data/Carcinogenicity-Rat_(TD50).json


1

{"species":"Rat (TD50)","endpoint":"Carcinogenicity","source":"https://pubchem.ncbi.nlm.nih.gov/bioassay/1208","unit":"mmol/kg-bw/day","qmrf":{"group":"QMRF 4.12. Carcinogenicity","name":"OECD 451 Carcinogenicity Studies"},"warnings":["Ignoring CID 5324279/ SMILES CC=NO, because PubChem activity is ''.","Ignoring CID 1989/ SMILES CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2, because PubChem activity is ''.","Ignoring CID 6342/ SMILES CC#N, because PubChem activity is ''.","Ignoring CID 34209/ SMILES CC(=O)NC1=CC=CC2=C1CC3=CC=CC=C32, because PubChem activity is ''.","Ignoring CID 34210/ SMILES CC(=O)NC1=CC=CC2=C1C3=CC=CC=C3C2, because PubChem activity is ''.","Ignoring CID 2018/ SMILES CC(=O)NC1=CC=C(C=C1)CC(=O)O, because PubChem activity is ''.","Ignoring CID 12035/ SMILES CC(=O)NC(CS)C(=O)O, because PubChem activity is ''.","Ignoring CID 7847/ SMILES C=CC=O, because PubChem activity is ''.","Ignoring CID 62477/ SMILES CCOC(C=C)OCC, because PubChem activity is ''.","Ignoring CID 9577004/ SMILES C=CC=NO, because PubChem activity is ''.","Ignoring CID 6581/ SMILES C=CC(=O)O, because PubChem activity is ''.","Ignoring CID 5284337/ SMILES CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(C=CC(=C5O4)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)N)C)C(C)C)C)C, because PubChem activity is ''.","Ignoring CID 12364/ SMILES C(CCC(=O)N)CC(=O)N, because PubChem activity is ''.","Ignoring CID 14421/ SMILES COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1, because PubChem activity is ''.","Ignoring CID 30951/ SMILES C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl, because PubChem activity is ''.","Ignoring CID 9570071/ SMILES CC(C)(C=NOC(=O)NC)SC, because PubChem activity is ''.","Ignoring CID 24860538/ SMILES C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 23691965/ SMILES CCCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+], because PubChem activity is ''.","Ignoring CID 62452/ SMILES CCCCCCCCCC[N+](C)(C)[O-], because PubChem activity is ''.","Ignoring CID 204/ SMILES C1(C(=O)NC(=O)N1)NC(=O)N, because PubChem activity is ''.","Ignoring CID 7858/ SMILES C=CCO, because PubChem activity is ''.","Ignoring CID 7850/ SMILES C=CCCl, because PubChem activity is ''.","Ignoring CID 7838/ SMILES C=CCOCC1CO1, because PubChem activity is ''.","Ignoring CID 24856/ SMILES [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+], because PubChem activity is ''.","Ignoring CID 28207/ SMILES CCOC1=C(C=C(C=C1)NC(=O)C)N, because PubChem activity is ''.","Ignoring CID 8588/ SMILES CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31, because PubChem activity is ''.","Ignoring CID 84048/ SMILES C1=CC=C(C=C1)C2C(=O)N=C(O2)N.[OH-].[OH-].[Mg+2], because PubChem activity is ''.","Ignoring CID 564/ SMILES C(CCC(=O)O)CCN, because PubChem activity is ''.","Ignoring CID 93296/ SMILES C1=CC(=CC=C1N)N(CCO)CCO.OS(=O)(=O)O, because PubChem activity is ''.","Ignoring CID 5284342/ SMILES C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+], because PubChem activity is ''.","Ignoring CID 2164/ SMILES CCC1(C(=O)NC(=O)NC1=O)CCC(C)C, because PubChem activity is ''.","Ignoring CID 6055/ SMILES CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.OS(=O)(=O)O, because PubChem activity is ''.","Ignoring CID 23565/ SMILES CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.O.O.O, because PubChem activity is ''.","Ignoring CID 637563/ SMILES CC=CC1=CC=C(C=C1)OC, because PubChem activity is ''.","Ignoring CID 7541/ SMILES C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 6115/ SMILES C1=CC=C(C=C1)N, because PubChem activity is ''.","Ignoring CID 2734956/ SMILES COC1=CC=C(C=C1)N.Cl, because PubChem activity is ''.","Ignoring CID 227/ SMILES C1=CC=C(C(=C1)C(=O)O)N, because PubChem activity is ''.","Ignoring CID 154914/ SMILES COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+], because PubChem activity is ''.","Ignoring CID 38037/ SMILES C1=CC(=CC(=C1)Cl)C2=CC(=CC(=C2)Cl)Cl, because PubChem activity is ''.","Ignoring CID 63103/ SMILES C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=C(C=C2)Cl)Cl, because PubChem activity is ''.","Ignoring CID 40470/ SMILES C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 38018/ SMILES C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 23677060/ SMILES O[As](=O)(O)[O-].[Na+], because PubChem activity is ''.","Ignoring CID 443495/ SMILES [O-][As]=O.[Na+], because PubChem activity is ''.","Ignoring CID 23424000/ SMILES C(C(C1C(=C(C(=O)O1)O)[O-])O)O.[Na+], because PubChem activity is ''.","Ignoring CID 54670067/ SMILES C(C(C1C(=C(C(=O)O1)O)O)O)O, because PubChem activity is ''.","Ignoring CID 134601/ SMILES COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N, because PubChem activity is ''.","Ignoring CID 2244/ SMILES CC(=O)OC1=CC=CC=C1C(=O)O, because PubChem activity is ''.","Ignoring CID 2247/ SMILES COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F, because PubChem activity is ''.","Ignoring CID 119274/ SMILES CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O.Cl, because PubChem activity is ''.","Ignoring CID 174174/ SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3, because PubChem activity is ''.","Ignoring CID 65114/ SMILES C1=NN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O, because PubChem activity is ''.","Ignoring CID 2265/ SMILES CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-], because PubChem activity is ''.","Could not retrieve SMILES for CID '5324279', all entries are ignored.","Could not retrieve SMILES for CID '1989', all entries are ignored.","Could not retrieve SMILES for CID '6342', all entries are ignored.","Could not retrieve SMILES for CID '34209', all entries are ignored.","Could not retrieve SMILES for CID '34210', all entries are ignored.","Could not retrieve SMILES for CID '2018', all entries are ignored.","Could not retrieve SMILES for CID '12035', all entries are ignored.","Could not retrieve SMILES for CID '7847', all entries are ignored.","Could not retrieve SMILES for CID '62477', all entries are ignored.","Could not retrieve SMILES for CID '9577004', all entries are ignored.","Could not retrieve SMILES for CID '6581', all entries are ignored.","Could not retrieve SMILES for CID '5284337', all entries are ignored.","Could not retrieve SMILES for CID '12364', all entries are ignored.","Could not retrieve SMILES for CID '14421', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '30951', all entries are ignored.","Could not retrieve SMILES for CID '9570071', all entries are ignored.","Could not retrieve SMILES for CID '24860538', all entries are ignored.","Could not retrieve SMILES for CID '23691965', all entries are ignored.","Could not retrieve SMILES for CID '62452', all entries are ignored.","Could not retrieve SMILES for CID '204', all entries are ignored.","Could not retrieve SMILES for CID '7858', all entries are ignored.","Could not retrieve SMILES for CID '7850', all entries are ignored.","Could not retrieve SMILES for CID '7838', all entries are ignored.","Could not retrieve SMILES for CID '24856', all entries are ignored.","Could not retrieve SMILES for CID '28207', all entries are ignored.","Could not retrieve SMILES for CID '8588', all entries are ignored.","Could not retrieve SMILES for CID '84048', all entries are ignored.","Could not retrieve SMILES for CID '564', all entries are ignored.","Could not retrieve SMILES for CID '93296', all entries are ignored.","Could not retrieve SMILES for CID '5284342', all entries are ignored.","Could not retrieve SMILES for CID '2164', all entries are ignored.","Could not retrieve SMILES for CID '6055', all entries are ignored.","Could not retrieve SMILES for CID '23565', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '637563', all entries are ignored.","Could not retrieve SMILES for CID '7541', all entries are ignored.","Could not retrieve SMILES for CID '6115', all entries are ignored.","Could not retrieve SMILES for CID '2734956', all entries are ignored.","Could not retrieve SMILES for CID '227', all entries are ignored.","Could not retrieve SMILES for CID '154914', all entries are ignored.","Could not retrieve SMILES for CID '38037', all entries are ignored.","Could not retrieve SMILES for CID '63103', all entries are ignored.","Could not retrieve SMILES for CID '40470', all entries are ignored.","Could not retrieve SMILES for CID '38018', all entries are ignored.","Could not retrieve SMILES for CID '23677060', all entries are ignored.","Could not retrieve SMILES for CID '443495', all entries are ignored.","Could not retrieve SMILES for CID '23424000', all entries are ignored.","Could not retrieve SMILES for CID '54670067', all entries are ignored.","Could not retrieve SMILES for CID '134601', all entries are ignored.","Could not retrieve SMILES for CID '2244', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '2247', all entries are ignored.","Could not retrieve SMILES for CID '119274', all entries are ignored.","Could not retrieve SMILES for CID '174174', all entries are ignored.","Could not retrieve SMILES for CID '65114', all entries are ignored.","Could not retrieve SMILES for CID '2265', all entries are ignored.","Ignoring CID 65948/ SMILES CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C, because PubChem activity is ''.","Ignoring CID 33557/ SMILES [N-]=[N+]=[N-].