFFFAOYSA-N,oxaprozin,4614.0,293.10519334,4.025800000000003,63.33
+METHYL TRIMETHOXYCINNAMATE,COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1,1.10085,Inactive,26604157,COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1,KLXHCGFNNUQTEY-UHFFFAOYSA-N,"methyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate",146047.0,252.099773612,1.8986,53.99000000000001
+ISOLIQUIRITIGENIN,O=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1O,1.024655,Inactive,26762233,O=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1O,DXDRHHKMWQZJHT-UHFFFAOYSA-N,gu17;isl;isoliquiritigen,425.0,256.073558864,2.699500000000001,77.76
+LANOSTEROL ACETATE,CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(C)CCC=C(C)C)C1(C)CC3,0.975375,Inactive,26836191,CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(C)CCC=C(C)C)C1(C)CC3,BQPPJGMMIYJVBR-UHFFFAOYSA-N,"[4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate",313261.0,468.396730904,9.049900000000004,26.3
+GARCINOLIC ACID,CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CCCC1C(C)(C)OC2(CC=C(C)C(=O)O)C(=O)O)C3=O,1.0937,Inactive,27205253,CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CCCC1C(C)(C)OC2(CC=C(C)C(=O)O)C(=O)O)C3=O,VDSCKSOYNLTQSY-UHFFFAOYSA-N,"4-(3-carboxybut-2-enyl)-14-hydroxy-6,6,18-trimethyl-21-(3-methylbut-2-enyl)-18-(4-methylpent-3-enyl)-12-oxo-2,5,19-trioxapentacyclo[11.8.0.03,7.03,11.015,20]henicosa-1(13),10,14,16,20-pentaene-4-carboxylic acid",3422050.0,646.3141830520001,7.515100000000007,139.59000000000003
+CARAPIN,COC(=O)CC1C(C)(C)C(=O)C2CC3C4=CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,1.07475,Inactive,27311553,COC(=O)CC1C(C)(C)C(=O)C2CC3C4=CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,SWTDXMBCOHIACK-UHFFFAOYSA-N,"7,11-methano-2h-cycloocta[f][2]benzopyran-8-aceticacid,4-(3-furanyl)-4,4a,5,6,6a,7,8,9,10,11,12,12a-dodecahydro-4a,7,9,9-tetramethyl-2,10,13-trioxo-,methyl ester, (4r,4ar,7s,8s,11s)-",5194782.0,468.214803364,4.219900000000004,99.88
+METOPROLOL TARTRATE,COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)C(O)C(O)C(=O)O,1.16815,Inactive,27334680,COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)C(O)C(O)C(=O)O,WPTKISQJQVFSQI-UHFFFAOYSA-N,pharmakon1600-01500411,5702086.0,417.1998815719999,-0.5093999999999974,165.77999999999997
+NIMUSTINE HYDROCHLORIDE,Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1.Cl,1.0917,Inactive,27394533,Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1.Cl,KPMKNHGAPDCYLP-UHFFFAOYSA-N,nimustine hydrochloride,91657.0,308.055529048,1.2208199999999998,113.57
+BACCATIN III,CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(O)C(C)=C1C2(C)C,1.01032,Inactive,27409254,CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(O)C(C)=C1C2(C)C,OVMSOCFBDVBLFW-UHFFFAOYSA-N,"[(1s,2s,3r,4s,7r,9s,10s,12r,15s)-4,12-diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10.0^{4,7]heptadec-13-en-2-yl] benzoate",4357887.0,586.2414120359999,1.6525999999999994,165.89
+NANOFIN,CC1CCCC(C)N1,1.10925,Inactive,27558503,CC1CCCC(C)N1,SDGKUVSVPIIUCF-UHFFFAOYSA-N,nanofin,68843.0,113.12044948,1.5369,12.03
+TRIOXSALEN,Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1,1.0424,Inactive,27774224,Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1,FMHHVULEAZTJMA-UHFFFAOYSA-N,trioxsalen,5585.0,228.078644244,3.4644600000000025,43.35
+NIZATIDINE,CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1,0.96378,Inactive,27804427,CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1,SGXXNSQHWDMGGP-UHFFFAOYSA-N,nizatidine,4513.0,331.1136669120001,1.3224999999999998,83.33
+PROCARBAZINE HYDROCHLORIDE,CNNCc1ccc(C(=O)NC(C)C)cc1,1.0831,Inactive,27859814,CNNCc1ccc(C(=O)NC(C)C)cc1,CPTBDICYNRMXFX-UHFFFAOYSA-N,procarbazine,4915.0,221.152812228,1.0487999999999995,53.16
+SULFADOXINE,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,1.031585,Inactive,27885462,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,PJSFRIWCGOHTNF-UHFFFAOYSA-N,sulfadoxine,17134.0,310.073575928,0.8768,116.43
+AZTREONAM,CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,0.0498545,Active,27926044,CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,WZPBZJONDBGPKJ-UHFFFAOYSA-N,"2-[[1-(2-amino-1,3-thiazol-4-yl)-2-[(2-methyl-4-oxo-1-sulfoazetidin-3-yl)amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid",2274.0,435.051854504,-1.172499999999998,201.58
+NITRENDIPINE,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,0.765325,Inactive,27950404,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,PVHUJELLJLJGLN-UHFFFAOYSA-N,nitrendipine,4507.0,360.13213635999995,2.5657000000000005,107.77
+EPINEPHRINE BITARTRATE,CNCC(O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O,1.1698,Inactive,28010653,CNCC(O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O,YLXIPWWIOISBDD-UHFFFAOYSA-N,(-)-epinephrine (+)-bitartrate salt,12309655.0,333.105981188,-1.7719999999999998,187.78
+DABIGATRAN ETEXILATE MESYLATE,CCCCCCOC(=O)N=C(N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1.CS(=O)(=O)O,1.088,Inactive,28091840,CCCCCCOC(=O)N=C(N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1.CS(=O)(=O)O,XETBXHPXHHOLOE-UHFFFAOYSA-N,rendix,10439877.0,723.3050324000001,5.106600000000005,208.39999999999995
+CARBAZOCHROME,CN1CC(O)C2=CC(=NNC(N)=O)C(=O)C=C21,0.97835,Inactive,28514357,CN1CC(O)C2=CC(=NNC(N)=O)C(=O)C=C21,XSXCZNVKFKNLPR-UHFFFAOYSA-N,,,236.090940244,-1.2899999999999994,108.01999999999998
+PYRIMETHAMINE,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,0.78418,Inactive,28517032,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,WKSAUQYGYAYLPV-UHFFFAOYSA-N,pyrimethamine,4993.0,248.082874096,2.5238000000000005,77.82
+LINDANE,ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,1.02666,Inactive,28658327,ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,JLYXXMFPNIAWKQ-UHFFFAOYSA-N,hexachlorocyclohexane,727.0,287.860066272,3.644400000000001,0.0
+CEFACLOR,NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12)c1ccccc1,0.049089,Active,28711108,NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12)c1ccccc1,QYIYFLOTGYLRGG-UHFFFAOYSA-N,7-[(2-amino-2-phenylacetyl)amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,2609.0,367.039354608,0.6213000000000004,112.73
+ISOCOTOIN,COc1cc(O)cc(O)c1C(=O)c1ccccc1,0.74555,Inactive,28775777,COc1cc(O)cc(O)c1C(=O)c1ccccc1,CIKBLPYUSUJOHB-UHFFFAOYSA-N,isocotoin,10847865.0,244.073558864,2.3374,66.75999999999999
+HYDROXYCHLOROQUINE SULFATE,CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O,1.18235,Inactive,28833747,CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O,JCBIVZZPXRZKTI-UHFFFAOYSA-N,hydroxychloroquine sulfate,12947.0,433.1438196759999,3.1302000000000003,122.99
+PYRIDOXINE HYDROCHLORIDE,Cc1ncc(CO)c(CO)c1O.Cl,1.0547,Inactive,28835356,Cc1ncc(CO)c(CO)c1O.Cl,ZUFQODAHGAHPFQ-UHFFFAOYSA-N,pyridoxine hydrochloride,6019.0,205.050570924,0.5020199999999997,73.58000000000001
+ENALAPRIL MALEATE,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O.O=C(O)C=CC(=O)O,1.07155,Inactive,28935031,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O.O=C(O)C=CC(=O)O,OYFJQPXVCSSHAI-UHFFFAOYSA-N,mk-421 (maleate),53395224.0,492.2107806039999,1.316400000000002,170.54
+CASANTHRANOL [cascaroside A shown],O=C1c2c(O)cc(CO)cc2C(OC2OC(CO)C(O)C(O)C2O)c2cccc(OC3OC(CO)C(O)C(O)C3O)c21,1.06305,Inactive,29424244,O=C1c2c(O)cc(CO)cc2C(OC2OC(CO)C(O)C(O)C2O)c2cccc(OC3OC(CO)C(O)C(O)C3O)c21,ROODSNXIUAPCQO-UHFFFAOYSA-N,casanthranol [cascaroside a shown],162906190.0,596.1741203239999,-3.486499999999999,256.29
+MENAQUINONE-4,CC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O,0.960465,Inactive,29557267,CC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O,PTWSIIUEOFZCHW-UHFFFAOYSA-N,cid 439321,439321.0,308.177630008,5.464900000000005,34.14
+HEMATOPORPHYRIN,Cc1c(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C(C)O)c(C)c4C(C)O)c(C)c3CCC(=O)O,1.06285,Inactive,29653259,CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C(C)O)C(C)=C4C(C)O)c(C)c3CCC(=O)O,UJKPHYRXOLRVJJ-UHFFFAOYSA-N,"3-[18-(2-carboxyethyl)-7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",154438332.0,598.2791349360001,6.109140000000008,172.41999999999996
+PRONETALOL HYDROCHLORIDE,CC(C)NCC(O)c1ccc2ccccc2c1.Cl,0.86359,Inactive,29716617,CC(C)NCC(O)c1ccc2ccccc2c1.Cl,QONLGXRPRAIDGI-UHFFFAOYSA-N,pronetalol hydrochloride,60975.0,265.12334194,3.2930000000000024,32.26
+MELEZITOSE,OCC1OC(OC2C(O)C(CO)OC2(CO)OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,1.0802,Inactive,29745003,OCC1OC(OC2C(O)C(CO)OC2(CO)OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,QWIZNVHXZXRPDR-UHFFFAOYSA-N,hexopyranosyl-(1->3)hex-2-ulofuranosyl hexopyranoside,220003.0,504.1690349439998,-7.571399999999989,268.67999999999995
+FUMARPROTOCETRARIC ACID,Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(COC(=O)C=CC(=O)O)c(O)c(C(=O)O)c(C)c1O2,1.1396,Inactive,29746435,Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(COC(=O)C=CC(=O)O)c(O)c(C(=O)O)c(C)c1O2,VEGGRTFDFMUBPD-UHFFFAOYSA-N,"((7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11h-dibenzo(b,e)(1,4)dioxepin-9-yl)methyl) hydrogen fumarate",5358397.0,472.0641759519999,2.23424,193.96
+TRIENTINE HYDROCHLORIDE,Cl.Cl.NCCNCCNCCN,1.11845,Inactive,29759321,Cl.Cl.NCCNCCNCCN,WYHIICXRPHEJKI-UHFFFAOYSA-N,trientine hydrochloride,71433.0,218.106502,-1.0733999999999986,76.1
+GUAIFENESIN,COc1ccccc1OCC(O)CO,1.1121,Inactive,29784583,COc1ccccc1OCC(O)CO,HSRJKNPTNIJEKV-UHFFFAOYSA-N,guaifenesin,3516.0,198.089208928,0.4272000000000001,58.92
+QUININE,C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12,1.01565,Inactive,30045747,C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12,LOUPRKONTZGTKE-UHFFFAOYSA-N,"cinchonan-9-ol, 6'-methoxy-, (8alpha,9r)-",1065.0,324.183778008,3.1732000000000014,45.59
+HYDROCORTISONE,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,1.0261,Inactive,30102518,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,JYGXADMDTFJGBT-UHFFFAOYSA-N,"11,17,21-trihydroxypregn-4-ene-3,20-dione",3640.0,362.2093240599999,1.7815999999999996,94.83
+CARBAMAZEPINE,NC(=O)N1c2ccccc2C=Cc2ccccc21,1.0338,Inactive,30127623,NC(=O)N1c2ccccc2C=Cc2ccccc21,FFGPTBGBLSHEPO-UHFFFAOYSA-N,carbamazepine,2554.0,236.094963004,3.3872000000000018,46.330000000000005
+LINAGLIPTIN,CC#CCN1C(N2CCCC(N)C2)=NC2C1C(=O)N(Cc1nc(C)c3ccccc3n1)C(=O)N2C,0.921945,Inactive,30169757,CC#CCN1C(N2CCCC(N)C2)=NC2C1C(=O)N(Cc1nc(C)c3ccccc3n1)C(=O)N2C,BTGFGXRESYKOCS-UHFFFAOYSA-N,"8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-4,5-dihydropurine-2,6-dione",16724338.0,474.2491722,1.1449200000000028,111.26
+CITRULLINE,NC(=O)NCCCC(N)C(=O)O,1.07035,Inactive,30257331,NC(=O)NCCCC(N)C(=O)O,RHGKLRLOHDJJDR-UHFFFAOYSA-N,"citrulline, (+/-)-",833.0,175.095691276,-1.1531999999999991,118.44
+ESTRAGOLE,C=CCc1ccc(OC)cc1,0.9027,Inactive,30298757,C=CCc1ccc(OC)cc1,ZFMSMUAANRJZFM-UHFFFAOYSA-N,estragole,8815.0,148.088815004,2.4237,9.23
+DESOGESTREL,C#CC1(O)CCC2C3CCC4=CCCCC4C3C(=C)CC21CC,0.990535,Inactive,30446134,C#CC1(O)CCC2C3CCC4=CCCCC4C3C(=C)CC21CC,RPLCPCMSCLEKRS-UHFFFAOYSA-N,"13-ethyl-17-ethynyl-11-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-ol (non-preferred name)",4659180.0,310.22966558,4.869700000000004,20.23
+DIAZOXIDE,CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1,1.03285,Inactive,30536183,CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1,GDLBFKVLRPITMI-UHFFFAOYSA-N,diazoxide,3019.0,229.991676144,1.6818,58.53
+SITOSTERYL ACETATE,CCC(CCC(C)C1CCC2C3CC=C4CC(OC(C)=O)CCC4(C)C3CCC12C)C(C)C,1.14495,Inactive,30546091,CCC(CCC(C)C1CCC2C3CC=C4CC(OC(C)=O)CCC4(C)C3CCC12C)C(C)C,PBWOIPCULUXTNY-UHFFFAOYSA-N,stigmast-5-en-3-yl acetate,521199.0,456.396730904,8.595600000000006,26.3
+FELBINAC,O=C(O)Cc1ccc(-c2ccccc2)cc1,0.82088,Inactive,30718252,O=C(O)Cc1ccc(-c2ccccc2)cc1,QRZAKQDHEVVFRX-UHFFFAOYSA-N,felbinac,3332.0,212.083729624,2.980700000000001,37.3
+IDAZOXAN HYDROCHLORIDE,Cl.c1ccc2c(c1)OCC(C1=NCCN1)O2,0.93645,Inactive,30763926,Cl.c1ccc2c(c1)OCC(C1=NCCN1)O2,MYUBYOVCLMEAOH-UHFFFAOYSA-N,idazoxan hydrochloride,154494.0,240.066555336,1.2498999999999998,42.85
+BRUCINE,COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43,1.05275,Inactive,30943184,COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43,RRKTZKIUPZVBMF-UHFFFAOYSA-N,dimethoxy strychnine,220520.0,394.189257312,2.1097,51.24
+CARBENOXOLONE SODIUM,CC1(C(=O)[O-])CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(=O)CCC(=O)[O-])C(C)(C)C5CCC43C)C2C1.[Na+].[Na+],1.05895,Inactive,31343604,CC1(C(=O)[O-])CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(=O)CCC(=O)[O-])C(C)(C)C5CCC43C)C2C1.[Na+].[Na+],BQENDLAVTKRQMS-UHFFFAOYSA-L,carbenoxolone disodium salt,13055197.0,614.3195424360001,-1.8330999999999915,123.63
+DICHLOROPHEN,Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O,0.3982,Inactive,31384946,Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O,MDNWOSOZYLHTCG-UHFFFAOYSA-N,dichlorophene,3037.0,268.00578492,3.9954000000000014,40.46
+FLUVOXAMINE MALEATE,COCCCCC(=NOCCN)c1ccc(C(F)(F)F)cc1.O=C(O)C=CC(=O)O,0.94925,Inactive,31397005,COCCCCC(=NOCCN)c1ccc(C(F)(F)F)cc1.O=C(O)C=CC(=O)O,LFMYNZPAVPMEGP-UHFFFAOYSA-N,(e)-5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one o-(2-aminoethyl) oxime maleate,43725.0,434.1664711799999,2.9133000000000004,131.44
+VALETHAMATE BROMIDE,CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-],0.85746,Inactive,31475358,CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-],CEJGGHKJHDHLAZ-UHFFFAOYSA-M,valethamate bromide,7010.0,385.161641364,0.8499000000000017,26.3
+CYCLOBENZAPRINE HYDROCHLORIDE,CN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl,0.820225,Inactive,31610000,CN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl,VXEAYBOGHINOKW-UHFFFAOYSA-N,cyclobenzaprine hydrochloride,22576.0,311.144077384,4.9756000000000045,3.24
+HOMATROPINE HYDROBROMIDE,Br.CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2,1.10875,Inactive,31633465,Br.CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2,DWSGTFTVBLXELC-UHFFFAOYSA-N,dl-homatropine hydrobromide,5821.0,355.078305664,2.4663000000000004,49.77
+SULFLURAMID,CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.97249,Inactive,31869435,CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCEKAJIANROZEO-UHFFFAOYSA-N,sulfluramid,77797.0,526.984779172,4.892600000000002,46.17
+LAPACHOL,CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O,0.79581,Inactive,31903153,CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O,CIEYTVIYYGTCCI-UHFFFAOYSA-N,,,242.094294308,3.234000000000001,54.37
+EDOXABAN TOSYLATE HYDRATE,CN1CCc2nc(C(=O)NC3CC(C(=O)N(C)C)CCC3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.Cc1ccc(S(=O)(=O)O)cc1.O,1.012635,Inactive,31943209,CN1CCc2nc(C(=O)NC3CC(C(=O)N(C)C)CCC3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.Cc1ccc(S(=O)(=O)O)cc1.O,PSMMNJNZVZZNOI-UHFFFAOYSA-N,"n'-(5-chloropyridin-2-yl)-n-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4h-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide;4-methylbenzenesulfonic acid;hydrate",87252201.0,737.2068309200001,1.7066200000000027,222.5
+BRINZOLAMIDE,CCNC1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,1.002335,Inactive,31967549,CCNC1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,HCRKCZRJWPKOAR-UHFFFAOYSA-N,"4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide",3504707.0,383.064333772,0.0869000000000016,118.79999999999998
+HYDROCHLOROTHIAZIDE,NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,1.03199,Inactive,32075169,NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,JZUFKLXOESDKRF-UHFFFAOYSA-N,hydrochlorothiazide,3639.0,296.9644754159999,-0.3512999999999996,118.36
+RANITIDINE HYDROCHLORIDE,CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl,1.0922,Inactive,32092037,CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl,GGWBHVILAJZWKJ-UHFFFAOYSA-N,label,47909.0,350.117939276,1.8808,83.58
+HYDROXYZINE HYDROCHLORIDE,Cl.Cl.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,1.001455,Inactive,32157091,Cl.Cl.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,ANOMHKZSQFYSBR-UHFFFAOYSA-N,hydroxyzine dihydrochloride,91513.0,446.129461208,3.8995000000000033,35.940000000000005
+CITICOLINE,C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O,0.96681,Inactive,32197580,C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O,RZZPDXZPRHQOCG-UHFFFAOYSA-N,"[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[2-(trimethylazaniumyl)ethoxy]phosphoryl] phosphate",3901273.0,488.107330912,-2.230499999999996,215.72
+AVOCATIN B,C#CCCCCCCCCCCCC(O)CC(O)CO.C=CCCCCCCCCCCCC(O)CC(O)CO,0.97879,Inactive,32293718,C#CCCCCCCCCCCCC(O)CC(O)CO.C=CCCCCCCCCCCCC(O)CC(O)CO,MKQLKSXQNMNNHU-UHFFFAOYSA-N,avocatin b,6710748.0,570.4859398319999,6.582600000000009,121.38
+CANDESARTAN CILEXTIL,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,0.795055,Inactive,32439929,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,GHOSNRCGJFBJIB-UHFFFAOYSA-N,candesartan cilexetil,2540.0,610.253982808,6.319100000000007,143.34
+DANTROLENE SODIUM,O=C1CN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+],1.05815,Inactive,32663544,O=C1CN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+],KSRLIXGNPXAZHD-UHFFFAOYSA-M,dantrolene na,32731.0,336.047063668,-0.4714000000000002,120.12
+"QUERCETIN 5,7,3',4'-TETRAMETHYL ETHER",COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1,0.93158,Inactive,32753893,COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1,AAASNKNLMQBKFV-UHFFFAOYSA-N,"3-hydroxy-3',4',5,7-tetramethoxyflavone",97142.0,358.105252916,3.200000000000001,87.36000000000001
+COLISTIN SULFATE,CCC(C)C1NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)CCCCC(C)C)C(C)O)CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(C(C)CC)NC1=O.O=S(=O)(O)O.O=S(=O)(O)O,0.0475045,Active,32780990,CCC(C)C1NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)CCCCC(C)C)C(C)O)CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(C(C)CC)NC1=O.O=S(=O)(O)O.O=S(=O)(O)O,GQOWKFKFLXZQFI-UHFFFAOYSA-N,"n-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-12,15-di(butan-2-yl)-3-(1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide;sulfuric acid",45114149.0,1350.684686283999,-7.137099999999984,639.86
+GOSSYPETIN,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12,1.10915,Inactive,33005163,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12,YRRAGUMVDQQZIY-UHFFFAOYSA-N,gossypetin,5280647.0,318.03756728,1.6936000000000002,151.59
+NIMODIPINE,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,1.050005,Inactive,33324661,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,UIAGMCDKSXEBJQ-UHFFFAOYSA-N,nimodipine,4497.0,418.174001172,2.970800000000001,117.0
+VISNAGIN,COc1c2ccoc2cc2oc(C)cc(=O)c12,1.02075,Inactive,33743695,COc1c2ccoc2cc2oc(C)cc(=O)c12,NZVQLVGOZRELTG-UHFFFAOYSA-N,visnagin,6716.0,230.0579088,2.8562200000000013,52.580000000000005
+ANABASINE HYDROCHLORIDE,Cl.c1cncc(C2CCCCN2)c1,0.998065,Inactive,33787034,Cl.c1cncc(C2CCCCN2)c1,VTMZQNZVYCJLGG-UHFFFAOYSA-N,3-(piperidin-2-yl)pyridine hydrochloride,167266.0,198.09237616,2.318,24.92
+ISOBERGAPTEN,COc1cc2occc2c2oc(=O)ccc12,0.88559,Inactive,33896906,COc1cc2occc2c2oc(=O)ccc12,AJSPSRWWZBBIOR-UHFFFAOYSA-N,isobergapten,68082.0,216.042258736,2.5478000000000005,52.580000000000005
+ANTAZOLINE,c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,1.03813,Inactive,33944437,c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,REYFJDPCWQRWAA-UHFFFAOYSA-N,antazoline,2200.0,265.157897608,2.6949000000000014,27.63
+METACETAMOL,CC(=O)Nc1cccc(O)c1,1.0818,Inactive,34096931,CC(=O)Nc1cccc(O)c1,QLNWXBAGRTUKKI-UHFFFAOYSA-N,metacetamol,12124.0,151.063328528,1.3505999999999998,49.33
+EBASTINE,CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,0.904095,Inactive,34114001,CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,MJJALKDDGIKVBE-UHFFFAOYSA-N,ebastine,3191.0,469.298079488,7.217600000000008,29.540000000000003
+BETAMIPRON,O=C(O)CCNC(=O)c1ccccc1,1.03,Inactive,34183380,O=C(O)CCNC(=O)c1ccccc1,CWXYHOHYCJXYFQ-UHFFFAOYSA-N,betamipron,71651.0,193.073893212,0.8911,66.4
+ORNIDAZOLE,Cc1ncc([N+](=O)[O-])n1CC(O)CCl,1.10375,Inactive,34210217,Cc1ncc([N+](=O)[O-])n1CC(O)CCl,IPWKIXLWTCNBKN-UHFFFAOYSA-N,ornidazole,28061.0,219.04106886,0.6994199999999999,81.19
+CHOLESTEROL,CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,1.0164,Inactive,34284648,CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,HVYWMOMLDIMFJA-UHFFFAOYSA-N,cholest-5-en-3-ol,304.0,386.354866092,7.388700000000009,20.23
+CLOPERASTINE HYDROCHLORIDE,Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1,0.933365,Inactive,34426411,Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1,UNPLRYRWJLTVAE-UHFFFAOYSA-N,cloperastine hydrochloride,161104.0,365.13131978,5.353700000000005,12.47
+IDOXURIDINE,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I,1.0588,Inactive,34481213,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I,XQFRJNBWHJMXHO-UHFFFAOYSA-N,"uridine, 2'-deoxy-5-iodo-",3687.0,353.97126945200006,-1.2181000000000002,104.55
+2-ACETYLPYRROLE,CC(=O)c1ccc[nH]1,1.12705,Inactive,34558021,CC(=O)c1ccc[nH]1,IGJQUJNPMOYEJY-UHFFFAOYSA-N,2-acetylpyrrole,14079.0,109.052763844,1.2173,32.86
+BRIVUDINE,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C=CBr,0.91915,Inactive,34706605,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C=CBr,ODZBBRURCPAEIQ-UHFFFAOYSA-N,"5-(2-bromoethenyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",3183.0,332.00078361600004,-0.4571,104.55
+KAEMPFEROL,O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,1.02912,Inactive,34735380,O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,IYRMWMYZSQPJKC-UHFFFAOYSA-N,kaempferol,5280863.0,286.04773804,2.2824000000000004,111.13
+PRENYLETIN,CC(C)=CCOc1cc2oc(=O)ccc2cc1O,1.05385,Inactive,34754646,CC(C)=CCOc1cc2oc(=O)ccc2cc1O,AWEFUQDNSBBNCR-UHFFFAOYSA-N,prenyletin,3873459.0,246.089208928,2.8436000000000017,59.67
+DIRITHROMYCIN,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C2NC(COCCOC)OC(C2C)C1(C)O,0.433495,Inactive,34856987,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C2NC(COCCOC)OC(C2C)C1(C)O,WLOHNSSYAXHWNR-UHFFFAOYSA-N,"9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2,10-dihydroxy-7-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-15-(2-methoxyethoxymethyl)-2,6,8,10,12,17-hexamethyl-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one",4580358.0,834.545305176,2.201700000000009,196.33
+AMPHOTERICIN B,CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O,1.020935,Inactive,35327280,CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O,APKFDSVGJQXUKY-UHFFFAOYSA-N,ambisome,1972.0,923.4878498760002,0.7117000000000053,319.61
