C02CA011219764.0CHEMBL2CHEMBL2CHEMBL2CHEMBL21.783C19H21N5O4383.418128383.41-1.29106.950.73N4COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC RDKit 2D 28 31 0 0 0 0 0 0 0 0999 V2000 0.9375 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -2.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -1.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -1.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -0.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -3.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 3 6 1 0 4 2 1 0 5 1 1 0 6 5 2 0 7 9 1 0 8 1 1 0 9 19 1 0 10 3 1 0 11 7 1 0 12 6 1 0 13 14 1 0 14 12 2 0 15 11 1 0 16 8 1 0 17 8 1 0 18 16 1 0 19 17 1 0 20 7 2 0 21 11 2 0 22 15 1 0 23 21 1 0 24 4 1 0 25 13 1 0 26 14 1 0 27 26 1 0 28 25 1 0 3 4 2 0 9 18 1 0 10 13 2 0 22 23 2 0 M END > <chembl_id> CHEMBL2 > <chembl_pref_name> PRAZOSINInChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)IENZQIKPVFGBNW-UHFFFAOYSA-NCP-122991RESEARCH_CODECP-122991PrazosinATCPRAZOSINPrazosinBANPRAZOSINPrazosinINNPRAZOSINPrazosinMERCK_INDEXPRAZOSINPrazosinOTHERPRAZOSINPrazosinaINN_SPANISHPRAZOSINAPrazosineINN_FRENCHPRAZOSINESmall molecule1TruePRAZOSINMOLTrue-azosinantihypertensives (prazosin type)-azosin1968N07BA0121nicotinenicotineDailyMedTrue19844.0CHEMBL3CHEMBL3CHEMBL3CHEMBL31.851C10H14N2162.24212162.24-0.4116.130.63Y1CN1CCC[C@H]1c1cccnc1 RDKit 2D 12 13 0 0 1 0 0 0 0 0999 V2000 3.3250 -3.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -3.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 2 3 1 1 4 5 2 0 5 3 1 0 6 1 1 0 7 1 1 0 8 2 1 0 9 6 1 0 10 3 2 0 11 12 2 0 12 10 1 0 9 8 1 0 11 4 1 0 M END > <chembl_id> CHEMBL3 > <chembl_pref_name> NICOTINEInChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1SNICXCGAKADSCV-JTQLQIEISA-NHabitrolTRADE_NAMEHABITROLNicabateTRADE_NAMENICABATENicoderm cqTRADE_NAMENICODERM CQNicopassTRADE_NAMENICOPASSNicopatchTRADE_NAMENICOPATCHNicorette invisiTRADE_NAMENICORETTE INVISINicotineATCNICOTINENicotineBNFNICOTINENicotineFDANICOTINENicotineMERCK_INDEXNICOTINENicotineOTHERNICOTINENicotineTRADE_NAMENICOTINENicotineUSPNICOTINENicotinell classicTRADE_NAMENICOTINELL CLASSICNicotinell supportTRADE_NAMENICOTINELL SUPPORTNicotinell tts 10TRADE_NAMENICOTINELL TTS 10Nicotinell tts 20TRADE_NAMENICOTINELL TTS 20Nicotinell tts 30TRADE_NAMENICOTINELL TTS 30NicotrolTRADE_NAMENICOTROLNicotrol inhalerTRADE_NAMENicotrol InhalerNicotrol nsTRADE_NAMENicotrol NSNiquitinTRADE_NAMENIQUITINNiquitin clrTRADE_NAMENIQUITIN CLRNiquitin minis cherryTRADE_NAMENIQUITIN MINIS CHERRYNiquitin minis mintTRADE_NAMENIQUITIN MINIS MINTNiquitin minis orangeTRADE_NAMENIQUITIN MINIS ORANGENiquitin mintTRADE_NAMENIQUITIN MINTNiquitin pre-quitTRADE_NAMENIQUITIN PRE-QUITNiquitin strips mintTRADE_NAMENIQUITIN STRIPS MINTProstepTRADE_NAMEPROSTEPStoppersTRADE_NAMESTOPPERSStubitTRADE_NAMESTUBITSmall molecule1TrueNICOTINEMOLTrueTrue1985J01MA01S02AA16S01AE0111ofloxacinofloxacinDailyMedTrue19904.0CHEMBL4CHEMBL4CHEMBL4CHEMBL41.542C18H20FN3O4361.376126361.37-0.2175.010.87N2CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 RDKit 2D 26 29 0 0 0 0 0 0 0 0999 V2000 3.0250 -1.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -1.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2583 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -1.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -3.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -3.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -3.3042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -2.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 3 1 1 0 4 3 1 0 5 3 2 0 6 1 1 0 7 2 1 0 8 4 2 0 9 17 1 0 10 8 1 0 11 5 1 0 12 8 1 0 13 2 1 0 14 1 1 0 15 23 1 0 16 7 2 0 17 14 1 0 18 12 1 0 19 12 1 0 20 13 2 0 21 10 1 0 22 18 1 0 23 19 1 0 24 13 1 0 25 15 1 0 26 14 1 0 5 7 1 0 4 9 1 0 11 10 2 0 15 22 1 0 M END > <chembl_id> CHEMBL4 > <chembl_pref_name> OFLOXACINInChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)GSDSWSVVBLHKDQ-UHFFFAOYSA-NDL-8280RESEARCH_CODEDL-8280ExocinTRADE_NAMEEXOCINFloxinTRADE_NAMEFLOXINFloxin oticTRADE_NAMEFLOXIN OTICHOE 280RESEARCH_CODEHOE 280HOE-280RESEARCH_CODEHOE-280J01MA01RESEARCH_CODEJ01MA01NSC-727071RESEARCH_CODENSC-727071NSC-758178RESEARCH_CODENSC-758178OcufloxTRADE_NAMEOCUFLOXOfloxacinATCOFLOXACINOfloxacinBANOFLOXACINOfloxacinBNFOFLOXACINOfloxacinFDAOFLOXACINOfloxacinINNOFLOXACINOfloxacinJANOFLOXACINOfloxacinMERCK_INDEXOFLOXACINOfloxacinOTHEROFLOXACINOfloxacinTRADE_NAMEOFLOXACINOfloxacinUSANOFLOXACINOfloxacinUSPOFLOXACINOfloxacineINN_FRENCHOFLOXACINEOfloxacinoINN_SPANISHOFLOXACINOTarividTRADE_NAMETARIVIDTarivid 400TRADE_NAMETARIVID 400Tarivid i.v.TRADE_NAMETARIVID I.V.VisirenTRADE_NAMEVisirenSmall moleculeTrueTrueOFLOXACINMOLTrueTrue-oxacinantibacterials (quinolone derivatives)-oxacin1984J01MB022True19644.0CHEMBL5CHEMBL5CHEMBL5CHEMBL51.422C12H12N2O3232.244117232.24-0.9872.190.85N2CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21 RDKit 2D 17 18 0 0 0 0 0 0 0 0999 V2000 4.2125 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -5.