[Na+], because PubChem activity is ''.","Ignoring CID 2268/ SMILES COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1, because PubChem activity is ''.","Ignoring CID 6211/ SMILES C1C(=O)NC(=O)NC1=O, because PubChem activity is ''.","Ignoring CID 10980/ SMILES CC(=O)[O-].CC(=O)[O-].[Ba+2], because PubChem activity is ''.","Ignoring CID 5284346/ SMILES O.O.[Cl-].[Cl-].[Ba+2], because PubChem activity is ''.","Ignoring CID 6109982/ SMILES C1=CC(=CC=C1C(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O, because PubChem activity is ''.","Ignoring CID 240/ SMILES C1=CC=C(C=C1)C=O, because PubChem activity is ''.","Ignoring CID 517055/ SMILES C1=CC=C(C=C1)C(=O)[O-].[Na+], because PubChem activity is ''.","Ignoring CID 7064/ SMILES C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N, because PubChem activity is ''.","Ignoring CID 243/ SMILES C1=CC=C(C=C1)C(=O)O, because PubChem activity is ''.","Ignoring CID 8400/ SMILES C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O, because PubChem activity is ''.","Ignoring CID 7220/ SMILES C1=CC2=NNN=C2C=C1, because PubChem activity is ''.","Ignoring CID 8785/ SMILES CC(=O)OCC1=CC=CC=C1, because PubChem activity is ''.","Ignoring CID 244/ SMILES C1=CC=C(C=C1)CO, because PubChem activity is ''.","Ignoring CID 7503/ SMILES C1=CC=C(C=C1)CCl, because PubChem activity is ''.","Ignoring CID 8425/ SMILES C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O, because PubChem activity is ''.","Ignoring CID 2346/ SMILES C1=CC=C(C=C1)CN=C=S, because PubChem activity is ''.","Ignoring CID 18170/ SMILES C1=CC=C(C=C1)CSC#N, because PubChem activity is ''.","Ignoring CID 26077/ SMILES [Be+2].[O-]S(=O)(=O)[O-], because PubChem activity is ''.","Ignoring CID 5284347/ SMILES C1=CC=C(C=C1)C2=CC=CC=C2N.Cl, because PubChem activity is ''.","Ignoring CID 16682746/ SMILES CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC, because PubChem activity is ''.","Ignoring CID 7944/ SMILES CC(CCl)OC(C)CCl, because PubChem activity is ''.","Ignoring CID 5382/ SMILES C1=CC(=CC=C1OC2=C(C=C(C=N2)Cl)Cl)OC3=C(C=C(C=N3)Cl)Cl, because PubChem activity is ''.","Ignoring CID 42648/ SMILES C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N(CCO)CCO, because PubChem activity is ''.","Ignoring CID 8086/ SMILES CC(CNCC(C)O)O, because PubChem activity is ''.","Ignoring CID 6328152/ SMILES O=[Bi].Cl, because PubChem activity is ''.","Ignoring CID 6623/ SMILES CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O, because PubChem activity is ''.","Ignoring CID 5359750/ SMILES CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=NNC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+], because PubChem activity is ''.","Ignoring CID 19700/ SMILES CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+], because PubChem activity is ''.","Ignoring CID 5284351/ SMILES C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])N2.[Na+].[Na+], because PubChem activity is ''.","Ignoring CID 36383/ SMILES C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCO, because PubChem activity is ''.","Ignoring CID 8133/ SMILES CCCCOCCO, because PubChem activity is ''.","Ignoring CID 8005/ SMILES CCCCCl, because PubChem activity is ''.","Ignoring CID 6929/ SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO, because PubChem activity is ''.","Ignoring CID 17004/ SMILES CC1=CC(=C(C=C1)O)C(C)(C)C, because PubChem activity is ''.","Ignoring CID 9570281/ SMILES CCCCN(C(=N[N+](=O)[O-])N)N=O, because PubChem activity is ''.","Ignoring CID 31404/ SMILES CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C, because PubChem activity is ''.","Ignoring CID 12902/ SMILES CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C, because PubChem activity is ''.","Ignoring CID 7393/ SMILES CC(C)(C)C1=CC=C(C=C1)O, because PubChem activity is ''.","Ignoring CID 11595/ SMILES CCCCNC(=O)N, because PubChem activity is ''.","Ignoring CID 7302/ SMILES C1CC(=O)OC1, because PubChem activity is ''.","Ignoring CID 10986/ SMILES CC(=O)[O-].CC(=O)[O-].[Cd+2], because PubChem activity is ''.","Ignoring CID 5284356/ SMILES O.[Cl-].[Cl-].[Cd+2], because PubChem activity is ''.","Ignoring CID 16211218/ SMILES O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cd+2].[Cd+2].[Cd+2], because PubChem activity is ''.","Ignoring CID 2519/ SMILES CN1C=NC2=C1C(=O)N(C(=O)N2C)C, because PubChem activity is ''.","Ignoring CID 6116/ SMILES CC(=O)[O-].CC(=O)[O-].[Ca+2], because PubChem activity is ''.","Ignoring CID 5284359/ SMILES [Cl-].[Cl-].[Ca+2], because PubChem activity is ''.","Ignoring CID 13144/ SMILES CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2], because PubChem activity is ''.","Ignoring CID 5284360/ SMILES CN(C)C(=O)COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)O, because PubChem activity is ''.","Ignoring CID 2540/ SMILES CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6, because PubChem activity is ''.","Ignoring CID 7768/ SMILES C1CCC(=O)NCC1, because PubChem activity is ''.","Ignoring CID 8480/ SMILES C1=CC(=CC=C1NC(=O)N)[As](=O)(O)O, because PubChem activity is ''.","Ignoring CID 6488/ SMILES CCC(CC)(C(=O)NC(=O)N)Br, because PubChem activity is ''.","Ignoring CID 5280489/ SMILES CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C, because PubChem activity is ''.","Could not retrieve SMILES for CID '65948', all entries are ignored.","Could not retrieve SMILES for CID '33557', all entries are ignored.","Could not retrieve SMILES for CID '2268', all entries are ignored.","Could not retrieve SMILES for CID '6211', all entries are ignored.","Could not retrieve SMILES for CID '10980', all entries are ignored.","Could not retrieve SMILES for CID '5284346', all entries are ignored.","Could not retrieve SMILES for CID '6109982', all entries are ignored.","Could not retrieve SMILES for CID '240', all entries are ignored.","Could not retrieve SMILES for CID '517055', all entries are ignored.","Could not retrieve SMILES for CID '7064', all entries are ignored.","Could not retrieve SMILES for CID '243', all entries are ignored.","Could not retrieve SMILES for CID '8400', all entries are ignored.","Could not retrieve SMILES for CID '7220', all entries are ignored.","Could not retrieve SMILES for CID '8785', all entries are ignored.","Could not retrieve SMILES for CID '244', all entries are ignored.","Could not retrieve SMILES for CID '7503', all entries are ignored.","Could not retrieve SMILES for CID '8425', all entries are ignored.","Could not retrieve SMILES for CID '2346', all entries are ignored.","Could not retrieve SMILES for CID '18170', all entries are ignored.","Could not retrieve SMILES for CID '26077', all entries are ignored.","Could not retrieve SMILES for CID '5284347', all entries are ignored.","Could not retrieve SMILES for CID '16682746', all entries are ignored.","Could not retrieve SMILES for CID '7944', all entries are ignored.","Could not retrieve SMILES for CID '5382', all entries are ignored.","Could not retrieve SMILES for CID '42648', all entries are ignored.","Could not retrieve SMILES for CID '8086', all entries are ignored.","Could not retrieve SMILES for CID '6328152', all entries are ignored.","Could not retrieve SMILES for CID '6623', all entries are ignored.","Could not retrieve SMILES for CID '5359750', all entries are ignored.","Could not retrieve SMILES for CID '19700', all entries are ignored.","Could not retrieve SMILES for CID '5284351', all entries are ignored.","Could not retrieve SMILES for CID '36383', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '8133', all entries are ignored.","Could not retrieve SMILES for CID '8005', all entries are ignored.","Could not retrieve SMILES for CID '6929', all entries are ignored.","Could not retrieve SMILES for CID '17004', all entries are ignored.","Could not retrieve SMILES for CID '9570281', all entries are ignored.","Could not retrieve SMILES for CID '31404', all entries are ignored.","Could not retrieve SMILES for CID '12902', all entries are ignored.","Could not retrieve SMILES for CID '7393', all entries are ignored.","Could not retrieve SMILES for CID '11595', all entries are ignored.","Could not retrieve SMILES for CID '7302', all entries are ignored.","Could not retrieve SMILES for CID '10986', all entries are ignored.","Could not retrieve SMILES for CID '5284356', all entries are ignored.","Could not retrieve SMILES for CID '16211218', all entries are ignored.","Could not retrieve SMILES for CID '2519', all entries are ignored.","Could not retrieve SMILES for CID '6116', all entries are ignored.","Could not retrieve SMILES for CID '5284359', all entries are ignored.","Could not retrieve SMILES for CID '13144', all entries are ignored.","Could not retrieve SMILES for CID '5284360', all entries are ignored.","Could not retrieve SMILES for CID '2540', all