+EDETATE DISODIUM,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na+].[Na+],1.001195,Inactive,35345593,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na+].[Na+],ZGTMUACCHSMWAC-UHFFFAOYSA-N,disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid,9902403.0,338.06910687218,-8.063200000000007,155.68
+ISOPIMPINELLIN,COc1c2ccoc2c(OC)c2oc(=O)ccc12,0.804465,Inactive,35352352,COc1c2ccoc2c(OC)c2oc(=O)ccc12,DFMAXQKDIGCMTL-UHFFFAOYSA-N,isopimpinellin,68079.0,246.05282342,2.556400000000001,61.81
+DIPYROCETYL,CC(=O)Oc1cccc(C(=O)O)c1OC(C)=O,1.0846,Inactive,35385801,CC(=O)Oc1cccc(C(=O)O)c1OC(C)=O,NYIZXMGNIUSNKL-UHFFFAOYSA-N,dipyrocetyl,68093.0,238.04773804,1.2354,89.9
+ISOPROTERENOL HYDROCHLORIDE,CC(C)NCC(O)c1ccc(O)c(O)c1.Cl,0.89544,Inactive,35506847,CC(C)NCC(O)c1ccc(O)c(O)c1.Cl,IROWCYIEJAOFOW-UHFFFAOYSA-N,isoproterenol hydrochloride,5807.0,247.097521116,1.5510000000000004,72.72
+AMANTADINE HYDROCHLORIDE,Cl.NC12CC3CC(CC(C3)C1)C2,1.11775,Inactive,35790632,Cl.NC12CC3CC(CC(C3)C1)C2,WOLHOYHSEKDWQH-UHFFFAOYSA-N,amantadine hydrochloride,64150.0,187.112777256,2.3357,26.02
+DICHLOROEVERNIC ACID,COc1c(Cl)c(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1Cl,1.108,Inactive,35861011,COc1c(Cl)c(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1Cl,AESGLXVLIHUKMR-UHFFFAOYSA-N,dichloroevernic acid,73440796.0,400.0116581479999,3.9474400000000034,113.29
+ALBUTEROL,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,0.903255,Inactive,35916771,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,NDAUXUAQIAJITI-UHFFFAOYSA-N,albuterol,2083.0,239.152143532,1.3059999999999998,72.72
+TESTOSTERONE,CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12,1.01455,Inactive,35998097,CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12,MUMGGOZAMZWBJJ-UHFFFAOYSA-N,17-hydroxyandrost-4-en-3-one,5408.0,288.208930136,3.879200000000002,37.3
+SALICYLANILIDE,O=C(Nc1ccccc1)c1ccccc1O,0.5337,Inactive,36222229,O=C(Nc1ccccc1)c1ccccc1O,WKEDVNSFRWHDNR-UHFFFAOYSA-N,salicylanilide,6872.0,213.078978592,2.644500000000001,49.33
+CLIDINIUM BROMIDE,C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-],0.967725,Inactive,36247901,C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-],GKEGFOKQMZHVOW-UHFFFAOYSA-M,clidinium bromide,19004.0,431.109605792,-0.291499999999999,46.53
+AZILSARTAN MEDOXOMIL,CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc([O-])n2)cc1.[K+],1.16725,Inactive,36428158,CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc([O-])n2)cc1.[K+],IHWFKDWIUSZLCJ-UHFFFAOYSA-M,azilsartan kamedoxomil,23699544.0,606.1152953760001,1.4895199999999995,158.68
+"CANRENOIC ACID, POTASSIUM SALT",CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC2(O)CCC(=O)[O-].[K+],0.952495,Inactive,36658236,CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC2(O)CCC(=O)[O-].[K+],JTZQCHFUGHIPDF-UHFFFAOYSA-M,canrenoate potassium,23671690.0,396.170291088,-0.4404999999999976,77.42999999999999
+"7-OXOCALLITRISIC ACID, METHYL ESTER",COC(=O)C1(C)CCCC2(C)c3ccc(C(C)C)cc3C(=O)CC12,1.12045,Inactive,36843435,COC(=O)C1(C)CCCC2(C)c3ccc(C(C)C)cc3C(=O)CC12,URPBIQPJABGDJD-UHFFFAOYSA-N,"7-oxodehydroabietic acid, methyl ester",620189.0,328.203844756,4.633500000000004,43.370000000000005
+ACETARSOL,CC(=O)Nc1cc([As](=O)(O)O)ccc1O,1.002745,Inactive,36938270,CC(=O)Nc1cc([As](=O)(O)O)ccc1O,ODFJOVXVLFUVNQ-UHFFFAOYSA-N,acetarsol,1985.0,274.97749392000003,-1.0884000000000005,106.86
+NABUMETONE,COc1ccc2cc(CCC(C)=O)ccc2c1,1.18105,Inactive,37043151,COc1ccc2cc(CCC(C)=O)ccc2c1,BLXXJMDCKKHMKV-UHFFFAOYSA-N,nabumetone,4409.0,228.115029752,3.370000000000002,26.3
+BEPHENIUM HYDROXYNAPTHOATE,C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1cc2ccccc2cc1O,0.92967,Inactive,37137434,C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1cc2ccccc2cc1O,PMPQCPQAHTXCDK-UHFFFAOYSA-M,bephenium hydroxynaphthoate,54678490.0,443.209658408,4.250900000000005,69.59
+beta-CAROTENE [2mM],CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,0.98552,Inactive,37144671,CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,OENHQHLEOONYIE-UHFFFAOYSA-N,b-carotene,573.0,536.438201792,12.605799999999975,0.0
+METYRAPONE,CC(C)(C(=O)c1cccnc1)c1cccnc1,1.06465,Inactive,37511532,CC(C)(C(=O)c1cccnc1)c1cccnc1,FJLBFSROUSIWMA-UHFFFAOYSA-N,metyrapone,4174.0,226.110613068,2.637100000000001,42.85
+RIBOFLAVIN 5-PHOSPHATE SODIUM,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)([O-])O)c2cc1C.[Na+],0.98103,Inactive,37555150,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)([O-])O)c2cc1C.[Na+],OHSHFZJLPYLRIP-UHFFFAOYSA-M,"sodium;[5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate",23666408.0,478.0865591299999,-5.234559999999995,210.92
+NITROFURAZONE,NC(=O)NN=Cc1ccc([N+](=O)[O-])o1,0.0474375,Active,37720163,NC(=O)NN=Cc1ccc([N+](=O)[O-])o1,IAIWVQXQOWNYOU-UHFFFAOYSA-N,nitrofural;nfz,1839.0,198.038904672,0.19,123.76
+GENTIAN VIOLET,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-],1.03022,Inactive,37748663,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-],ZXJXZNDDNMQXFV-UHFFFAOYSA-M,gentian violet,11057.0,407.21282564,1.4636000000000002,9.49
+SKYRIN,Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=O,1.034845,Inactive,37894804,Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=O,MQSXZQXHIJMNAF-UHFFFAOYSA-N,skyrin,73071.0,538.0899967759999,3.754840000000003,189.66
+PAZUFLOXACIN MESYLATE,CC1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.CS(=O)(=O)O,0.04758,Active,38068870,CC1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.CS(=O)(=O)O,UDHGFPATQWQARM-UHFFFAOYSA-N,"7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, methanesulfonate (1:1)",44181914.0,414.0897001679999,1.2440000000000004,148.92
+FAMPRIDINE,Nc1ccncc1,1.13275,Inactive,38249140,Nc1ccncc1,NUKYPUAOHBNCPY-UHFFFAOYSA-N,dalfampridine,1727.0,94.053098192,0.6638000000000001,38.91
+ABAMECTIN (avermectin B1a shown),CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2,0.7697,Inactive,38292925,CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2,RRZXIRBKKLTSOM-UHFFFAOYSA-N,abamectin metabolite,2262.0,872.4922069840001,5.377400000000007,170.06
+CYSTINE,NC(CSSCC(N)C(=O)O)C(=O)O,1.01535,Inactive,38332851,NC(CSSCC(N)C(=O)O)C(=O)O,LEVWYRKDKASIDU-UHFFFAOYSA-N,dl-cystine,595.0,240.023848864,-0.8083999999999993,126.64
+ROSUVASTATIN CALCIUM,CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=CC(O)CC(O)CC(=O)[O-].[Ca+2],0.98546,Inactive,38354460,CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=CC(O)CC(O)CC(=O)[O-].[Ca+2],XDIJJHVJIZNZGO-UHFFFAOYSA-M,cid 75094276,75094276.0,520.1225022040899,0.6861999999999999,143.75
+TRIACETYLRESVERATROL,CC(=O)Oc1ccc(C=Cc2cc(OC(C)=O)cc(OC(C)=O)c2)cc1,0.83225,Inactive,38428954,CC(=O)Oc1ccc(C=Cc2cc(OC(C)=O)cc(OC(C)=O)c2)cc1,PDAYUJSOJIMKIS-UHFFFAOYSA-N,resveratrol triacetate,3935161.0,354.11033829599995,3.632900000000002,78.9
+ACETOHEXAMIDE,CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,1.0263,Inactive,38553466,CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,VGZSUPCWNCWDAN-UHFFFAOYSA-N,acetohexamide,1989.0,324.11437812,2.2098000000000004,92.34
+CAFFEINE HYDROBROMIDE,Br.Cn1c(=O)c2c(ncn2C)n(C)c1=O,1.0344,Inactive,38616751,Br.Cn1c(=O)c2c(ncn2C)n(C)c1=O,XXSSHQCOBPQFOL-UHFFFAOYSA-N,caffeine bromide,21966.0,274.006537692,-0.4514,61.82
+N-METHYLANTHRANILIC ACID,CNc1ccccc1C(=O)O,0.802425,Inactive,38629194,CNc1ccccc1C(=O)O,WVMBPWMAQDVZCM-UHFFFAOYSA-N,n-methylanthranilic acid,67069.0,151.063328528,1.4265,49.33
+DEQUALINIUM CHLORIDE,Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-],0.627015,Inactive,38958089,Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-],LTNZEXKYNRNOGT-UHFFFAOYSA-N,dequalinium chloride,10649.0,526.2630026400001,0.1782400000000044,59.8
+SYNEPHRINE TARTRATE,CNCC(O)c1ccc(O)cc1.CNCC(O)c1ccc(O)cc1.O=C(O)C(O)C(O)C(=O)O,1.06485,Inactive,39157383,CNCC(O)c1ccc(O)cc1.CNCC(O)c1ccc(O)cc1.O=C(O)C(O)C(O)C(=O)O,KZZBAIXGUQOHKI-UHFFFAOYSA-N,cid 44135848,44135848.0,484.20569522399984,-0.8325999999999993,220.04
+NIFURSOL,O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,1.11655,Inactive,39166444,O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,XXUXXCZCUGIGPP-UHFFFAOYSA-N,salfuride,28140.0,365.024376804,1.4736999999999998,204.25
+OXETHAZAINE,CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1,0.877655,Inactive,39253644,CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1,FTLDJPRFCGDUFH-UHFFFAOYSA-N,oxethazaine,4621.0,467.314792172,3.2401000000000018,64.09
+ARACHIDONIC ACID,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,0.965685,Inactive,39622244,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,YZXBAPSDXZZRGB-UHFFFAOYSA-N,"5,8,11,14-eicosatetraenoic acid, (5z,8z,11z,14z)-",231.0,304.240230264,6.216700000000006,37.3
+GLAUCONIC ACID ACETATE,CCC1C=C2C(=O)OC(=O)C2CC2=C(C(=O)OC2=O)C(OC(C)=O)C1CC,1.0621,Inactive,39669065,CCC1C=C2C(=O)OC(=O)C2CC2=C(C(=O)OC2=O)C(OC(C)=O)C1CC,QBZIDKLEMRLMKS-UHFFFAOYSA-N,,,376.1158176,1.3801999999999994,113.04000000000002
+THIOTEPA,S=P(N1CC1)(N1CC1)N1CC1,0.95132,Inactive,39808553,S=P(N1CC1)(N1CC1)N1CC1,FOCVUCIESVLUNU-UHFFFAOYSA-N,thiotepa,5453.0,189.048955014,0.1577000000000001,9.03
+PHENAZOPYRIDINE HYDROCHLORIDE,Cl.Nc1ccc(N=Nc2ccccc2)c(N)n1,1.00749,Inactive,39845412,Cl.Nc1ccc(N=Nc2ccccc2)c(N)n1,QQBPIHBUCMDKFG-UHFFFAOYSA-N,phenazopyridine hydrochloride,8691.0,249.078123064,3.083200000000001,89.64999999999999
+TELITHROMYCIN,CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)OC12C,0.0498545,Active,39907434,CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)OC12C,LJVAJPDWBABPEJ-UHFFFAOYSA-N,"8-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone",21881641.0,811.4731432799999,4.929200000000005,171.85
+OXACILLIN SODIUM,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[Na+],1.09965,Inactive,39930625,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[Na+],VDUVBBMAXXHEQP-UHFFFAOYSA-M,"sodium;(2s,5r,6r)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",3664549.0,423.086485956,-2.4353799999999968,115.57
+FEXOFENADINE HYDROCHLORIDE,CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl,1.1996,Inactive,40129621,CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl,RRJFVPUCXDGFJB-UHFFFAOYSA-N,fexofenadine hydrochloride,63002.0,537.26458644,5.932300000000009,81.0
+LEVODOPA,NC(Cc1ccc(O)c(O)c1)C(=O)O,1.0284,Inactive,40241058,NC(Cc1ccc(O)c(O)c1)C(=O)O,WTDRDQBEARUVNC-UHFFFAOYSA-N,dl-dihydroxyphenylalanine,836.0,197.068807832,0.0522000000000001,103.78000000000002
+LEOIDIN DIMETHYL ETHER,COC(=O)c1c(C)c2c(c(C)c1OC)OC(=O)c1c(C)c(Cl)c(OC)c(Cl)c1O2,1.17425,Inactive,40242722,COC(=O)c1c(C)c2c(c(C)c1OC)OC(=O)c1c(C)c(Cl)c(OC)c(Cl)c1O2,PDTLWAZKMKQSLD-UHFFFAOYSA-N,"8,10-dichloro-3,9-dimethoxy-1,4,7-trimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester",3310692.0,440.042958276,5.047360000000004,80.29
+HYDROXYZINE PAMOATE,O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,1.16565,Inactive,40395234,O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,ASDOKGIIKXGMNB-UHFFFAOYSA-N,hydroxyzine pamoate,25096.0,762.270794016,7.447300000000008,151.0
+PIPERACILLIN SODIUM,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)[O-])c2ccccc2)C(=O)C1=O.[Na+],0.046508,Active,40403588,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)[O-])c2ccccc2)C(=O)C1=O.[Na+],WCMIIGXFCMNQDS-UHFFFAOYSA-M,"sodium (2r,5s,6s)-6-[[(2r)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",23702394.0,539.1450634519999,-4.570999999999993,159.26
+ASPARAGINE (L) HYDRATE,NC(=O)CC(N)C(=O)O.O,0.956405,Inactive,40474416,NC(=O)CC(N)C(=O)O.O,RBMGJIZCEWRQES-UHFFFAOYSA-N,dl-asparagine monohydrate,522362.0,150.0640568,-2.551,137.91000000000005
+EUGENOL,C=CCc1ccc(O)c(OC)c1,1.1026,Inactive,40638586,C=CCc1ccc(O)c(OC)c1,RRAFCDWBNXTKKO-UHFFFAOYSA-N,eugenol,3314.0,164.083729624,2.1293,29.46
+FENOFIBRATE,CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,0.998585,Inactive,40671796,CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,YMTINGFKWWXKFG-UHFFFAOYSA-N,fenofibrate,3339.0,360.112836832,4.680000000000004,52.6
+SALICYLIC ACID,O=C(O)c1ccccc1O,0.999285,Inactive,40781030,O=C(O)c1ccccc1O,YGSDEFSMJLZEOE-UHFFFAOYSA-N,salicylic acid,338.0,138.031694052,1.0903999999999998,57.53
+DIMERCAPROL,OCC(S)CS,1.08205,Inactive,40790111,OCC(S)CS,WQABCVAJNWAXTE-UHFFFAOYSA-N,dimercaprol,3080.0,124.001656876,0.2069,20.23
+HALOTHANE,FC(F)(F)C(Cl)Br,0.97782,Inactive,40911653,FC(F)(F)C(Cl)Br,BCQZXOMGPXTTIC-UHFFFAOYSA-N,halothane,3562.0,195.890224472,2.5085,0.0
+DEHYDROVARIABILIN,COc1ccc2c(c1)OCc1c-2oc2cc(OC)ccc12,0.930105,Inactive,41189161,COc1ccc2c(c1)OCc1c-2oc2cc(OC)ccc12,FLEXCYTURSFUNC-UHFFFAOYSA-N,anhydrovariabilin,624785.0,282.089208928,4.009400000000002,40.83
+VALGANCICLOVIR HYDROCHLORIDE,CC(C)C(N)C(=O)OCC(CO)OCn1cnc2c(=O)[nH]c(N)nc21.Cl,1.13125,Inactive,41229589,CC(C)C(N)C(=O)OCC(CO)OCn1cnc2c(=O)[nH]c(N)nc21.Cl,ZORWARFPXPVJLW-UHFFFAOYSA-N,[2-[(2-amino-6-oxo-1h-purin-9-yl)methoxy]-3-hydroxypropyl] 2-amino-3-methylbutanoate;hydron;chloride,135990057.0,390.1418455160001,-1.014899999999999,171.37
+MEPENZOLATE BROMIDE,C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-],0.98533,Inactive,41233420,C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-],JRRNZNSGDSFFIR-UHFFFAOYSA-M,mepenzolate bromide,6461.0,419.109605792,-0.291499999999999,46.53
+STRYCHNINE SULFATE,O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46.O=S(=O)(O)O,1.0228,Inactive,41306304,O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46.O=S(=O)(O)O,SQZRGLKZOYHTRV-UHFFFAOYSA-N,,,432.1355074879999,1.4397000000000002,107.38
+TENOFOVIR,CC(Cn1cnc2c(N)ncnc21)OCP(=O)(O)O,0.983895,Inactive,41324521,CC(Cn1cnc2c(N)ncnc21)OCP(=O)(O)O,SGOIRFVFHAKUTI-UHFFFAOYSA-N,tenofovir (parent),64987.0,287.078340558,-0.0512000000000001,136.38000000000002
+IVERMECTIN,CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2,0.87384,Inactive,41346247,CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2,AZSNMRSAGSSBNP-UHFFFAOYSA-N,"6'-butan-2-yl-21,24-dihydroxy-12-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one",4330618.0,874.5078570480001,5.601400000000008,170.06
+CLONIDINE HYDROCHLORIDE,Cl.Clc1cccc(Cl)c1N=C1NCCN1,1.2064,Inactive,41402478,Cl.Clc1cccc(Cl)c1N=C1NCCN1,ZNIFSRGNXRYGHF-UHFFFAOYSA-N,clonidine hydrochloride,20179.0,264.99403036,2.5955000000000004,36.42
+TOLBUTAMIDE,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,0.963005,Inactive,41419769,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,JLRGJRBPOGGCBT-UHFFFAOYSA-N,tolbutamide,5505.0,270.103813436,1.78302,75.27000000000001
+CINTRIAMIDE,COc1cc(C=CC(N)=O)cc(OC)c1OC,1.0503,Inactive,41641249,COc1cc(C=CC(N)=O)cc(OC)c1OC,LRLKZVMLJBNNPE-UHFFFAOYSA-N,"3-(3,4,5-trimethoxyphenyl)prop-2-enamide",21783.0,237.10010796,1.2109,70.78
+BISOPROLOL FUMARATE,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C(O)C=CC(=O)O,1.04165,Inactive,41714074,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C(O)C=CC(=O)O,RZPZLFIUFMNCLY-UHFFFAOYSA-N,bisoprolol; butenedioic acid,53394791.0,441.2362670799999,2.077699999999999,134.55
+3-beta-ACETOXYALLOPREG-16-EN-20-ONE,CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)CCC32)C1,0.92667,Inactive,41992184,CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)CCC32)C1,YFMSIVMSEGIVCP-UHFFFAOYSA-N,"(17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl) acetate",296383.0,358.250794948,5.086100000000005,43.370000000000005
+SENNOSIDE A,O=C(O)c1cc(O)c2c(c1)C(C1c3cc(C(=O)O)cc(O)c3C(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cccc31)c1cccc(OC3OC(CO)C(O)C(O)C3O)c1C2=O,1.011915,Inactive,42223229,O=C(O)c1cc(O)c2c(c1)C(C1c3cc(C(=O)O)cc(O)c3C(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cccc31)c1cccc(OC3OC(CO)C(O)C(O)C3O)c1C2=O,IPQVTOJGNYVQEO-UHFFFAOYSA-N,sennoside,5199.0,862.1956436160001,-1.0956000000000004,347.96
+PROMETHAZINE HYDROCHLORIDE,CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl,0.83703,Inactive,42247465,CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl,XXPDBLUZJRXNNZ-UHFFFAOYSA-N,promethazine hydrochloride,6014.0,320.111397352,4.6612000000000045,6.48
+MOXISYLYTE HYDROCHLORIDE,CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C.Cl,0.95057,Inactive,42268554,CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C.Cl,IPWGSXZCDPTDEH-UHFFFAOYSA-N,arlitene,13758.0,315.160121372,3.4059200000000023,38.77
+KETOROLAC TROMETHAMINE,NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O,0.914475,Inactive,42352587,NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O,BWHLPLXXIDYSNW-UHFFFAOYSA-N,ketorolac tromethamine,84003.0,376.163436488,-0.0482,146.01
+METHACHOLINE CHLORIDE,CC(=O)OC(C)C[N+](C)(C)C.[Cl-],0.979515,Inactive,42357486,CC(=O)OC(C)C[N+](C)(C)C.[Cl-],JHPHVAVFUYTVCL-UHFFFAOYSA-M,methacholine chloride,6114.0,195.102606496,-2.3517999999999963,26.3
+DORAMECTIN,COC1CC(OC2C(C)OC(OC3C(C)=CCC4CC(CC5(C=CC(C)C(C6CCCCC6)O5)O4)OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC3C)C45O)CC2OC)OC(C)C1O,0.90645,Inactive,42456340,COC1CC(OC2C(C)OC(OC3C(C)=CCC4CC(CC5(C=CC(C)C(C6CCCCC6)O5)O4)OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC3C)C45O)CC2OC)OC(C)C1O,QLFZZSKTJWDQOS-UHFFFAOYSA-N,"2-cyclohexyl-21',24'-dihydroxy-12'-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one",53398645.0,898.5078570480001,5.911600000000009,170.05999999999997
+THEAFLAVIN,O=c1c(O)cc(C2Oc3cc(O)cc(O)c3CC2O)cc2c(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(O)c12,1.03477,Inactive,42522838,O=c1c(O)cc(C2Oc3cc(O)cc(O)c3CC2O)cc2c(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(O)c12,IPMYMEWFZKHGAX-UHFFFAOYSA-N,theaflavine;(-)-theaflavin,4263901.0,564.1267762079999,2.2134,217.6
+3-HYDROXYFLAVONE,O=c1c(O)c(-c2ccccc2)oc2ccccc12,1.0425,Inactive,42666241,O=c1c(O)c(-c2ccccc2)oc2ccccc12,HVQAJTFOCKOKIN-UHFFFAOYSA-N,3-hydroxyflavone,11349.0,238.06299418,3.1656000000000013,50.44
+PODOTOTARIN,CC(C)c1c(O)c(-c2cc3c(c(C(C)C)c2O)CCC2C(C)(C)CCCC32C)cc2c1CCC1C(C)(C)CCCC21C,1.05895,Inactive,42720585,CC(C)c1c(O)c(-c2cc3c(c(C(C)C)c2O)CCC2C(C)(C)CCCC32C)cc2c1CCC1C(C)(C)CCCC21C,RFUVOURUUJLQSB-UHFFFAOYSA-N,"3-(2-hydroxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol",4361205.0,570.443681096,11.07199999999999,40.46
+GLYCOPYRROLATE,C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-],0.93258,Inactive,42811515,C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-],VPNYRYCIDCJBOM-UHFFFAOYSA-M,glycopyrrolate,11693.0,397.125255856,-0.5396999999999981,46.53
+4'-METHOXYCHALCONE,COc1ccc(C(=O)C=Cc2ccccc2)cc1,0.99071,Inactive,43007076,COc1ccc(C(=O)C=Cc2ccccc2)cc1,KJHHAPASNNVTSN-UHFFFAOYSA-N,p-methoxybenzylideneacetophenone,92853.0,238.099379688,3.591300000000002,26.3
+CHLORPROPAMIDE,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,1.010525,Inactive,43029004,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,RKWGIWYCVPQPMF-UHFFFAOYSA-N,chlorpropamide,2727.0,276.033540956,1.7379,75.27000000000001
+BENZYDAMINE HYDROCHLORIDE,CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl,0.98372,Inactive,43223081,CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl,HNNIWKQLJSNAEQ-UHFFFAOYSA-N,benzydamine hydrochloride,65464.0,345.160790068,3.836900000000003,30.29
+ESTRADIOL VALERATE,CCCCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C,0.872515,Inactive,43283249,CCCCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C,RSEPBGGWRJCQGY-UHFFFAOYSA-N,"3-hydroxyestra-1,3,5(10)-trien-17-yl pentanoate",3267.0,356.235144884,5.350300000000006,46.53
+ZOLEDRONIC ACID,O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O,1.0727,Inactive,43372623,O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O,XRASPMIURGNCCH-UHFFFAOYSA-N,zoledronate,68740.0,271.99632392,-1.1154000000000002,153.11
+"DIHYDROJASMONIC ACID, METHYL ESTER",CCCCCC1C(=O)CCC1CC(=O)OC,1.186,Inactive,43407199,CCCCCC1C(=O)CCC1CC(=O)OC,KVWWIYGFBYDJQC-UHFFFAOYSA-N,methyl dihydrojasmonate,102861.0,226.156894564,2.725100000000001,43.370000000000005
+SODIUM TETRADECYL SULFATE,CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+],0.745775,Inactive,43448275,CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+],FVEFRICMTUKAML-UHFFFAOYSA-M,sotradecol,23665772.0,316.168424688,0.8785000000000007,66.43
+ABACAVIR SULFATE,Nc1nc(NC2CC2)c2ncn(C3C=CC(CO)C3)c2n1.O=S(=O)(O)O,1.1941,Inactive,43709551,Nc1nc(NC2CC2)c2ncn(C3C=CC(CO)C3)c2n1.O=S(=O)(O)O,MBFKCGGQTYQTLR-UHFFFAOYSA-N,[4-[2-amino-6-(cyclopropylamino)-9-purinyl]-1-cyclopent-2-enyl]methanol; sulfuric acid,21917711.0,384.12158874,0.4395000000000001,176.47999999999996
+AMINOTHIAZOLE,Nc1nccs1,1.1178,Inactive,43711494,Nc1nccs1,RAIPHJJURHTUIC-UHFFFAOYSA-N,aminothiazole,2155.0,100.009519128,0.7253000000000001,38.91
+BEXAROTENE,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C,1.04135,Inactive,43735557,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C,QADGBOQVBUXZKO-UHFFFAOYSA-N,"4-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acid",9810431.0,350.188194692,5.273220000000005,54.370000000000005
+BORNEOL,CC1(C)C2CCC1(C)C(O)C2,0.908065,Inactive,43774312,CC1(C)C2CCC1(C)C(O)C2,DTGKSKDOIYIVQL-UHFFFAOYSA-N,"1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol",64685.0,154.135765196,2.1935,20.23
+7-DEACETYLKHIVORIN,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C,0.98101,Inactive,43828592,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C,MRMHZWKIOFZZID-UHFFFAOYSA-N,"[13-acetyloxy-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-15-yl] acetate",3936276.0,544.2672328599999,4.118100000000004,124.8
+MEPIROXOL,[O-][n+]1cccc(CO)c1,1.010235,Inactive,43939942,[O-][n+]1cccc(CO)c1,LQYJAVWWKTWWKN-UHFFFAOYSA-N,mepiroxol,71668.0,125.047678464,-0.1876999999999998,47.17
+OUABAIN OCTAHYDRATE,CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O.O.O.O.O.O.O.O.O,1.01494,Inactive,44141002,CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O.O.O.O.O.O.O.O.O,TYBARJRCFHUHSN-UHFFFAOYSA-N,"3-[1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2h-furan-5-one;octahydrate",22495228.0,728.3677943200001,-8.112599999999986,458.6
+CEFADROXIL,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1,0.98552,Inactive,44144396,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1,BOEGTKLJZSQCCD-UHFFFAOYSA-N,7-((2-amino-2-(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid,2610.0,363.088891644,0.150500000000001,132.96
+LITHOCHOLIC ACID,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,0.822145,Inactive,44152324,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,SMEROWZSTRWXGI-UHFFFAOYSA-N,3-hydroxycholan-24-oic acid,500165.0,376.29774514,5.507100000000006,57.53