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -5.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -4.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 3 5 1 0 4 1 1 0 5 6 1 0 6 1 2 0 7 3 1 0 8 1 1 0 9 2 1 0 10 4 2 0 11 8 2 0 12 7 2 0 13 8 1 0 14 9 2 0 15 5 1 0 16 12 1 0 17 15 1 0 2 3 2 0 14 12 1 0 M END > <chembl_id> CHEMBL5 > <chembl_pref_name> NALIDIXIC ACIDInChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)MHWLWQUZZRMNGJ-UHFFFAOYSA-NAcide nalidixiqueINN_FRENCHACIDE NALIDIXIQUEAcido nalidixicoINN_SPANISHACIDO NALIDIXICOMictralTRADE_NAMEMICTRALNalidixaneOTHERNALIDIXANENalidixateOTHERNALIDIXATENalidixic acidATCNALIDIXIC ACIDNalidixic acidBANNALIDIXIC ACIDNalidixic acidBNFNALIDIXIC ACIDNalidixic acidFDANALIDIXIC ACIDNalidixic acidINNNALIDIXIC ACIDNalidixic acidJANNALIDIXIC ACIDNalidixic acidMERCK_INDEXNALIDIXIC ACIDNalidixic acidOTHERNALIDIXIC ACIDNalidixic acidTRADE_NAMENALIDIXIC ACIDNalidixic acidUSANNALIDIXIC ACIDNalidixic acidUSPNALIDIXIC ACIDNalixTRADE_NAMENALIXNeg gramTRADE_NAMENeg GramNeggramTRADE_NAMENEGGRAMNegramTRADE_NAMENEGRAMNSC-82174RESEARCH_CODENSC-82174UribenTRADE_NAMEURIBENUronegTRADE_NAMEUronegWIN 18,320RESEARCH_CODEWIN 18,320WIN-18320RESEARCH_CODEWIN-18320Small molecule1TrueNALIDIXIC ACIDMOLTruenal-narcotic agonists/antagonists (normorphine type)nal-1962C01EB03M02AA23M01AB51S01BC01M01AB01112indomethacinindomethacinDailyMedTrue19654.0CHEMBL6CHEMBL6CHEMBL6CHEMBL63.933C19H16ClNO4357.794125357.79-0.7268.530.77N4COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1 RDKit 2D 25 27 0 0 0 0 0 0 0 0999 V2000 0.6375 -2.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -1.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -5.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -4.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -0.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 2 0 4 1 1 0 5 4 1 0 6 1 1 0 7 3 1 0 8 4 2 0 9 6 1 0 10 7 1 0 11 5 2 0 12 6 2 0 13 10 2 0 14 9 2 0 15 9 1 0 16 2 1 0 17 18 2 0 18 8 1 0 19 21 1 0 20 10 1 0 21 15 2 0 22 14 1 0 23 19 1 0 24 17 1 0 25 24 1 0 5 3 1 0 22 19 2 0 11 17 1 0 M END > <chembl_id> CHEMBL6 > <chembl_pref_name> INDOMETHACINInChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)CGIGDMFJXJATDK-UHFFFAOYSA-NAconipOTHERACONIPArtracinTRADE_NAMEARTRACINArtracin srTRADE_NAMEARTRACIN SRBerlind 75 retTRADE_NAMEBERLIND 75 RETDurametacinOTHERDURAMETACINFlexin-25 continusTRADE_NAMEFLEXIN-25 CONTINUSFlexin-50 continusTRADE_NAMEFLEXIN-50 CONTINUSFlexin-75 continusTRADE_NAMEFLEXIN-75 CONTINUSImbrilonTRADE_NAMEIMBRILONIndocid-rTRADE_NAMEINDOCID-RIndocid retTRADE_NAMEINDOCID RETIndocinTRADE_NAMEINDOCINIndocin srTRADE_NAMEINDOCIN SRIndodermTRADE_NAMEINDODERMIndoflexTRADE_NAMEINDOFLEXIndolarTRADE_NAMEINDOLARIndolar srTRADE_NAMEINDOLAR SRIndo-lemmonTRADE_NAMEINDO-LEMMONIndomax-25TRADE_NAMEINDOMAX-25Indomax-75 srTRADE_NAMEINDOMAX-75 SRIndometacinATCINDOMETACINIndometacinBANINDOMETACINIndometacinBNFINDOMETACINIndometacinDCFINDOMETACINIndometacinINNINDOMETACINIndometacinJANINDOMETACINIndometacinOTHERINDOMETACINIndometacinaINN_SPANISHINDOMETACINAIndometacineINN_FRENCHINDOMETACINEIndometacin farnesilJANINDOMETACIN FARNESILIndometacinumOTHERINDOMETACINUMIndomethacinFDAINDOMETHACINIndomethacinMERCK_INDEXINDOMETHACINIndomethacinOTHERINDOMETHACINIndomethacinTRADE_NAMEINDOMETHACINIndomethacinUSANINDOMETHACINIndomethacinUSPINDOMETHACINIndomodTRADE_NAMEINDOMODIndo-paedTRADE_NAMEINDO-PAEDIndoptolTRADE_NAMEINDOPTOLIndotard mr 75TRADE_NAMEINDOTARD MR 75LedmecinTRADE_NAMELEDMECINMaximet srTRADE_NAMEMAXIMET SRMobilanTRADE_NAMEMOBILANNSC-757061RESEARCH_CODENSC-757061NSC-77541RESEARCH_CODENSC-77541Pardelprin mrTRADE_NAMEPARDELPRIN MRReumacideOTHERREUMACIDERheumacin laTRADE_NAMERHEUMACIN LARimacidTRADE_NAMERIMACIDSlo-indoTRADE_NAMESLO-INDOTivorbexTRADE_NAMETIVORBEXSmall molecule1TrueTrueINDOMETHACINMOLTrueTrue1963J01CG011119864.0CHEMBL403CHEMBL403CHEMBL403CHEMBL403-0.79C8H11NO5S233.244115233.240.7791.750.60N1CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O RDKit 2D 16 17 0 0 1 0 0 0 0 0999 V2000 3.9417 -0.6292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -2.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5458 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -2.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -0.