entries are ignored.","Could not retrieve SMILES for CID '7768', all entries are ignored.","Could not retrieve SMILES for CID '8480', all entries are ignored.","Could not retrieve SMILES for CID '6488', all entries are ignored.","Could not retrieve SMILES for CID '5280489', all entries are ignored.","Ignoring CID 2662/ SMILES CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F, because PubChem activity is ''.","Ignoring CID 2663/ SMILES CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C, because PubChem activity is ''.","Ignoring CID 83927/ SMILES CC1OC2(CN3CCC2CC3)CS1.CC1OC2(CN3CCC2CC3)CS1.O.Cl.Cl, because PubChem activity is ''.","Ignoring CID 2707/ SMILES C(C(Cl)(Cl)Cl)(O)O, because PubChem activity is ''.","Ignoring CID 8630/ SMILES C1=C(C=C(C(=C1N)Cl)C(=O)O)Cl, because PubChem activity is ''.","Ignoring CID 5959/ SMILES C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 24860539/ SMILES C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 5284361/ SMILES CCC(CCC(C(CC(C(C(CCl)Cl)Cl)Cl)Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 5284362/ SMILES CCCC(CCC(CCC(CCC(CCC(CCC(CCC(C)Cl)Cl)Cl)Cl)Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 24526/ SMILES ClCl, because PubChem activity is ''.","Ignoring CID 6/ SMILES C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl, because PubChem activity is ''.","Ignoring CID 6945/ SMILES C1=CC=C(C(=C1)[N+](=O)[O-])Cl, because PubChem activity is ''.","Ignoring CID 7474/ SMILES C1=CC(=CC=C1[N+](=O)[O-])Cl, because PubChem activity is ''.","Ignoring CID 22584/ SMILES C1=CC(=C(C=C1N)Cl)N.OS(=O)(=O)O, because PubChem activity is ''.","Ignoring CID 31370/ SMILES CC(CCl)O, because PubChem activity is ''.","Ignoring CID 7255/ SMILES CC1=C(C=C(C=C1)N)Cl, because PubChem activity is ''.","Ignoring CID 7260/ SMILES CC1=C(C=C(C=C1)Cl)N, because PubChem activity is ''.","Ignoring CID 18487/ SMILES CC1=C(C=CC(=C1)Cl)N.Cl, because PubChem activity is ''.","Ignoring CID 10757/ SMILES C1=CC=C(C=C1)C(=O)CCl, because PubChem activity is ''.","Ignoring CID 8805/ SMILES CC(=O)NC1=CC=C(C=C1)C(=O)CCl, because PubChem activity is ''.","Ignoring CID 7812/ SMILES C1=CC(=CC=C1N)Cl, because PubChem activity is ''.","Ignoring CID 17604/ SMILES C1=CC=C(C(=C1)C=C(C#N)C#N)Cl, because PubChem activity is ''.","Ignoring CID 10522/ SMILES CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O, because PubChem activity is ''.","Ignoring CID 31296/ SMILES C(Cl)(Br)Br, because PubChem activity is ''.","Ignoring CID 6372/ SMILES C(F)(F)Cl, because PubChem activity is ''.","Ignoring CID 6337/ SMILES CCCl, because PubChem activity is ''.","Ignoring CID 13836/ SMILES C[N+](C)(C)CCCl.[Cl-], because PubChem activity is ''.","Ignoring CID 23392/ SMILES C1=CC=NC(=C1)CCl.Cl, because PubChem activity is ''.","Ignoring CID 119175/ SMILES CC1C2=NN=C(N2C3=C(C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=N1)C5=CC=CC=C5Cl)C, because PubChem activity is ''.","Ignoring CID 16685/ SMILES C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 6423/ SMILES C([N+](=O)[O-])(Cl)(Cl)Cl, because PubChem activity is ''.","Ignoring CID 17822/ SMILES C(C(F)(F)F)(F)Cl, because PubChem activity is ''.","Ignoring CID 5284366/ SMILES C[NH+](C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)[O-])C(=O)O, because PubChem activity is ''.","Ignoring CID 2727/ SMILES CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl, because PubChem activity is ''.","Ignoring CID 6209/ SMILES C[N+](C)(C)CCO.[Cl-], because PubChem activity is ''.","Ignoring CID 517277/ SMILES O=[Cr]O[Cr]=O, because PubChem activity is ''.","Ignoring CID 14012/ SMILES CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cr+3], because PubChem activity is ''.","Ignoring CID 2756/ SMILES CC1=C(N=CN1)CSCCNC(=NC)NC#N, because PubChem activity is ''.","Ignoring CID 637511/ SMILES C1=CC=C(C=C1)C=CC=O, because PubChem activity is ''.","Ignoring CID 638011/ SMILES CC(=CCCC(=CC=O)C)C, because PubChem activity is ''.","Ignoring CID 311/ SMILES C(C(=O)O)C(CC(=O)O)(C(=O)O)O, because PubChem activity is ''.","Ignoring CID 71697/ SMILES CC(C)(C(=O)O)OCC1=CC=C(C=C1)C2=CC=C(C=C2)Cl, because PubChem activity is ''.","Ignoring CID 14992/ SMILES C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N, because PubChem activity is ''.","Ignoring CID 16307/ SMILES C1=CC(=CC(=C1)Cl)C2=CC(=CC=C2)Cl, because PubChem activity is ''.","Ignoring CID 5284371/ SMILES CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O, because PubChem activity is ''.","Ignoring CID 220401/ SMILES CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC, because PubChem activity is ''.","Ignoring CID 63257/ SMILES CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC(=CC=C3)O, because PubChem activity is ''.","Ignoring CID 2871/ SMILES CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C, because PubChem activity is ''.","Ignoring CID 10005/ SMILES C(#N)N=C(N)N, because PubChem activity is ''.","Ignoring CID 23665706/ SMILES C1CCC(CC1)NS(=O)(=O)[O-].[Na+], because PubChem activity is ''.","Ignoring CID 25051/ SMILES C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N, because PubChem activity is ''.","Ignoring CID 444041/ SMILES C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O, because PubChem activity is ''.","Ignoring CID 7967/ SMILES C1CCC(=O)CC1, because PubChem activity is ''.","Ignoring CID 2723770/ SMILES C1CCC(CC1)N.Cl, because PubChem activity is ''.","Ignoring CID 88275/ SMILES C1CCC(CC1)N.OS(=O)(=O)O, because PubChem activity is ''.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '2662', all entries are ignored.","Could not retrieve SMILES for CID '2663', all entries are ignored.","Could not retrieve SMILES for CID '83927', all entries are ignored.","Could not retrieve SMILES for CID '2707', all entries are ignored.","Could not retrieve SMILES for CID '8630', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '5959', all entries are ignored.","Could not retrieve SMILES for CID '24860539', all entries are ignored.","Could not retrieve SMILES for CID '5284361', all entries are ignored.","Could not retrieve SMILES for CID '5284362', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '24526', all entries are ignored.","Could not retrieve SMILES for CID '6', all entries are ignored.","Could not retrieve SMILES for CID '6945', all entries are ignored.","Could not retrieve SMILES for CID '7474', all entries are ignored.","Could not retrieve SMILES for CID '22584', all entries are ignored.","Could not retrieve SMILES for CID '31370', all entries are ignored.","Could not retrieve SMILES for CID '7255', all entries are ignored.","Could not retrieve SMILES for CID '7260', all entries are ignored.","Could not retrieve SMILES for CID '18487', all entries are ignored.","Could not retrieve SMILES for CID '10757', all entries are ignored.","Could not retrieve SMILES for CID '8805', all entries are ignored.","Could not retrieve SMILES for CID '7812', all entries are ignored.","Could not retrieve SMILES for CID '17604', all entries are ignored.","Could not retrieve SMILES for CID '10522', all entries are ignored.","Could not retrieve SMILES for CID '31296', all entries are ignored.","Could not retrieve SMILES for CID '6372', all entries are ignored.","Could not retrieve SMILES for CID '6337', all entries are ignored.","Could not retrieve SMILES for CID '13836', all entries are ignored.","Could not retrieve SMILES for CID '23392', all entries are ignored.","Could not retrieve SMILES for CID '119175', all entries are ignored.","Could not retrieve SMILES for CID '16685', all entries are ignored.","Could not retrieve SMILES for CID '6423', all entries are ignored.","Could not retrieve SMILES for CID '17822', all entries are ignored.","Could not retrieve SMILES for CID '5284366', all entries are ignored.","Could not retrieve SMILES for CID '2727', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '6209', all entries are ignored.","Could not retrieve SMILES for CID '517277', all entries are ignored.","Could not retrieve SMILES for CID '14012', all entries are ignored.","Could not retrieve SMILES for CID '2756', all entries are ignored.","Could not retrieve SMILES for CID '637511', all entries are ignored.","Could not retrieve SMILES for CID '638011', all entries are ignored.","Could not retrieve SMILES for CID '311', all entries are ignored.","Could not retrieve SMILES for CID '71697', all entries are ignored.","Could not retrieve SMILES for CID '14992', all entries are ignored.","Could not retrieve SMILES for CID '16307', all entries are ignored.","Could not retrieve SMILES for CID '5284371', all entries are ignored.","Could not retrieve SMILES for CID '220401', all entries are ignored.","Could not retrieve SMILES for CID '63257', all entries are ignored.","Could not retrieve SMILES for CID '2871', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '10005', all entries are ignored.","Could not retrieve SMILES for CID '23665706', all entries are ignored.","Could not retrieve SMILES for CID '25051', all entries are ignored.","Could not retrieve SMILES for CID '444041', all entries are ignored.","Could not retrieve SMILES for CID '7967', all entries are ignored.","Could not retrieve SMILES for CID '2723770', all entries are ignored.","Could not retrieve SMILES for CID '88275', all entries are ignored.","Ignoring CID 5284373/ SMILES CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C, because PubChem activity is ''.","Ignoring CID 60960/ SMILES C(C(C(=O)O)N)S.Cl, because PubChem activity is ''.","Ignoring CID 6294/ SMILES C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 3035/ SMILES C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl, because PubChem activity is ''.","Ignoring CID 189821/ SMILES CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)COC(=O)C, because PubChem activity is ''.","Ignoring CID 40585/ SMILES CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C, because PubChem activity is ''.","Ignoring CID 8550/ SMILES COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC, because PubChem activity is ''.","Ignoring CID 5743/ SMILES CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C, because PubChem activity is ''.","Ignoring CID 8560/ SMILES C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C, because PubChem activity is ''.","Ignoring CID 5284377/ SMILES C1=CC(=C(C=C1N)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[Na+].