+OXFENDAZOLE,COC(=O)Nc1nc2ccc(S(=O)c3ccccc3)cc2[nH]1,0.86832,Inactive,44260845,COC(=O)Nc1nc2ccc(S(=O)c3ccccc3)cc2[nH]1,BEZZFPOZAYTVHN-UHFFFAOYSA-N,oxfendazole,40854.0,315.06776227600005,2.9079000000000006,84.07999999999998
+BUSPIRONE HYDROCHLORIDE,Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,0.0493065,Active,44266203,Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,RICLFGYGYQXUFH-UHFFFAOYSA-N,buspirone hydrochloride,36431.0,421.22445294400006,2.5100000000000007,69.64000000000001
+CARNITINE (dl) HYDROCHLORIDE,C[N+](C)(C)CC(O)CC(=O)O.[Cl-],1.1269,Inactive,44267275,C[N+](C)(C)CC(O)CC(=O)O.[Cl-],JXXCENBLGFBQJM-UHFFFAOYSA-N,carnitine chloride,5970.0,197.081871052,-3.467799999999997,57.53
+DIFFRACTAIC ACID,COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(OC)c1C,1.057,Inactive,44284876,COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(OC)c1C,MIJKZXWOOXIEEU-UHFFFAOYSA-N,diffractaic acid,94870.0,374.136553044,3.560480000000002,102.29
+TUAMINOHEPTANE SULFATE,CCCCCC(C)N.O=S(=O)(O)O,1.024765,Inactive,44388012,CCCCCC(C)N.O=S(=O)(O)O,ASNSHZBVZYSNTB-UHFFFAOYSA-N,(1-methylhexyl)ammonium sulphate,107130.0,213.103479088,1.2611000000000006,100.62
+MYCOPHENOLIC ACID,COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)OC2,1.11925,Inactive,44649404,COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)OC2,HPNSFSBZBAHARI-UHFFFAOYSA-N,(z)-mycophenolic acid,4272.0,320.12598835999995,2.73322,93.06000000000002
+XANTHONE,O=c1c2ccccc2oc2ccccc12,1.03138,Inactive,44741891,O=c1c2ccccc2oc2ccccc12,JNELGWHKGNBSMD-UHFFFAOYSA-N,xanthone,7020.0,196.052429496,2.946200000000001,30.21
+SAPPANONE A DIMETHYL ETHER,COc1ccc2c(c1)OCC(=Cc1ccc(OC)c(O)c1)C2=O,1.04915,Inactive,44789793,COc1ccc2c(c1)OCC(=Cc1ccc(OC)c(O)c1)C2=O,VCNDHJFYRZQMHX-UHFFFAOYSA-N,3-[(3-hydroxy-4-methoxyphenyl)methylidene]-7-methoxychromen-4-one,3884104.0,312.099773612,3.068100000000001,64.99000000000001
+SPIRONOLACTONE,CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12,1.1142,Inactive,44849141,CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12,LXMSZDCAJNLERA-UHFFFAOYSA-N,duraspiron,5267.0,416.2021305039999,4.852300000000005,60.44
+USNIC ACID,CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)C12C,1.09915,Inactive,44861008,CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)C12C,CUCUKLJLRRAKFN-UHFFFAOYSA-N,usnic acid,5646.0,344.089602852,1.49982,117.97
+NICARDIPINE HYDROCHLORIDE,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1.Cl,1.03925,Inactive,44939143,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1.Cl,AIKVCUNQWYTVTO-UHFFFAOYSA-N,nicardipine hydrochloride,41114.0,515.18231336,4.099600000000004,111.01
+MEXENEONE,COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1,1.012485,Inactive,44941632,COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1,MJVGBKJNTFCUJM-UHFFFAOYSA-N,mexenone,71645.0,242.094294308,2.940220000000001,46.53
+TINIDAZOLE,CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C,1.13155,Inactive,45078859,CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C,HJLSLZFTEKNLFI-UHFFFAOYSA-N,tinidazole,5479.0,247.062676896,0.5344200000000001,95.1
+DERRUSNIN,COc1cc(OC)c2c(OC)c(-c3ccc4c(c3)OCO4)c(=O)oc2c1,0.941255,Inactive,45086186,COc1cc(OC)c2c(OC)c(-c3ccc4c(c3)OCO4)c(=O)oc2c1,PZYZNVLXKYMURF-UHFFFAOYSA-N,derrusnin,1715307.0,356.0896028519999,3.214500000000002,76.36000000000001
+ANAGRELIDE HYDROCHLORIDE,Cl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1,0.91772,Inactive,45265514,Cl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1,TVWRQCIPWUCNMI-UHFFFAOYSA-N,anagrelide hydrochloride,135413494.0,290.97329491600004,2.3481000000000005,44.7
+PENICILLIN V POTASSIUM,CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)[O-].[K+],0.59763,Inactive,45326390,CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)[O-].[K+],HCTVWSOKIJULET-UHFFFAOYSA-M,phenoxymethylpenicillinic acid potassium salt,4769.0,388.049524324,-3.633599999999997,98.77
+GLUTAMINE (L) HYDROCHLORIDE,Cl.NC(=O)CCC(N)C(=O)O,1.025835,Inactive,45417910,Cl.NC(=O)CCC(N)C(=O)O,SNNIXEGBYLWWHH-UHFFFAOYSA-N,"2,5-diamino-5-oxopentanoic acid;hydrochloride",22255762.0,182.045819892,-0.9143999999999994,106.41
+ALPINETIN METHYL ETHER,COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O,0.8116,Inactive,45531154,COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O,IAFBOKYTDSDNHV-UHFFFAOYSA-N,"5,7-dimethoxyflavanone",378567.0,284.104858992,3.410300000000002,44.760000000000005
+TOPIRAMATE,CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1,0.850465,Inactive,45588709,CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1,KJADKKWYZYXHBB-UHFFFAOYSA-N,topiramate-13c6,5514.0,339.098787632,-0.3953999999999982,115.54
+ACETYLCHOLINE CHLORIDE,CC(=O)OCC[N+](C)(C)C.[Cl-],1.1839,Inactive,45653606,CC(=O)OCC[N+](C)(C)C.[Cl-],JUGOREOARAHOCO-UHFFFAOYSA-M,acetylcholine chloride,6060.0,181.086956432,-2.740299999999996,26.3
+METHAPYRILENE HYDROCHLORIDE,CN(C)CCN(Cc1cccs1)c1ccccn1.Cl,0.97598,Inactive,45771245,CN(C)CCN(Cc1cccs1)c1ccccn1.Cl,BONORRGKLJBGRV-UHFFFAOYSA-N,methapyrilene hydrochloride,8667.0,297.10664632,3.133100000000002,19.37
+NOVOBIOCIN SODIUM,COC1C(OC(N)=O)C(O)C(Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.[Na+],0.70124,Inactive,46026658,COC1C(OC(N)=O)C(O)C(Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.[Na+],WWPRGAYLRGSOSU-UHFFFAOYSA-M,cid 23710502,23710502.0,634.21385422,-0.0008799999999988,202.84
+STREPTOMYCIN SULFATE [5mM; 10% aq DMSO + 5mM ethanolamine],CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O.O=S(=O)(O)O,1.11055,Inactive,46046048,CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O.O=S(=O)(O)O,CFCMMYICHMLDCC-UHFFFAOYSA-N,strycin,18529465.0,679.2330492320001,-8.394560000000014,406.0300000000001
+BROMOCRIPTINE MESYLATE,CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)CC4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O,1.0657,Inactive,46108931,CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)CC4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O,NOJMTMIRQRDZMT-UHFFFAOYSA-N,"(6ar,9r)-5-bromo-n-[(1s,2s,4r,7s)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4h-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid",21868303.0,749.2093964680003,2.6968000000000005,172.57999999999998
+OLMESARTAN MEDOXOMIL,CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,1.096,Inactive,46153384,CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,UQGKUQLKSCSZGY-UHFFFAOYSA-N,olmesartan medoxomil,130881.0,558.2226826800002,4.170020000000003,162.15999999999997
+CHLORAMINE-T,Cc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+],1.0495,Inactive,46242811,Cc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+],VDQQXEISLMTGAB-UHFFFAOYSA-N,chloramine-t anhydrous,3641960.0,226.978371424,-0.78478,48.24
+BENZONATATE,CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1,1.094,Inactive,46285569,CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1,MAFMQEKGGFWBAB-UHFFFAOYSA-N,benzonatate,7699.0,603.3618615159999,2.834600000000004,121.40000000000003
+CICLOPIROX OLAMINE,Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO,0.053435,Active,46309097,Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO,MBRHNTMUYWQHMR-UHFFFAOYSA-N,ciclopirox olamine,38911.0,268.178692628,1.3791199999999997,88.48
+LEVOCARNITINE,C[N+](C)(C)CC(O)CC(=O)[O-],0.989425,Inactive,46320029,C[N+](C)(C)CC(O)CC(=O)[O-],PHIQHXFUZVPYII-UHFFFAOYSA-N,carnitine,288.0,161.10519334,-1.8064999999999984,60.36
+ADELMIDROL,O=C(CCCCCCCC(=O)NCCO)NCCO,0.892175,Inactive,46486992,O=C(CCCCCCCC(=O)NCCO)NCCO,PAHZPHDAJQIETD-UHFFFAOYSA-N,adelmidrol,176874.0,274.189257312,-0.0658999999999992,98.66
+SULFACHLORPYRIDAZINE,Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1,1.029,Inactive,46560583,Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1,XOXHILFPRYWFOD-UHFFFAOYSA-N,sulfachlorpyridazine,6634.0,284.01347420800005,1.513,97.97
+NITROFURANTOIN,O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1,0.046195,Active,46666388,O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1,NXFQHRVNIOXGAQ-UHFFFAOYSA-N,"1-[(5-nitro-2-furanyl)methylideneamino]imidazolidine-2,4-dione",4509.0,238.033819292,0.0734999999999999,118.05
+BUFEXAMAC,CCCCOc1ccc(CC(=O)NO)cc1,0.85675,Inactive,46927055,CCCCOc1ccc(CC(=O)NO)cc1,MXJWRABVEGLYDG-UHFFFAOYSA-N,bufexamac,2466.0,223.120843404,1.9134,58.56
+INDINAVIR SULFATE,CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O,0.91506,Inactive,47165045,CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O,CBVCZFGXHXORBI-UHFFFAOYSA-N,"1-[2-hydroxy-4-[(2-hydroxy-2,3-dihydro-1h-inden-1-yl)carbamoyl]-5-phenyl-pentyl]-4-(pyridin-3-ylmethyl)-n-tert-butyl-piperazine-2-carboxamide",3706.0,613.362804984,2.8669000000000016,118.03000000000002
+DIMETHYLSULFONE,CS(C)(=O)=O,1.04825,Inactive,47247926,CS(C)(=O)=O,HHVIBTZHLRERCL-UHFFFAOYSA-N,dimethyl sulfone,6213.0,94.008850432,-0.3391999999999999,34.14
+QUINOXYFEN,Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1,1.14755,Inactive,47282821,Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1,WRPIRSINYZBGPK-UHFFFAOYSA-N,quinoxyfen,3391107.0,306.996697456,5.473000000000002,22.12
+GLICLAZIDE,Cc1ccc(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)cc1,1.08865,Inactive,47408462,Cc1ccc(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)cc1,BOVGTQGAOIONJV-UHFFFAOYSA-N,gliclazide,3475.0,323.13036253200005,1.6298199999999994,78.50999999999999
+LETROZOLE,N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1,0.89003,Inactive,47453898,N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1,HPJKCIUCZWXJDR-UHFFFAOYSA-N,letrozole,3902.0,285.101445352,2.65916,78.29
+ANTIPYRINE,Cc1cc(=O)n(-c2ccccc2)n1C,1.01528,Inactive,47661850,Cc1cc(=O)n(-c2ccccc2)n1C,VEQOALNAAJBPNY-UHFFFAOYSA-N,antipyrine,2206.0,188.094963004,1.48442,26.93
+RISPERIDONE,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,1.09525,Inactive,47787980,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,RAPZEAPATHNIPO-UHFFFAOYSA-N,risperidone,5073.0,410.211804324,3.5904200000000026,64.16
+OXYMATRINE,O=C1CCCC2C3CCC[N+]4([O-])CCCC(CN12)C34,1.002445,Inactive,47821098,O=C1CCCC2C3CCC[N+]4([O-])CCCC(CN12)C34,XVPBINOPNYFXID-UHFFFAOYSA-N,sophoridine n-oxide,285670.0,264.183778008,1.8843,43.37
+NONIVAMIDE,CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,0.96778,Inactive,47853600,CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,RGOVYLWUIBMPGK-UHFFFAOYSA-N,nonivamide,2998.0,293.199093724,3.7676000000000025,58.56
+BROMPERIDOL,O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1,0.92806,Inactive,47967558,O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1,RKLNONIVDFXQRX-UHFFFAOYSA-N,bromperidol,2448.0,419.089619296,4.534700000000004,40.540000000000006
+PROPARGITE,C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1,0.936735,Inactive,48141613,C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1,ZYHMJXZULPZUED-UHFFFAOYSA-N,propargite,4936.0,350.155180312,3.9192000000000022,44.760000000000005
+ETHION,CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,1.01975,Inactive,48162858,CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,RIZMRRKBZQXFOY-UHFFFAOYSA-N,ethion,3286.0,383.9876164439999,5.005300000000004,36.92
+KETOPROFEN,CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,1.007,Inactive,48272126,CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,DKYWVDODHFEZIM-UHFFFAOYSA-N,ketoprofen,3825.0,254.094294308,3.105700000000001,54.37
+"STIGMASTA-4,22-DIEN-3-ONE",CCC(C=CC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)C,0.87856,Inactive,48281131,CCC(C=CC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)C,MKGZDUKUQPPHFM-UHFFFAOYSA-N,"17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",255607.0,410.354866092,8.00900000000001,17.07
+ETEBENECID,CCN(CC)S(=O)(=O)c1ccc(C(=O)O)cc1,1.04565,Inactive,48293108,CCN(CC)S(=O)(=O)c1ccc(C(=O)O)cc1,UACOQEQOBAQRDQ-UHFFFAOYSA-N,etebenecid,14604.0,257.07217896000003,1.4153000000000002,74.68
+LEOIDIN [10mg],COC(=O)c1c(C)c2c(c(C)c1O)OC(=O)c1c(C)c(Cl)c(O)c(Cl)c1O2,0.98893,Inactive,48352223,COC(=O)c1c(C)c2c(c(C)c1O)OC(=O)c1c(C)c(Cl)c(O)c(Cl)c1O2,RCLFRVZNHRFQGE-UHFFFAOYSA-N,leoidin,3503223.0,412.011658148,4.441360000000004,102.29000000000002
+ACETRIAZOIC ACID,CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I,1.15935,Inactive,48407693,CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I,GNOGSFBXBWBTIG-UHFFFAOYSA-N,acetrizoic acid,6806.0,556.7481870519999,3.157000000000001,66.4
+FLUMEQUINE,CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23,0.0455115,Active,48411103,CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23,DPSPPJIUMHPXMA-UHFFFAOYSA-N,flumequine,3374.0,261.080121464,2.346,59.3
+SITAGLIPTIN PHOSPHATE,NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O,0.870365,Inactive,48445008,NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O,GQPYTJVDPQTBQC-UHFFFAOYSA-N,sitagliptin phosphate hydrate;mk0431; mk 0431; mk-0431,53312473.0,523.1055393099999,0.2631999999999995,186.3
+CARMUSTINE,O=NN(CCCl)C(=O)NCCCl,1.1156,Inactive,48655106,O=NN(CCCl)C(=O)NCCCl,DLGOEMSEDOSKAD-UHFFFAOYSA-N,carmustine,2578.0,213.007181888,1.157,61.77
+"6,4'-DIHYDROXYFLAVONE",O=c1cc(-c2ccc(O)cc2)oc2ccc(O)cc12,1.005725,Inactive,48658397,O=c1cc(-c2ccc(O)cc2)oc2ccc(O)cc12,FFULTBKXWHYHFQ-UHFFFAOYSA-N,"4',6-dihydroxyflavone",182362.0,254.0579088,2.871200000000001,70.67
+ISOCONAZOLE NITRATE,Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1.O=[N+]([O-])O,0.73928,Inactive,48778541,Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1.O=[N+]([O-])O,NNGQLSIGRSTLLU-UHFFFAOYSA-N,isoconazole nitrate,159968.0,476.98166667999993,6.107100000000003,90.42
+DOBUTAMINE HYDROCHLORIDE,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl,1.0943,Inactive,48784870,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl,BQKADKWNRWCIJL-UHFFFAOYSA-N,dobutamine hydrochloride,65324.0,337.144471308,3.378600000000004,72.72
+METITEPINE MESYLATE,CS(=O)(=O)O.CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,0.64336,Inactive,48994249,CS(=O)(=O)O.CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,CZMDZGZYKOGLJY-UHFFFAOYSA-N,methiothepin mesylate,3039995.0,452.126205756,3.908300000000003,60.85000000000001
+LINCOMYCIN HYDROCHLORIDE,CCCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1.Cl,0.87263,Inactive,49099702,CCCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1.Cl,POUMFISTNHIPTI-UHFFFAOYSA-N,7-epi lincomycin hydrochloride salt,21872023.0,442.19043552,-0.435199999999998,122.49
+METHYLATROPINE NITRATE,C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-],1.02953,Inactive,49110446,C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-],NEDVJZNVOSNSHF-UHFFFAOYSA-N,"(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;nitrate",5860.0,366.179086552,1.8364,112.73
+LEVETIRACETAM,CCC(C(N)=O)N1CCCC1=O,1.0511,Inactive,49118546,CCC(C(N)=O)N1CCCC1=O,HPHUVLMMVZITSG-UHFFFAOYSA-N,etiracetam,59708.0,170.105527688,-0.1272999999999999,63.400000000000006
+VALINE (L),CC(C)C(N)C(=O)O,0.94825,Inactive,49143709,CC(C)C(N)C(=O)O,KZSNJWFQEVHDMF-UHFFFAOYSA-N,dl-valine,1182.0,117.078978592,0.0543,63.32000000000001
+ARSENIC TRIOXIDE DIETHANOLAMINE SALT,NCCO.NCCO.O[AsH]O[AsH]O,1.0386,Inactive,49266146,NCCO.NCCO.O[AsH]O[AsH]O,RDTAODVGWVGGEV-UHFFFAOYSA-N,2-aminoethanol;hydroxyarsanyloxyarsinous acid,168313195.0,323.964764676,-4.604599999999996,142.19
+LOBELINE HYDROCHLORIDE,CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1.Cl,1.05425,Inactive,49268479,CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1.Cl,MKMYPTLXLWOUSO-UHFFFAOYSA-N,2-(6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethanone hydrochloride,46202.0,373.180856816,4.657800000000006,40.540000000000006
+TANSHINONE IIA,Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C,1.119,Inactive,49388145,Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C,HYXITZLLTYIPOF-UHFFFAOYSA-N,tanshinone iia,164676.0,294.125594436,4.247920000000003,47.28
+5alpha-CHOLESTANOL,CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,1.0631,Inactive,49483794,CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,QYIXCDOBOSTCEI-UHFFFAOYSA-N,"5,6-dihydrocholesterol",3240.0,388.370516156,7.468600000000009,20.23
+OBTUSAQUINONE,COC1=CC(=O)C(O)=CC1=CC=Cc1ccccc1,1.08075,Inactive,49570962,COC1=CC(=O)C(O)=CC1=CC=Cc1ccccc1,LUZUAYAKZLCOCQ-UHFFFAOYSA-N,"4-cinnamylidene-2-hydroxy-5-methoxycyclohexa-2,5-dien-1-one",100227.0,254.094294308,3.1811000000000016,46.53
+"ISOTECTORIGENIN, 7-METHYL ETHER",COc1ccc(-c2coc3c(OC)c(OC)cc(O)c3c2=O)cc1,0.990685,Inactive,49589072,COc1ccc(-c2coc3c(OC)c(OC)cc(O)c3c2=O)cc1,WVKDAMAQNQRJFP-UHFFFAOYSA-N,"isotectorigenin, 7-methyl ether",6708795.0,328.094688232,3.1914000000000016,78.13
+PHYTOL,CC(=CCO)CCC(C)CCCC(C)CCCC(C)C,1.03605,Inactive,49686001,CC(=CCO)CCC(C)CCCC(C)CCCC(C)C,VNYGDSNUPVEJKI-UHFFFAOYSA-N,"3,6,10,14-tetramethylpentadec-2-en-1-ol",3978014.0,282.292265836,5.974000000000006,20.23
+ROCURONIUM BROMIDE,C=CC[N+]1(C2CC3C4CCC5CC(O)C(N6CCOCC6)CC5(C)C4CCC3(C)C2OC(C)=O)CCCC1.[Br-],1.0301,Inactive,49752317,C=CC[N+]1(C2CC3C4CCC5CC(O)C(N6CCOCC6)CC5(C)C4CCC3(C)C2OC(C)=O)CCCC1.[Br-],OYTJKRAYGYRUJK-UHFFFAOYSA-M,"acetic acid [3-hydroxy-10,13-dimethyl-2-(4-morpholinyl)-16-(1-prop-2-enyl-1-pyrrolidin-1-iumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] ester bromide",22058233.0,608.3188702759999,1.4115000000000038,59.00000000000001
+DIHYDROTANSHINONE I,Cc1cccc2c3c(ccc12)C1=C(C(=O)C3=O)C(C)CO1,1.1289,Inactive,49841734,Cc1cccc2c3c(ccc12)C1=C(C(=O)C3=O)C(C)CO1,HARGZZNYNSYSGJ-UHFFFAOYSA-N,dihydrotanshinone,5316743.0,278.094294308,3.2910200000000023,43.370000000000005
+ROXARSONE,O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O,1.12665,Inactive,50259147,O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O,XMVJITFPVVRMHC-UHFFFAOYSA-N,roxarsone,5104.0,262.941108412,-1.1386000000000005,120.9
+DEXIBUPROFEN,CC(C)Cc1ccc(C(C)C(=O)O)cc1,0.93336,Inactive,50359846,CC(C)Cc1ccc(C(C)C(=O)O)cc1,HEFNNWSXXWATRW-UHFFFAOYSA-N,ibuprofen,3672.0,206.130679816,3.073200000000001,37.3
+EXALAMIDE,CCCCCCOc1ccccc1C(N)=O,0.944595,Inactive,50555706,CCCCCCOc1ccccc1C(N)=O,CKSJXOVLXUMMFF-UHFFFAOYSA-N,exalamide,3316.0,221.141578848,2.7446,52.32
+"3,4,5-TRIMETHOXYBENZALDEHYDE",COc1cc(C=O)cc(OC)c1OC,1.04195,Inactive,50593492,COc1cc(C=O)cc(OC)c1OC,OPHQOIGEOHXOGX-UHFFFAOYSA-N,"3,4,5-trimethoxybenzaldehyde",6858.0,196.073558864,1.5248999999999997,44.760000000000005
+AMYGDALIN,N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,1.05205,Inactive,50730579,N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,XUCIJNAGGSZNQT-UHFFFAOYSA-N,"2-phenyl-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile",2180.0,457.15841068399993,-3.108019999999997,202.32
+NEBIVOLOL HYDROCHLORIDE,Cl.OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1,1.06025,Inactive,50951430,Cl.OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1,JWEXHQAEWHKGCW-UHFFFAOYSA-N,"2,2'-azanediylbis(1-(6-fluorochroman-2-yl)ethanol) hydrochloride",9933004.0,441.151842432,2.785400000000001,70.95
+CHLORQUINALDOL,Cc1ccc2c(Cl)cc(Cl)c(O)c2n1,1.09895,Inactive,50963841,Cc1ccc2c(Cl)cc(Cl)c(O)c2n1,GPTXWRGISTZRIO-UHFFFAOYSA-N,chlorquinaldol,6301.0,226.990469204,3.5556200000000016,33.120000000000005
+TIAPRIDE HYDROCHLORIDE,CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.Cl,1.1183,Inactive,51088015,CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.Cl,OTFDPNXIVHBTKW-UHFFFAOYSA-N,n-(2-(diethylamino)ethyl)-2-methoxy-5-(methylsulphonyl)benzamide monohydrochloride,39855.0,364.12235596,1.5920999999999996,75.71000000000001
+alpha-TOCHOPHEROL [4 mM],Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,1.1112,Inactive,51180834,Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,GVJHHUAWPYXKBD-UHFFFAOYSA-N,dl-alpha-tocopherol,2116.0,430.38108084,8.840260000000002,29.46
+TENYLIDONE,O=C1C(=Cc2cccs2)CCCC1=Cc1cccs1,1.05665,Inactive,51479362,O=C1C(=Cc2cccs2)CCCC1=Cc1cccs1,KHXBULXCCPIELT-UHFFFAOYSA-N,"2,6-bis(thiophen-2-ylmethylidene)cyclohexan-1-one",72068.0,286.048607068,5.029600000000003,17.07
+MEPHENESIN,Cc1ccccc1OCC(O)CO,1.03865,Inactive,51500824,Cc1ccccc1OCC(O)CO,JWDYCNIAQWPBHD-UHFFFAOYSA-N,mephenesin,4059.0,182.094294308,0.7270199999999998,49.69
+AVERMECTIN A1a,CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(OC)C(C)=CC(C(=O)O1)C34O)O2,0.94853,Inactive,51632464,CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(OC)C(C)=CC(C(=O)O1)C34O)O2,AFSHKCWTGFDXJR-UHFFFAOYSA-N,"2-butan-2-yl-24'-hydroxy-12'-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-21'-methoxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one",72765012.0,886.5078570480001,6.031500000000008,159.06
+BEKANAMYCIN SULFATE,NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O.O=S(=O)(O)O,0.048321,Active,51738467,NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O.O=S(=O)(O)O,YGTPKDKJVZOVCO-UHFFFAOYSA-N,"5-amino-2-(aminomethyl)-6-[4,6-diamino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4-diol;sulfuric acid",22495202.0,581.2214219279998,-7.977800000000013,363.00000000000006
+DEGUELIN(-),COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)C=CC(C)(C)O4,1.02385,Inactive,51777226,COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)C=CC(C)(C)O4,ORDAZKGHSNRHTD-UHFFFAOYSA-N,(-)-deguelin;(-)-cis-deguelin,606171.0,394.141638424,4.007900000000003,63.22000000000001
+OROTIC ACID,O=C(O)c1cc(=O)[nH]c(=O)[nH]1,1.01182,Inactive,51779780,O=C(O)c1cc(=O)[nH]c(=O)[nH]1,PXQPEWDEAKTCGB-UHFFFAOYSA-N,orotic acid,967.0,156.017106608,-1.2386,103.01999999999998
+ESCIN,CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C,0.73998,Inactive,51908620,CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C,AXNVHPCVMSNXNP-UHFFFAOYSA-N,aescin,4555259.0,1130.5509036320002,-1.3210999999999875,388.0400000000001
+MOEXIPRIL HYDROCHLORIDE,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2cc(OC)c(OC)cc2CC1C(=O)O.Cl,0.850925,Inactive,52306803,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2cc(OC)c(OC)cc2CC1C(=O)O.Cl,JXRAXHBVZQZSIC-UHFFFAOYSA-N,"2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1h-isoquinoline-3-carboxylic acid;hydrochloride",6850790.0,534.2132791399999,3.0061000000000013,114.40000000000002
+PIRENPERONE,Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,0.87426,Inactive,52695011,Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,HXCNRYXBZNHDNE-UHFFFAOYSA-N,pirenperone,4847.0,393.185255228,3.2794200000000027,54.68000000000001