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 3 1 1 0 4 1 1 0 5 3 1 0 6 7 1 0 7 4 1 0 5 8 1 6 9 1 2 0 10 1 2 0 11 6 2 0 12 8 1 0 13 8 2 0 14 3 1 0 15 3 1 0 4 16 1 6 5 2 1 0 2 6 1 0 M END > <chembl_id> CHEMBL403 > <chembl_pref_name> SULBACTAMInChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1FKENQMMABCRJMK-RITPCOANSA-NCP-458992RESEARCH_CODECP-458992NSC-759886RESEARCH_CODENSC-759886SulbactamATCSULBACTAMSulbactamBANSULBACTAMSulbactamINNSULBACTAMSulbactamMERCK_INDEXSULBACTAMSulbactamOTHERSULBACTAMSulbactamUSPSULBACTAMSmall molecule1TrueSULBACTAMMOLTrue-bactambeta-lactamase inhibitors-bactam1980J01CG021119934.0CHEMBL404CHEMBL404CHEMBL404CHEMBL404-1.521C10H12N4O5S300.307120300.30-0.31122.460.67N3C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O RDKit 2D 21 23 0 0 1 0 0 0 0 0999 V2000 4.7292 -12.8042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -11.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -11.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -12.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -10.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -12.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -10.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -11.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -11.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -9.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 -11.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -13.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -13.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 -12.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 -12.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -10.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -8.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -12.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -9.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -13.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 3 1 1 0 4 1 1 0 5 3 1 0 6 7 1 0 7 4 1 0 8 9 1 0 9 10 1 0 10 3 1 0 5 11 1 1 12 8 2 0 13 1 2 0 14 1 2 0 15 16 2 0 16 9 1 0 17 6 2 0 18 11 2 0 3 19 1 1 20 11 1 0 4 21 1 1 5 2 1 0 2 6 1 0 15 12 1 0 M END > <chembl_id> CHEMBL404 > <chembl_pref_name> TAZOBACTAMInChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1LPQZKKCYTLCDGQ-WEDXCCLWSA-NCL 298,741RESEARCH_CODECL 298,741CL-298741RESEARCH_CODECL-298741NSC-759887RESEARCH_CODENSC-759887TazobactamATCTAZOBACTAMTazobactamBANTAZOBACTAMTazobactamINNTAZOBACTAMTazobactamJANTAZOBACTAMTazobactamMERCK_INDEXTAZOBACTAMTazobactamOTHERTAZOBACTAMTazobactamUSANTAZOBACTAMTazobactamUSPTAZOBACTAMYTR-830HRESEARCH_CODEYTR-830HSmall molecule1TrueTAZOBACTAMMOLTrue-bactambeta-lactamase inhibitors-bactam1989J01MA02S03AA07S01AE03S02AA15112ciprofloxacinciprofloxacinDailyMedTrue19874.0CHEMBL8CHEMBL8CHEMBL8CHEMBL81.582C17H18FN3O3331.355224331.35-0.7274.570.89N3O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O RDKit 2D 24 27 0 0 0 0 0 0 0 0999 V2000 2.1792 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 0.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 0.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 1.7083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 -1.3917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2958 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2958 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 3 5 1 0 4 2 1 0 5 1 1 0 6 1 2 0 7 4 1 0 8 7 2 0 9 2 1 0 10 3 1 0 11 1 1 0 12 10 2 0 13 8 1 0 14 9 1 0 15 9 1 0 16 5 2 0 17 24 1 0 18 11 2 0 19 12 1 0 20 11 1 0 21 13 1 0 22 13 1 0 23 21 1 0 24 22 1 0 3 4 2 0 14 15 1 0 12 8 1 0 23 17 1 0 M END > <chembl_id> CHEMBL8 > <chembl_pref_name> CIPROFLOXACINInChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)MYSWGUAQZAJSOK-UHFFFAOYSA-NBAY O 9867 FREE BASERESEARCH_CODEBAY O 9867 FREE BASEBAY-O-9867 FREE BASERESEARCH_CODEBAY-O-9867 FREE BASEBAY Q 3939RESEARCH_CODEBAY Q 3939BAY-Q-3939RESEARCH_CODEBAY-Q-3939BAYQ3939RESEARCH_CODEBAYQ3939CetraxalTRADE_NAMECETRAXALCiproTRADE_NAMECIPROCiprofloxacinATCCIPROFLOXACINCiprofloxacinBANCIPROFLOXACINCiprofloxacinBNFCIPROFLOXACINCiprofloxacinFDACIPROFLOXACINCiprofloxacinINNCIPROFLOXACINCiprofloxacinJANCIPROFLOXACINCiprofloxacinMERCK_INDEXCIPROFLOXACINCiprofloxacinOTHERCIPROFLOXACINCiprofloxacinTRADE_NAMECIPROFLOXACINCiprofloxacinUSANCIPROFLOXACINCiprofloxacinUSPCIPROFLOXACINCiprofloxacin component of ciprodexTRADE_NAMECIPROFLOXACIN COMPONENT OF CIPRODEXCiprofloxacineINN_FRENCHCIPROFLOXACINECiprofloxacinoINN_SPANISHCIPROFLOXACINOCiprofloxacinumOTHERCIPROFLOXACINUMNSC-758467RESEARCH_CODENSC-758467OtiprioTRADE_NAMEOTIPRIOVelmonitTRADE_NAMEVelmonitSmall moleculeTrueTrueCIPROFLOXACINMOLTrueTrue-oxacinantibacterials (quinolone derivatives)-oxacin1987J01MA06S01AE0212True19864.0CHEMBL9CHEMBL9CHEMBL9CHEMBL91.272C16H18FN3O3319.345223319.34-0.9774.570.89N3CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21 RDKit 2D 23 25 0 0 0 0 0 0 0 0999 V2000 6.6500 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -4.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -4.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -6.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -3.