[Na+], because PubChem activity is ''.","Ignoring CID 8715/ SMILES C1=CC(=C(C=C1N)N)O.Cl.Cl, because PubChem activity is ''.","Ignoring CID 27324/ SMILES CC1=C(C=CC=C1N)N.Cl.Cl, because PubChem activity is ''.","Ignoring CID 22856/ SMILES CC1=C(C=CC(=C1)N)N.OS(=O)(=O)O, because PubChem activity is ''.","Ignoring CID 3016/ SMILES CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3, because PubChem activity is ''.","Ignoring CID 3017/ SMILES CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C, because PubChem activity is ''.","Ignoring CID 9216/ SMILES C1=CC=C2C(=C1)OC3=CC=CC=C3O2, because PubChem activity is ''.","Ignoring CID 3036234/ SMILES CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C.Cl, because PubChem activity is ''.","Ignoring CID 154903/ SMILES C1=CC2=C(C=C(C=C2N=C1)Br)Br, because PubChem activity is ''.","Ignoring CID 16682740/ SMILES CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C, because PubChem activity is ''.","Ignoring CID 11860/ SMILES C1=C(C=C(C(=C1Cl)N)Cl)N, because PubChem activity is ''.","Ignoring CID 7239/ SMILES C1=CC=C(C(=C1)Cl)Cl, because PubChem activity is ''.","Ignoring CID 36613/ SMILES C1=CC2=C(C=C1Cl)OC3=C(O2)C=C(C=C3)Cl, because PubChem activity is ''.","Ignoring CID 6391/ SMILES C(F)(F)(Cl)Cl, because PubChem activity is ''.","Ignoring CID 6625/ SMILES C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl, because PubChem activity is ''.","Ignoring CID 6365/ SMILES CC(Cl)Cl, because PubChem activity is ''.","Ignoring CID 8449/ SMILES C1=CC(=C(C=C1Cl)Cl)O, because PubChem activity is ''.","Ignoring CID 1486/ SMILES C1=CC(=C(C=C1Cl)Cl)OCC(=O)O, because PubChem activity is ''.","Ignoring CID 6564/ SMILES CC(CCl)Cl, because PubChem activity is ''.","Ignoring CID 8268/ SMILES C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl, because PubChem activity is ''.","Ignoring CID 727200/ SMILES C1CCC(CC1)NC(=S)NC2CCCCC2, because PubChem activity is ''.","Ignoring CID 6673/ SMILES C1C2C3CC4C(C3C1C5C2O5)O4, because PubChem activity is ''.","Ignoring CID 969491/ SMILES C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 557083/ SMILES C12C3C(C4C1C5(C(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6C2O6, because PubChem activity is ''.","Ignoring CID 11254/ SMILES C1C(O1)C2CO2, because PubChem activity is ''.","Ignoring CID 4284/ SMILES CCN(CC)C(=O)C1=CC(=CC=C1)C, because PubChem activity is ''.","Ignoring CID 2730/ SMILES CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 16768/ SMILES CCC(CC)C(=O)NC(=O)N, because PubChem activity is ''.","Ignoring CID 636417/ SMILES CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl, because PubChem activity is ''.","Ignoring CID 12051/ SMILES CCN(CC)C=O, because PubChem activity is ''.","Ignoring CID 5271566/ SMILES CCOC(=O)C=CC(=O)OCC, because PubChem activity is ''.","Ignoring CID 3009/ SMILES C(CC(C(F)F)(C(=O)O)N)CN, because PubChem activity is ''.","Ignoring CID 99681/ SMILES C1N=C(NC(=O)N1C2C(C(C(O2)CO)O)O)N, because PubChem activity is ''.","Ignoring CID 5283748/ SMILES CC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C, because PubChem activity is ''.","Ignoring CID 590836/ SMILES CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C, because PubChem activity is ''.","Ignoring CID 636407/ SMILES CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O.Cl, because PubChem activity is ''.","Ignoring CID 3081/ SMILES CC1(C(=O)NC(=O)O1)C, because PubChem activity is ''.","Ignoring CID 3082/ SMILES CNC(=O)CSP(=S)(OC)OC, because PubChem activity is ''.","Ignoring CID 5284385/ SMILES COC1=CC(=C(C=C1)N)OC.Cl, because PubChem activity is ''.","Could not retrieve SMILES for CID '5284373', all entries are ignored.","Could not retrieve SMILES for CID '60960', all entries are ignored.","Could not retrieve SMILES for CID '6294', all entries are ignored.","Could not retrieve SMILES for CID '3035', all entries are ignored.","Could not retrieve SMILES for CID '189821', all entries are ignored.","Could not retrieve SMILES for CID '40585', all entries are ignored.","Could not retrieve SMILES for CID '8550', all entries are ignored.","Could not retrieve SMILES for CID '5743', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '8560', all entries are ignored.","Could not retrieve SMILES for CID '5284377', all entries are ignored.","Could not retrieve SMILES for CID '8715', all entries are ignored.","Could not retrieve SMILES for CID '27324', all entries are ignored.","Could not retrieve SMILES for CID '22856', all entries are ignored.","Could not retrieve SMILES for CID '3016', all entries are ignored.","Could not retrieve SMILES for CID '3017', all entries are ignored.","Could not retrieve SMILES for CID '9216', all entries are ignored.","Could not retrieve SMILES for CID '3036234', all entries are ignored.","Could not retrieve SMILES for CID '154903', all entries are ignored.","Could not retrieve SMILES for CID '16682740', all entries are ignored.","Could not retrieve SMILES for CID '11860', all entries are ignored.","Could not retrieve SMILES for CID '7239', all entries are ignored.","Could not retrieve SMILES for CID '36613', all entries are ignored.","Could not retrieve SMILES for CID '6391', all entries are ignored.","Could not retrieve SMILES for CID '6625', all entries are ignored.","Could not retrieve SMILES for CID '6365', all entries are ignored.","Could not retrieve SMILES for CID '8449', all entries are ignored.","Could not retrieve SMILES for CID '1486', all entries are ignored.","Could not retrieve SMILES for CID '6564', all entries are ignored.","Could not retrieve SMILES for CID '8268', all entries are ignored.","Could not retrieve SMILES for CID '727200', all entries are ignored.","Could not retrieve SMILES for CID '6673', all entries are ignored.","Could not retrieve SMILES for CID '969491', all entries are ignored.","Could not retrieve SMILES for CID '557083', all entries are ignored.","Could not retrieve SMILES for CID '11254', all entries are ignored.","Could not retrieve SMILES for CID '4284', all entries are ignored.","Could not retrieve SMILES for CID '2730', all entries are ignored.","Could not retrieve SMILES for CID '16768', all entries are ignored.","Could not retrieve SMILES for CID '636417', all entries are ignored.","Could not retrieve SMILES for CID '12051', all entries are ignored.","Could not retrieve SMILES for CID '5271566', all entries are ignored.","Could not retrieve SMILES for CID '3009', all entries are ignored.","Could not retrieve SMILES for CID '99681', all entries are ignored.","Could not retrieve SMILES for CID '5283748', all entries are ignored.","Could not retrieve SMILES for CID '590836', all entries are ignored.","Could not retrieve SMILES for CID '636407', all entries are ignored.","Could not retrieve SMILES for CID '3081', all entries are ignored.","Could not retrieve SMILES for CID '3082', all entries are ignored.","Could not retrieve SMILES for CID '5284385', all entries are ignored.","Ignoring CID 164788/ SMILES COC1=CC(=C2C3=C(CCC3)C(=O)OC2=C1)OC, because PubChem activity is ''.","Ignoring CID 4180030/ SMILES COC1=CC(=C2C(=C1)OC(=O)C3=C2C(=O)CC3)OC, because PubChem activity is ''.","Ignoring CID 135957/ SMILES COC1=CC(=C2C3=C(C(=O)CC3)C(=O)OC2=C1)OC, because PubChem activity is ''.","Ignoring CID 25815/ SMILES CC(=O)NCCSP(=S)(OC)OC, because PubChem activity is ''.","Ignoring CID 77459/ SMILES CN(C(=O)C1=CC=CC=C1C(=O)N(C)N=O)N=O, because PubChem activity is ''.","Ignoring CID 8441/ SMILES COC(=O)C1=CC=C(C=C1)C(=O)OC, because PubChem activity is ''.","Ignoring CID 31374/ SMILES CC(=O)N(C)C, because PubChem activity is ''.","Ignoring CID 14184/ SMILES CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl, because PubChem activity is ''.","Ignoring CID 6896/ SMILES CC1=C(C(=CC=C1)C)N, because