+CLINDAMYCIN PALMITATE HYDROCHLORIDE,CCCCCCCCCCCCCCCC(=O)OC1C(SC)OC(C(NC(=O)C2CC(CCC)CN2C)C(C)Cl)C(O)C1O.Cl,0.86334,Inactive,52802900,CCCCCCCCCCCCCCCC(=O)OC1C(SC)OC(C(NC(=O)C2CC(CCC)CN2C)C(C)Cl)C(O)C1O.Cl,GTNDZRUWKHDICY-UHFFFAOYSA-N,"6-{2-chloro-1-[(1-methyl-4-propylpyrrolidin-2-yl)formamido]propyl}-4,5-dihydroxy-2-(methylsulfanyl)oxan-3-yl hexadecanoate hydrochloride",17750962.0,698.3862141280001,6.8435000000000095,108.33
+METHYL ORSELLINATE,COC(=O)c1c(C)cc(O)cc1O,0.963815,Inactive,52966225,COC(=O)c1c(C)cc(O)cc1O,NCCWCZLEACWJIN-UHFFFAOYSA-N,methyl orsellinate,76658.0,182.0579088,1.1928199999999995,66.76
+TRICAINE MESYLATE,CCOC(=O)c1cccc(N)c1.CS(=O)(=O)O,1.0261,Inactive,53006257,CCOC(=O)c1cccc(N)c1.CS(=O)(=O)O,FQZJYWMRQDKBQN-UHFFFAOYSA-N,"benzoic acid, 3-amino-, ethyl ester, methanesulfonate",13454.0,261.06709358,0.9495,106.69
+PHENIRAMINE MALEATE,CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)C=CC(=O)O,0.966075,Inactive,53029295,CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)C=CC(=O)O,SSOXZAQUVINQSA-UHFFFAOYSA-N,"n,n-dimethyl-3-phenyl-3-(pyridin-2-yl)propan-1-amine maleate",443885.0,356.17360724799994,2.877,90.73
+DIOSMIN,COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1O,1.1107,Inactive,53292928,COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1O,GZSOSUNBTXMUFQ-UHFFFAOYSA-N,"5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one",5353588.0,608.1741203239999,-1.0897,238.2
+RILUZOLE,Nc1nc2ccc(OC(F)(F)F)cc2s1,0.94315,Inactive,53661597,Nc1nc2ccc(OC(F)(F)F)cc2s1,FTALBRSUTCGOEG-UHFFFAOYSA-N,riluzole,5070.0,234.00746844,2.7771,48.14
+DIMETRIDAZOLE,Cc1ncc([N+](=O)[O-])n1C,1.09365,Inactive,53849262,Cc1ncc([N+](=O)[O-])n1C,IBXPYPUJPLLOIN-UHFFFAOYSA-N,dimetridazole,3090.0,141.053826464,0.63672,60.96
+CHRYSOPHANOL,Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O,1.06955,Inactive,53910314,Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O,LQGUBLBATBMXHT-UHFFFAOYSA-N,chrysophanic acid,10208.0,254.0579088,2.18162,74.6
+INDOLE-3-CARBINOL,OCc1c[nH]c2ccccc12,1.10445,Inactive,54034316,OCc1c[nH]c2ccccc12,IVYPNXXAYMYVSP-UHFFFAOYSA-N,indole-3-carbinol,3712.0,147.068413908,1.6602,36.02
+LIMONIN,CC1(C)OC2CC(=O)OCC23C1CC(=O)C1(C)C3CCC2(C)C(c3ccoc3)OC(=O)C3OC321,0.92909,Inactive,54175507,CC1(C)OC2CC(=O)OCC23C1CC(=O)C1(C)C3CCC2(C)C(c3ccoc3)OC(=O)C3OC321,KBDSLGBFQAGHBE-UHFFFAOYSA-N,evodia fruit,235284.0,470.1940679199999,3.137400000000002,104.57000000000002
+ETHYL VANILLIN,CCOc1cc(C=O)ccc1O,0.910635,Inactive,54286052,CCOc1cc(C=O)ccc1O,CBOQJANXLMLOSS-UHFFFAOYSA-N,ethyl vanillin,8467.0,166.06299418,1.6034,46.53
+PHYSOSTIGMINE SALICYLATE,CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C)C1N2C.O=C(O)c1ccccc1O,1.14345,Inactive,54303250,CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C)C1N2C.O=C(O)c1ccccc1O,HZOTZTANVBDFOF-UHFFFAOYSA-N,"2-hydroxybenzoic acid-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate (1:1)",14107710.0,413.195070964,2.8643000000000014,102.34
+OXOLAMINE CITRATE,CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0.96772,Inactive,54320379,CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O,RBZIGQJSMCOHSS-UHFFFAOYSA-N,oxolamine dihydrogen citrate,16045.0,437.1798148239999,1.3723999999999996,174.29
+GRAMICIDIN (gramicidin A shown),CC(C)CC(NC(=O)C(C)NC(=O)CNC(=O)C(NC=O)C(C)C)C(=O)NC(C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCO)C(C)C)C(C)C)C(C)C,0.895725,Inactive,54429586,CC(C)CC(NC(=O)C(C)NC(=O)CNC(=O)C(NC=O)C(C)C)C(=O)NC(C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCO)C(C)C)C(C)C)C(C)C,ZWCXYZRRTRDGQE-UHFFFAOYSA-N,gramicidina,16170150.0,1881.0705330199996,4.372299999999978,548.9899999999999
+QUERCETIN,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,0.93724,Inactive,54924928,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,REFJWTPEDVJJIY-UHFFFAOYSA-N,quercetin,5280343.0,302.04265266,1.988,131.36
+INDAPAMIDE,CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,1.00008,Inactive,54974577,CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,NDDAHWYSQHTHNT-UHFFFAOYSA-N,indapamide,3702.0,365.060090052,2.0834,92.5
+CINOXACIN,CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,0.053733,Active,54985976,CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,VDUWPHTZYNWKRN-UHFFFAOYSA-N,cinoxacin,2762.0,262.05897142000003,0.8432999999999997,90.65
+GESTODENE,C#CC1(O)C=CC2C3CCC4=CC(=O)CCC4C3CCC21CC,1.035835,Inactive,55039937,C#CC1(O)C=CC2C3CCC4=CC(=O)CCC4C3CCC21CC,SIGSPDASOTUPFS-UHFFFAOYSA-N,"13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3h-cyclopenta[a]phenanthren-3-one (non-preferred name)",2999.0,310.193280072,3.6586000000000025,37.3
+CEFALONIUM,NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cc4cccs4)C3SC2)cc1,0.63414,Inactive,55071380,NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cc4cccs4)C3SC2)cc1,FMZXNVLFJHCSAF-UHFFFAOYSA-N,cefalonium (anhydrous),13489313.0,458.071861676,-1.218899999999995,136.51
+HARMALOL HYDROCHLORIDE DIHYDRATE,CC1=NCCc2c1[nH]c1cc(O)ccc21.Cl.O.O,1.00009,Inactive,55080907,CC1=NCCc2c1[nH]c1cc(O)ccc21.Cl.O.O,OYKGNQNESCZSHQ-UHFFFAOYSA-N,harmalol hydrochloride dihydrate,135403649.0,272.092770084,1.0109999999999997,111.38
+PHTHALYLSULFACETAMIDE,CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1,0.876785,Inactive,55108940,CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1,SNWQKAWITMVCQW-UHFFFAOYSA-N,phthalylsulfacetamide,8574.0,362.0572571679999,1.4619000000000002,129.64
+PROCYCLIDINE HYDROCHLORIDE,Cl.OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,0.93107,Inactive,55122521,Cl.OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,ZFSPFXJSEHCTTR-UHFFFAOYSA-N,procyclidine hydrochloride,207841.0,323.20159226,4.362200000000004,23.47
+URAPIDIL HYDROCHLORIDE,COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.Cl,0.93208,Inactive,55141838,COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.Cl,KTMLZVUAXJERAT-UHFFFAOYSA-N,urapidil hydrochloride,167980.0,423.2037175,1.1385999999999994,71.74000000000001
+SODIUM PHENYLBUTYRATE,O=C([O-])CCCc1ccccc1.[Na+],0.83715,Inactive,55165394,O=C([O-])CCCc1ccccc1.[Na+],VPZRWNZGLKXFOE-UHFFFAOYSA-M,sodium phenylbutyrate,5258.0,186.065673872,-2.236799999999998,40.13
+RONNEL,COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl,0.0495885,Active,55244835,COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl,JHJOOSLFWRRSGU-UHFFFAOYSA-N,ronnel,9298.0,319.899734786,4.542900000000002,27.69
+SULCONAZOLE NITRATE,Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,0.985135,Inactive,55375726,Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,CRKGMGQUHDNAPB-UHFFFAOYSA-N,sulconazole nitrate,65495.0,458.997795412,6.170300000000004,81.19
+BRONOPOL,O=[N+]([O-])C(Br)(CO)CO,0.047519,Active,55625421,O=[N+]([O-])C(Br)(CO)CO,LVDKZNITIUWNER-UHFFFAOYSA-N,bronopol,2450.0,198.948019772,-0.6611,83.60000000000001
+APOCYNIN,COc1cc(C(C)=O)ccc1O,1.0916,Inactive,55627907,COc1cc(C(C)=O)ccc1O,DFYRUELUNQRZTB-UHFFFAOYSA-N,acetovanillone,2214.0,166.06299418,1.6034,46.53
+ORNITHINE HYDROCHLORIDE,Cl.NCCCC(N)C(=O)O,0.979095,Inactive,55735961,Cl.NCCCC(N)C(=O)O,GGTYBZJRPHEQDG-UHFFFAOYSA-N,dl-ornithine hydrochloride,71598.0,168.066555336,-0.4410000000000001,89.34
+AMPICILLIN SODIUM,CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)[O-].[Na+],1.05771,Inactive,56095710,CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)[O-].[Na+],KLOHDWPABZXLGI-UHFFFAOYSA-M,"4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(2r)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, sodium salt(1:1), (2s,5r,6r)-",23689391.0,371.091571336,-4.012599999999997,115.56
+ISOSORBIDE MONONITRATE,O=[N+]([O-])OC1COC2C(O)COC12,1.19955,Inactive,56159203,O=[N+]([O-])OC1COC2C(O)COC12,YWXYYJSYQOXTPL-UHFFFAOYSA-N,isoidide mononitrate,2724484.0,191.042987008,-1.2782000000000002,91.06000000000002
+"2',4'-DIHYDROXYCHALCONE",O=C(C=Cc1ccccc1)c1ccc(O)cc1O,0.916725,Inactive,56310019,O=C(C=Cc1ccccc1)c1ccc(O)cc1O,JUMSUVHHUVPSOY-UHFFFAOYSA-N,"1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one",344530.0,240.078644244,2.9939000000000013,57.53
+KETANSERIN,O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,0.92755,Inactive,56362568,O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,FPCCSQOGAWCVBH-UHFFFAOYSA-N,ketanserin,3822.0,395.164519784,2.423800000000001,75.17
+BUFLOMEDIL HYDROCHLORIDE,COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl,1.043,Inactive,56382827,COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl,ZDPACSAHMZADFZ-UHFFFAOYSA-N,"4-pyrrolidin-1-ium-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;chloride",37170.0,343.155035992,3.192900000000002,48.0
+ISOSAFROLE,CC=Cc1ccc2c(c1)OCO2,0.882925,Inactive,56510495,CC=Cc1ccc2c(c1)OCO2,VHVOLFRBFDOUSH-UHFFFAOYSA-N,"5-propenyl-benzo-1,3-dioxole",8439.0,162.06807956,2.4484000000000004,18.46
+AMODIAQUINE DIHYDROCHLORIDE,CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O.Cl.Cl,0.88417,Inactive,56689407,CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O.Cl.Cl,DHTLLULITDNQFA-UHFFFAOYSA-N,isoquine dihydrochloride,5702008.0,427.0984954279999,6.0228000000000055,48.39
+DIPHENYLUREA,O=C(Nc1ccccc1)Nc1ccccc1,0.90431,Inactive,56806418,O=C(Nc1ccccc1)Nc1ccccc1,GWEHVDNNLFDJLR-UHFFFAOYSA-N,carbanilide,7595.0,212.094963004,3.3306000000000013,41.13
+NORSTICTIC ACID,Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)C(O)OC3=O,0.9478,Inactive,57059289,Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)C(O)OC3=O,IEVVSJFLBYOUCJ-UHFFFAOYSA-N,norstictic acid,5379540.0,372.048131964,2.013340000000001,139.59
+VERATRIC ACID,COc1ccc(C(=O)O)cc1OC,1.0915,Inactive,57098901,COc1ccc(C(=O)O)cc1OC,DAUAQNGYDSHRET-UHFFFAOYSA-N,veratric acid,7121.0,182.0579088,1.402,55.760000000000005
+RIFAMPIN,COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,0.077718,Active,57286400,COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,JQXXHWHPUNPDRT-UHFFFAOYSA-N,"[2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(4-methylpiperazin-1-yl)iminomethyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate",135512673.0,822.4051232960003,4.335420000000004,220.14999999999995
+ASTRAGALOSIDE IV,CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(OC5OC(CO)C(O)C(O)C5O)C5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)O1,0.914235,Inactive,57304637,CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(OC5OC(CO)C(O)C(O)C5O)C5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)O1,QMNWISYXSJWHRY-UHFFFAOYSA-N,"2-[[14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-(3,4,5-trihydroxyoxan-2-yl)oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol",500122.0,784.460906856,0.7241000000000044,228.21999999999997
+PROADIFEN HYDROCHLORIDE,CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1.Cl,0.943395,Inactive,57585805,CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1.Cl,FHIKZROVIDCMJA-UHFFFAOYSA-N,proadifen hydrochloride,65341.0,389.212156944,5.079600000000006,29.54
+CEPHALOTHIN SODIUM,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.[Na+],0.0434565,Active,57585884,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.[Na+],VUFGUVLLDPOSBC-UHFFFAOYSA-M,sodium 3-(acetoxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,23689697.0,418.02692248000005,-3.738399999999995,115.84
+"trans,trans-FARNESOL",CC(C)=CCCC(C)=CCCC(C)=CCO,0.916495,Inactive,57586398,CC(C)=CCCC(C)=CCCC(C)=CCO,CRDAMVZIKSXKFV-UHFFFAOYSA-N,farnesol,3327.0,222.198365452,4.397900000000004,20.23
+ENOXOLONE,CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,0.894225,Inactive,57611862,CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,MPDGHEJMBKOTSU-UHFFFAOYSA-N,"olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3beta,20beta)-",3230.0,470.33960995199993,6.412600000000009,74.6
+AMILORIDE HYDROCHLORIDE,Cl.N=C(N)NC(=O)c1nc(Cl)c(N)nc1N,1.024895,Inactive,57652144,Cl.N=C(N)NC(=O)c1nc(Cl)c(N)nc1N,ACHKKGDWZVCSNH-UHFFFAOYSA-N,"pyrazinecarboxamide, 3,5-diamino-n-(aminoiminomethyl)-6-chloro-, monohydrochloride",16230.0,265.024563268,-0.6605300000000001,156.79
+EMODIN,Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,0.923205,Inactive,57673020,Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,RHMXXJGYXNZAPX-UHFFFAOYSA-N,emodin,3220.0,270.05282342,1.88722,94.83
+DIIODOTYROSINE DIHYDRATE,NC(Cc1cc(I)c(O)c(I)c1)C(=O)O.O.O,0.929055,Inactive,58007682,NC(Cc1cc(I)c(O)c(I)c1)C(=O)O.O.O,YWAGQOOMOOUEGY-UHFFFAOYSA-N,"(s)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)-propanoic acid dihydrate",18505242.0,468.8883185159999,-0.0936000000000001,146.55
+CHLOROPYRAMINE HYDROCHLORIDE,CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1.Cl,1.003265,Inactive,58111131,CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1.Cl,VEYWWAGBHABATA-UHFFFAOYSA-N,"n-p-chlorobenzyl-n',n'-dimethyl-n-2-pyridylethylenediamine hydrochloride",25294.0,325.11125303200004,3.7250000000000023,19.37
+FLUCYTOSINE,Nc1nc(=O)[nH]cc1F,0.935495,Inactive,58248513,Nc1nc(=O)[nH]cc1F,XRECTZIEBJDKEO-UHFFFAOYSA-N,flucytosine,3366.0,129.033839968,-0.5088000000000001,71.77
+"2',4'-DIHYDROXYCHALCONE 4'-GLUCOSIDE",O=C(C=Cc1ccccc1)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1O,0.945235,Inactive,58288342,O=C(C=Cc1ccccc1)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1O,SYDNPHFWTKACIZ-UHFFFAOYSA-N,"1-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-phenylprop-2-en-1-one",5239685.0,402.1314676639999,0.4669999999999992,136.68
+HELICIN,O=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O,1.0651,Inactive,58334607,O=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O,BGOFCVIGEYGEOF-UHFFFAOYSA-N,2-formylphenyl hexopyranoside,3788736.0,284.089602852,-1.3222000000000005,116.45000000000002
+CHINIOFON,O=S(=O)([O-])c1cc(I)c(O)c2ncccc12.[Na+],0.579685,Inactive,58673161,O=S(=O)([O-])c1cc(I)c(O)c2ncccc12.[Na+],NWAPYWBKEFRREH-UHFFFAOYSA-M,sodium 8-hydroxy-7-iodoquinoline-5-sulphonate,23697127.0,372.8881709200001,-1.5469,90.32
+PIPERONYL BUTOXIDE,CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2,0.859345,Inactive,58679613,CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2,FIPWRIJSWJWJAI-UHFFFAOYSA-N,piperonyl butoxide,5794.0,338.2093240599999,3.7177000000000016,46.150000000000006
+NALTREXONE HYDROCHLORIDE,Cl.O=C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5,1.03235,Inactive,58729767,Cl.O=C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5,RHBRMCOKKKZVRY-UHFFFAOYSA-N,naltrexone-hcl,21863274.0,377.139385928,1.9472,70.0
+ESTRADIOL BENZOATE,CC12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CCC2O,1.038,Inactive,58734560,CC12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CCC2O,UYIFTLBWAOGQBI-UHFFFAOYSA-N,"estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate",3262.0,376.203844756,5.122800000000005,46.53
+NETILMICIN SULFATE,CCNC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1OC1OCC(C)(O)C(NC)C1O.O=S(=O)(O)O.O=S(=O)(O)O,1.10645,Inactive,58859057,CCNC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1OC1OCC(C)(O)C(NC)C1O.O=S(=O)(O)O.O=S(=O)(O)O,LOKMIGZKRZJVNT-UHFFFAOYSA-N,,,671.23535774,-4.506300000000004,348.92999999999995
+PINACIDIL,CC(NC(=NC#N)Nc1ccncc1)C(C)(C)C,1.0951,Inactive,58935546,CC(NC(=NC#N)Nc1ccncc1)C(C)(C)C,IVVNZDGDKPTYHK-UHFFFAOYSA-N,pinacidil,4826.0,245.164045608,2.3547800000000008,73.1
+NITAZOXANIDE,CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1,0.525515,Inactive,59038974,CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1,YQNQNVDNTFHQSW-UHFFFAOYSA-N,nitazoxanide,41684.0,307.026291388,2.2289000000000003,111.43
+ZIDOVUDINE [AZT],Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O,0.0448905,Active,59047210,Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O,HBOMLICNUCNMMY-UHFFFAOYSA-N,"1-[(2r,4r,5s)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione",5726.0,267.096753896,-0.1962800000000001,133.07999999999998
+PREGNENOLONE SUCCINATE,CC(=O)C1CCC2C3CC=C4CC(OC(=O)CCC(=O)O)CCC4(C)C3CCC12C,1.1409,Inactive,59336974,CC(=O)C1CCC2C3CC=C4CC(OC(=O)CCC(=O)O)CCC4(C)C3CCC12C,OZZAYJQNMKMUSD-UHFFFAOYSA-N,"4-[(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl)oxy]-4-oxobutanoic acid",20728.0,416.256274252,4.9310000000000045,80.67
+SUCCINYLSULFATHIAZOLE,O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,1.104,Inactive,59356694,O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,SKVLYVHULOWXTD-UHFFFAOYSA-N,succinylsulfathiazole,5315.0,355.02966251600003,1.7471999999999996,125.46
+VINBLASTINE SULFATE,CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1.O=S(=O)(O)O,0.93188,Inactive,59439157,CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1.O=S(=O)(O)O,KDQAABAKXDWYSZ-UHFFFAOYSA-N,cid 21867765,21867765.0,908.38775898,3.3381000000000043,228.7
+ARSANILIC ACID,Nc1ccc([As](=O)(O)O)cc1,0.95515,Inactive,59492028,Nc1ccc([As](=O)(O)O)cc1,XKNKHVGWJDPIRJ-UHFFFAOYSA-N,arsanilic acid,7389.0,216.972014616,-1.1702000000000004,83.55000000000001
+CHLOROQUINE DIPHOSPHATE,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O,1.13575,Inactive,59552918,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O,QKICWELGRMTQCR-UHFFFAOYSA-N,chloroquine phosphate,64927.0,515.1353159239998,2.9534000000000047,183.68
+DURMILLONE,COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c2c1OC(C)(C)C=C2,0.849005,Inactive,59719187,COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c2c1OC(C)(C)C=C2,SQBVRNCDBATODN-UHFFFAOYSA-N,durmillone,12309400.0,378.110338296,4.381500000000004,67.13000000000001
+CIPROFLOXACIN,O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,0.047841,Active,59856225,O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,MYSWGUAQZAJSOK-UHFFFAOYSA-N,ciprofloxacin,2764.0,331.13321965599994,1.5833,74.57
+XANTHOPTERIN,Nc1nc2ncc(=O)[nH]c2c(=O)[nH]1,0.857875,Inactive,60006572,Nc1nc2ncc(=O)[nH]c2c(=O)[nH]1,VURKRJGMSKJIQX-UHFFFAOYSA-N,xanthopterin,135403800.0,179.0443244,-1.4114000000000009,117.51999999999998
+IPRATROPIUM BROMIDE,CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.[Br-],1.1741,Inactive,60264487,CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.[Br-],LHLMOSXCXGLMMN-UHFFFAOYSA-M,ipratropii bromidum,31098.0,411.14090592,-0.1418999999999979,46.53
+CHLORPYRIFOS,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,1.0584,Inactive,60376332,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,SBPBAQFWLVIOKP-UHFFFAOYSA-N,chlorpyrifos,2730.0,348.926283882,4.718100000000002,40.58
+PINDOLOL,CC(C)NCC(O)COc1cccc2[nH]ccc12,0.91724,Inactive,60546287,CC(C)NCC(O)COc1cccc2[nH]ccc12,JZQKKSLKJUAGIC-UHFFFAOYSA-N,pindolol,4828.0,248.15247788,1.9055999999999995,57.28
+NORGESTIMATE,C#CC1(OC(C)=O)CCC2C3CCC4=CC(=NO)CCC4C3CCC21CC,0.91553,Inactive,60595347,C#CC1(OC(C)=O)CCC2C3CCC4=CC(=NO)CCC4C3CCC21CC,KIQQMECNKUGGKA-UHFFFAOYSA-N,"(13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl) acetate",89386.0,369.230393852,4.714500000000005,58.89
+CHLOROXYLENOL,Cc1cc(O)cc(C)c1Cl,0.46338,Inactive,60630685,Cc1cc(O)cc(C)c1Cl,OSDLLIBGSJNGJE-UHFFFAOYSA-N,chloroxylenol,2723.0,156.034192588,2.662440000000001,20.23
+DAIDZEIN,O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,0.967005,Inactive,60740184,O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,ZQSIJRDFPHDXIC-UHFFFAOYSA-N,daidzein,5281708.0,254.0579088,2.871200000000001,70.67
+CYCLOPAMINE,CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C,1.04573,Inactive,60758911,CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C,QASFUMOKHFSJGL-UHFFFAOYSA-N,"3',6',10,11b-tetramethylspiro(2,3,4,6,6a,6b,7,8,11,11a-decahydro-1h-benzo(a)fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3h-furo(3,2-b)pyridine)-3-ol",4113848.0,411.313729552,5.0019000000000045,41.49
+DI-O-DEMETHYLCURCUMIN,O=C(C=Cc1ccc(O)c(O)c1)C=C(O)C=Cc1ccc(O)c(O)c1,0.9843,Inactive,60914255,O=C(C=Cc1ccc(O)c(O)c1)C=C(O)C=Cc1ccc(O)c(O)c1,MQHBAUYEIFLTRU-UHFFFAOYSA-N,,,340.09468823199995,3.2466000000000017,118.22
+CABAZITAXEL,COC1C(=O)C2(C)C(OC)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C,0.892115,Inactive,61091489,COC1C(=O)C2(C)C(OC)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C,BMQGVNUXMIRLCK-UHFFFAOYSA-N,cabazitaxel-[d6],21348140.0,835.377905504,4.5678000000000045,202.45
+PALIPERIDONE,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O,1.11045,Inactive,61130830,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O,PMXMIIMHBWHSKN-UHFFFAOYSA-N,paliperidone,115237.0,426.206718944,3.081320000000002,84.39
+SULFACETAMIDE,CC(=O)NS(=O)(=O)c1ccc(N)cc1,1.11615,Inactive,61225553,CC(=O)NS(=O)(=O)c1ccc(N)cc1,SKIVFJLNDNKQPD-UHFFFAOYSA-N,sulfacetamide,5320.0,214.04121318,0.0935999999999998,89.26
+LORGLUMIDE SODIUM,CCCCCN(CCCCC)C(=O)C(CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1.[Na+],1.0567,Inactive,61442706,CCCCCN(CCCCC)C(=O)C(CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1.[Na+],JCNPYMDDOUQTBK-UHFFFAOYSA-M,lorglumide sodium,23681233.0,480.155857112,0.8349000000000015,89.53999999999999
+ACETOPHENAZINE MALEATE,CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)C=CC(=O)O,1.16685,Inactive,61514603,CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)C=CC(=O)O,JVMBOHDUHCHGOE-UHFFFAOYSA-N,but-2-enedioic acid;1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone,21941.0,527.2090067759999,3.2037000000000004,121.62000000000002
+SPECTINOMYCIN HYDROCHLORIDE,CNC1C(O)C(NC)C2OC3(O)C(=O)CC(C)OC3OC2C1O.Cl.Cl,0.048002,Active,61552043,CNC1C(O)C(NC)C2OC3(O)C(=O)CC(C)OC3OC2C1O.Cl.Cl,FOGDPGQSHLLYIK-UHFFFAOYSA-N,"8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0,3,8]tetradecan-7-one dihydrochloride",21881164.0,404.111706532,-2.081999999999998,129.51
+DICLORALUREA,O=C(NC(O)C(Cl)(Cl)Cl)NC(O)C(Cl)(Cl)Cl,1.2084,Inactive,61560140,O=C(NC(O)C(Cl)(Cl)Cl)NC(O)C(Cl)(Cl)Cl,PPJXIHLNYDVTDI-UHFFFAOYSA-N,dicloralurea,8313.0,351.850958132,1.6627999999999998,81.59
+ACACETIN,COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,1.1077,Inactive,61873189,COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,DANYIYRPLHHOCZ-UHFFFAOYSA-N,acacetin,5280442.0,284.06847348400004,2.879800000000001,79.9
+"BETAMETHASONE 17,21-DIPROPIONATE",CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,0.83209,Inactive,61892884,CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,CIWBQSYVNNPZIQ-UHFFFAOYSA-N,"betamethasone 17,21-dipropionate",546807.0,504.252331744,3.8175000000000026,106.97
+MECLIZINE HYDROCHLORIDE,Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl,0.96903,Inactive,61905130,Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl,VCTHNOIYJIXQLV-UHFFFAOYSA-N,meclizine dihydrochloride,64713.0,462.139631968,6.399220000000007,6.48
+BRAZILEIN,O=C1C=C2CC3(O)COc4cc(O)ccc4C3=C2C=C1O,1.11995,Inactive,61977582,O=C1C=C2CC3(O)COc4cc(O)ccc4C3=C2C=C1O,MLWIYODOURBGPI-UHFFFAOYSA-N,,,284.068473484,1.624,86.99000000000001