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -6.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -5.8917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -5.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 1 1 0 4 6 1 0 5 1 2 0 6 5 1 0 7 4 2 0 8 7 1 0 9 2 2 0 10 1 1 0 11 9 1 0 12 8 1 0 13 3 2 0 14 22 1 0 15 10 2 0 16 11 1 0 17 10 1 0 18 6 1 0 19 12 1 0 20 12 1 0 21 19 1 0 22 20 1 0 23 18 1 0 2 4 1 0 11 8 2 0 14 21 1 0 M END > <chembl_id> CHEMBL9 > <chembl_pref_name> NORFLOXACINInChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)OGJPXUAPXNRGGI-UHFFFAOYSA-NBaccidalTRADE_NAMEBaccidalChibroxinTRADE_NAMECHIBROXINMK-366RESEARCH_CODEMK-366NorfloxacinATCNORFLOXACINNorfloxacinBANNORFLOXACINNorfloxacinBNFNORFLOXACINNorfloxacinFDANORFLOXACINNorfloxacinINNNORFLOXACINNorfloxacinJANNORFLOXACINNorfloxacinMERCK_INDEXNORFLOXACINNorfloxacinOTHERNORFLOXACINNorfloxacinUSANNORFLOXACINNorfloxacinUSPNORFLOXACINNorfloxacineINN_FRENCHNORFLOXACINENorfloxacinoINN_SPANISHNORFLOXACINONoroxinTRADE_NAMENOROXINNSC-757250RESEARCH_CODENSC-757250QuinabicTRADE_NAMEQuinabicUtinorTRADE_NAMEUTINORSmall moleculeTrueNORFLOXACINMOLTrueTrue-oxacinantibacterials (quinolone derivatives)-oxacin1984N06BA0111amphetamineamphetamineDailyMedTrue19554.0CHEMBL405CHEMBL405CHEMBL405CHEMBL4051.581C9H13N135.211110135.21-0.0226.020.65Y2CC(N)Cc1ccccc1 RDKit 2D 10 10 0 0 0 0 0 0 0 0999 V2000 1.5625 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 0.7208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 3 1 1 0 4 1 1 0 5 3 2 0 6 3 1 0 7 4 1 0 8 5 1 0 9 6 2 0 10 8 2 0 9 10 1 0 M END > <chembl_id> CHEMBL405 > <chembl_pref_name> AMPHETAMINEInChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3KWTSXDURSIMDCE-UHFFFAOYSA-NAdzenys erTRADE_NAMEADZENYS ERAdzenys xr-odtTRADE_NAMEADZENYS XR-ODTAmfetaminOTHERAMFETAMINAmfetamineATCAMFETAMINEAmfetamineINNAMFETAMINEAmfetamineOTHERAMFETAMINEAmphetamineFDAAMPHETAMINEAmphetamineMERCK_INDEXAMPHETAMINEAmphetamineOTHERAMPHETAMINEAmphetamine, dl-OTHERAMPHETAMINE, DL-Amphetamine resin complexFDAAMPHETAMINE RESIN COMPLEXAnfetaminaINN_SPANISHANFETAMINADyanavelOTHERDYANAVELDyanavel xrTRADE_NAMEDYANAVEL XRMydayis (mixed salts of a single entity)TRADE_NAMEMYDAYIS (MIXED SALTS OF A SINGLE ENTITY)NorephedraneOTHERNOREPHEDRANENSC-27159RESEARCH_CODENSC-27159Small molecule1TrueAMPHETAMINEMOLTrueC05AE02C01DA08C01DA5811isosorbide%20dinitrateisosorbide dinitrateDailyMedTrue19864.0CHEMBL6622CHEMBL1200689CHEMBL6622CHEMBL6622-1.06C6H8N2O8236.14816236.14-0.02123.200.45N4O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-] RDKit 2D 18 19 0 0 0 0 0 0 0 0999 V2000 10.7582 -23.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7582 -22.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9775 -23.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4929 -22.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9755 -22.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4874 -21.6213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7032 -21.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7066 -22.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0439 -23.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1331 -24.0074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8881 -24.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4738 -24.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9078 -23.5464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4242 -22.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3848 -21.5799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1737 -22.4018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8432 -21.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2609 -23.2174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 5 1 0 4 3 1 0 3 1 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 4 1 0 8 9 1 6 9 10 1 0 10 11 2 0 10 12 1 0 2 14 1 1 14 16 1 0 16 17 2 0 16 18 1 0 5 15 1 1 4 13 1 1 M CHG 4 10 1 12 -1 16 1 18 -1 M END > <chembl_id> CHEMBL6622 > <chembl_pref_name> ISOSORBIDE DINITRATEInChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1MOYKHGMNXAOIAT-JGWLITMVSA-NAngitakTRADE_NAMEANGITAKC01DA08RESEARCH_CODEC01DA08CarvasinTRADE_NAMECARVASINCedocardTRADE_NAMECEDOCARDCedocard-10TRADE_NAMECEDOCARD-10Cedocard-20TRADE_NAMECEDOCARD-20Cedocard-40TRADE_NAMECEDOCARD-40Cedocard-5TRADE_NAMECEDOCARD-5Cedocard retTRADE_NAMECEDOCARD RETDilatrateTRADE_NAMEDILATRATEDilatrate-srTRADE_NAMEDILATRATE-SRDiluted isosorbide dinitrateUSPDILUTED ISOSORBIDE DINITRATEDiluted-isosorbide dinitrateOTHERDILUTED-ISOSORBIDE DINITRATEDiluted isosorbide dinitrate rsUSPDILUTED ISOSORBIDE DINITRATE RSDinitrate d'isosorbideINN_FRENCHDINITRATE D'ISOSORBIDEDinitrato de isosorbidaINN_SPANISHDINITRATO DE ISOSORBIDAImtackTRADE_NAMEIMTACKIsocardTRADE_NAMEISOCARDIsoket 10TRADE_NAMEISOKET 