PubChem activity is ''.","Ignoring CID 90509/ SMILES CC1(C(=O)NC(=O)NC1=O)C, because PubChem activity is ''.","Ignoring CID 15433/ SMILES CCCCCCCCCCCC[N+](C)(C)[O-], because PubChem activity is ''.","Ignoring CID 6228/ SMILES CN(C)C=O, because PubChem activity is ''.","Ignoring CID 5976/ SMILES CN(C)N, because PubChem activity is ''.","Ignoring CID 2723631/ SMILES CNC(=S)NC, because PubChem activity is ''.","Ignoring CID 147300/ SMILES CC(C)(C)C1=CC(=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 7549/ SMILES C1N2CN(CN1CN(C2)N=O)N=O, because PubChem activity is ''.","Ignoring CID 8461/ SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 8461/ SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 8461/ SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 8461/ SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 6531/ SMILES CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC, because PubChem activity is ''.","Ignoring CID 8980/ SMILES CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl, because PubChem activity is ''.","Ignoring CID 6319/ SMILES C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3, because PubChem activity is ''.","Ignoring CID 1775/ SMILES C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3, because PubChem activity is ''.","Ignoring CID 5101732/ SMILES CCCN(CCC)C1=CC=C(C=C1)N=NC2=CC=[N+](C=C2)[O-], because PubChem activity is ''.","Ignoring CID 6537503/ SMILES CCC(O)OC(CC)O, because PubChem activity is ''.","Ignoring CID 522325/ SMILES CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+], because PubChem activity is ''.","Ignoring CID 20819/ SMILES C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+], because PubChem activity is ''.","Ignoring CID 2724564/ SMILES C(=S)(N)NNC(=S)N, because PubChem activity is ''.","Ignoring CID 2777982/ SMILES C(=S)(C(=S)N)N, because PubChem activity is ''.","Ignoring CID 5284391/ SMILES CCCCCCCCCCCCC(=O)COC1=C(C(=O)OC1C(CO)O)O, because PubChem activity is ''.","Ignoring CID 836/ SMILES C1=CC(=C(C=C1CC(C(=O)O)N)O)O, because PubChem activity is ''.","Ignoring CID 65340/ SMILES C1=CC(=C(C=C1CCN)O)O.Cl, because PubChem activity is ''.","Ignoring CID 38668/ SMILES C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O)F, because PubChem activity is ''.","Ignoring CID 5284392/ SMILES C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.O.[Na+].[Na+].[Na+], because PubChem activity is ''.","Ignoring CID 163838/ SMILES CCO.CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5.Cl, because PubChem activity is ''.","Ignoring CID 5281855/ SMILES C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O, because PubChem activity is ''.","Ignoring CID 3068143/ SMILES CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl.Cl, because PubChem activity is ''.","Ignoring CID 3220/ SMILES CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O, because PubChem activity is ''.","Ignoring CID 3224/ SMILES C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 12358480/ SMILES C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 5359318/ SMILES CC(C(C1=CC=CC=C1)O)NC.CC(C(C1=CC=CC=C1)O)NC.OS(=O)(=O)O, because PubChem activity is ''.","Ignoring CID 441411/ SMILES CNCC(C1=CC(=C(C=C1)O)O)O.Cl, because PubChem activity is ''.","Ignoring CID 54680695/ SMILES C(C(C1C(=C(C(=O)O1)O)O)O)[O-].[Na+], because PubChem activity is ''.","Ignoring CID 5284394/ SMILES CCCCCCCCCCCCCCCCCC(=O)[O-].CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)[NH+](C)C)O)(C)O)C)C)O)(C)O, because PubChem activity is ''.","Ignoring CID 3261/ SMILES C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4, because PubChem activity is ''.","Ignoring CID 31586/ SMILES CC12CCC3C(C1CCC2OC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)CC6=CC=C(C=C6)N(CCCl)CCCl, because PubChem activity is ''.","Ignoring CID 2761171/ SMILES CCC1=NC=CC(=C1)C(=S)N, because PubChem activity is ''.","Ignoring CID 3293/ SMILES CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C, because PubChem activity is ''.","Ignoring CID 92185/ SMILES CCSCC(C(=O)O)N, because PubChem activity is ''.","Ignoring CID 6295/ SMILES CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl, because PubChem activity is ''.","Ignoring CID 6501/ SMILES CCOC(=O)C1C(O1)(C)C2=CC=CC=C2, because PubChem activity is ''.","Ignoring CID 519829/ SMILES CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC, because PubChem activity is ''.","Ignoring CID 150736/ SMILES CCOC1=C(C(=O)OC1C(CO)O)O, because PubChem activity is ''.","Ignoring CID 7833/ SMILES C1CC2C(O2)CC1C3CO3, because PubChem activity is ''.","Ignoring CID 7720/ SMILES CCCCC(CC)CO, because PubChem activity is ''.","Ignoring CID 7641/ SMILES CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC, because PubChem activity is ''.","Could not retrieve SMILES for CID '164788', all entries are ignored.","Could not retrieve SMILES for CID '4180030', all entries are ignored.","Could not retrieve SMILES for CID '135957', all entries are ignored.","Could not retrieve SMILES for CID '25815', all entries are ignored.","Could not retrieve SMILES for CID '77459', all entries are ignored.","Could not retrieve SMILES for CID '8441', all entries are ignored.","Could not retrieve SMILES for CID '31374', all entries are ignored.","Could not retrieve SMILES for CID '14184', all entries are ignored.","Could not retrieve SMILES for CID '6896', all entries are ignored.","Could not retrieve SMILES for CID '90509', all entries are ignored.","Could not retrieve SMILES for CID '15433', all entries are ignored.","Could not retrieve SMILES for CID '6228', all entries are ignored.","Could not retrieve SMILES for CID '5976', all entries are ignored.","Could not retrieve SMILES for CID '2723631', all entries are ignored.","Could not retrieve SMILES for CID '147300', all entries are ignored.","Could not retrieve SMILES for CID '7549', all entries are ignored.","Could not retrieve SMILES for CID '8461', all entries are ignored.","Could not retrieve SMILES for CID '8461', all entries are ignored.","Could not retrieve SMILES for CID '8461', all entries are ignored.","Could not retrieve SMILES for CID '8461', all entries are ignored.","Could not retrieve SMILES for CID '6531', all entries are ignored.","Could not retrieve SMILES for CID '8980', all entries are ignored.","Could not retrieve SMILES for CID '6319', all entries are ignored.","Could not retrieve SMILES for CID '1775', all entries are ignored.","Could not retrieve SMILES for CID '5101732', all entries are ignored.","Could not retrieve SMILES for CID '6537503', all entries are ignored.","Could not retrieve SMILES for CID '522325', all entries are ignored.","Could not retrieve SMILES for CID '20819', all entries are ignored.","Could not retrieve SMILES for CID '2724564', all entries are ignored.","Could not retrieve SMILES for CID '2777982', all entries are ignored.","Could not retrieve SMILES for CID '5284391', all entries are ignored.","Could not retrieve SMILES for CID '836', all entries are ignored.","Could not retrieve SMILES for CID '65340', all entries are ignored.","Could not retrieve SMILES for CID '38668', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '5284392', all entries are ignored.","Could not retrieve SMILES for CID '163838', all entries are ignored.","Could not retrieve SMILES for CID '5281855', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '3068143', all entries are ignored.","Could not retrieve SMILES for CID '3220', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '3224', all entries are ignored.","Could not retrieve SMILES for CID '12358480', all entries are ignored.","Could not retrieve SMILES for CID '5359318', all entries are ignored.","Could not retrieve SMILES for CID '441411', all entries are ignored.","Could not retrieve SMILES for CID '54680695', all entries are ignored.","Could not retrieve SMILES for CID '5284394', all entries are ignored.","Could not retrieve SMILES for CID '3261', all entries are ignored.","Could not retrieve SMILES for CID '31586', all entries are ignored.","Could not retrieve SMILES for CID '2761171', all entries are ignored.","Could not retrieve SMILES for CID '3293', all entries are ignored.","Could not retrieve SMILES for CID '92185', all entries are ignored.","Could not retrieve SMILES for CID '6295', all entries are ignored.","Could not retrieve SMILES for CID '6501', all entries are ignored.","Could not retrieve SMILES for CID '519829', all entries are ignored.","Could not retrieve SMILES for CID '150736', all entries are ignored.","Could not retrieve SMILES for CID '7833', all entries are ignored.","Could not retrieve SMILES for CID '7720', all entries are ignored.","Could not retrieve SMILES for CID '7641', all entries are ignored.","Ignoring CID 72060/ SMILES CCC(C1=CC=CC=C1)C(=O)NC(=O)N, because PubChem activity is ''.","Ignoring CID 9270/ SMILES CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C, because PubChem activity is ''.","Ignoring CID 3308/ SMILES CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O, because PubChem activity is ''.","Ignoring CID 3314/ SMILES COC1=C(C=CC(=C1)CC=C)O, because PubChem activity is ''.","Ignoring CID 59694/ SMILES C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl, because PubChem activity is ''.","Ignoring CID 23668198/ SMILES CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+], because PubChem activity is ''.","Ignoring CID 3346/ SMILES CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC, because PubChem activity is ''.","Ignoring CID 3347/ SMILES CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3, because PubChem activity is ''.","Ignoring CID 166033/ SMILES [Cl-].