+ERGOCALCIFEROL,C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)C=CC(C)C(C)C,1.143,Inactive,62097008,C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)C=CC(C)C(C)C,MECHNRXZTMCUDQ-UHFFFAOYSA-N,"3-{2-[1-(5,6-dimethylhept-3-en-2-yl)-7a-methyl-hexahydro-1h-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol",3249.0,396.339216028,7.641000000000008,20.23
+CAPECITABINE,CCCCCOC(=O)Nc1nc(=O)n(C2OC(C)C(O)C2O)cc1F,1.0994,Inactive,62148780,CCCCCOC(=O)Nc1nc(=O)n(C2OC(C)C(O)C2O)cc1F,GAGWJHPBXLXJQN-UHFFFAOYSA-N,1-(5-deoxypentofuranosyl)-5-fluoro-4-{[(pentyloxy)carbonyl]amino}pyrimidin-2(1h)-one,400633.0,359.149263644,0.7601999999999995,122.91
+TETRANDRINE,COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3,0.939705,Inactive,62446897,COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3,WVTKBKWTSCPRNU-UHFFFAOYSA-N,isosinomenine a,5422.0,622.3042870639999,7.162400000000009,61.86000000000001
+AMITRIPTYLINE HYDROCHLORIDE,CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl,0.97636,Inactive,62554421,CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl,KFYRPLNVJVHZGT-UHFFFAOYSA-N,amitriptyline hydrochloride,11065.0,313.159727448,4.590400000000005,3.24
+LARIXINIC ACID,Cc1occc(=O)c1O,0.980445,Inactive,62663306,Cc1occc(=O)c1O,XPCTZQVDEJYUGT-UHFFFAOYSA-N,maltol,8369.0,126.031694052,0.6538199999999998,50.44
+PIPERIC ACID,O=C(O)C=CC=Cc1ccc2c(c1)OCO2,0.963055,Inactive,62912568,O=C(O)C=CC=Cc1ccc2c(c1)OCO2,RHBGITBPARBDPH-UHFFFAOYSA-N,"5-(1,3-benzodioxol-5-yl)-2,4-pentadienoic acid",94305.0,218.0579088,2.0693,55.760000000000005
+VINCRISTINE SULFATE,CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1.O=S(=O)(O)O,1.0791,Inactive,62972906,CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1.O=S(=O)(O)O,AQTQHPDCURKLKT-UHFFFAOYSA-N,vincristine sulphate,21864436.0,922.367023536,2.864700000000004,245.76999999999995
+METHSUXIMIDE,CN1C(=O)CC(C)(c2ccccc2)C1=O,1.10345,Inactive,63118944,CN1C(=O)CC(C)(c2ccccc2)C1=O,AJXPJJZHWIXJCJ-UHFFFAOYSA-N,methsuximide,6476.0,203.094628656,1.333,37.38
+AMINACRINE,Nc1c2ccccc2nc2ccccc12,0.0461185,Active,63210426,Nc1c2ccccc2nc2ccccc12,XJGFWWJLMVZSIG-UHFFFAOYSA-N,aminacrine,7019.0,194.08439832,2.970200000000001,38.91
+TRIMETHADIONE,CN1C(=O)OC(C)(C)C1=O,0.91449,Inactive,63334115,CN1C(=O)OC(C)(C)C1=O,IRYJRGCIQBGHIV-UHFFFAOYSA-N,trimethadione,5576.0,143.058243148,0.3735999999999999,46.61
+CAPOBENIC ACID,COc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC,1.12445,Inactive,63349168,COc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC,MPTXLVRHYGBOQY-UHFFFAOYSA-N,capobenic acid,30627.0,325.152537456,2.0872,94.09
+PROCAINE HYDROCHLORIDE,CCN(CC)CCOC(=O)c1ccc(N)cc1.Cl,1.0773,Inactive,63414308,CCN(CC)CCOC(=O)c1ccc(N)cc1.Cl,HCBIBCJNVBAKAB-UHFFFAOYSA-N,procaine hydrochloride,5795.0,272.129155592,2.1892,55.56
+BORNYL ACETATE,CC(=O)OC1CC2CCC1(C)C2(C)C,0.977515,Inactive,63640824,CC(=O)OC1CC2CCC1(C)C2(C)C,KGEKLUUHTZCSIP-UHFFFAOYSA-N,"acetic acid 1,7,7-trimethyl-bicyclo(2.2.1)hept-2-yl ester",6448.0,196.14632988,2.7643000000000013,26.3
+TRIMIPRAMINE MALEATE,CC(CN(C)C)CN1c2ccccc2CCc2ccccc21.O=C(O)C=CC(=O)O,1.005145,Inactive,63824604,CC(CN(C)C)CN1c2ccccc2CCc2ccccc21.O=C(O)C=CC(=O)O,YDGHCKHAXOUQOS-UHFFFAOYSA-N,rhotrimine; sapilent; surmontil,114766.0,410.2205574399999,3.8328000000000015,81.08
+DIBUTYL SUBERATE,CCCCOC(=O)CCCCCCC(=O)OCCCC,0.918665,Inactive,63904758,CCCCOC(=O)CCCCCCC(=O)OCCCC,LBXQUCHUHCBNTC-UHFFFAOYSA-N,dibutyl suberate,85278.0,286.21440944,4.013600000000004,52.60000000000001
+MEFENAMIC ACID,Cc1cccc(Nc2ccccc2C(=O)O)c1C,1.006135,Inactive,64188042,Cc1cccc(Nc2ccccc2C(=O)O)c1C,HYYBABOKPJLUIN-UHFFFAOYSA-N,mefenamic acid,4044.0,241.11027872,3.7452400000000017,49.33
+OXALIPLATIN,NC1CCCCC1N.O=C1O[Pt]OC1=O,0.99271,Inactive,64219800,NC1CCCCC1N.O=C1O[Pt]OC1=O,ZROHGHOFXNOHSO-UHFFFAOYSA-L,"cyclohexane-1,2-diamine; oxalate; platinum(2+)",77994.0,397.060148028,-0.7861,104.64
+ANIRACETAM,COc1ccc(C(=O)N2CCCC2=O)cc1,1.12025,Inactive,64284963,COc1ccc(C(=O)N2CCCC2=O)cc1,ZXNRTKGTQJPIJK-UHFFFAOYSA-N,aniracetam,2196.0,219.089543276,1.4578,46.61
+DICTAMNINE,COc1c2ccccc2nc2occc12,0.69733,Inactive,64292186,COc1c2ccccc2nc2occc12,WIONIXOBNMDJFJ-UHFFFAOYSA-N,dictamnine,68085.0,199.063328528,2.989600000000001,35.260000000000005
+MEPHENYTOIN,CCC1(c2ccccc2)NC(=O)N(C)C1=O,0.93061,Inactive,64340083,CCC1(c2ccccc2)NC(=O)N(C)C1=O,GMHKMTDVRCWUDX-UHFFFAOYSA-N,mephenytoin,4060.0,218.105527688,1.4735000000000005,49.41
+MEQUINOL,COc1ccc(O)cc1,1.004905,Inactive,64347191,COc1ccc(O)cc1,NWVVVBRKAWDGAB-UHFFFAOYSA-N,mequinol,9015.0,124.052429496,1.4008,29.46
+VALACYCLOVIR HYDROCHLORIDE,CC(C)C(N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21.Cl,0.942075,Inactive,64355395,CC(C)C(N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21.Cl,ZCDDBUOENGJMLV-UHFFFAOYSA-N,2-[(2-azanyl-6-oxidanylidene-3h-purin-9-yl)methoxy]ethyl 2-azanyl-3-methyl-butanoate hydrochloride,135616190.0,360.1312808320001,-0.3757999999999982,151.14000000000004
+DECOQUINATE [5mM],CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC,0.91247,Inactive,64382489,CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC,JHAYEQICABJSTP-UHFFFAOYSA-N,decoquinate,29112.0,417.25152322,6.035300000000007,77.88000000000001
+GLUCOSAMINE HYDROCHLORIDE,Cl.NC1C(O)OC(CO)C(O)C1O,1.1926,Inactive,64559427,Cl.NC1C(O)OC(CO)C(O)C1O,QKPLRMLTKYXDST-UHFFFAOYSA-N,d-(+)-galactosamine hydrochloride,2830832.0,215.056050228,-2.8332,116.17000000000002
+PENTOLINIUM TARTRATE,C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C([O-])C(O)C(O)C(=O)O.O=C([O-])C(O)C(O)C(=O)O,0.99223,Inactive,64648847,C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C([O-])C(O)C(O)C(=O)O.O=C([O-])C(O)C(O)C(=O)O,HSMKTIKKPMTUQH-UHFFFAOYSA-L,pentolinium bitartrate,5702277.0,538.2737747839998,-4.277099999999989,235.78
+GLYCYLGLYCINE,NCC(=O)NCC(=O)O,1.009445,Inactive,64658459,NCC(=O)NCC(=O)O,YMAWOPBAYDPSLA-UHFFFAOYSA-N,glycylglycine,11163.0,132.053492116,-1.8541,92.42
+CYSTEINE HYDROCHLORIDE,Cl.NC(CS)C(=O)O,1.00666,Inactive,64915947,Cl.NC(CS)C(=O)O,IFQSXNOEEPCSLW-UHFFFAOYSA-N,"dl-cysteine, hydrochloride",25150.0,156.996427176,-0.2501,63.32000000000001
+HYDROCORTISONE PHOSPHATE TRIETHYLAMINE,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COP(=O)([O-])[O-].CC[NH+](CC)CC.CC[NH+](CC)CC,1.09965,Inactive,64935134,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COP(=O)([O-])[O-].CC[NH+](CC)CC.CC[NH+](CC)CC,KBGCXUBOAUWAIS-UHFFFAOYSA-N,,,644.4165535419999,0.4966000000000072,155.9
+TRIFLUOPERAZINE HYDROCHLORIDE,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl,1.01681,Inactive,64998407,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl,BXDAOUXDMHXPDI-UHFFFAOYSA-N,trifluoperazine hydrochloride,66064.0,479.117658852,5.7892000000000055,9.72
+NEOSTIGMINE BROMIDE,CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-],1.1915,Inactive,65057028,CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-],LULNWZDBKTWDGK-UHFFFAOYSA-M,neostigmine bromide,8246.0,302.062989948,-1.052299999999998,29.540000000000003
+ISOROTENONE,COc1cc2c(cc1OC)C1C(=O)c3ccc4oc(C(C)C)cc4c3OC1CO2,0.794655,Inactive,65172071,COc1cc2c(cc1OC)C1C(=O)c3ccc4oc(C(C)C)cc4c3OC1CO2,DJDRQIXLFYUYAA-UHFFFAOYSA-N,"(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6ah)-one, 12,12a-dihydro-2-isopropyl-8,9-dimethoxy-, (+)-",3503071.0,394.141638424,4.693300000000004,67.13000000000001
+TEPOXALIN,COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1,0.86075,Inactive,65314068,COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1,XYKWNRUXCOIMFZ-UHFFFAOYSA-N,tepoxalin,59757.0,385.11931918,3.981500000000002,67.59
+CAPTAMINE,CN(C)CCS,0.895535,Inactive,65404722,CN(C)CCS,DENMGZODXQRYAR-UHFFFAOYSA-N,captamine,25799.0,105.061220352,0.4777999999999999,3.24
+BISOCTRIZOLE,CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1,1.05955,Inactive,65422950,CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1,FQUNFJULCYSSOP-UHFFFAOYSA-N,bisoctrizole,3571576.0,658.3995248400001,9.583999999999996,101.88
+BISMUTH SUBSALICYLATE,O=C1O[Bi](O)Oc2ccccc21,1.0506,Inactive,65437165,O=C1O[Bi](O)Oc2ccccc21,ZREIPSZUJIFJNP-UHFFFAOYSA-K,bismuth;2-oxidobenzoate;hydroxide,53629521.0,361.99918234,0.213,55.760000000000005
+AMLODIPINE BESYLATE,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1,0.92938,Inactive,65946147,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1,ZPBWCRDSRKPIDG-UHFFFAOYSA-N,amlodipine besylate,60496.0,566.1489646319999,3.199600000000002,154.25
+HELENINE,C=C1C(=O)OC2CC3(C)CCCC(C)C3=CC12,1.0655,Inactive,66065996,C=C1C(=O)OC2CC3(C)CCCC(C)C3=CC12,PXOYOCNNSUAQNS-UHFFFAOYSA-N,bohlmann k2631,327378.0,232.14632988,3.2406000000000024,26.3
+TERBINAFINE HYDROCHLORIDE,CN(CC=CC#CC(C)(C)C)Cc1cccc2ccccc12.Cl,0.98515,Inactive,66145185,CN(CC=CC#CC(C)(C)C)Cc1cccc2ccccc12.Cl,BWMISRWJRUSYEX-UHFFFAOYSA-N,tdt 067 hydrochloride,64146.0,327.17537751199995,5.2991000000000055,3.24
+GEFITINIB,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,0.930015,Inactive,66390311,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,XGALLCVXEZPNRQ-UHFFFAOYSA-N,gefitinib,123631.0,446.152096528,4.275600000000003,68.74000000000001
+"2',5'-DIHYDROXY-4-METHOXYCHALCONE",COc1ccc(C=CC(=O)c2cc(O)ccc2O)cc1,0.897105,Inactive,66475999,COc1ccc(C=CC(=O)c2cc(O)ccc2O)cc1,FUQGIYDZGLORRC-UHFFFAOYSA-N,cid 240469,240469.0,270.089208928,3.0025000000000013,66.76
+THIAMYLAL SODIUM,C=CCC1(C(C)CCC)C(=O)N=C([S-])NC1=O.[Na+],1.0337,Inactive,66514940,C=CCC1(C(C)CCC)C(=O)N=C([S-])NC1=O.[Na+],LYZGJWXNOGIVQA-UHFFFAOYSA-M,thiamylal sodium,23677058.0,276.090843064,-1.4515999999999971,58.53
+FOLIC ACID,Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2[nH]1,0.996315,Inactive,66680489,Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2[nH]1,OVBPIULPVIDEAO-UHFFFAOYSA-N,"2-[(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid",135444779.0,441.139681328,-0.0447999999999994,213.27999999999997
+SINAPIC ACID METHYL ETHER,COc1cc(C=CC(=O)O)cc(OC)c1OC,1.0699,Inactive,66719830,COc1cc(C=CC(=O)O)cc(OC)c1OC,YTFVRYKNXDADBI-UHFFFAOYSA-N,"3,4,5-trimethoxyl cinnamic acid",7021.0,238.084123548,1.8102,64.99000000000001
+ACETYL HYMETOCHROME,CC(=O)Oc1ccc2c(C)cc(=O)oc2c1,1.0889,Inactive,66727207,CC(=O)Oc1ccc2c(C)cc(=O)oc2c1,HXVZGASCDAGAPS-UHFFFAOYSA-N,4-methylumbelliferyl acetate,366.0,218.0579088,2.02672,56.510000000000005
+DICYCLOMINE HYDROCHLORIDE,CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.Cl,1.13965,Inactive,67079523,CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.Cl,GUBNMFJOJGDCEL-UHFFFAOYSA-N,dicyclomine hydrochloride,441344.0,345.243457072,4.824000000000006,29.54
+COLFORSIN,C=CC1(C)CC(=O)C2(O)C(C)(O1)C(OC(C)=O)C(O)C1C(C)(C)CCC(O)C12C,1.23535,Inactive,67256651,C=CC1(C)CC(=O)C2(O)C(C)(O1)C(OC(C)=O)C(O)C1C(C)(C)CCC(O)C12C,OHCQJHSOBUTRHG-UHFFFAOYSA-N,forskolin racemate,3413.0,410.230453428,1.5198999999999987,113.29000000000002
+ETODOLAC,CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3,1.0493,Inactive,67495633,CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3,NNYBQONXHNTVIJ-UHFFFAOYSA-N,etodolac,3308.0,287.152143532,3.383000000000002,62.32000000000001
+DEFERIPRONE,Cc1c(O)c(=O)ccn1C,0.98516,Inactive,67614997,Cc1c(O)c(=O)ccn1C,TZXKOCQBRNJULO-UHFFFAOYSA-N,deferiprone,2972.0,139.063328528,0.3993199999999998,42.23
+SULFATHIAZOLE,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,1.04755,Inactive,67677119,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,JNMRHUJNCSQMMB-UHFFFAOYSA-N,sulfathiazole,5340.0,255.013618528,1.5261,85.08
+BENZOYL PEROXIDE,O=C(OOC(=O)c1ccccc1)c1ccccc1,0.93822,Inactive,67677248,O=C(OOC(=O)c1ccccc1)c1ccccc1,OMPJBNCRMGITSC-UHFFFAOYSA-N,benzoyl peroxide,7187.0,242.0579088,2.615400000000001,52.6
+TANGERITIN,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1,0.9327,Inactive,67701920,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1,ULSUXBXHSYSGDT-UHFFFAOYSA-N,tangeretin,68077.0,372.12090298,3.503000000000003,76.36000000000001
+"1,7-DIDEACETOXY-1,7-DIOXO-3-DEACETYLKHIVORIN",CC1(C)C(O)CC(=O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,1.0936,Inactive,67774843,CC1(C)C(O)CC(=O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,BSZLLSHGSWKZRE-UHFFFAOYSA-N,"7-(furan-3-yl)-15-hydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-5,13,19-trione",4207726.0,456.2148033639999,3.3929000000000027,106.34
+NYLIDRIN HYDROCHLORIDE,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl,1.0155,Inactive,67955278,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl,CLJHABUMMDMAFA-UHFFFAOYSA-N,arlidin,13320.0,335.165206752,3.846800000000003,52.49
+FLUTICASONE PROPIONATE,CCC(=O)OC1(C(=O)SCF)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,0.97106,Inactive,68091907,CCC(=O)OC1(C(=O)SCF)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,WMWTYOKRWGGJOA-UHFFFAOYSA-N,"6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propanoate",3399.0,500.184429752,4.430000000000004,80.67
+MORIN,O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,1.12055,Inactive,68111343,O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,YXOLAZRVSSWPPT-UHFFFAOYSA-N,morin,5281670.0,302.04265266,1.987999999999999,131.36
+SULFASALAZINE,O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,1.11015,Inactive,68228350,O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,NCEXYHBECQHGNR-UHFFFAOYSA-N,sulfasalazine,5339.0,398.068490548,3.701600000000001,141.31
+CHLOROGENIC ACID,O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,1.03725,Inactive,68317475,O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,CWVRJTMFETXNAD-UHFFFAOYSA-N,"3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid",348159.0,354.09508215599993,-0.6459000000000001,164.75
+CLOSANTEL,Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O,0.64365,Inactive,68502508,Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O,JMPFSEBWVLAJKM-UHFFFAOYSA-N,closantel,42574.0,661.852179048,7.124400000000003,73.12
+FURALTADONE,O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1,0.5745,Inactive,68580200,O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1,YVQVOQKFMFRVGR-UHFFFAOYSA-N,5-morpholinomethyl-3-[5-nitrofurfurylideneamino]-2-oxazolidinone,3434.0,324.10698423199995,0.6747000000000003,110.65
+PREDNISOLONE ACETATE,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C,1.01765,Inactive,68650762,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C,LRJOMUJRLNCICJ-UHFFFAOYSA-N,"11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate",4895.0,402.20423868,2.1284,100.90000000000002
+TANNIC ACID,O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,0.646525,Inactive,68677718,O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,LRBQNJMCXXYXIU-UHFFFAOYSA-N,"1,2,3,4,6-pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate]beta-d-glucopyranose",16129878.0,1700.172974183999,4.838100000000016,777.9800000000005
+FURAZOLIDONE,O=C1OCCN1N=Cc1ccc([N+](=O)[O-])o1,0.045735,Active,68769304,O=C1OCCN1N=Cc1ccc([N+](=O)[O-])o1,PLHJDBGFXBMTGZ-UHFFFAOYSA-N,nf 180 custom mix ten,3435.0,225.038570324,0.9739,98.18
+BENOXINATE HYDROCHLORIDE,CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.Cl,0.9547,Inactive,68777855,CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.Cl,PRGUDWLMFLCODA-UHFFFAOYSA-N,4-amino-3-butoxybenzoic acid 2-(diethylamino)ethyl ester hydrochloride,22304.0,344.18667046800005,3.368100000000001,64.79
+DEHYDROCHOLATE SODIUM,CC(CCC(=O)[O-])C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C.[Na+],1.0022,Inactive,68822117,CC(CCC(=O)[O-])C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C.[Na+],FKJIJBSJQSMPTI-UHFFFAOYSA-M,"sodium 4-[10,13-dimethyl-3,7,12-tris(oxidanylidene)-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate",23690441.0,424.222568436,-0.2573999999999958,91.34
+SULFAMETHOXAZOLE,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,0.972465,Inactive,68873314,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,JLKIGFTWXXRPMT-UHFFFAOYSA-N,sulfamethoxazole,5329.0,253.052112212,1.3660199999999998,98.22
+LOPERAMIDE HYDROCHLORIDE,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl,1.00925,Inactive,68898685,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl,PGYPOBZJRVSMDS-UHFFFAOYSA-N,loperamide hydrochloride,71420.0,512.199733688,5.509800000000007,43.78
+ACEDOBEN,CC(=O)Nc1ccc(C(=O)O)cc1,1.0218,Inactive,68922618,CC(=O)Nc1ccc(C(=O)O)cc1,QCXJEYYXVJIFCE-UHFFFAOYSA-N,acedoben,19266.0,179.058243148,1.3432,66.4
+FUSIDIC ACID,CC(=O)OC1CC2(C)C(CC(O)C3C4(C)CCC(O)C(C)C4CCC32C)C1=C(CCC=C(C)C)C(=O)O,1.1217,Inactive,68955871,CC(=O)OC1CC2(C)C(CC(O)C3C4(C)CCC(O)C(C)C4CCC32C)C1=C(CCC=C(C)C)C(=O)O,IECPWNUMDGFDKC-UHFFFAOYSA-N,"2-[2-(acetyloxy)-7,10-dihydroxy-3a,3b,6,9a-tetramethyl-dodecahydro-2h-cyclopenta[a]phenanthren-1-ylidene]-6-methylhept-5-enoic acid",3443.0,516.3450892559999,5.6661000000000055,104.06000000000002
+NILVADIPINE,COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,1.041115,Inactive,69119183,COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,FAIIFDPAEUKBEP-UHFFFAOYSA-N,nilvadipine,4494.0,385.127385328,2.4578800000000003,131.56
+HUPERZINE A,CC=C1C2C=C(C)CC1(N)c1ccc(=O)[nH]c1C2,0.948555,Inactive,69191848,CC=C1C2C=C(C)CC1(N)c1ccc(=O)[nH]c1C2,ZRJBHWIHUMBLCN-UHFFFAOYSA-N,(+/-)-huperzine a,1253.0,242.141913196,1.9975,58.88
+ESTROPIPATE,C1CNCCN1.CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O,0.9652,Inactive,69192384,C1CNCCN1.CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O,HZEQBCVBILBTEP-UHFFFAOYSA-N,piperazine oestrone sulphate,21873159.0,436.203193124,2.4726,104.73000000000002
+SIROLIMUS,COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C,1.005645,Inactive,69332028,COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C,QFJCIRLUMZQUOT-UHFFFAOYSA-N,mtor inhibitor i,5040.0,913.555141588,6.180600000000006,195.42999999999995
+HOMIDIUM BROMIDE,CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-],0.91453,Inactive,69338722,CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-],ZMMJGEGLRURXTF-UHFFFAOYSA-N,ethidium bromide,14710.0,393.08405974,1.1358,55.92
+VERBENALIN,COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12,1.1094,Inactive,69378962,COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12,HLXRWTJXGMHOFN-UHFFFAOYSA-N,"methyl 7-methyl-5-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1h-cyclopenta[c]pyran-4-carboxylate",273110.0,388.136946968,-1.942599999999998,151.98000000000002
+RUTILANTINONE,CCC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC,1.053355,Inactive,69533290,CCC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC,RWCVSDKDFSVZNF-UHFFFAOYSA-N,eta-pyrromycinon,271301.0,428.11073221999993,1.4135999999999995,161.58999999999995
+OXANTEL PAMOATE,CN1CCCN=C1C=Cc1cccc(O)c1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,1.1042,Inactive,69538746,CN1CCCN=C1C=Cc1cccc(O)c1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,CCOAINFUFGBHBA-UHFFFAOYSA-N,"4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid,3-[(e)-2-(1-methyl-5,6-dihydro-4h-pyrimidin-2-yl)ethenyl]phenol",50250.0,604.2209513639999,6.530800000000007,150.89
+BETAMETHASONE SODIUM PHOSPHATE,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],1.1008,Inactive,69657324,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],PLCQGRYPOISRTQ-UHFFFAOYSA-L,"sodium 2-((8s,9r,10s,11s,13s,16r,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl phosphate",517289.0,516.130121266,-5.243299999999994,147.02
+SINENSETIN,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1OC,0.9298,Inactive,69886937,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1OC,LKMNXYDUQXAUCZ-UHFFFAOYSA-N,sinensetin,145659.0,372.12090298,3.503000000000003,76.36000000000001
+ACONITIC ACID,O=C(O)C=C(CC(=O)O)C(=O)O,1.062525,Inactive,69927666,O=C(O)C=C(CC(=O)O)C(=O)O,GTZCVFVGUGFEME-UHFFFAOYSA-N,"1-propene-1,2,3-tricarboxylic acid",309.0,174.016437912,-0.4432999999999996,111.9
+GLUTAMINE (D),NC(=O)CCC(N)C(=O)O,0.953325,Inactive,69974400,NC(=O)CCC(N)C(=O)O,ZDXPYRJPNDTMRX-UHFFFAOYSA-N,dl-glutamine,738.0,146.06914218,-1.3361999999999998,106.41
+FLORFENICOL,CS(=O)(=O)c1ccc(C(O)C(CF)NC(=O)C(Cl)Cl)cc1,0.046256,Active,70019855,CS(=O)(=O)c1ccc(C(O)C(CF)NC(=O)C(Cl)Cl)cc1,AYIRNRDRBQJXIF-UHFFFAOYSA-N,"2,2-dichloro-n-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide",5201447.0,357.000462508,1.3815,83.47
+BUTYLATED HYDROXYTOLUENE,Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,1.01535,Inactive,70052720,Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,NLZUEZXRPGMBCV-UHFFFAOYSA-N,butylated hydroxytoluene,31404.0,220.182715388,4.295620000000004,20.23
+BETAINE HYDROCHLORIDE,C[N+](C)(C)CC(=O)[O-].Cl,0.997045,Inactive,70120213,C[N+](C)(C)CC(=O)[O-].Cl,HOPSCVCBEOCPJZ-UHFFFAOYSA-N,betaine hydrochloride,11545.0,153.055656304,-1.1357,40.13
+KOPARIN,COc1ccc(-c2coc3cc(O)ccc3c2=O)c(O)c1O,1.11005,Inactive,70158532,COc1ccc(-c2coc3cc(O)ccc3c2=O)c(O)c1O,SMOFGXHPWCTYQD-UHFFFAOYSA-N,koparin,5318834.0,300.063388104,2.5854000000000017,100.13
+SARAFLOXACIN HYDROCHLORIDE,Cl.O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O,0.04564,Active,70553699,Cl.O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O,KNWODGJQLCISLC-UHFFFAOYSA-N,sarafloxacin hydrochloride,56207.0,421.100475556,2.7985000000000007,74.57
+ETHOSUXIMIDE,CCC1(C)CC(=O)NC1=O,0.995465,Inactive,70673654,CCC1(C)CC(=O)NC1=O,HAPOVYFOVVWLRS-UHFFFAOYSA-N,ethosuximide,3291.0,141.078978592,0.4491999999999999,46.17
+ALTRENOGEST,C=CCC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C=CC21C,1.0823,Inactive,70810244,C=CCC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C=CC21C,VWAUPFMBXBWEQY-UHFFFAOYSA-N,"17-hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",13324.0,310.193280072,4.275600000000004,37.3
+"3',6-DIHYDROXYFLAVONE",O=c1cc(-c2cccc(O)c2)oc2ccc(O)cc12,0.98169,Inactive,70934771,O=c1cc(-c2cccc(O)c2)oc2ccc(O)cc12,YHLLABKHTFWHSZ-UHFFFAOYSA-N,"6,3'-dihydroxyflavone",688662.0,254.0579088,2.871200000000001,70.67
+ISOPEONOL,COc1cc(O)ccc1C(C)=O,1.02965,Inactive,71182075,COc1cc(O)ccc1C(C)=O,XPHIPEXPAGCEBM-UHFFFAOYSA-N,1-(4-hydroxy-2-methoxyphenyl)ethanone,529402.0,166.06299418,1.6034,46.53
+ASPIRIN,CC(=O)Oc1ccccc1C(=O)O,1.0289,Inactive,71308230,CC(=O)Oc1ccccc1C(=O)O,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,aspirin,2244.0,180.042258736,1.3101,63.60000000000001
+GLYCYRRHIZIN,CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1,0.969955,Inactive,71549743,CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1,LPLVUJXQOOQHMX-UHFFFAOYSA-N,liquorice,3495.0,822.403785904,2.245600000000003,267.04