10Isoket 20TRADE_NAMEISOKET 20Isoket 5TRADE_NAMEISOKET 5Isoket ret 20TRADE_NAMEISOKET RET 20Isoket ret 40TRADE_NAMEISOKET RET 40Iso mackTRADE_NAMEISO MACKIsomannide dinitrateOTHERISOMANNIDE DINITRATEIsomannide-dinitrateOTHERISOMANNIDE-DINITRATEIsordilTRADE_NAMEISORDILIsordil tembidsTRADE_NAMEISORDIL TEMBIDSIsosorbide dinitrateATCISOSORBIDE DINITRATEIsosorbide dinitrateBANISOSORBIDE DINITRATEIsosorbide dinitrateBNFISOSORBIDE DINITRATEIsosorbide dinitrateFDAISOSORBIDE DINITRATEIsosorbide dinitrateINNISOSORBIDE DINITRATEIsosorbide dinitrateJANISOSORBIDE DINITRATEIsosorbide dinitrateMERCK_INDEXISOSORBIDE DINITRATEIsosorbide dinitrateOTHERISOSORBIDE DINITRATEIsosorbide dinitrateTRADE_NAMEISOSORBIDE DINITRATEIsosorbide dinitrateUSANISOSORBIDE DINITRATEIsosorbide dinitrateUSPISOSORBIDE DINITRATEIsosorbide dinitrate component of bidilTRADE_NAMEISOSORBIDE DINITRATE COMPONENT OF BIDILIsosorbide dinitrate, dilutedOTHERISOSORBIDE DINITRATE, DILUTEDIsosorbide dinitrate, diluted-OTHERISOSORBIDE DINITRATE, DILUTED-Isosorbidi dinitras dilutesOTHERISOSORBIDI DINITRAS DILUTESIsosorbidi dinitras dilutusOTHERISOSORBIDI DINITRAS DILUTUSJeridinTRADE_NAMEJERIDINNSC-80038RESEARCH_CODENSC-80038Soni-sloTRADE_NAMESONI-SLOSorbichewTRADE_NAMESORBICHEWSorbid-20 saTRADE_NAMESORBID-20 SASorbid-40 saTRADE_NAMESORBID-40 SASorbide nitrateOTHERSORBIDE NITRATESorbidilatTRADE_NAMESORBIDILATSorbid saTRADE_NAMESORBID SASorbitrateTRADE_NAMESORBITRATEVascardinTRADE_NAMEVASCARDINSmall molecule1TrueISOSORBIDE DINITRATE1MOLTrueTrue1966N06AX03-24.0CHEMBL6437CHEMBL6437CHEMBL6437CHEMBL64373.082C18H20N2264.37220264.37-0.646.480.72NCN1CCN2c3ccccc3Cc3ccccc3C2C1 RDKit 2D 20 23 0 0 0 0 0 0 0 0999 V2000 0.0292 0.1208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -2.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4375 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 2 0 6 4 1 0 7 1 1 0 8 11 1 0 9 5 1 0 10 2 1 0 11 7 1 0 12 3 1 0 13 4 2 0 14 8 1 0 15 6 2 0 16 5 1 0 17 13 1 0 18 12 2 0 19 18 1 0 20 17 2 0 10 8 1 0 6 9 1 0 16 19 2 0 15 20 1 0 M END > <chembl_id> CHEMBL6437 > <chembl_pref_name> MIANSERINInChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3UEQUQVLFIPOEMF-UHFFFAOYSA-NJ16.389IRESEARCH_CODEJ16.389IMianserinATCMIANSERINMianserinBANMIANSERINMianserinINNMIANSERINMianserinMERCK_INDEXMIANSERINMianserinOTHERMIANSERINMianserinaINN_SPANISHMIANSERINAMianserineINN_FRENCHMIANSERINETolvonOTHERTOLVONSmall molecule1MIANSERINMOLTrue-anserinserotonin 5-HT2 receptor antagonists-anserin1968TrueN06AA0211219594.0CHEMBL11CHEMBL11CHEMBL11CHEMBL113.882C19H24N2280.42221280.42-0.776.480.84N4CN(C)CCCN1c2ccccc2CCc2ccccc21 RDKit 2D 21 23 0 0 0 0 0 0 0 0999 V2000 5.6542 -5.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -8.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -8.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 1 1 0 4 2 2 0 5 3 1 0 6 4 1 0 7 5 1 0 8 1 1 0 9 8 1 0 10 13 1 0 11 3 2 0 12 2 1 0 13 9 1 0 14 5 2 0 15 4 1 0 16 10 1 0 17 10 1 0 18 11 1 0 19 12 2 0 20 19 1 0 21 18 2 0 7 6 1 0 21 14 1 0 20 15 2 0 M END > <chembl_id> CHEMBL11 > <chembl_pref_name> IMIPRAMINEInChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3BCGWQEUPMDMJNV-UHFFFAOYSA-NAntideprinOTHERANTIDEPRINBerkomineOTHERBERKOMINECristaliaOTHERCRISTALIAImipraminaINN_SPANISHIMIPRAMINAImipramineATCIMIPRAMINEImipramineINNIMIPRAMINEImipramineMERCK_INDEXIMIPRAMINEImipramineOTHERIMIPRAMINEMelipramineOTHERMELIPRAMINENSC-169866RESEARCH_CODENSC-169866ORG-2463RESEARCH_CODEORG-2463SermonilOTHERSERMONILTrimipramine maleate impurity, imipramine-USPTRIMIPRAMINE MALEATE IMPURITY, IMIPRAMINE-Small molecule1TrueTrueIMIPRAMINEMOLTrue-pramineantidepressants (imipramine type)-pramineC03BA111indapamideindapamideDailyMedTrue19834.0CHEMBL406CHEMBL406CHEMBL406CHEMBL4062.082C16H16ClN3O3S365.844224365.84-1.6592.500.87N3CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 RDKit 2D 24 26 0 0 0 0 0 0 0 0999 V2000 2.8875 -7.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -11.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -10.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6833 -10.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4083 -11.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -8.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -11.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -12.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -9.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -12.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6583 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -7.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -7.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -8.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -10.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0583 -8.