[Cl-].[Cl-].[Fe+3], because PubChem activity is ''.","Ignoring CID 41022/ SMILES CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F, because PubChem activity is ''.","Ignoring CID 16562/ SMILES CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F, because PubChem activity is ''.","Ignoring CID 5235/ SMILES [F-].[Na+], because PubChem activity is ''.","Ignoring CID 3385/ SMILES C1=C(C(=O)NC(=O)N1)F, because PubChem activity is ''.","Ignoring CID 62857/ SMILES CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl, because PubChem activity is ''.","Ignoring CID 35961/ SMILES C1=COC(=C1)C2=CSC(=N2)NNC=O, because PubChem activity is ''.","Ignoring CID 2775486/ SMILES C(=O)NNC(=S)N, because PubChem activity is ''.","Ignoring CID 9570107/ SMILES C1=COC(=C1)C=NNC(=O)N, because PubChem activity is ''.","Ignoring CID 3440/ SMILES C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl, because PubChem activity is ''.","Ignoring CID 5284397/ SMILES CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)CO, because PubChem activity is ''.","Ignoring CID 370/ SMILES C1=C(C=C(C(=C1O)O)O)C(=O)O, because PubChem activity is ''.","Ignoring CID 37147/ SMILES CC(C)(CCCCCCC(C)(C)CO)CO, because PubChem activity is ''.","Ignoring CID 1549026/ SMILES CC(=CCCC(=CCOC(=O)C)C)C, because PubChem activity is ''.","Ignoring CID 3485/ SMILES C(CC=O)CC=O, because PubChem activity is ''.","Ignoring CID 753/ SMILES C(C(CO)O)O, because PubChem activity is ''.","Ignoring CID 753/ SMILES C(C(CO)O)O, because PubChem activity is ''.","Ignoring CID 7290/ SMILES C(C(CCl)O)O, because PubChem activity is ''.","Ignoring CID 13002/ SMILES C1C(O1)C=O, because PubChem activity is ''.","Ignoring CID 10114/ SMILES CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C, because PubChem activity is ''.","Ignoring CID 16887/ SMILES CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=C(C=C(C=C5)O)S(=O)(=O)[O-].[Na+].[Na+], because PubChem activity is ''.","Ignoring CID 3589/ SMILES C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 14276/ SMILES C1CCCNCCC1, because PubChem activity is ''.","Ignoring CID 8127/ SMILES CCCCCCCN, because PubChem activity is ''.","Ignoring CID 6478/ SMILES C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 3598/ SMILES C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl, because PubChem activity is ''.","Ignoring CID 4101/ SMILES C1N2CN3CN1CN(C2)C3, because PubChem activity is ''.","Ignoring CID 12332/ SMILES CCCCCC(=O)N, because PubChem activity is ''.","Ignoring CID 8058/ SMILES CCCCCC, because PubChem activity is ''.","Ignoring CID 119193/ SMILES CCCCCCOC1=C(C(=C(C(=C1)C)O)C)C, because PubChem activity is ''.","Ignoring CID 3610/ SMILES CCCCCCC1=C(C=C(C=C1)O)O, because PubChem activity is ''.","Ignoring CID 66091/ SMILES C1=C(NC=N1)CC(C(=O)O)N.Cl, because PubChem activity is ''.","Ignoring CID 98613/ SMILES C1=CC=C(C=C1)C2=CSC(=N2)NN, because PubChem activity is ''.","Ignoring CID 313/ SMILES Cl, because PubChem activity is ''.","Ignoring CID 3639/ SMILES C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl, because PubChem activity is ''.","Ignoring CID 5754/ SMILES CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O, because PubChem activity is ''.","Ignoring CID 3014728/ SMILES CC(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)O, because PubChem activity is ''.","Ignoring CID 20376/ SMILES C1=CC=C(C=C1)C2=CC(=C(C=C2)N)O, because PubChem activity is ''.","Ignoring CID 1923/ SMILES C1=CC2=C(C(=C1)O)N=CC=C2, because PubChem activity is ''.","Ignoring CID 3672/ SMILES CC(C)CC1=CC=C(C=C1)C(C)C(=O)O, because PubChem activity is ''.","Could not retrieve SMILES for CID '72060', all entries are ignored.","Could not retrieve SMILES for CID '9270', all entries are ignored.","Could not retrieve SMILES for CID '3308', all entries are ignored.","Could not retrieve SMILES for CID '3314', all entries are ignored.","Could not retrieve SMILES for CID '59694', all entries are ignored.","Could not retrieve SMILES for CID '23668198', all entries are ignored.","Could not retrieve SMILES for CID '3346', all entries are ignored.","Could not retrieve SMILES for CID '3347', all entries are ignored.","Could not retrieve SMILES for CID '166033', all entries are ignored.","Could not retrieve SMILES for CID '41022', all entries are ignored.","Could not retrieve SMILES for CID '16562', all entries are ignored.","Could not retrieve SMILES for CID '5235', all entries are ignored.","Could not retrieve SMILES for CID '3385', all entries are ignored.","Could not retrieve SMILES for CID '62857', all entries are ignored.","Could not retrieve SMILES for CID '35961', all entries are ignored.","Could not retrieve SMILES for CID '2775486', all entries are ignored.","Could not retrieve SMILES for CID '9570107', all entries are ignored.","Could not retrieve SMILES for CID '3440', all entries are ignored.","Could not retrieve SMILES for CID '5284397', all entries are ignored.","Could not retrieve SMILES for CID '370', all entries are ignored.","Could not retrieve SMILES for CID '37147', all entries are ignored.","Could not retrieve SMILES for CID '1549026', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '3485', all entries are ignored.","Could not retrieve SMILES for CID '753', all entries are ignored.","Could not retrieve SMILES for CID '753', all entries are ignored.","Could not retrieve SMILES for CID '7290', all entries are ignored.","Could not retrieve SMILES for CID '13002', all entries are ignored.","Could not retrieve SMILES for CID '10114', all entries are ignored.","Could not retrieve SMILES for CID '16887', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '3589', all entries are ignored.","Could not retrieve SMILES for CID '14276', all entries are ignored.","Could not retrieve SMILES for CID '8127', all entries are ignored.","Could not retrieve SMILES for CID '6478', all entries are ignored.","Could not retrieve SMILES for CID '3598', all entries are ignored.","Could not retrieve SMILES for CID '4101', all entries are ignored.","Could not retrieve SMILES for CID '12332', all entries are ignored.","Could not retrieve SMILES for CID '8058', all entries are ignored.","Could not retrieve SMILES for CID '119193', all entries are ignored.","Could not retrieve SMILES for CID '3610', all entries are ignored.","Could not retrieve SMILES for CID '66091', all entries are ignored.","Could not retrieve SMILES for CID '98613', all entries are ignored.","Could not retrieve SMILES for CID '313', all entries are ignored.","Could not retrieve SMILES for CID '3639', all entries are ignored.","Could not retrieve SMILES for CID '5754', all entries are ignored.","Could not retrieve SMILES for CID '3014728', all entries are ignored.","Could not retrieve SMILES for CID '20376', all entries are ignored.","Could not retrieve SMILES for CID '1923', all entries are ignored.","Could not retrieve SMILES for CID '3672', all entries are ignored.","Ignoring CID 5284401/ SMILES CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cl, because PubChem activity is ''.","Ignoring CID 23681167/ SMILES C(C(=O)O)NCC(=O)[O-].[Na+], because PubChem activity is ''.","Ignoring CID 3727/ SMILES C(C(=O)N)I, because PubChem activity is ''.","Ignoring CID 6374/ SMILES C(I)(I)I, because PubChem activity is ''.","Ignoring CID 5284403/ SMILES CCN(CC)CCCNC(=O)CN1C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O, because PubChem activity is ''.","Ignoring CID 5282435/ SMILES C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl.C(=CC(=O)O)C(=O)O, because PubChem activity is ''.","Ignoring CID 9570205/ SMILES CC(C)CN(C(=N[N+](=O)[O-])N)N=O, because PubChem activity is ''.","Ignoring CID 6561/ SMILES CC(C)C=O, because PubChem activity is ''.","Ignoring CID 3776/ SMILES CC(C)O, because PubChem activity is ''.","Ignoring CID 2728/ SMILES CC(C)OC(=O)NC1=CC(=CC=C1)Cl, because PubChem activity is ''.","Ignoring CID 6321424/ SMILES CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C, because PubChem activity is ''.","Ignoring CID 5284579/ SMILES CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O, because PubChem activity is ''.","Ignoring CID 5280863/ SMILES C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O, because PubChem activity is ''.","Ignoring CID 36400/ SMILES C1=C(C=C(C=C1Cl)Cl)C2=CC(=CC(=C2)Cl)Cl, because PubChem activity is ''.","Ignoring CID 3825/ SMILES CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O, because PubChem activity is ''.","Ignoring CID 519623/ SMILES CN(C)C(=S)S[Pb]SC(=S)N(C)C, because PubChem activity is ''.","Ignoring CID 5284409/ SMILES CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl, because PubChem activity is ''.","Ignoring CID 9903/ SMILES CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C, because PubChem activity is ''.","Ignoring CID 30667/ SMILES CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl.Cl, because PubChem activity is ''.","Ignoring CID 39562/ SMILES C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O, because PubChem activity is ''.","Ignoring CID 54690031/ SMILES CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3, because PubChem activity is ''.","Ignoring CID 53232/ SMILES CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C, because PubChem activity is ''.","Ignoring CID 15415/ SMILES CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC, because PubChem activity is ''.","Ignoring CID 4004/ SMILES CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC, because PubChem activity is ''.","Ignoring CID 21954/ SMILES C1=CC(=O)NNC1=O, because PubChem activity is ''.","Ignoring CID 177577/ SMILES O.