+DELAPRIL HYDROCHLORIDE,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1.Cl,1.03135,Inactive,71648095,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1.Cl,FDJCVHVKXFIEPJ-UHFFFAOYSA-N,delapril hcl;cv-3317;cv 3317;cv3317,21585224.0,488.207799836,3.031400000000002,95.94
+AGOMELATINE,COc1ccc2cccc(CCNC(C)=O)c2c1,1.0769,Inactive,71757762,COc1ccc2cccc(CCNC(C)=O)c2c1,YJYPHIXNFHFHND-UHFFFAOYSA-N,agomelatine,82148.0,243.125928784,2.527,38.33
+MIGLITOL,OCCN1CC(O)C(O)C(O)C1CO,1.029945,Inactive,71804344,OCCN1CC(O)C(O)C(O)C1CO,IBAQFPQHRJAVAV-UHFFFAOYSA-N,"1,5-dideoxy-1,5-((2-hydroxyethyl)imino)-d-glucitol",51577.0,207.110672644,-3.262099999999999,104.39
+HYDRASTININE HYDROCHLORIDE,CN1CCc2cc3c(cc2C1O)OCO3.Cl,1.013545,Inactive,72087524,CN1CCc2cc3c(cc2C1O)OCO3.Cl,DLNQCQJCIITVHC-UHFFFAOYSA-N,hydrastinine hydrochloride,71833.0,243.066220988,1.3159,41.93000000000001
+L-DEOXYALLIIN,C=CCSCC(N)C(=O)O,1.0334,Inactive,72319341,C=CCSCC(N)C(=O)O,ZFAHNWWNDFHPOH-UHFFFAOYSA-N,s-allyl-l-cysteine,98280.0,161.051049592,0.3174999999999999,63.32000000000001
+CHLOROGUANIDE HYDROCHLORIDE,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl,0.96518,Inactive,72593162,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl,SARMGXPVOFNNNG-UHFFFAOYSA-N,(1e)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;hydrochloride,12498.0,289.086100904,2.63084,83.79
+DACTINOMYCIN,Cc1c2oc3c(C)ccc(C(=O)OC(C)C4NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C5CCCN5C(=O)C(C(C)C)NC4=O)c3nc-2c(C(=O)OC(C)C2NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C3CCCN3C(=O)C(C(C)C)NC2=O)c(N)c1=O,0.75794,Inactive,72766875,Cc1c2oc3c(C)ccc(C(=O)OC(C)C4NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C5CCCN5C(=O)C(C(C)C)NC4=O)c3nc-2c(C(=O)OC(C)C2NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C3CCCN3C(=O)C(C(C)C)NC2=O)c(N)c1=O,QKRYGAZNLBVXHK-UHFFFAOYSA-N,"2-amino-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxylic acid bis[1-[10,13-dimethyl-2,5,8,11,14-pentaoxo-3,9-di(propan-2-yl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]ethyl] ester",45006140.0,1254.6284746719996,0.725640000000003,359.9799999999999
+SUPLATAST TOSYLATE,CCOCC(O)COc1ccc(NC(=O)CC[S+](C)C)cc1.Cc1ccc(S(=O)(=O)[O-])cc1,1.087,Inactive,72851091,CCOCC(O)COc1ccc(NC(=O)CC[S+](C)C)cc1.Cc1ccc(S(=O)(=O)[O-])cc1,RYVJQEZJUFRANT-UHFFFAOYSA-N,suplatast tosilate,71773.0,499.1698443959999,2.5684200000000006,124.98999999999998
+GLIPIZIDE,Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,1.15155,Inactive,73251822,Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,ZJJXGWJIGJFDTL-UHFFFAOYSA-N,glipizide,3478.0,445.1783753440001,2.0781199999999997,130.14999999999998
+SPARTEINE SULFATE,C1CCN2CC3CC(CN4CCCCC34)C2C1.O=S(=O)(O)O,1.0865,Inactive,73270648,C1CCN2CC3CC(CN4CCCCC34)C2C1.O=S(=O)(O)O,FCEHFCFHANDXMB-UHFFFAOYSA-N,tocosimplex,230880.0,332.1769783759999,1.6923000000000004,81.08000000000001
+QUERCITRIN,CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,1.14085,Inactive,73283966,CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,quercetin 3-o-rhamnoside,5353915.0,448.1005614599999,0.4886999999999995,190.28
+OMEPRAZOLE,COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1,1.0582,Inactive,73362195,COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1,SUBDBMMJDZJVOS-UHFFFAOYSA-N,omeprazole,4594.0,345.11471246800005,2.8997400000000004,77.1
+CLOTRIMAZOLE,Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,1.20315,Inactive,73398722,Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,VNFPBHJOKIVQEB-UHFFFAOYSA-N,clotrimazole,2812.0,344.10802622400007,5.376700000000004,17.82
+TENATOPRAZOLE,COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2n1,1.10795,Inactive,73422530,COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2n1,ZBFDAUIVDSSISP-UHFFFAOYSA-N,tenatoprazole,636411.0,346.10996143600005,2.29474,89.99000000000001
+ 4-METHOXY-4'-HYDROXY-DALBERGIONE,C=CC(C1=CC(=O)C(OC)=CC1=O)c1ccc(O)cc1,1.05785,Inactive,73605986,C=CC(C1=CC(=O)C(OC)=CC1=O)c1ccc(O)cc1,DLCVFIMWFKVRTM-UHFFFAOYSA-N,"dalbergione, 4-methoxy-4'-hydroxy-",3950721.0,270.089208928,2.2703,63.60000000000001
+PYRAZINAMIDE,NC(=O)c1cnccn1,1.08865,Inactive,73722151,NC(=O)c1cnccn1,IPEHBUMCGVEMRF-UHFFFAOYSA-N,pyrazinamide,1046.0,123.04326178,-0.4245000000000001,68.87
+HYDROCORTISONE HEMISUCCINATE,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,0.96093,Inactive,73776199,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,VWQWXZAWFPZJDA-UHFFFAOYSA-N,"4-[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoic acid",3643.0,462.22536804799984,2.1973,138.2
+BUTOPYRONOXYL,CCCCOC(=O)C1=CC(=O)CC(C)(C)O1,0.97945,Inactive,73839634,CCCCOC(=O)C1=CC(=O)CC(C)(C)O1,OKIJSNGRQAOIGZ-UHFFFAOYSA-N,butopyronoxyl,10760.0,226.120509056,1.9816,52.60000000000001
+ALISKIREN HEMIFUMARATE,COCCCOc1cc(CC(CC(N)C(O)CC(C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.O=C(O)C=CC(=O)O,0.977765,Inactive,73963300,COCCCOc1cc(CC(CC(N)C(O)CC(C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.O=C(O)C=CC(=O)O,RSFGNDXWVZPKJA-UHFFFAOYSA-N,"(2s,4s,5s,7r)-aliskirenfumarate(2",74331761.0,667.4043950240001,3.0053000000000045,220.73
+DAPOXETINE HYDROCHLORIDE,CN(C)C(CCOc1cccc2ccccc12)c1ccccc1.Cl,0.68552,Inactive,73998383,CN(C)C(CCOc1cccc2ccccc12)c1ccccc1.Cl,IHWDIQRWYNMKFM-UHFFFAOYSA-N,dimethyl(3-(naphthalen-1-yloxy)-1-phenylpropyl)amine hydrochloride,22313133.0,341.154642068,5.3334000000000055,12.47
+CEFTIBUTEN,Nc1nc(C(=CCC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=CCSC23)cs1,0.0485235,Active,74098449,Nc1nc(C(=CCC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=CCSC23)cs1,UNJFKXSSGBWRBZ-UHFFFAOYSA-N,"7-{[2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",2654.0,410.035476168,-0.0481999999999998,162.92
+FROVATRIPTAN SUCCINATE,CNC1CCC2Nc3ccc(C(N)=O)cc3C2C1.O=C(O)CCC(=O)O,1.017015,Inactive,74342730,CNC1CCC2Nc3ccc(C(N)=O)cc3C2C1.O=C(O)CCC(=O)O,OSYFSGKNLLQINY-UHFFFAOYSA-N,,,363.1794209,1.3708999999999998,141.75
+7-METHOXYCHROMONE,COc1ccc2c(=O)ccoc2c1,0.85073,Inactive,74350411,COc1ccc2c(=O)ccoc2c1,ZIPLCYUNFCYCCT-UHFFFAOYSA-N,7-methoxy-4h-chromen-4-one,600605.0,176.047344116,1.8016,39.44
+RALOXIFENE HYDROCHLORIDE,Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,1.08635,Inactive,74496197,Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,BKXVVCILCIUCLG-UHFFFAOYSA-N,raloxifene hydrochloride,54900.0,509.1427570559999,6.497000000000006,70.0
+NAFTOPIDIL,COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1,0.799835,Inactive,74544990,COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1,HRRBJVNMSRJFHQ-UHFFFAOYSA-N,naftopidil,4418.0,392.209992756,3.410300000000002,45.17
+GOSSYPOL-ACETIC ACID COMPLEX,CC(=O)O.Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,1.02105,Inactive,74712252,CC(=O)O.Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,NIOHNDKHQHVLKA-UHFFFAOYSA-N,gossypol acetic acid,227456.0,578.215197288,6.473140000000009,192.82
+ISAXONINE,CC(C)Nc1ncccn1,0.953395,Inactive,74758123,CC(C)Nc1ncccn1,FTCYIGBVOHNHCD-UHFFFAOYSA-N,isaxonine,71169.0,137.095297352,1.2969,37.81
+ALLYLISOTHIOCYANATE,C=CCN=C=S,0.98068,Inactive,74827417,C=CCN=C=S,ZOJBYZNEUISWFT-UHFFFAOYSA-N,allyl isothiocyanate,5971.0,99.01427016,1.2752,12.36
+BUTOCONAZOLE,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,0.883045,Inactive,74855011,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,SWLMUYACZKCSHZ-UHFFFAOYSA-N,butoconazole,47472.0,410.017802584,6.637000000000003,17.82
+DIGITOXIN,CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O,1.05843,Inactive,74949339,CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O,WDJUZGPOPHTGOT-UHFFFAOYSA-N,digimed,3061.0,764.4346921080001,3.2473000000000014,182.83
+CARISOPRODOL,CCCC(C)(COC(N)=O)COC(=O)NC(C)C,1.0429,Inactive,75013151,CCCC(C)(COC(N)=O)COC(=O)NC(C)C,OFZCIYFFPZCNJE-UHFFFAOYSA-N,carisoprodol,2576.0,260.173607248,2.0227,90.65
+HEXYLRESORCINOL,CCCCCCc1ccc(O)cc1O,0.47322,Inactive,75038017,CCCCCCc1ccc(O)cc1O,WFJIVOKAWHGMBH-UHFFFAOYSA-N,hexylresorcinol,3610.0,194.130679816,3.2206000000000023,40.46
+HYDROXYTOLUIC ACID,Cc1cccc(C(=O)O)c1O,1.02995,Inactive,75320583,Cc1cccc(C(=O)O)c1O,WHSXTWFYRGOBGO-UHFFFAOYSA-N,hydroxytoluic acid,6738.0,152.047344116,1.39882,57.53
+RAMIPRIL,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1C(C(=O)O)CC2CCCC21,1.0312,Inactive,75328834,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1C(C(=O)O)CC2CCCC21,HDACQVRGBOVJII-UHFFFAOYSA-N,quark,5038.0,416.231122124,2.3831999999999995,95.94
+TUBOCURARINE CHLORIDE PENTAHYDRATE,COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4ccc(cc4)CC3N(C)CC2)CC[N+]1(C)C.Cl.O.O.O.O.O.[Cl-],0.99537,Inactive,75335952,COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4ccc(cc4)CC3N(C)CC2)CC[N+]1(C)C.Cl.O.O.O.O.O.[Cl-],WMIZITXEJNQAQK-UHFFFAOYSA-N,tubocurarine hydrochloride pentahydrate,78168870.0,770.294815844,0.0033000000000008,238.12
+MALATHION,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,1.04765,Inactive,75399033,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,JXSJBGJIGXNWCI-UHFFFAOYSA-N,malathion,4004.0,330.036066958,2.1218000000000004,71.06
+DEACETOXY-7-OXOGEDUNIN,CC1(C)C(=O)C=CC2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,1.11245,Inactive,75508115,CC1(C)C(=O)C=CC2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,PMISPNORJONCHB-UHFFFAOYSA-N,7-deacetyl-7-oxogedunin,1886.0,438.2042386799999,4.198100000000003,86.11000000000001
+GLUCONOLACTONE,O=C1OC(CO)C(O)C(O)C1O,1.07285,Inactive,75734184,O=C1OC(CO)C(O)C(O)C1O,PHOQVHQSTUBQQK-UHFFFAOYSA-N,"d-gluconic acid, delta-lactone",736.0,178.04773804,-3.0132000000000008,107.22
+MOXIFLOXACIN HYDROCHLORIDE,COc1c(N2CC3CCCNC3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl,0.045905,Active,75771018,COc1c(N2CC3CCCNC3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl,IDIIJJHBXUESQI-UHFFFAOYSA-N,"7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid hydrochloride",441377.0,437.15176218,2.7923000000000004,83.80000000000001
+PROBENECID,CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,1.0425,Inactive,75839091,CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,DBABZHXKTCFAPX-UHFFFAOYSA-N,probenecid,4911.0,285.10347908800003,2.1955,74.68
+CYCLOTHIAZIDE,NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O,1.02374,Inactive,75858738,NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O,BOCUKUHCLICSIY-UHFFFAOYSA-N,cyclothiazide,2910.0,389.0270756719999,1.2295000000000005,118.36
+NALOXONE HYDROCHLORIDE,C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5.Cl,1.1064,Inactive,75863766,C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5.Cl,RGPDIGOSVORSAK-UHFFFAOYSA-N,"4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride",18703312.0,363.123735864,1.7231999999999998,70.0
+GANCICLOVIR HYDRATE,Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1.O,1.04652,Inactive,75867748,Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1.O,KLXHZXWXXKSKRU-UHFFFAOYSA-N,9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]guanine hydrate,136078993.0,273.10731858,-2.795599999999999,170.78
+IMIQUIMOD HYDROCHLORIDE,CC(C)Cn1cnc2c(N)nc3ccccc3c21.Cl,1.09455,Inactive,75980768,CC(C)Cn1cnc2c(N)nc3ccccc3c21.Cl,RGKLRAHQVIHCCH-UHFFFAOYSA-N,imiquimod hydrochloride,13982876.0,276.114174224,3.2445000000000017,56.73
+BUTENAFINE HYDROCHLORIDE,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl,1.089,Inactive,75994645,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl,LJBSAUIFGPSHCN-UHFFFAOYSA-N,butenafine hydrochloride,443867.0,353.19102757599995,6.191100000000006,3.24
+BUTACAINE SULFATE,CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.O=S(=O)(O)O,0.985875,Inactive,75997482,CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.O=S(=O)(O)O,REAJXHWQEFYUCV-UHFFFAOYSA-N,butacaine hemisulphate,345939.0,404.1981077439999,3.0651,130.16
+HISTAMINE DIHYDROCHLORIDE,Cl.Cl.NCCc1c[nH]cn1,1.19065,Inactive,76036299,Cl.Cl.NCCc1c[nH]cn1,PPZMYIBUHIPZOS-UHFFFAOYSA-N,histamine dihydrochloride,5818.0,183.033002712,0.7545000000000002,54.7
+IZALPININ,COc1cc(O)c2c(=O)c(O)c(-c3ccccc3)oc2c1,1.016075,Inactive,76180731,COc1cc(O)c2c(=O)c(O)c(-c3ccccc3)oc2c1,PVJNLMXWZXXHSZ-UHFFFAOYSA-N,izalpinin,5318691.0,284.06847348400004,2.879800000000001,79.9
+TROXIPIDE,COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC,1.08095,Inactive,76457614,COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC,YSIITVVESCNIPR-UHFFFAOYSA-N,troxipide,5597.0,294.157957184,1.1941999999999997,68.82000000000001
+D-(-)-FRUCTOSE ,OCC1OC(O)(CO)C(O)C1O,1.1126,Inactive,76471677,OCC1OC(O)(CO)C(O)C1O,RFSUNEUAIZKAJO-UHFFFAOYSA-N,"2,5-bis(hydroxymethyl)oxolane-2,3,4-triol",716.0,180.063388104,-3.2198,110.38
+IPRIFLAVONE,CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1,1.1165,Inactive,76519072,CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1,SFBODOKJTYAUCM-UHFFFAOYSA-N,ipriflavone,3747.0,280.109944372,4.247200000000003,39.44
+SCLAREOL,C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(C)CCCC21C,0.9532,Inactive,76522980,C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(C)CCCC21C,XVULBTBTFGYVRC-UHFFFAOYSA-N,"1-(3-hydroxy-3-methylpent-4-enyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1h-naphthalen-2-ol",521332.0,308.271530392,4.697200000000005,40.46
+SOLIFENACIN SUCCINATE,O=C(O)CCC(=O)O.O=C(OC1CN2CCC1CC2)N1CCc2ccccc2C1c1ccccc1,1.01505,Inactive,76625652,O=C(O)CCC(=O)O.O=C(OC1CN2CCC1CC2)N1CCc2ccccc2C1c1ccccc1,RXZMMZZRUPYENV-UHFFFAOYSA-N,solifenacin ep impurity f succinate,23154427.0,480.226036744,3.8007000000000017,107.37999999999998
+PACLITAXEL,CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C,1.0545,Inactive,76657392,CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C,RCINICONZNJXQF-UHFFFAOYSA-N,7-epi paclitaxel,4666.0,853.3309553119999,3.735700000000003,221.29
+SISOMICIN SULFATE,CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2O)OCC1(C)O.O=S(=O)(O)O,1.1784,Inactive,76833490,CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2O)OCC1(C)O.O=S(=O)(O)O,JVTNJDPXUPRGIE-UHFFFAOYSA-N,sisomicin; sulfuric acid,5458403.0,545.2366780679998,-4.5043,288.32
+CLOMIPRAMINE HYDROCHLORIDE,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl,0.87512,Inactive,76885418,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl,WIMWMKZEIBHDTH-UHFFFAOYSA-N,clomipramine hydrochloride,68539.0,350.131654128,4.950200000000005,6.48
+CLOFIBRIC ACID,CC(C)(Oc1ccc(Cl)cc1)C(=O)O,0.99282,Inactive,77171639,CC(C)(Oc1ccc(Cl)cc1)C(=O)O,TXCGAZHTZHNUAI-UHFFFAOYSA-N,clofibric acid,2797.0,214.039671892,2.582,46.53
+SEVOFLURANE,FCOC(C(F)(F)F)C(F)(F)F,1.1958,Inactive,77203649,FCOC(C(F)(F)F)C(F)(F)F,DFEYYRMXOJXZRJ-UHFFFAOYSA-N,sevoflurane,5206.0,200.007212256,2.4232000000000005,9.23
+PICONOL,OCc1ccccn1,1.0118,Inactive,77213960,OCc1ccccn1,SHNUBALDGXWUJI-UHFFFAOYSA-N,piconol,11474.0,109.052763844,0.5739,33.120000000000005
+MEVASTATIN,CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21,1.14895,Inactive,77430739,CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21,AJLFOPYRIVGYMJ-UHFFFAOYSA-N,"8-[2-(4-hydroxy-6-oxotetrahydro-2h-pyran-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate",2854.0,390.2406241879999,3.949500000000003,72.83
+CLOXYQUIN,Oc1ccc(Cl)c2cccnc12,0.42104,Inactive,77595738,Oc1ccc(Cl)c2cccnc12,CTQMJYWDVABFRZ-UHFFFAOYSA-N,cloxyquin,2817.0,179.013791492,2.5938000000000008,33.120000000000005
+ENTACAPONE,CCN(CC)C(=O)C(C#N)=Cc1cc(O)c(O)c([N+](=O)[O-])c1,1.10365,Inactive,77687447,CCN(CC)C(=O)C(C#N)=Cc1cc(O)c(O)c([N+](=O)[O-])c1,JRURYQJSLYLRLN-UHFFFAOYSA-N,"2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-n,n-diethylprop-2-enamide",4659568.0,305.10117058,1.7813800000000002,127.70000000000002
+EUPHOL,CC(C)=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3,0.91795,Inactive,77947939,CC(C)=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3,CAHGCLMLTWQZNJ-UHFFFAOYSA-N,"lanosta-8,24-dien-3-ol",856.0,426.38616622,8.479100000000006,20.23
+BERBAMINE HYDROCHLORIDE,COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1cccc(c1)Oc1ccc(c(O)c1)CC3N(C)CC2)N(C)CC4.Cl.Cl,1.03435,Inactive,77983255,COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1cccc(c1)Oc1ccc(c(O)c1)CC3N(C)CC2)N(C)CC4.Cl.Cl,SNFZOWCOEANLMI-UHFFFAOYSA-N,"20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3,5,8,10,12(34),18,20,22(33),24,26,31,35-dodecaen-4-ol;dihydrochloride",16757769.0,680.241992424,7.703000000000008,72.86
+MEMANTINE HYDROCHLORIDE,CC12CC3CC(C)(C1)CC(N)(C3)C2.Cl,0.99904,Inactive,78038876,CC12CC3CC(C)(C1)CC(N)(C3)C2.Cl,LDDHMLJTFXJGPI-UHFFFAOYSA-N,memantine hydrochloride,181458.0,215.144077384,3.115900000000001,26.02
+RETINOL,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO,0.99346,Inactive,78219992,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO,FPIPGXGPPPQFEQ-UHFFFAOYSA-N,9-cis retinol,1071.0,286.22966558,5.510300000000006,20.23
+BILIRUBIN,C=CC1=C(C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O,1.0944,Inactive,78362017,C=CC1=C(C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O,BPYKTIZUTYGOLE-UHFFFAOYSA-N,3-(2-{[3-(2-carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxo-1h-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-2-yl]methyl}-5-[(4-ethenyl-3-methyl-5-oxo-1h-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl)propanoic acid,250.0,584.2634848719999,4.531240000000002,164.38
+"5alpha-ANDROSTAN-3,17-DIONE",CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O,0.86197,Inactive,78651257,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O,RAJWOBJTTGJROA-UHFFFAOYSA-N,"androstane-3,17-dione, (5alpha)-",443.0,288.208930136,4.167300000000004,34.14
+THIMEROSAL,CC[Hg]Sc1ccccc1C(=O)[O-].[Na+],0.048444,Active,78757810,CC[Hg]Sc1ccccc1C(=O)[O-].[Na+],RTKIYNMVFMVABJ-UHFFFAOYSA-L,cid 5908,5908.0,405.992737808,-1.4181,40.13
+PROFLAVINE HEMISULFATE,Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O,0.476895,Inactive,79040337,Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O,WSFHCKWLECYVBS-UHFFFAOYSA-N,proflavine sulfate,11111.0,307.062676896,1.8996,139.53
+SULFAPYRIDINE,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,0.964625,Inactive,79289859,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,GECHUMIMRBOMGK-UHFFFAOYSA-N,sulfapyridine,5336.0,249.057197592,1.4646,85.08
+PRAVASTATIN SODIUM,CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)[O-])C21.[Na+],0.89343,Inactive,79392509,CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)[O-])C21.[Na+],VWBQYTRBTXKKOG-UHFFFAOYSA-M,"6-epi pravastatin, sodium salt",4115027.0,446.2280477399999,-1.8902999999999948,127.12
+EMICYMARIN,COC1C(O)C(C)OC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C1O,0.943355,Inactive,79700995,COC1C(O)C(C)OC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C1O,MABTYQWWFMMYTE-UHFFFAOYSA-N,emicymarin,554133.0,550.3141830519999,2.225099999999999,134.91000000000005
+OCTINOXATE,CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1,0.94793,Inactive,79764696,CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1,YBGZDTIWKVFICR-UHFFFAOYSA-N,2-ethylhexyl 4-methoxycinnamate,21630.0,290.188194692,4.468000000000004,35.53
+IMIDACLOPRID,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1,1.2167,Inactive,79773026,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1,YWTYJOPNNQFBPC-UHFFFAOYSA-N,"n-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide",86418.0,255.05230224,0.6879,83.66
+INAMRINONE,Nc1cc(-c2ccncc2)c[nH]c1=O,1.002,Inactive,79852283,Nc1cc(-c2ccncc2)c[nH]c1=O,RNLQIBCLLYYYFJ-UHFFFAOYSA-N,amrinone,3698.0,187.074561908,1.0191,71.77
+DJENKOLIC ACID,NC(CSCSCC(N)C(=O)O)C(=O)O,0.91738,Inactive,80060569,NC(CSCSCC(N)C(=O)O)C(=O)O,JMQMNWIBUCGUDO-UHFFFAOYSA-N,"3,3'-methylenedithiobis(2-aminopropanoic acid)",253305.0,254.039498928,-0.7658999999999989,126.64
+NIFLUMIC ACID,O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1,0.977995,Inactive,80143273,O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1,JZFPYUNJRRFVQU-UHFFFAOYSA-N,niflumic acid,4488.0,282.061612188,3.542200000000001,62.22
+ISONIAZID,NNC(=O)c1ccncc1,1.04188,Inactive,80513532,NNC(=O)c1ccncc1,QRXWMOHMRWLFEY-UHFFFAOYSA-N,isoniazid,3767.0,137.058911844,-0.3149000000000006,68.00999999999999
+ONDANSETRON HYDROCHLORIDE,Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl,0.97962,Inactive,80530534,Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl,MKBLHFILKIKSQM-UHFFFAOYSA-N,ondansetron hydrochloride,68647.0,329.12948994,3.5503200000000037,39.82
+SOTALOL HYDROCHLORIDE,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.Cl,0.926725,Inactive,80531788,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.Cl,VIDRYROWYFWGSY-UHFFFAOYSA-N,sotalol hydrochloride,66245.0,308.096141212,1.5113,78.43
+ACTINOQUINOL SODIUM,CCOc1ccc(S(=O)(=O)[O-])c2cccnc12.[Na+],1.0952,Inactive,80657953,CCOc1ccc(S(=O)(=O)[O-])c2cccnc12.[Na+],KGBPIIYKHSGTAJ-UHFFFAOYSA-M,actinoquinol sodium,23675748.0,275.02282308,-1.4583999999999997,79.32000000000001
+PHYSCION,COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O,0.981775,Inactive,80763952,COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O,FFWOKTFYGVYKIR-UHFFFAOYSA-N,physcione,10639.0,284.068473484,2.1902200000000005,83.83000000000001
+XYLOMETAZOLINE HYDROCHLORIDE,Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.Cl,1.03525,Inactive,80897472,Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.Cl,YGWFCQYETHJKNX-UHFFFAOYSA-N,"2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1h-imidazol-1-ium;chloride",14634.0,280.17062648,3.566940000000003,24.39
+DIFLOXACIN HYDROCHLORIDE,CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1.Cl,0.0477045,Active,80961675,CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1.Cl,JFMGBGLSDVIOHL-UHFFFAOYSA-N,difloxacin hydrochloride,56205.0,435.11612562,3.140700000000002,65.78
+GALLIC ACID,O=C(O)c1cc(O)c(O)c(O)c1,1.1179,Inactive,81261438,O=C(O)c1cc(O)c(O)c(O)c1,LNTHITQWFMADLM-UHFFFAOYSA-N,gallic acid,370.0,170.021523292,0.5015999999999998,97.99
+SEROTONIN HYDROCHLORIDE,Cl.NCCc1c[nH]c2ccc(O)cc12,0.880305,Inactive,81265237,Cl.NCCc1c[nH]c2ccc(O)cc12,MDIGAZPGKJFIAH-UHFFFAOYSA-N,serotonin hydrochloride,160436.0,212.071640716,1.7965,62.040000000000006
+SULFAGUANIDINE,N=C(N)NS(=O)(=O)c1ccc(N)cc1,0.8666,Inactive,81286572,N=C(N)NS(=O)(=O)c1ccc(N)cc1,BRBKOPJOKNSWSG-UHFFFAOYSA-N,sulfaguanidine,5324.0,214.05244656,-0.5594299999999999,122.06
+HYDROXYUREA,NC(=O)NO,1.0733,Inactive,81663603,NC(=O)NO,VSNHCAURESNICA-UHFFFAOYSA-N,hydroxyurea,3657.0,76.027277368,-0.9561000000000002,75.35000000000001