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 -8.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -7.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -10.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -12.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -11.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 -11.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 3 1 1 0 4 5 1 0 5 10 1 0 6 2 1 0 7 3 1 0 8 2 1 0 9 6 1 0 10 7 2 0 11 8 1 0 12 3 2 0 13 1 2 0 14 1 2 0 15 1 1 0 16 5 2 0 17 18 2 0 18 12 1 0 19 12 1 0 20 6 2 0 21 9 2 0 22 8 1 0 23 20 1 0 24 21 1 0 10 17 1 0 11 9 1 0 24 23 2 0 M END > <chembl_id> CHEMBL406 > <chembl_pref_name> INDAPAMIDEInChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)NDDAHWYSQHTHNT-UHFFFAOYSA-NArifonOTHERARIFONBajatenOTHERBAJATENCardide srTRADE_NAMECARDIDE SRDamideOTHERDAMIDEEthibide xlTRADE_NAMEETHIBIDE XLFlubestOTHERFLUBESTFludexOTHERFLUDEXFludinOTHERFLUDINFlupamidOTHERFLUPAMIDIndaflexOTHERINDAFLEXIndamideOTHERINDAMIDEIndamolOTHERINDAMOLIndapamidaINN_SPANISHINDAPAMIDAIndapamideATCINDAPAMIDEIndapamideBANINDAPAMIDEIndapamideBNFINDAPAMIDEIndapamideFDAINDAPAMIDEIndapamideINNINDAPAMIDEIndapamideJANINDAPAMIDEIndapamideMERCK_INDEXINDAPAMIDEIndapamideOTHERINDAPAMIDEIndapamideTRADE_NAMEINDAPAMIDEIndapamideUSANINDAPAMIDEIndapamideUSPINDAPAMIDEIndapamide component of br-1015TRADE_NAMEINDAPAMIDE COMPONENT OF BR-1015Indaxa 2.5TRADE_NAMEINDAXA 2.5Indipam xlTRADE_NAMEINDIPAM XLIpamixOTHERIPAMIXKYD-041RESEARCH_CODEKYD-041LorvasOTHERLORVASLozolTRADE_NAMELOZOLMapemid xlTRADE_NAMEMAPEMID XLNatrilixTRADE_NAMENATRILIXNatrilix srTRADE_NAMENATRILIX SRNatrixOTHERNATRIXNindaxa 2.5TRADE_NAMENINDAXA 2.5NoranatOTHERNORANATNSC-757075RESEARCH_CODENSC-757075Opumide 2.5TRADE_NAMEOPUMIDE 2.5Rawel xlTRADE_NAMERAWEL XLS-1520RESEARCH_CODES-1520SE-1520RESEARCH_CODESE-1520TandixOTHERTANDIXTensaid xlTRADE_NAMETENSAID XLTertensifOTHERTERTENSIFVarbim xlTRADE_NAMEVARBIM XLVeroxilOTHERVEROXILSmall molecule1TrueINDAPAMIDEMOLTrue-pamidediuretics (sulfamoylbenzoic acid derivatives)-pamide1979V03AB25112flumazenilflumazenilDailyMedTrue19914.0CHEMBL407CHEMBL407CHEMBL407CHEMBL4071.772C15H14FN3O3303.29522303.29-0.6364.430.79N2CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2 RDKit 2D 22 24 0 0 0 0 0 0 0 0999 V2000 5.2292 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -4.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -3.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -5.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -6.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -2.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -3.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -5.8417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 1 2 0 4 7 2 0 5 3 1 0 6 8 1 0 7 2 1 0 8 10 1 0 9 2 1 0 10 1 1 0 11 3 1 0 12 4 1 0 13 7 1 0 14 6 2 0 15 11 2 0 16 17 1 0 17 13 2 0 18 11 1 0 19 8 1 0 20 16 1 0 21 18 1 0 22 21 1 0 5 9 2 0 6 4 1 0 16 12 2 0 M END > <chembl_id> CHEMBL407 > <chembl_pref_name> FLUMAZENILInChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3OFBIFZUFASYYRE-UHFFFAOYSA-NAnexateTRADE_NAMEANEXATEFlumazenilATCFLUMAZENILFlumazenilBANFLUMAZENILFlumazenilBNFFLUMAZENILFlumazenilFDAFLUMAZENILFlumazenilINNFLUMAZENILFlumazenilJANFLUMAZENILFlumazenilMERCK_INDEXFLUMAZENILFlumazenilOTHERFLUMAZENILFlumazenilTRADE_NAMEFLUMAZENILFlumazenilUSANFLUMAZENILFlumazenilUSPFLUMAZENILFlumazepilOTHERFLUMAZEPILLanexatOTHERLANEXATMaziconOTHERMAZICONNSC-759193RESEARCH_CODENSC-759193RO-15-1788RESEARCH_CODERO-15-1788RO-151788RESEARCH_CODERO-151788RO 15-1788/000RESEARCH_CODERO 15-1788/000RO-15-1788/000RESEARCH_CODERO-15-1788/000RO-151788000RESEARCH_CODERO-151788000RO-1722RESEARCH_CODERO-1722RO-41-8157RESEARCH_CODERO-41-8157RomaziconTRADE_NAMEROMAZICONSmall moleculeTrueFLUMAZENILMOLTrue-azenilbenzodiazepine receptor agonists/antagonists-azenil1987A10BG01-2True19974.0CHEMBL408CHEMBL408CHEMBL408CHEMBL4084.372C24H27NO5S441.556231441.551.0484.860.72N5Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 RDKit 2D 31 34 0 0 0 0 0 0 0 0999 V2000 8.7375 -4.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9625 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -3.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -4.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6792 -3.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -4.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1875 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -5.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -4.