[O-]S(=O)(=O)[O-].[Mn+2], because PubChem activity is ''.","Ignoring CID 150762/ SMILES CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl, because PubChem activity is ''.","Ignoring CID 6251/ SMILES C(C(C(C(C(CO)O)O)O)O)O, because PubChem activity is ''.","Ignoring CID 3033867/ SMILES C(CCl)NCC(C(C(C(CNCCCl)O)O)O)O, because PubChem activity is ''.","Ignoring CID 54677470/ SMILES CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O, because PubChem activity is ''.","Ignoring CID 1254/ SMILES CC1CCC(C(C1)O)C(C)C, because PubChem activity is ''.","Ignoring CID 6222/ SMILES CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)(C3=CC=CC=C3)O, because PubChem activity is ''.","Ignoring CID 23662354/ SMILES C(CS(=O)(=O)[O-])S.[Na+], because PubChem activity is ''.","Ignoring CID 667490/ SMILES C1=NC2=C(N1)C(=S)N=CN2, because PubChem activity is ''.","Ignoring CID 409301/ SMILES C[Hg]Cl, because PubChem activity is ''.","Ignoring CID 31368/ SMILES CC(=C)C#N, because PubChem activity is ''.","Ignoring CID 21563/ SMILES CN(C)CCN(CC1=CC=CO1)C2=CC=CC=N2, because PubChem activity is ''.","Ignoring CID 10306/ SMILES CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2, because PubChem activity is ''.","Ignoring CID 876/ SMILES CSCCC(C(=O)O)N, because PubChem activity is ''.","Ignoring CID 126941/ SMILES CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O, because PubChem activity is ''.","Ignoring CID 4115/ SMILES COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl, because PubChem activity is ''.","Ignoring CID 6323/ SMILES CBr, because PubChem activity is ''.","Ignoring CID 80519/ SMILES COC(=O)NN, because PubChem activity is ''.","Ignoring CID 7204/ SMILES CC1=C(C=CC(=C1)Cl)OCC(=O)O, because PubChem activity is ''.","Ignoring CID 5284420/ SMILES CCCCCC(C=CC=CCCCCCCCC(=O)OC)OO, because PubChem activity is ''.","Ignoring CID 5284421/ SMILES CCCCCC=CCC=CCCCCCCCC(=O)OC, because PubChem activity is ''.","Ignoring CID 6658/ SMILES CC(=C)C(=O)OC, because PubChem activity is ''.","Ignoring CID 4130/ SMILES COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-], because PubChem activity is ''.","Could not retrieve SMILES for CID '5284401', all entries are ignored.","Could not retrieve SMILES for CID '23681167', all entries are ignored.","Could not retrieve SMILES for CID '3727', all entries are ignored.","Could not retrieve SMILES for CID '6374', all entries are ignored.","Could not retrieve SMILES for CID '5284403', all entries are ignored.","Could not retrieve SMILES for CID '5282435', all entries are ignored.","Could not retrieve SMILES for CID '9570205', all entries are ignored.","Could not retrieve SMILES for CID '6561', all entries are ignored.","Could not retrieve SMILES for CID '3776', all entries are ignored.","Could not retrieve SMILES for CID '2728', all entries are ignored.","Could not retrieve SMILES for CID '6321424', all entries are ignored.","Could not retrieve SMILES for CID '5284579', all entries are ignored.","Could not retrieve SMILES for CID '5280863', all entries are ignored.","Could not retrieve SMILES for CID '36400', all entries are ignored.","Could not retrieve SMILES for CID '3825', all entries are ignored.","Could not retrieve SMILES for CID '519623', all entries are ignored.","Could not retrieve SMILES for CID '5284409', all entries are ignored.","Could not retrieve SMILES for CID '9903', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '30667', all entries are ignored.","Could not retrieve SMILES for CID '39562', all entries are ignored.","Could not retrieve SMILES for CID '54690031', all entries are ignored.","Could not retrieve SMILES for CID '53232', all entries are ignored.","Could not retrieve SMILES for CID '15415', all entries are ignored.","Could not retrieve SMILES for CID '4004', all entries are ignored.","Could not retrieve SMILES for CID '21954', all entries are ignored.","Could not retrieve SMILES for CID '177577', all entries are ignored.","Could not retrieve SMILES for CID '150762', all entries are ignored.","Could not retrieve SMILES for CID '6251', all entries are ignored.","Could not retrieve SMILES for CID '3033867', all entries are ignored.","Could not retrieve SMILES for CID '54677470', all entries are ignored.","Could not retrieve SMILES for CID '1254', all entries are ignored.","Could not retrieve SMILES for CID '6222', all entries are ignored.","Could not retrieve SMILES for CID '23662354', all entries are ignored.","Could not retrieve SMILES for CID '667490', all entries are ignored.","Could not retrieve SMILES for CID '409301', all entries are ignored.","Could not retrieve SMILES for CID '31368', all entries are ignored.","Could not retrieve SMILES for CID '21563', all entries are ignored.","Could not retrieve SMILES for CID '10306', all entries are ignored.","Could not retrieve SMILES for CID '876', all entries are ignored.","Could not retrieve SMILES for CID '126941', all entries are ignored.","Could not retrieve SMILES for CID '4115', all entries are ignored.","Could not retrieve SMILES for CID '6323', all entries are ignored.","Could not retrieve SMILES for CID '80519', all entries are ignored.","Could not retrieve SMILES for CID '7204', all entries are ignored.","Could not retrieve SMILES for CID '5284420', all entries are ignored.","Could not retrieve SMILES for CID '5284421', all entries are ignored.","Could not retrieve SMILES for CID '6658', all entries are ignored.","Could not retrieve SMILES for CID '4130', all entries are ignored.","Ignoring CID 13387/ SMILES CN1CCCC1=O, because PubChem activity is ''.","Ignoring CID 38852/ SMILES CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O.O.O, because PubChem activity is ''.","Ignoring CID 156320/ SMILES CC(C)C(=O)OC1=C(C=C(C=C1)CCNC)OC(=O)C(C)C.Cl, because PubChem activity is ''.","Ignoring CID 5284426/ SMILES C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl, because PubChem activity is ''.","Ignoring CID 8398/ SMILES CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O, because PubChem activity is ''.","Ignoring CID 10111/ SMILES CN=C(N)N, because PubChem activity is ''.","Ignoring CID 11361/ SMILES CN1C=NC2=C1C(=O)N=C(N2)N, because PubChem activity is ''.","Ignoring CID 7253/ SMILES CC1=C(C=CC(=C1)O)O, because PubChem activity is ''.","Ignoring CID 13543/ SMILES C=CC(=O)NCO, because PubChem activity is ''.","Ignoring CID 9280/ SMILES COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl, because PubChem activity is ''.","Ignoring CID 7059/ SMILES CC1=CC2=C(C=C1)N=CC=C2, because PubChem activity is ''.","Ignoring CID 11910/ SMILES CC1=CC=CC2=C1N=CC=C2, because PubChem activity is ''.","Ignoring CID 22047/ SMILES CC1=CC2=C(C=C1)SC3=CC=CC=C3N=C2N4CCN(CC4)C, because PubChem activity is ''.","Ignoring CID 5284484/ SMILES C(CNC(=S)[S-])NC(=S)[S-].[Zn+2], because PubChem activity is ''.","Ignoring CID 9414/ SMILES CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC, because PubChem activity is ''.","Ignoring CID 5282381/ SMILES CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O, because PubChem activity is ''.","Ignoring CID 14802/ SMILES O=[Mo](=O)=O, because PubChem activity is ''.","Ignoring CID 300/ SMILES C(C(=O)O)Cl, because PubChem activity is ''.","Ignoring CID 8948/ SMILES C[As](=O)(O)O, because PubChem activity is ''.","Ignoring CID 23672344/ SMILES C(C(C(=O)[O-])N)C(=O)O.[Na+], because PubChem activity is ''.","Ignoring CID 23672308/ SMILES C(CC(=O)O)C(C(=O)[O-])N.[Na+], because PubChem activity is ''.","Ignoring CID 23690498/ SMILES C(CC(=O)[O-])C(=O)O.[Na+], because PubChem activity is ''.","Ignoring CID 2478/ SMILES CS(=O)(=O)OCCCCOS(=O)(=O)C, because PubChem activity is ''.","Ignoring CID 15106/ SMILES C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl, because PubChem activity is ''.","Ignoring CID 71157/ SMILES CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O, because PubChem activity is ''.","Ignoring CID 935/ SMILES [Ni], because PubChem activity is ''.","Ignoring CID 5284429/ SMILES O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2], because PubChem activity is ''.","Ignoring CID 89594/ SMILES CN1CCCC1C2=CN=CC=C2, because PubChem activity is ''.","Ignoring CID 24268/ SMILES [N+](=O)([O-])[O-].