+MUPIROCIN,CC(=CC(=O)OCCCCCCCCC(=O)O)CC1OCC(CC2OC2C(C)C(C)O)C(O)C1O,0.5259,Inactive,81695424,CC(=CC(=O)OCCCCCCCCC(=O)O)CC1OCC(CC2OC2C(C)C(C)O)C(O)C1O,MINDHVHHQZYEEK-UHFFFAOYSA-N,"9-{[4-(3,4-dihydroxy-5-{[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl}oxan-2-yl)-3-methylbut-2-enoyl]oxy}nonanoic acid",4264.0,500.2985329879999,2.5925000000000016,146.05
+ROSIGLITAZONE MALEATE,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)C=CC(=O)O,0.921075,Inactive,81740774,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)C=CC(=O)O,SUFUKZSWUHZXAV-UHFFFAOYSA-N,"5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione; but-2-enedioic acid",77998.0,473.125671076,2.2027,146.13
+ABRINE (L),CNC(Cc1c[nH]c2ccccc12)C(=O)O,1.07005,Inactive,82115822,CNC(Cc1c[nH]c2ccccc12)C(=O)O,CZCIKBSVHDNIDH-UHFFFAOYSA-N,3-(1h-indol-3-yl)-2-(methylamino)propanoic acid,914.0,218.105527688,1.383,65.12
+GENTAMICIN SULFATE,CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1.O=S(=O)(O)O,0.78634,Inactive,82472383,CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1.O=S(=O)(O)O,NWQISSNHRDDWRM-UHFFFAOYSA-N,garamycin solution,44134730.0,575.2836282599999,-3.980299999999999,274.3299999999999
+COLCHICINE,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,1.008575,Inactive,82748312,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,IAKHMKGGTNLKSZ-UHFFFAOYSA-N,"n-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide",2833.0,399.16818752,2.871600000000001,83.09
+KITASAMYCINS [A1 shown],COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O,0.38518,Inactive,82781728,COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O,IEMDOFXTVAPVLX-UHFFFAOYSA-N,"6-[(6-{[4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoate",3835.0,785.456155824,2.4426000000000045,199.98
+CANDESARTAN,CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,1.0332,Inactive,82811713,CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,HTQMVQVXFRQIKW-UHFFFAOYSA-N,candesartan,2541.0,440.1596885000001,4.028600000000002,118.81
+HEMATEIN,O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O,1.10255,Inactive,83001779,O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O,HLUCICHZHWJHLL-UHFFFAOYSA-N,,,300.063388104,1.3295999999999997,107.22
+DRONEDARONE HYDROCHLORIDE,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.Cl,1.1345,Inactive,83008847,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.Cl,DWKVCQXJYURSIQ-UHFFFAOYSA-N,dronedarone hydrochloride,219025.0,592.27377122,7.470800000000009,88.85
+TACRINE HYDROCHLORIDE,Cl.Nc1c2c(nc3ccccc13)CCCC2,0.910695,Inactive,83013774,Cl.Nc1c2c(nc3ccccc13)CCCC2,ZUFVXZVXEJHHBN-UHFFFAOYSA-N,tacrine hydrochloride,2723754.0,234.09237616,3.1176000000000013,38.91
+PREDNISOLONE SODIUM PHOSPHATE,CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],1.07455,Inactive,83302401,CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],VJZLQIPZNBPASX-UHFFFAOYSA-L,"pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, disodium salt, (11beta)-",31311.0,484.1238930139999,-5.581399999999994,147.02
+BENZOYLPAS,O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1,1.00892,Inactive,83331957,O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1,GNZCRYWFWKFIDM-UHFFFAOYSA-N,benzoylpas,10718.0,257.068807832,2.3427,86.63000000000001
+BERBERINE CHLORIDE,COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-],1.0591,Inactive,83386829,COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-],VKJGBAJNNALVAV-UHFFFAOYSA-M,berberine chloride,12456.0,371.0924357359999,0.1002999999999998,40.8
+NATAMYCIN,CC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O,1.13945,Inactive,83588148,CC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O,NCXMLFZGDNKEPB-UHFFFAOYSA-N,"22-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid",4283516.0,665.3047405639999,0.1197000000000032,230.98999999999995
+HYDROCORTISONE ACETATE,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C,1.007815,Inactive,83611998,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C,ALEXXDVDDISNDU-UHFFFAOYSA-N,"11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate",3641.0,404.219888744,2.3524000000000003,100.90000000000002
+TETRAHYDROZOLINE HYDROCHLORIDE,Cl.c1ccc2c(c1)CCCC2C1=NCCN1,1.03235,Inactive,83741309,Cl.c1ccc2c(c1)CCCC2C1=NCCN1,BJORNXNYWNIWEY-UHFFFAOYSA-N,tetrahydrozoline hydrochloride,10648.0,236.108026224,2.53,24.39
+GLAUCONIC ACID,CCC1C=C2C(=O)OC(=O)C2CC2=C(C(=O)OC2=O)C(O)C1CC,0.96038,Inactive,83841581,CCC1C=C2C(=O)OC(=O)C2CC2=C(C(=O)OC2=O)C(O)C1CC,YGHXGBVMWGXADG-UHFFFAOYSA-N,"9,10-diethyl-11-hydroxy-5,14-dioxatricyclo[10.3.0.03,7]pentadeca-1(12),7-diene-4,6,13,15-tetrone",168313577.0,334.105252916,0.8093999999999995,106.97
+HARMALOL,CC1=NCCC2c3ccc(O)cc3NC12,1.0672,Inactive,83882679,CC1=NCCC2c3ccc(O)cc3NC12,ZROHARDJZUDICW-UHFFFAOYSA-N,"1-methyl-4,4a,9,9a-tetrahydro-3h-pyrido[3,4-b]indol-7-ol",73440808.0,202.110613068,2.1345,44.620000000000005
+PENICILLIN G POTASSIUM,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)[O-].[K+],0.576135,Inactive,83888275,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)[O-].[K+],IYNDLOXRXUOGIU-UHFFFAOYSA-M,"penicillin g, potassium salt",517573.0,372.054609704,-3.4698999999999973,89.54
+RESORCINOL MONOACETATE,CC(=O)Oc1cccc(O)c1,1.0273,Inactive,83889405,CC(=O)Oc1cccc(O)c1,ZZPKZRHERLGEKA-UHFFFAOYSA-N,resorcinol monoacetate,5055.0,152.047344116,1.3175,46.53
+BENZBROMARONE,CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,1.02841,Inactive,84001971,CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,WHQCHUCQKNIQEC-UHFFFAOYSA-N,benzbromarone,2333.0,421.9153184439999,5.456800000000003,50.44
+QUETIAPINE FUMARATE,O=C(O)C=CC(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,0.300125,Inactive,84032448,O=C(O)C=CC(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,VRHJBWUIWQOFLF-UHFFFAOYSA-N,butenedioic acid; quetiapine,66587050.0,499.177706648,2.567800000000002,122.9
+"7,8-DIMETHOXYFLAVONE",COc1ccc2c(=O)cc(-c3ccccc3)oc2c1OC,0.902045,Inactive,84043398,COc1ccc2c(=O)cc(-c3ccccc3)oc2c1OC,KJRQQECDVUXBCO-UHFFFAOYSA-N,"7,8-dimethoxyflavone",689014.0,282.089208928,3.4772000000000025,48.67
+ANASTROZOLE,CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,1.0059,Inactive,84192884,CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,YBBLVLTVTVSKRW-UHFFFAOYSA-N,anastrozole,2187.0,293.16404560800004,2.9287600000000014,78.28999999999999
+BAMBUTEROL HYDROCHLORIDE,CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1.Cl,1.10275,Inactive,84808760,CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1.Cl,LBARATORRVNNQM-UHFFFAOYSA-N,bambuterol hydrochloride,54765.0,403.18739874,2.650700000000001,91.34
+ACETYLCYSTEINE,CC(=O)NC(CS)C(=O)O,1.09485,Inactive,84907684,CC(=O)NC(CS)C(=O)O,PWKSKIMOESPYIA-UHFFFAOYSA-N,n-acetyl-dl-cysteine,581.0,163.030314148,-0.4945,66.4
+3-DEACETYLKHIVORIN,CC(=O)OC1CC(O)C(C)(C)C2CC(OC(C)=O)C3(C)C(CCC4(C)C(c5ccoc5)OC(=O)C5OC543)C12C,1.0606,Inactive,85009930,CC(=O)OC1CC(O)C(C)(C)C2CC(OC(C)=O)C3(C)C(CCC4(C)C(c5ccoc5)OC(=O)C5OC543)C12C,PDKGFQJSCXMICA-UHFFFAOYSA-N,"[13-acetyloxy-7-(furan-3-yl)-15-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-19-yl] acetate",4404374.0,544.2672328599999,4.118100000000004,124.8
+ATROPINE SULFATE,CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=S(=O)(O)O,1.1956,Inactive,85141085,CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=S(=O)(O)O,VJFQPODMEGSXHC-UHFFFAOYSA-N,atropine sulphate,17184.0,387.13517314,1.2780999999999998,124.37
+AMINOPTERIN,Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1,0.991855,Inactive,85166719,Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1,TVZGACDUOSZQKY-UHFFFAOYSA-N,4-aminopteroylglutamic acid,2154.0,440.1556657399999,0.2440999999999998,219.32999999999996
+LEFLUNOMIDE,Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,0.95521,Inactive,85283355,Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,VHOGYURTWQBHIL-UHFFFAOYSA-N,leflunomide,3899.0,270.061612188,3.254120000000001,55.13
+DAPAGLIFLOZIN,CCOc1ccc(Cc2cc(C3OC(CO)C(O)C(O)C3O)ccc2Cl)cc1,0.905945,Inactive,85286348,CCOc1ccc(Cc2cc(C3OC(CO)C(O)C(O)C3O)ccc2Cl)cc1,JVHXJTBJCFBINQ-UHFFFAOYSA-N,dapagliflozin impurity 30,23560495.0,408.1339662,1.8444,99.38
+DOXORUBICIN,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1,1.016225,Inactive,85367704,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1,AOJJSUZBOXZQNB-UHFFFAOYSA-N,"7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione",1691.0,543.1740607479999,0.0012999999999993,206.07
+CAFFEINE,Cn1c(=O)c2c(ncn2C)n(C)c1=O,0.88504,Inactive,85860394,Cn1c(=O)c2c(ncn2C)n(C)c1=O,RYYVLZVUVIJVGH-UHFFFAOYSA-N,caffeine,2519.0,194.08037556,-1.0293,61.82
+CANRENONE,CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC21CCC(=O)O1,1.18395,Inactive,86031729,CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC21CCC(=O)O1,UJVLDDZCTMKXJK-UHFFFAOYSA-N,"10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione",319260.0,340.203844756,4.370100000000003,43.370000000000005
+MONENSIN SODIUM,CCC1(C2OC(C3OC(O)(CO)C(C)CC3C)CC2C)CCC(C2(C)CCC3(CC(O)C(C)C(C(C)C(OC)C(C)C(=O)[O-])O3)O2)O1.[Na+],0.97272,Inactive,86163801,CCC1(C2OC(C3OC(O)(CO)C(C)CC3C)CC2C)CCC(C2(C)CCC3(CC(O)C(C)C(C(C)C(OC)C(C)C(=O)[O-])O3)O2)O1.[Na+],XOIQMTLWECTKJL-UHFFFAOYSA-M,"monensin, monosodium salt",16760571.0,692.4111570520001,-0.0577999999999914,156.2
+NEFIRACETAM,Cc1cccc(C)c1NC(=O)CN1CCCC1=O,1.019435,Inactive,86165189,Cc1cccc(C)c1NC(=O)CN1CCCC1=O,NGHTXZCKLWZPGK-UHFFFAOYSA-N,nefiracetam,71157.0,246.136827816,1.86434,49.41
+AMIODARONE HYDROCHLORIDE,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl,0.919235,Inactive,86478974,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl,ITPDYQOUSLNIHG-UHFFFAOYSA-N,"2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl-diethylazanium;chloride",29770.0,681.0003675000002,7.358000000000007,42.68
+TOPOTECAN HYDROCHLORIDE,CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl,1.0943,Inactive,86507309,CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl,DGHHQBMTXTWTJV-UHFFFAOYSA-N,"8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-13-aza-3-azoniapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;chloride",5459070.0,457.140448548,2.2686000000000006,104.89
+TETRABENAZINE ,COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2,0.989435,Inactive,86731351,COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2,MKJIEFSOBYUXJB-UHFFFAOYSA-N,tetrabenazine,6018.0,317.199093724,3.238100000000002,38.77
+COTARNINE CHLORIDE,COc1c2c(cc3c1OCO3)CC[N+](C)=C2.[Cl-],1.01105,Inactive,86812665,COc1c2c(cc3c1OCO3)CC[N+](C)=C2.[Cl-],BWQAGVANIBSWBW-UHFFFAOYSA-M,cotarnine chloride,160908.0,255.066220988,-1.9547999999999968,30.700000000000003
+ANTIMONY POTASSIUM TARTRATE TRIHYDRATE,O.O.O.O=C([O-])C1O[Sb]2OC(=O)C(O2)C(C(=O)[O-])O[Sb]2OC(=O)C1O2.[K+].[K+],0.65067,Inactive,87117912,O.O.O.O=C([O-])C1O[Sb]2OC(=O)C(O2)C(C(=O)[O-])O[Sb]2OC(=O)C1O2.[K+].[K+],WBTCZEPSIIFINA-UHFFFAOYSA-J,"dipotassium 5,11-dioxo-2,6,8,12,13,14-hexaoxa-1,7-distibatricyclo[8.2.1.1~4,7~]tetradecane-3,9-dicarboxylate trihydrate",16682736.0,665.73701438,-14.3421,264.2799999999999
+TIOCONAZOLE,Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1,0.917425,Inactive,87171484,Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1,QXHHHPZILQDDPS-UHFFFAOYSA-N,tioconazole,5482.0,385.981417076,5.8629000000000016,27.05
+METHYL 6-HYDROXYANGOLENSATE,C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(=O)C(C)(C)C(C(O)C(=O)OC)C12C,1.13755,Inactive,87455440,C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(=O)C(C)(C)C(C(O)C(=O)OC)C12C,GOYZKWCPWBKPIG-UHFFFAOYSA-N,cid 3978635,3978635.0,486.2253680479999,3.533100000000002,112.27000000000002
+POLYMYXIN B SULFATE,CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O.O=S(=O)(O)O,0.041916,Active,87493465,CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O.O=S(=O)(O)O,HFMDLUQUEXNBOP-UHFFFAOYSA-N,aerosporin,5702105.0,1300.7173067399997,-5.897600000000003,565.2599999999999
+THIODIGLYCOL,OCCSCCO,0.91528,Inactive,87539212,OCCSCCO,YODZTKMDCQEPHD-UHFFFAOYSA-N,thiodiglycol,5447.0,122.04015056,-0.2958,40.46
+TIOPRONIN,CC(S)C(=O)NCC(=O)O,0.905885,Inactive,87589561,CC(S)C(=O)NCC(=O)O,YTGJWQPHMWSCST-UHFFFAOYSA-N,tiopronin,5483.0,163.030314148,-0.4945000000000004,66.4
+METHYL DEOXYCHOLATE,COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,1.00515,Inactive,87590242,COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,ZHUOOEGSSFNTNP-UHFFFAOYSA-N,"methyl 3,12-dihydroxycholan-24-oate",95608.0,406.30830982399993,4.566300000000005,66.76
+ADEFOVIR DIPIVOXYL,CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C,1.14685,Inactive,87706180,CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C,WOZSCQDILHKSGG-UHFFFAOYSA-N,adefovir dipivoxil,60871.0,501.198849614,2.702500000000001,166.97999999999996
+FENOLDOPAM MESYLATE,CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,0.95754,Inactive,87741486,CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,CVKUMNRCIJMVAR-UHFFFAOYSA-N,fenoldopam mesylate,49659.0,401.06998604,2.2384000000000013,127.09000000000002
+SINOMENINE,COC1=CC2C3Cc4ccc(OC)c(O)c4C2(CCN3C)CC1=O,1.050785,Inactive,87816382,COC1=CC2C3Cc4ccc(OC)c(O)c4C2(CCN3C)CC1=O,INYYVPJSBIVGPH-UHFFFAOYSA-N,"4-hydroxy-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one",416119.0,329.162708216,2.0181,59.0
+TEMOZOLOMIDE,Cn1nnc2c(C(N)=O)ncn2c1=O,1.06395,Inactive,87863502,Cn1nnc2c(C(N)=O)ncn2c1=O,BPEGJWRSRHCHSN-UHFFFAOYSA-N,temozolomide,5394.0,194.055223432,-2.078099999999999,108.17000000000002
+ESCULIN MONOHYDRATE,O.O=c1ccc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2o1,1.073075,Inactive,87904899,O.O=c1ccc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2o1,CQYPGSKIFJFVDQ-UHFFFAOYSA-N,"7-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;hydrate",44134702.0,358.089996776,-2.1474,181.32
+VOGLIBOSE,OCC(CO)NC1CC(O)(CO)C(O)C(O)C1O,1.05097,Inactive,88154594,OCC(CO)NC1CC(O)(CO)C(O)C(O)C1O,FZNCGRZWXLXZSZ-UHFFFAOYSA-N,"5-(1,3-dihydroxypropan-2-ylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol",5677.0,267.13180201200004,-4.492399999999994,153.64
+EPIESTRIOL,CC12CCC3c4ccc(O)cc4CCC3C1CC(O)C2O,1.06535,Inactive,88218771,CC12CCC3c4ccc(O)cc4CCC3C1CC(O)C2O,PROQIPRRNZUXQM-UHFFFAOYSA-N,"estra-1(10),2,4-triene-3,16,17-triol",3269.0,288.172544628,2.5800000000000005,60.69
+HEXESTROL,CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1,0.715915,Inactive,88234565,CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1,PBBGSZCBWVPOOL-UHFFFAOYSA-N,dihydrodiethylstilbestrol,3606.0,270.161979944,4.785200000000004,40.46
+NONOXYNOL-9,CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1,0.99581,Inactive,88383989,CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1,FBWNMEQMRUMQSO-UHFFFAOYSA-N,nonaethylene glycol nonylphenyl ether,72385.0,616.4186481199998,4.483600000000006,103.30000000000004
+ACETYL-DIHYDRO-7-EPIKHIVORIN,CC(=O)OC1CC2CC(OC(C)=O)C3(C)C(CCC4(C)C(c5ccoc5)OC(OC(C)=O)C5OC543)C2(C)C(OC(C)=O)C1,1.0894,Inactive,88384311,CC(=O)OC1CC2CC(OC(C)=O)C3(C)C(CCC4(C)C(c5ccoc5)OC(OC(C)=O)C5OC543)C2(C)C(OC(C)=O)C1,XHERMGQOIKLUHI-UHFFFAOYSA-N,acetyl-dihydro-7-epikhivorin,168314095.0,602.2727121639999,4.415400000000004,140.10000000000002
+ISOTRETINON,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O,0.950155,Inactive,88420793,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O,SHGAZHPCJJPHSC-UHFFFAOYSA-N,"3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid",5538.0,300.208930136,5.602600000000005,37.3
+TRICHLOROETHYLENE,ClC=C(Cl)Cl,1.1251,Inactive,88423857,ClC=C(Cl)Cl,XSTXAVWGXDQKEL-UHFFFAOYSA-N,trichloroethylene,6575.0,129.914383072,2.5017000000000005,0.0
+DISULFIRAM,CCN(CC)C(=S)SSC(=S)N(CC)CC,0.41174,Inactive,88557186,CCN(CC)C(=S)SSC(=S)N(CC)CC,AUZONCFQVSMFAP-UHFFFAOYSA-N,disulfiram,3117.0,296.05093264,3.621200000000002,6.48
+THIOCTIC ACID,O=C(O)CCCCC1CCSS1,1.1069,Inactive,88577829,O=C(O)CCCCC1CCSS1,AGBQKNBQESQNJD-UHFFFAOYSA-N,thioctic acid,864.0,206.043521688,2.7851000000000017,37.3
+DIOXYBENZONE,COc1ccc(C(=O)c2ccccc2O)c(O)c1,0.931725,Inactive,88796543,COc1ccc(C(=O)c2ccccc2O)c(O)c1,MEZZCSHVIGVWFI-UHFFFAOYSA-N,"2,2'-dihydroxy-4-methoxybenzophenone",8569.0,244.073558864,2.337400000000001,66.76
+ETHAMIVAN,CCN(CC)C(=O)c1ccc(O)c(OC)c1,1.11545,Inactive,88959874,CCN(CC)C(=O)c1ccc(O)c(OC)c1,BQJODPIMMWWMFC-UHFFFAOYSA-N,ethamivan,9363.0,223.120843404,1.8828,49.77000000000001
+AURAPTENE,CC(C)=CCCC(C)=CCOc1ccc2ccc(=O)oc2c1,0.88606,Inactive,89017904,CC(C)=CCCC(C)=CCOc1ccc2ccc(=O)oc2c1,RSDDHGSKLOSQFK-UHFFFAOYSA-N,"2h-1-benzopyran-2-one, 7-[[(2e)-3,7-dimethyl-2,6-octadienyl]oxy]-",400073.0,298.156894564,4.864500000000005,39.44
+"2-METHOXY-4,5-METHYLENEDIOXYBENZALDEHYDE",COc1cc2c(cc1C=O)OCO2,0.98889,Inactive,89094709,COc1cc2c(cc1C=O)OCO2,NCIYDDIPUGCVKX-UHFFFAOYSA-N,"1,3-benzodioxole-5-carboxaldehyde, 6-methoxy-",601861.0,180.042258736,1.2363999999999995,44.760000000000005
+EMETINE DIHYDROCHLORIDE,CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(OC)c(OC)cc21.Cl.Cl,1.18795,Inactive,89240197,CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(OC)c(OC)cc21.Cl.Cl,JROGBPMEKVAPEH-UHFFFAOYSA-N,"2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-4,6,7,11b-tetrahydro-1h-pyrido[2,1-a]isoquinoline",9425.0,552.252163184,5.787000000000008,52.19000000000001
+BRAZILIN,Oc1ccc2c(c1)OCC1(O)Cc3cc(O)c(O)cc3C21,1.11105,Inactive,89264815,Oc1ccc2c(c1)OCC1(O)Cc3cc(O)c(O)cc3C21,UWHUTZOCTZJUKC-UHFFFAOYSA-N,brasilin,222515.0,286.08412354800004,1.6148999999999996,90.15
+alpha-TOXICAROL (dl),COc1cc2c(cc1OC)C1C(=O)c3c(O)cc4c(c3OC1CO2)C=CC(C)(C)O4,1.07985,Inactive,89267140,COc1cc2c(cc1OC)C1C(=O)c3c(O)cc4c(c3OC1CO2)C=CC(C)(C)O4,JLTNCZQNGBLBGO-UHFFFAOYSA-N,"6-hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3h,7ah-pyrano[2,3-c:6,5-f']dichromen-7-one",243723.0,410.1365530439999,3.7135000000000025,83.45000000000002
+ETHENZAMIDE,CCOc1ccccc1C(N)=O,0.926305,Inactive,89294589,CCOc1ccccc1C(N)=O,SBNKFTQSBPKMBZ-UHFFFAOYSA-N,ethenzamide,3282.0,165.078978592,1.1842,52.32
+PAEONOL,COc1ccc(C(C)=O)c(O)c1,0.860815,Inactive,89425968,COc1ccc(C(C)=O)c(O)c1,UILPJVPSNHJFIK-UHFFFAOYSA-N,paeonol,11092.0,166.06299418,1.6034,46.53
+PIPEMIDIC ACID,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,0.0500505,Active,89463693,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,JOHZPMXAZQZXHR-UHFFFAOYSA-N,pipemidic acid,4831.0,303.133139404,-0.0807999999999999,100.35
+PIRIBEDIL HYDROCHLORIDE,c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1,0.989835,Inactive,89467422,c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1,OQDPVLVUJFGPGQ-UHFFFAOYSA-N,piribedil,4850.0,298.142975816,1.5275,50.720000000000006
+"DEOXYSAPPANONE B 7,3'-DIMETHYL ETHER",COc1ccc2c(c1)OCC(Cc1ccc(O)c(OC)c1)C2=O,1.0464,Inactive,89474911,COc1ccc2c(c1)OCC(Cc1ccc(O)c(OC)c1)C2=O,OFAYBXSZQCUARK-UHFFFAOYSA-N,"deoxysappanone b 7,3'-dimethyl ether",16667741.0,314.115423676,2.843400000000001,64.99000000000001
+LAPACHOL METHYL ETHER,COC1=C(CC=C(C)C)C(=O)c2ccccc2C1=O,0.90809,Inactive,89554941,COC1=C(CC=C(C)C)C(=O)c2ccccc2C1=O,NHTTYMNGELRKMP-UHFFFAOYSA-N,"1,4-naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)-",96950.0,256.10994437200003,3.322400000000002,43.370000000000005
+TIZANIDINE HYDROCHLORIDE,Cl.Clc1ccc2nsnc2c1NC1=NCCN1,0.951675,Inactive,89646680,Cl.Clc1ccc2nsnc2c1NC1=NCCN1,ZWUKMNZJRDGCTQ-UHFFFAOYSA-N,tizanidine hydrochloride,114869.0,288.99557164800007,2.1376,62.2
+CILOSTAZOL,O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,1.1878,Inactive,89656318,O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,RRGUKTPIGVIEKM-UHFFFAOYSA-N,cilostazol,2754.0,369.216475104,3.464700000000001,81.93
+BUPROPION,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl,0.97647,Inactive,89706481,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl,HEYVINCGKDONRU-UHFFFAOYSA-N,bupropion hydrochloride,62884.0,275.084369588,3.721100000000003,29.1
+SCOPOLAMINE HYDROBROMIDE,Br.CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12,0.94145,Inactive,89713857,Br.CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12,WTGQALLALWYDJH-UHFFFAOYSA-N,scopolamine-d3 hydrobromide,517999.0,383.073220284,1.496,62.3
+SULFISOXAZOLE ACETYL,CC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1,0.86589,Inactive,89765251,CC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1,UTVCPAPWORAKEV-UHFFFAOYSA-N,n(4)-acetylsulfisoxazole,160743.0,309.07832696,2.05064,101.3
+SERINE (L),NC(CO)C(=O)O,1.08095,Inactive,89891257,NC(CO)C(=O)O,MTCFGRXMJLQNBG-UHFFFAOYSA-N,dl-serine,617.0,105.042593084,-1.6093999999999995,83.55
+7-HYDROXYFLAVONE,O=c1cc(-c2ccccc2)oc2cc(O)ccc12,0.945025,Inactive,89935338,O=c1cc(-c2ccccc2)oc2cc(O)ccc12,MQGPSCMMNJKMHQ-UHFFFAOYSA-N,7-hydroxyflavone,5281894.0,238.06299418,3.1656000000000013,50.44
+OXONITINE,COCC12CN(C=O)C3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1,1.0366,Inactive,89986165,COCC12CN(C=O)C3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1,SVQZFPSKTHNMRD-UHFFFAOYSA-N,"[8-acetyloxy-11-formyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate",3382941.0,645.2785258159997,-0.2153999999999936,170.52
+PIPERONYLIC ACID,O=C(O)c1ccc2c(c1)OCO2,0.85251,Inactive,90035406,O=C(O)c1ccc2c(c1)OCO2,VDVJGIYXDVPQLP-UHFFFAOYSA-N,piperonylic acid,7196.0,166.026608672,1.1134999999999995,55.760000000000005
+MYRICETIN,O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,1.04655,Inactive,90151463,O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,IKMDFBPHZNJCSN-UHFFFAOYSA-N,myricetin,5281672.0,318.03756728,1.6935999999999998,151.59
+CONVALLATOXIN,CC1OC(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O,1.15045,Inactive,90183409,CC1OC(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O,HULMNSIAKWANQO-UHFFFAOYSA-N,"3-[(6-deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide",2862.0,550.2777975439999,0.75,162.98
+CARAPIN-8(9)-ENE,COC(=O)CC1C(C)(C)C(=O)C2CC3=C(CCC4(C)C3=CC(=O)OC4c3ccoc3)C1(C)C2=O,1.0186,Inactive,90411042,COC(=O)CC1C(C)(C)C(=O)C2CC3=C(CCC4(C)C3=CC(=O)OC4c3ccoc3)C1(C)C2=O,XLRKFSDSKCYZBE-UHFFFAOYSA-N,"methyl 2-[6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadeca-2(11),9-dien-16-yl]acetate",5133652.0,466.1991532999999,4.284100000000004,99.88
+PHTHALYLSULFATHIAZOLE,O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,1.04255,Inactive,90672563,O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,PBMSWVPMRUJMPE-UHFFFAOYSA-N,phthalylsulfathiazole,4806.0,403.029662516,2.894400000000001,125.46
+URSOCHOLANIC ACID,CC(CCC(=O)O)C1CCC2C3CCC4CCCCC4(C)C3CCC12C,1.0678,Inactive,90673190,CC(CCC(=O)O)C1CCC2C3CCC4CCCCC4(C)C3CCC12C,RPKLZQLYODPWTM-UHFFFAOYSA-N,cholen-24-oic acid,427984.0,360.30283052,6.536300000000007,37.3