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 3 1 1 0 4 13 1 0 5 1 1 0 6 2 1 0 7 3 1 0 8 9 2 0 9 4 1 0 10 6 2 0 11 14 1 0 12 5 1 0 13 18 1 0 14 22 1 0 15 3 2 0 16 5 2 0 17 12 1 0 18 14 1 0 19 8 1 0 20 23 1 0 21 17 1 0 22 20 1 0 23 27 1 0 24 6 1 0 25 21 2 0 26 21 1 0 27 26 2 0 28 25 1 0 29 9 1 0 30 10 1 0 31 14 1 0 7 12 1 0 28 23 2 0 4 2 2 0 8 10 1 0 M END > <chembl_id> CHEMBL408 > <chembl_pref_name> TROGLITAZONEInChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)GXPHKUHSUJUWKP-UHFFFAOYSA-NCI-991RESEARCH_CODECI-991CS-045RESEARCH_CODECS-045GR-92132XRESEARCH_CODEGR-92132XGR92132XRESEARCH_CODEGR92132XPrelayTRADE_NAMEPRELAYRezulinTRADE_NAMEREZULINRomozinTRADE_NAMEROMOZINTroglitazonaINN_SPANISHTROGLITAZONATroglitazoneATCTROGLITAZONETroglitazoneBANTROGLITAZONETroglitazoneBNFTROGLITAZONETroglitazoneFDATROGLITAZONETroglitazoneINNTROGLITAZONETroglitazoneJANTROGLITAZONETroglitazoneMERCK_INDEXTROGLITAZONETroglitazoneOTHERTROGLITAZONETroglitazoneUSANTROGLITAZONESmall molecule1TrueTROGLITAZONEMOLTrue-glitazoneperoxisome proliferator activiating receptor (PPAR) agonists (thiazolidene derivatives)-glitazone1995TrueL02BB031bicalutamidebicalutamideDailyMedTrue19954.0CHEMBL409CHEMBL409CHEMBL409CHEMBL4092.882C18H14F4N2O4S430.385229430.38-1.64107.260.56N5CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 RDKit 2D 29 30 0 0 0 0 0 0 0 0999 V2000 3.5838 -0.4134 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3582 -0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9731 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -0.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 -0.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -0.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1463 -0.3790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -2.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2475 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7979 -1.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3406 0.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9147 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1282 -0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4727 -0.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7269 -1.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 0.2966 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9728 0.2755 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.6456 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 0.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8821 -0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2264 -1.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -1.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4759 -1.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6005 0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8397 -1.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4956 -0.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1100 -1.9637 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 1 1 0 4 6 1 0 5 2 1 0 6 14 2 0 7 5 1 0 8 10 3 0 9 1 1 0 10 11 1 0 11 23 2 0 12 1 2 0 13 1 2 0 14 15 1 0 15 7 1 0 16 5 2 0 17 4 1 0 18 4 1 0 19 4 1 0 20 2 1 0 21 9 2 0 22 9 1 0 23 24 1 0 24 15 2 0 25 27 1 0 26 2 1 0 27 22 2 0 28 21 1 0 29 25 1 0 28 25 2 0 6 11 1 0 M END > <chembl_id> CHEMBL409 > <chembl_pref_name> BICALUTAMIDEInChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)LKJPYSCBVHEWIU-UHFFFAOYSA-NBicalutamidaINN_SPANISHBICALUTAMIDABicalutamideATCBICALUTAMIDEBicalutamideBANBICALUTAMIDEBicalutamideBNFBICALUTAMIDEBicalutamideFDABICALUTAMIDEBicalutamideINNBICALUTAMIDEBicalutamideJANBICALUTAMIDEBicalutamideMERCK_INDEXBICALUTAMIDEBicalutamideOTHERBICALUTAMIDEBicalutamideTRADE_NAMEBICALUTAMIDEBicalutamideUSANBICALUTAMIDEBicalutamideUSPBICALUTAMIDECalutideTRADE_NAMECalutideCasodexTRADE_NAMECASODEXCosudexTRADE_NAMECosudexICI 176,334RESEARCH_CODEICI 176,334ICI-176334RESEARCH_CODEICI-176334ICI176,334-1RESEARCH_CODEICI176,334-1KalumidTRADE_NAMEKalumidNSC-759816RESEARCH_CODENSC-759816Small moleculeTrueBICALUTAMIDEMOLTrue-lutamidenon-steroid antiandrogens-lutamide1994N05BA01112diazepamdiazepamDailyMedTrue19634.0CHEMBL12CHEMBL12CHEMBL12CHEMBL123.152C16H13ClN2O284.75220284.75-0.5632.670.79N1CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 RDKit 2D 20 22 0 0 0 0 0 0 0 0999 V2000 5.2167 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -3.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -4.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -3.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -4.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -6.