+SYMCLOSENE,O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl,0.842675,Inactive,90741016,O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl,YRIZYWQGELRKNT-UHFFFAOYSA-N,symclosene,6909.0,230.9005239,-0.8226,66.0
+DIETHYLCARBAMAZINE CITRATE,CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,1.09685,Inactive,90741504,CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,PGNKBEARDDELNB-UHFFFAOYSA-N,diethylcarbamazine citrate,15432.0,391.1954648879999,-0.552899999999996,158.92000000000002
+TRIMEBUTINE MALEATE,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C.O=C(O)C=CC(=O)O,0.992635,Inactive,90883111,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C.O=C(O)C=CC(=O)O,FSRLGULMGJGKGI-UHFFFAOYSA-N,"2-(dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate",657267.0,503.215531636,3.448100000000001,131.83
+PELARGONIC ACID,CCCCCCCCC(=O)O,0.880595,Inactive,90946848,CCCCCCCCC(=O)O,FBUKVWPVBMHYJY-UHFFFAOYSA-N,nonanoic acid,8158.0,158.130679816,2.821600000000001,37.3
+SOLIDAGENONE,CC1=CC(=O)C2C(C)(C)CCCC2(C)C1(O)CCc1ccoc1,1.0332,Inactive,91032587,CC1=CC(=O)C2C(C)(C)CCCC2(C)C1(O)CCc1ccoc1,XDYGCIOWNPNVIH-UHFFFAOYSA-N,"1(4h)-naphthalenone, 4-[2-(3-furanyl)ethyl]-4a,5,6,7,8,8a-hexahydro-4-hydroxy-3,4a,8,8-tetramethyl-",298767.0,316.203844756,4.304900000000004,50.44
+ASCORBYL PALMITATE,CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O,0.882085,Inactive,91127680,CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O,QAQJMLQRFWZOBN-UHFFFAOYSA-N,6-o-palmitoylascorbic acid,54676825.0,414.2617535559999,4.624800000000002,113.29000000000002
+NIFUROXAZIDE,O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(O)cc1,0.97335,Inactive,91136660,O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(O)cc1,YCWSUKQGVSGXJO-UHFFFAOYSA-N,akabar,13764.0,275.05422038800003,1.6573,117.97
+SPHONDIN,COc1cc2ccc(=O)oc2c2ccoc12,1.04675,Inactive,91310013,COc1cc2ccc(=O)oc2c2ccoc12,DLCJNIBLOSKIQW-UHFFFAOYSA-N,sphondin,108104.0,216.042258736,2.5478000000000005,52.58
+METHYLBENZETHONIUM CHLORIDE,Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1.[Cl-],0.046349,Active,91316465,Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1.[Cl-],QWZLBLDNRUUYQI-UHFFFAOYSA-M,"benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-o-tolyl)oxy)ethoxy)ethyl)ammonium chloride",5702238.0,461.306057328,3.384820000000002,18.46
+PRAMOXINE HYDROCHLORIDE,CCCCOc1ccc(OCCCN2CCOCC2)cc1.Cl,1.05885,Inactive,91555810,CCCCOc1ccc(OCCCN2CCOCC2)cc1.Cl,SYCBXBCPLUFJID-UHFFFAOYSA-N,pramoxine hydrochloride,73957.0,329.175771436,3.388400000000003,30.930000000000003
+TRIPROLIDINE HYDROCHLORIDE,Cc1ccc(C(=CCN2CCCC2)c2ccccn2)cc1.Cl,0.877595,Inactive,91899664,Cc1ccc(C(=CCN2CCCC2)c2ccccn2)cc1.Cl,WYUYEJNGHIOFOC-UHFFFAOYSA-N,"pyridine, 2-((1e)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propen-1-yl)-, hydrochloride (1:1)",64690.0,314.154976416,4.339320000000004,16.130000000000003
+ADONITOL,OCC(O)C(O)C(O)CO,0.987015,Inactive,92019847,OCC(O)C(O)C(O)CO,HEBKCHPVOIAQTA-UHFFFAOYSA-N,xylitol,827.0,152.068473484,-2.9463000000000004,101.15
+METHYLDOPA,CC(N)(Cc1ccc(O)c(O)c1)C(=O)O,1.1062,Inactive,92022173,CC(N)(Cc1ccc(O)c(O)c1)C(=O)O,CJCSPKMFHVPWAR-UHFFFAOYSA-N,alpha-methyldopa,4138.0,211.084457896,0.4423000000000001,103.78000000000002
+FLUPHENAZINE HYDROCHLORIDE,Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,0.972675,Inactive,92173447,Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,MBHNWCYEGXQEIT-UHFFFAOYSA-N,fluphenazine hydrochloride,67356.0,509.128223536,5.151700000000005,29.950000000000003
+UTILIN,CCC(C)C(=O)OC1CC2(C)C(c3ccoc3)OC(=O)CC23OC2(C)OC34C(OC(C)=O)C3(O)C(OC(=O)C5(C)OC5C)C5(C)CC3(O)C(C)(C5CC(=O)OC)C14O2,0.745215,Inactive,92189223,CCC(C)C(=O)OC1CC2(C)C(c3ccoc3)OC(=O)CC23OC2(C)OC34C(OC(C)=O)C3(O)C(OC(=O)C5(C)OC5C)C5(C)CC3(O)C(C)(C5CC(=O)OC)C14O2,HPSILLNWMJOWNM-UHFFFAOYSA-N,"[8-acetyloxy-17-(furan-3-yl)-3,7-dihydroxy-22-(2-methoxy-2-oxoethyl)-2,5,11,18-tetramethyl-20-(2-methylbutanoyloxy)-15-oxo-10,12,16,21-tetraoxaheptacyclo[9.9.1.12,5.01,9.03,7.09,13.013,18]docosan-6-yl] 2,3-dimethyloxirane-2-carboxylate",3946675.0,816.3204502039999,2.708500000000001,225.32
+ADENOSINE 5-MONOPHOSPHATE,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,1.05115,Inactive,92249107,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,UDMBCSSLTHHNCD-UHFFFAOYSA-N,"[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",224.0,347.0630844179999,-1.8630000000000009,186.07
+CHLOROACETOXYQUINOLINE,CC(=O)Oc1ccc(Cl)c2cccnc12,0.0572295,Active,92347575,CC(=O)Oc1ccc(Cl)c2cccnc12,JSJOTZXJKCXWQC-UHFFFAOYSA-N,chloroacetoxyquinoline,2718.0,221.024356176,2.8135000000000003,39.19
+SALSOLIDINE,COc1cc2c(cc1OC)C(C)NCC2,0.98728,Inactive,92841977,COc1cc2c(cc1OC)C(C)NCC2,HMYJLVDKPJHJCF-UHFFFAOYSA-N,"6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline",10302.0,207.125928784,1.9105,30.49
+ETHACRYNIC ACID,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,1.07795,Inactive,92898166,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,AVOLMBLBETYQHX-UHFFFAOYSA-N,ethacrynic acid,3278.0,302.011264224,3.6057000000000015,63.60000000000001
+TOMATIDINE HYDROCHLORIDE,CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C.Cl,0.96381,Inactive,92939362,CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C.Cl,SXXHVPYRDFJKPG-UHFFFAOYSA-N,cid 44134974,44134974.0,451.321707392,5.788600000000008,41.49
+PERSEITOL,OCC(O)C(O)C(O)C(O)C(O)CO,1.0572,Inactive,93007621,OCC(O)C(O)C(O)C(O)C(O)CO,OXQKEKGBFMQTML-UHFFFAOYSA-N,peracitol,101748.0,212.089602852,-4.224499999999998,141.61
+FAMCICLOVIR,CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O,1.06845,Inactive,93053030,CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O,GGXKWVWZWMLJEH-UHFFFAOYSA-N,famciclovir,3324.0,321.143704088,0.5409999999999998,122.22
+CROMOLYN SODIUM,O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+],1.09155,Inactive,93108600,O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+],VLARUOGDXDTHEH-UHFFFAOYSA-L,cromolyn sodium,27503.0,512.033149828,-6.546899999999996,179.37
+NEOMYCIN TRISULFATE,NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O,1.1991,Inactive,93121534,NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O,KWBUARAINLGYMG-UHFFFAOYSA-N,fradiomycin b (sulfate); neomycin b (sulfate),44134844.0,908.2144241640004,-10.853700000000016,576.9100000000002
+LITHIUM CITRATE HYDRATE,O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+],1.17,Inactive,93199512,O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+],OSJRPECIECUBOG-UHFFFAOYSA-K,cid 16211553,16211553.0,228.062105834,-15.065300000000002,172.12
+MESTRANOL,C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C,0.88683,Inactive,93386384,C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C,IMSSROKUHAOUJS-UHFFFAOYSA-N,"17-ethynyl-3-methoxyestra-1,3,5(10)-trien-17-ol",4080.0,310.193280072,3.915600000000003,29.46
+NEVIRAPINE,Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1,1.0746,Inactive,93424520,Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1,NQDJXKOVJZTUJA-UHFFFAOYSA-N,nevirapine,4463.0,266.116761068,2.6512200000000004,58.120000000000005
+STIGMASTEROL,CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,1.1677,Inactive,93620795,CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,HCXVJBMSMIARIN-UHFFFAOYSA-N,"17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol",122544.0,412.370516156,7.8008000000000095,20.23
+ACEXAMIC ACID,CC(=O)NCCCCCC(=O)O,0.987425,Inactive,93677041,CC(=O)NCCCCCC(=O)O,WDSCBUNMANHPFH-UHFFFAOYSA-N,acexamic acid,2005.0,173.10519334,0.7674999999999998,66.4
+SUMATRIPTAN,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1,0.99276,Inactive,93950161,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1,KQKPFRSPSRPDEB-UHFFFAOYSA-N,sumatriptan,5358.0,295.135447912,1.3211999999999997,65.2
+HYDRALAZINE HYDROCHLORIDE,Cl.NNc1nncc2ccccc12,1.012275,Inactive,94041660,Cl.NNc1nncc2ccccc12,ZUXNZUWOTSUBMN-UHFFFAOYSA-N,hydralazine hydrochloride,9351.0,196.051573968,1.3372,63.83
+PROPOXYCAINE HYDROCHLORIDE,CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC.Cl,1.00006,Inactive,94152633,CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC.Cl,GITPCGSPKUQZTE-UHFFFAOYSA-N,propoxycaine hydrochloride,11078.0,330.17102040400005,2.978000000000002,64.78999999999999
+CEFAMANDOLE SODIUM,Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)C(O)c3ccccc3)C2SC1.[Na+],0.0463205,Active,94206297,Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)C(O)c3ccccc3)C2SC1.[Na+],OJMNTWPPFNMOCJ-UHFFFAOYSA-M,sodium cefamandole,23675643.0,484.059953924,-4.556299999999994,153.36999999999998
+CHLORMADINONE ACETATE,CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC21C,1.04495,Inactive,94286953,CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC21C,QMBJSIBWORFWQT-UHFFFAOYSA-N,c-quens,2714.0,404.175437088,4.751700000000005,60.440000000000005
+METOLAZONE,Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C,1.11645,Inactive,94322130,Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C,AQCHWTWZEMGIFD-UHFFFAOYSA-N,metolazone,4170.0,365.060090052,2.714120000000001,92.5
+GALANGIN 3-O-METHYL ETHER,COc1c(-c2ccccc2)oc2cc(O)cc(O)c2c1=O,0.997715,Inactive,94324636,COc1c(-c2ccccc2)oc2cc(O)cc(O)c2c1=O,LYISDADPVOHJBJ-UHFFFAOYSA-N,galangin 3-methyl ether,5281946.0,284.068473484,2.8798000000000017,79.9
+FEBUXOSTAT,Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O,0.83124,Inactive,94325157,Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O,BQSJTQLCZDPROO-UHFFFAOYSA-N,febuxostat,134018.0,316.08816337199994,3.723200000000002,83.21
+CYPROTERONE ACETATE,CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C,1.06585,Inactive,94491935,CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C,UWFYSQMTEOIJJG-UHFFFAOYSA-N,"1-acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate",2914.0,416.175437088,4.607600000000004,60.440000000000005
+HAEMATOXYLIN,Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2,0.716155,Inactive,94548560,Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2,WZUVPPKBWHMQCE-UHFFFAOYSA-N,"7,11b-dihydrobenz(b)indeno(1,2-d)pyran-3,4,6a,9,10(6h)-pentol",10603.0,302.079038168,1.3204999999999991,110.38
+DINITOLMIDE,Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-],1.006885,Inactive,94560541,Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-],ZEFNOZRLAWVAQF-UHFFFAOYSA-N,dinitolmide,3092.0,225.038570324,0.91032,129.37
+PENBUTOLOL SULFATE,CC(C)(C)NCC(O)COc1ccccc1C1CCCC1.O=S(=O)(O)O,0.86272,Inactive,94569870,CC(C)(C)NCC(O)COc1ccccc1C1CCCC1.O=S(=O)(O)O,KTXVDQNRHZQBOR-UHFFFAOYSA-N,penbutolol (sulfate),12807731.0,389.1872087119999,2.8192000000000004,116.09
+OLTIPRAZ,Cc1c(-c2cnccn2)ssc1=S,1.134,Inactive,94581216,Cc1c(-c2cnccn2)ssc1=S,CKNAQFVBEHDJQV-UHFFFAOYSA-N,oltipraz,47318.0,225.969311192,3.3045100000000014,25.78
+FlUMAZENIL,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2,1.031615,Inactive,94585381,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2,OFBIFZUFASYYRE-UHFFFAOYSA-N,flumazenil,3373.0,303.101919528,1.7736999999999998,64.43
+STREPTOZOSIN,CN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O,0.67693,Inactive,94639639,CN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O,ZSJLQEPLLKMAKR-UHFFFAOYSA-N,streptozotocin;u 9889,5300.0,265.09099982000004,-2.8909,151.92
+DICHLORISONE ACETATE,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(Cl)CC21C,1.12435,Inactive,94641786,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(Cl)CC21C,YNNURTVKPVJVEI-UHFFFAOYSA-N,"[2-(9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate",5219692.0,454.131379356,3.7363000000000026,80.67000000000002
+ONONETIN,COc1ccc(CC(=O)c2ccc(O)cc2O)cc1,0.906565,Inactive,94645383,COc1ccc(CC(=O)c2ccc(O)cc2O)cc1,XHBZOAYMBBUURD-UHFFFAOYSA-N,ononetin,259632.0,258.089208928,2.5318000000000005,66.76
+PALMATINE CHLORIDE,COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2.[Cl-],0.88656,Inactive,94762631,COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2.[Cl-],RLQYRXCUPVKSAW-UHFFFAOYSA-M,palmatine chloride,73442.0,387.123735864,0.3887999999999998,40.8
+PRULIFLOXACIN,Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1,0.0437805,Active,94790366,Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1,PWNMXPDKBYZCOO-UHFFFAOYSA-N,prulifloxacin,65947.0,461.10568458,2.639820000000001,109.13
+XYLOSE,O=CC(O)C(O)C(O)CO,1.01515,Inactive,94835746,O=CC(O)C(O)C(O)CO,PYMYPHUHKUWMLA-UHFFFAOYSA-N,(+)-xylose,854.0,150.05282342,-2.7397000000000005,97.99
+MECLOFENOXATE HYDROCHLORIDE,CN(C)CCOC(=O)COc1ccc(Cl)cc1.Cl,0.94033,Inactive,95129735,CN(C)CCOC(=O)COc1ccc(Cl)cc1.Cl,FIVHOHCAXWQPGC-UHFFFAOYSA-N,meclofenoxate hydrochloride,19379.0,293.058548764,2.2454000000000005,38.77
+BUSSEIN,COC(=O)CC1C2(C)CC34OC5(C)OC6(C7C(=C(O)C(C)C)C(=O)OC(c8ccoc8)C7(C)C(OC(C)=O)C(OC(C)=O)C6(O5)C13C)C(OC(C)=O)C4(O)C2OC(=O)C(C)C,0.87616,Inactive,95131252,COC(=O)CC1C2(C)CC34OC5(C)OC6(C7C(=C(O)C(C)C)C(=O)OC(c8ccoc8)C7(C)C(OC(C)=O)C(OC(C)=O)C6(O5)C13C)C(OC(C)=O)C4(O)C2OC(=O)C(C)C,KVAGRMDUXLYLAZ-UHFFFAOYSA-N,"[8,9,20-triacetyloxy-6-(furan-3-yl)-19-hydroxy-3-(1-hydroxy-2-methylpropylidene)-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-18-yl] 2-methylpropanoate",54679057.0,858.3310148880001,3.665600000000003,239.08999999999995
+CEFORANIDE,NCc1ccccc1CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CSC12,0.045326,Active,95241970,NCc1ccccc1CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CSC12,SLAYUXIURFNXPG-UHFFFAOYSA-N,pharmakon1600-01502423,5229712.0,519.099473392,-0.7101999999999984,193.63
+CHLORAMPHENICOL PALMITATE,CCCCCCCCCCCCCCCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc([N+](=O)[O-])cc1,0.55934,Inactive,95314802,CCCCCCCCCCCCCCCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc([N+](=O)[O-])cc1,PXKHGMGELZGJQE-UHFFFAOYSA-N,2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl hexadecanoate,10736.0,560.241992424,6.941200000000008,118.77
+ATAZANAVIR SULFATE,COC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O,0.916335,Inactive,95661578,COC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O,DQSGVVGOPRWTKI-UHFFFAOYSA-N,bms-232632 sulfate,76034172.0,802.3571275480003,3.5588000000000024,245.81999999999996
+MELOXICAM,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,1.1355,Inactive,95821763,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,ZRVUJXDFFKFLMG-UHFFFAOYSA-N,meloxicam,54677470.0,351.034747896,1.95092,99.59999999999998
+BACLOFEN HYDROCHLORIDE (+/-),Cl.NCC(CC(=O)O)c1ccc(Cl)cc1,1.031075,Inactive,96055930,Cl.NCC(CC(=O)O)c1ccc(Cl)cc1,WMNUVYYLMCMHLU-UHFFFAOYSA-N,baclofen hydrochloride,6602720.0,249.032334016,2.2788000000000004,63.32000000000001
+RHETSININE,CNc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1=O,0.95351,Inactive,96145938,CNc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1=O,RAEOYMOPVHBBKE-UHFFFAOYSA-N,rhetsinine,99652.0,319.132076784,3.048300000000001,65.2
+EPIGALLOCATECHIN-3-MONOGALLATE,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,0.801255,Inactive,96282588,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,WMBWREPUVVBILR-UHFFFAOYSA-N,"tea, ext.",1287.0,458.0849113959999,2.233199999999999,197.37
+MITRAPHYLLINE,COC(=O)C1=COC(C)C2CN3CCC4(C(=O)Nc5ccccc54)C3CC12,1.0145,Inactive,96487619,COC(=O)C1=COC(C)C2CN3CCC4(C(=O)Nc5ccccc54)C3CC12,JMIAZDVHNCCPDM-UHFFFAOYSA-N,"(3r,20s)-19alpha-methyl-2-oxoformosanan-16-carboxylic acid methyl ester",98363.0,368.173607248,2.062499999999999,67.87
+CARBARIL,CNC(=O)Oc1cccc2ccccc12,1.0508,Inactive,96570023,CNC(=O)Oc1cccc2ccccc12,CVXBEEMKQHEXEN-UHFFFAOYSA-N,carbaryl,6129.0,201.078978592,2.5580000000000007,38.33
+MORANTEL CITRATE,Cc1ccsc1C=CC1=NCCCN1C.O=C(O)CC(O)(CC(=O)O)C(=O)O,0.986325,Inactive,96591575,Cc1ccsc1C=CC1=NCCCN1C.O=C(O)CC(O)(CC(=O)O)C(=O)O,OLOCXIJVDIVAHH-UHFFFAOYSA-N,"2-hydroxypropane-1,2,3-tricarboxylic acid;1-methyl-2-[2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4h-pyrimidine",57369824.0,412.1304221079999,1.5552199999999998,147.73000000000002
+LECANORIC ACID,Cc1cc(OC(=O)c2c(C)cc(O)cc2O)cc(O)c1C(=O)O,0.87651,Inactive,96649355,Cc1cc(OC(=O)c2c(C)cc(O)cc2O)cc(O)c1C(=O)O,HEMSJKZDHNSSEW-UHFFFAOYSA-N,lecanoric acid,99613.0,318.073952788,2.337640000000001,124.29
+PRASUGREL,CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2,1.04913,Inactive,96769270,CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2,DTGLZDAWLRGWQN-UHFFFAOYSA-N,prasugrel,6918456.0,373.11479272,3.891000000000004,46.61
+4-ANISALDEHYDE,COc1ccc(C=O)cc1,1.02817,Inactive,96904409,COc1ccc(C=O)cc1,ZRSNZINYAWTAHE-UHFFFAOYSA-N,p-anisaldehyde,31244.0,136.052429496,1.5076999999999998,26.3
+MEROPENEM,CC(O)C1C(=O)N2C(C(=O)O)=C(SC3CNC(C(=O)N(C)C)C3)C(C)C12,0.051712,Active,97053046,CC(O)C1C(=O)N2C(C(=O)O)=C(SC3CNC(C(=O)N(C)C)C3)C(C)C12,DMJNNHOOLUXYBV-UHFFFAOYSA-N,3-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid,3874387.0,383.15149190000005,-0.3079999999999994,110.18
+ETHYL ORSELLINATE,CCOC(=O)c1c(C)cc(O)cc1O,0.996745,Inactive,97318140,CCOC(=O)c1c(C)cc(O)cc1O,UQSRXQMIXSZGLA-UHFFFAOYSA-N,ethyl orsellinate,75653.0,196.073558864,1.58292,66.76
+RHOIFOLIN,CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O,1.0816,Inactive,97323810,CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O,RPMNUQRUHXIGHK-UHFFFAOYSA-N,apigenin-7-o-neohesperidoside,5459217.0,578.1635556399999,-1.0983000000000007,228.97
+"3,5-DIHYDROXYFLAVONE",O=c1c(O)c(-c2ccccc2)oc2cccc(O)c12,0.975625,Inactive,97382133,O=c1c(O)c(-c2ccccc2)oc2cccc(O)c12,QHYWQIVTVQAKQF-UHFFFAOYSA-N,"3,5-dihydroxyflavone",5393151.0,254.0579088,2.8712000000000013,70.67
+DIMETHICONE (1%/ DMSO),C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,0.893865,Inactive,97582241,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,CXQXSVUQTKDNFP-UHFFFAOYSA-N,octamethyltrisiloxane,24705.0,236.108409598,3.391200000000002,18.46
+TOLAZOLINE HYDROCHLORIDE,Cl.c1ccc(CC2=NCCN2)cc1,0.98038,Inactive,97590567,Cl.c1ccc(CC2=NCCN2)cc1,RHTNTTODYGNRSP-UHFFFAOYSA-N,tolazoline hydrochloride,6048.0,196.076726096,1.6525999999999996,24.39
+LEVOTHYROXINE SODIUM,NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+],0.99399,Inactive,97668590,NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+],YDTFRJLNMPSCFM-UHFFFAOYSA-M,"thyroxine, dl-, sodium salt",23670461.0,798.6686440800001,0.2265999999999998,95.61
+DAUNORUBICIN HYDROCHLORIDE,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1.Cl,1.0255,Inactive,97971870,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1.Cl,GUGHGUXZJWAIAS-UHFFFAOYSA-N,"(8s-cis)-8-acetyl-10-[(3-amino-2,3,6-trideoxy-alpha-l-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxynaphthacene-5,12-dione hydrochloride",21864425.0,563.1558238399999,1.4506999999999997,185.84
+BENZALKONIUM CHLORIDE HYDRATE,CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.O.[Cl-],0.0543775,Active,98104745,CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.O.[Cl-],YDYYFACRFOILLS-UHFFFAOYSA-M,benzalkonium chloride hydrate,168314442.0,371.295492644,2.753300000000001,31.5
+PARGYLINE HYDROCHLORIDE,C#CCN(C)Cc1ccccc1.Cl,1.11785,Inactive,98223353,C#CCN(C)Cc1ccccc1.Cl,BCXCABRDBBWWGY-UHFFFAOYSA-N,pargyline hydrochloride,9373.0,195.081477128,2.1734000000000004,3.24
+METHOPRENE (S),COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C,0.81555,Inactive,98292921,COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C,NFGXHKASABOEEW-UHFFFAOYSA-N,"propan-2-yl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate",38532.0,310.250794948,5.062000000000006,35.53
+DROPROPIZINE,OCC(O)CN1CCN(c2ccccc2)CC1,1.1102,Inactive,98346209,OCC(O)CN1CCN(c2ccccc2)CC1,PTVWPYVOOKLBCG-UHFFFAOYSA-N,dropropizine,3169.0,236.15247788,0.1617999999999997,46.940000000000005
+FLUCONAZOLE,OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,0.99794,Inactive,98395332,OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,RFHAOTPXVQNOHP-UHFFFAOYSA-N,fluconazole,3365.0,306.104065444,0.7357999999999993,81.64999999999999
+SMILAGENIN ACETATE,CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1,1.13015,Inactive,98424451,CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1,LVRAKYNQYKVPIK-UHFFFAOYSA-N,neotigogenin acetate,313012.0,458.33960995199993,6.364600000000007,44.760000000000005
+ZALEPLON,CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1,1.061125,Inactive,98620747,CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1,HUNXMJYCHXQEGX-UHFFFAOYSA-N,zaleplon,5719.0,305.12766010000007,2.6407800000000003,74.28999999999999
+CLONIXIN,Cc1c(Cl)cccc1Nc1ncccc1C(=O)O,1.00755,Inactive,99131124,Cc1c(Cl)cccc1Nc1ncccc1C(=O)O,CLOMYZFHNHFSIQ-UHFFFAOYSA-N,clonixin,28718.0,262.050905272,3.485220000000001,62.22
+CANTHARIDIN,CC12C(=O)OC(=O)C1(C)C1CCC2O1,0.928455,Inactive,99184566,CC12C(=O)OC(=O)C1(C)C1CCC2O1,DHZBEENLJMYSHQ-UHFFFAOYSA-N,"hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione",2545.0,196.073558864,0.6436,52.60000000000001
+GAMBOGIC ACID,CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(C)C(=O)O)C4=O)C3=O,1.007695,Inactive,99239134,CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(C)C(=O)O)C4=O)C3=O,GEZHEQNLKAOMCA-UHFFFAOYSA-N,gambogicacid,3451.0,628.303618368,7.239300000000007,119.36
+AMOXAPINE,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,0.792665,Inactive,99349341,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,QWGDMFLQWFTERH-UHFFFAOYSA-N,amoxapine,2170.0,313.098189812,3.4292000000000025,36.86
+AKLOMIDE,NC(=O)c1ccc([N+](=O)[O-])cc1Cl,1.10895,Inactive,99390948,NC(=O)c1ccc([N+](=O)[O-])cc1Cl,GFGSZUNNBQXGMK-UHFFFAOYSA-N,aklomide,2075.0,199.9988697,1.3471,86.23
+SURAMIN HEXASODIUM,Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3C)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],0.99196,Inactive,99421124,Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3C)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],VAPNKLKDKUDFHK-UHFFFAOYSA-H,suramin (sodium salt),5360.0,1427.9385730279998,-13.288359999999994,500.7299999999999
+ARBUTIN,OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,0.99262,Inactive,99506090,OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol",346.0,272.08960285200004,-1.4291000000000005,119.61
+SPERMINE,NCCCNCCCCNCCCN,1.10795,Inactive,99605331,NCCCNCCCCNCCCN,PFNFFQXMRSDOHW-UHFFFAOYSA-N,spermine,1103.0,202.215746832,-0.3565999999999977,76.1
+COLCHICEINE,COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1C(NC(C)=O)CC2,1.028995,Inactive,99997159,COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1C(NC(C)=O)CC2,PRGILOMAMBLWNG-UHFFFAOYSA-N,"7-acetamido-10-hydroxy-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5h)-one",10156.0,385.15253745600006,2.568600000000001,94.09