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 1 2 0 4 1 1 0 5 4 2 0 6 2 1 0 7 5 1 0 8 3 1 0 9 1 1 0 10 4 1 0 11 6 2 0 12 9 2 0 13 12 1 0 14 2 1 0 15 12 1 0 16 10 1 0 17 10 2 0 18 16 2 0 19 17 1 0 20 19 2 0 13 8 2 0 6 7 1 0 20 18 1 0 M END > <chembl_id> CHEMBL12 > <chembl_pref_name> DIAZEPAMInChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3AAOVKJBEBIDNHE-UHFFFAOYSA-NAlupram 10TRADE_NAMEALUPRAM 10Alupram 2TRADE_NAMEALUPRAM 2Alupram 5TRADE_NAMEALUPRAM 5AnsiolisinaOTHERANSIOLISINAApozepamTRADE_NAMEApozepamAtensineTRADE_NAMEATENSINECentrazepamOTHERCENTRAZEPAMDiacepinOTHERDIACEPINDialarTRADE_NAMEDIALARDialar fteTRADE_NAMEDIALAR FTEDiastatTRADE_NAMEDIASTATDiastat acudialTRADE_NAMEDIASTAT ACUDIALDiazepamATCDIAZEPAMDiazepamBANDIAZEPAMDiazepamBNFDIAZEPAMDiazepamFDADIAZEPAMDiazepamINNDIAZEPAMDiazepamJANDIAZEPAMDiazepamMERCK_INDEXDIAZEPAMDiazepamOTHERDIAZEPAMDiazepamTRADE_NAMEDIAZEPAMDiazepamUSANDIAZEPAMDiazepamUSPDIAZEPAMDiazepam civUSPDIAZEPAM CIVDiazepam intensolTRADE_NAMEDIAZEPAM INTENSOLDizacTRADE_NAMEDIZACE-pamTRADE_NAMEE-PamLA IIIRESEARCH_CODELA IIILA-IIIRESEARCH_CODELA-IIILibervantOTHERLIBERVANTLibervantTRADE_NAMELIBERVANTNrl-1OTHERNRL-1NRL-1RESEARCH_CODENRL-1NSC-169897RESEARCH_CODENSC-169897NSC-77518RESEARCH_CODENSC-77518PaxelTRADE_NAMEPaxelQ-pamTRADE_NAMEQ-PAMRelaniumTRADE_NAMERelaniumRO 5-2807RESEARCH_CODERO 5-2807RO-5-2807RESEARCH_CODERO-5-2807RO-52807RESEARCH_CODERO-52807ScriptopamTRADE_NAMEScriptopamSerenackTRADE_NAMESerenackServizepamOTHERSERVIZEPAMSolisTRADE_NAMESOLISStesolidTRADE_NAMESTESOLIDTensiumTRADE_NAMETENSIUMTranimulTRADE_NAMETranimulTranquaseOTHERTRANQUASEValclairTRADE_NAMEVALCLAIRValiumTRADE_NAMEVALIUMValreleaseTRADE_NAMEVALRELEASEValtocoTRADE_NAMEVALTOCOVivolTRADE_NAMEVivolWY-3467RESEARCH_CODEWY-3467Small molecule1TrueTrueDIAZEPAMMOLTrueTrue-azepamantianxiety agents (diazepam type)-azepam1963C07AB021119784.0CHEMBL13CHEMBL13CHEMBL13CHEMBL131.611C15H25NO3267.374219267.37-0.3850.720.71N9COCCc1ccc(OCC(O)CNC(C)C)cc1 RDKit 2D 19 19 0 0 1 0 0 0 0 0999 V2000 -1.6688 -6.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0978 -5.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -7.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5267 -6.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9544 -6.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4746 -7.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9544 -7.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2399 -6.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2399 -7.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4746 -6.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1891 -7.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -6.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0978 -6.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9035 -7.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8122 -6.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2412 -6.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3325 -7.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9557 -6.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2412 -7.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 1 12 1 0 2 13 1 0 3 14 1 0 3 17 1 0 4 15 1 0 4 16 1 0 5 7 2 0 5 8 1 0 6 9 2 0 6 10 1 0 6 11 1 0 7 9 1 0 8 10 2 0 11 14 1 0 12 13 1 0 13 15 1 0 16 18 1 0 16 19 1 0 M END > <chembl_id> CHEMBL13 > <chembl_pref_name> METOPROLOLInChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3IUBSYMUCCVWXPE-UHFFFAOYSA-NBeatrololOTHERBEATROLOLCGP-2175RESEARCH_CODECGP-2175Dl-metoprololOTHERDL-METOPROLOLH-93/26RESEARCH_CODEH-93/26LopressidoneOTHERLopressidoneMetoprololATCMETOPROLOLMetoprololBANMETOPROLOLMetoprololINNMETOPROLOLMetoprololMERCK_INDEXMETOPROLOLMetoprololOTHERMETOPROLOLMetoprololUSANMETOPROLOLMetoprolol slow releaseOTHERMETOPROLOL SLOW RELEASE(rs)-metoprololOTHER(RS)-METOPROLOLSerokenOTHERSEROKENSmall molecule1TrueTrueMETOPROLOLMOLTrue-ololbeta-blockers (propranolol type)-olol1976G03CB02G03CC05L02AA012True19734.0CHEMBL411CHEMBL411CHEMBL411CHEMBL4114.832C18H20O2268.362220268.360.2440.460.78N4CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 RDKit 2D 20 21 0 0 0 0 0 0 0 0999 V2000 4.7750 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -3.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -6.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 3 2 0 6 3 1 0 7 4 2 0 8 4 1 0 9 14 1 0 10 12 1 0 11 7 1 0 12 8 2 0 13 5 1 0 14 6 2 0 15 1 1 0 16 2 1 0 17 9 1 0 18 10 1 0 19 15 1 0 20 16 1 0 9 13 2 0 10 11 2 0 M END > <chembl_id> CHEMBL411 > <chembl_pref_name> DIETHYLSTILBESTROLInChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+RGLYKWWBQGJZGM-ISLYRVAYSA-NApstilTRADE_NAMEAPSTILDiethylstilbestrolATCDIETHYLSTILBESTROLDiethylstilbestrolBNFDIETHYLSTILBESTROLDiethylstilbestrolFDADIETHYLSTILBESTROLDiethylstilbestrolINNDIETHYLSTILBESTROLDiethylstilbestrolMERCK_INDEXDIETHYLSTILBESTROLDiethylstilbestrolOTHERDIETHYLSTILBESTROLDiethylstilbestrolTRADE_NAMEDIETHYLSTILBESTROLDietilestilbestrolINN_SPANISHDIETILESTILBESTROLDistilbeneTRADE_NAMEDISTILBENENSC-3070RESEARCH_CODENSC-3070StilbestroOTHERSTILBESTROStilbestrolTRADE_NAMESTILBESTROLStilbetinTRADE_NAMESTILBETINStilboesterolTRADE_NAMEStilboesterolTampovaganTRADE_NAMETAMPOVAGANSmall molecule1TrueTrueDIETHYLSTILBESTROLMOLTrueTrue-estr-estrogens-estr-20/chembl/api/data/molecule?limit=20&offset=20&max_phase=44005