[Na+], because PubChem activity is ''.","Ignoring CID 15685/ SMILES CCOC1=C(C=C(C=C1)NC(=O)C)[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 9566269/ SMILES C1=C(OC(=C1)[N+](=O)[O-])C(=NO)N, because PubChem activity is ''.","Ignoring CID 7097/ SMILES CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C, because PubChem activity is ''.","Ignoring CID 5104/ SMILES C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O, because PubChem activity is ''.","Ignoring CID 4338370/ SMILES C1=CC(=C(C=C1N)[N+](=O)[O-])N, because PubChem activity is ''.","Ignoring CID 5111791/ SMILES C1=CC(=C(C=C1[N+](=O)[O-])N)N, because PubChem activity is ''.","Ignoring CID 7444/ SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])N, because PubChem activity is ''.","Ignoring CID 7475/ SMILES C1=CC(=CC=C1N)[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 12076/ SMILES C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)O, because PubChem activity is ''.","Ignoring CID 7195/ SMILES C1=CC2=C(C=C1[N+](=O)[O-])NC=N2, because PubChem activity is ''.","Ignoring CID 12302/ SMILES CCCC[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 6587/ SMILES CC[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 3032552/ SMILES N(=O)[O], because PubChem activity is ''.","Could not retrieve SMILES for CID '13387', all entries are ignored.","Could not retrieve SMILES for CID '38852', all entries are ignored.","Could not retrieve SMILES for CID '156320', all entries are ignored.","Could not retrieve SMILES for CID '5284426', all entries are ignored.","Could not retrieve SMILES for CID '8398', all entries are ignored.","Could not retrieve SMILES for CID '10111', all entries are ignored.","Could not retrieve SMILES for CID '11361', all entries are ignored.","Could not retrieve SMILES for CID '7253', all entries are ignored.","Could not retrieve SMILES for CID '13543', all entries are ignored.","Could not retrieve SMILES for CID '9280', all entries are ignored.","Could not retrieve SMILES for CID '7059', all entries are ignored.","Could not retrieve SMILES for CID '11910', all entries are ignored.","Could not retrieve SMILES for CID '22047', all entries are ignored.","Could not retrieve SMILES for CID '5284484', all entries are ignored.","Could not retrieve SMILES for CID '9414', all entries are ignored.","Could not retrieve SMILES for CID '5282381', all entries are ignored.","Could not retrieve SMILES for CID '14802', all entries are ignored.","Could not retrieve SMILES for CID '300', all entries are ignored.","Could not retrieve SMILES for CID '8948', all entries are ignored.","Could not retrieve SMILES for CID '23672344', all entries are ignored.","Could not retrieve SMILES for CID '23672308', all entries are ignored.","Could not retrieve SMILES for CID '23690498', all entries are ignored.","Could not retrieve SMILES for CID '2478', all entries are ignored.","Could not retrieve SMILES for CID '15106', all entries are ignored.","Could not retrieve SMILES for CID '71157', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '935', all entries are ignored.","Could not retrieve SMILES for CID '5284429', all entries are ignored.","Could not retrieve SMILES for CID '89594', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '24268', all entries are ignored.","Could not retrieve SMILES for CID '15685', all entries are ignored.","Could not retrieve SMILES for CID '9566269', all entries are ignored.","Could not retrieve SMILES for CID '7097', all entries are ignored.","Could not retrieve SMILES for CID '5104', all entries are ignored.","Could not retrieve SMILES for CID '4338370', all entries are ignored.","Could not retrieve SMILES for CID '5111791', all entries are ignored.","Could not retrieve SMILES for CID '7444', all entries are ignored.","Could not retrieve SMILES for CID '7475', all entries are ignored.","Could not retrieve SMILES for CID '12076', all entries are ignored.","Could not retrieve SMILES for CID '7195', all entries are ignored.","Could not retrieve SMILES for CID '12302', all entries are ignored.","Could not retrieve SMILES for CID '6587', all entries are ignored.","Could not retrieve SMILES for CID '3032552', all entries are ignored.","Ignoring CID 6849/ SMILES C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 7903/ SMILES CCC[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 398/ SMILES CC(C)[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 1678/ SMILES C(C[N+](=O)[O-])C(=O)O, because PubChem activity is ''.","Ignoring CID 11945/ SMILES C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1, because PubChem activity is ''.","Ignoring CID 124937/ SMILES CC1CN(C(=O)NC1=O)N=O, because PubChem activity is ''.","Ignoring CID 107887/ SMILES C1COC(CN1N=O)O, because PubChem activity is ''.","Ignoring CID 13671/ SMILES CN(C1=CC=C(C=C1)[N+](=O)[O-])N=O, because PubChem activity is ''.","Ignoring CID 88617/ SMILES CC1=CC(N(C2=CC=CC=C12)N=O)(C)C, because PubChem activity is ''.","Ignoring CID 12267/ SMILES C(C(F)(F)F)N(CC(F)(F)F)N=O, because PubChem activity is ''.","Ignoring CID 52445/ SMILES CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O, because PubChem activity is ''.","Ignoring CID 130741/ SMILES C1N(CSCS1)N=O, because PubChem activity is ''.","Ignoring CID 62103/ SMILES COC(=O)C1=CCCN(C1)N=O, because PubChem activity is ''.","Ignoring CID 61873/ SMILES C1C(CN(C1C(=O)O)N=O)O, because PubChem activity is ''.","Ignoring CID 32784/ SMILES C(C(=O)O)N(CC(=O)O)N=O, because PubChem activity is ''.","Ignoring CID 125780/ SMILES CN(C1=CN=CC=C1)N=O, because PubChem activity is ''.","Ignoring CID 146271/ SMILES CN(C1=CC=NC=C1)N=O, because PubChem activity is ''.","Ignoring CID 20614/ SMILES C1CCN(C(C1)C(=O)O)N=O, because PubChem activity is ''.","Ignoring CID 10419304/ SMILES C1CC(N(C1)N=O)C(=O)O, because PubChem activity is ''.","Ignoring CID 64961/ SMILES C1=CC=C2C(=C1)C3=C(N2)C=NC=C3, because PubChem activity is ''.","Ignoring CID 5832/ SMILES CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C, because PubChem activity is ''.","Ignoring CID 7187/ SMILES C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2, because PubChem activity is ''.","Ignoring CID 34466/ SMILES C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 23665730/ SMILES CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+], because PubChem activity is ''.","Ignoring CID 47318/ SMILES CC1=C(SSC1=S)C2=NC=CN=C2, because PubChem activity is ''.","Could not retrieve SMILES for CID '6849', all entries are ignored.","Could not retrieve SMILES for CID '7903', all entries are ignored.","Could not retrieve SMILES for CID '398', all entries are ignored.","Could not retrieve SMILES for CID '1678', all entries are ignored.","Could not retrieve SMILES for CID '11945', all entries are ignored.","Could not retrieve SMILES for CID '124937', all entries are ignored.","Could not retrieve SMILES for CID '107887', all entries are ignored.","Could not retrieve SMILES for CID '13671', all entries are ignored.","Could not retrieve SMILES for CID '88617', all entries are ignored.","Could not retrieve SMILES for CID '12267', all entries are ignored.","Could not retrieve SMILES for CID '52445', all entries are ignored.","Could not retrieve SMILES for CID '130741', all entries are ignored.","Could not retrieve SMILES for CID '62103', all entries are ignored.","Could not retrieve SMILES for CID '61873', all entries are ignored.","Could not retrieve SMILES for CID '32784', all entries are ignored.","Could not retrieve SMILES for CID '125780', all entries are ignored.","Could not retrieve SMILES for CID '146271', all entries are ignored.","Could not retrieve SMILES for CID '20614', all entries are ignored.","Could not retrieve SMILES for CID '10419304', all entries are ignored.","Could not retrieve SMILES for CID '64961', all entries are ignored.","Could not retrieve SMILES for CID '5832', all entries are ignored.","Could not retrieve SMILES for CID '7187', all entries are ignored.","Could not retrieve SMILES for CID '34466', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '23665730', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '47318', all entries are ignored.","Ignoring CID 9566064/ SMILES C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+], because PubChem activity is ''.","Ignoring CID 23683036/ SMILES C1=C(NC(=O)NC1=O)C(=O)[O-].[Na+], because PubChem activity is ''.","Ignoring CID 5282164/ SMILES CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C, because PubChem activity is ''.","Ignoring CID 132303/ SMILES CNCC1=CC=C(O1)CSCCNC(=NCC(C2=CC=C(C=C2)O)O)NS(=O)(=O)C, because PubChem activity is ''.","Ignoring CID 9595287/ SMILES CNC(=O)ON=C(C(=O)N(C)C)SC, because PubChem activity is ''.","Ignoring CID 4616/ SMILES C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O, because PubChem activity is ''.","Ignoring CID 135720/ SMILES CC(=O)CN(C(=O)NCCCl)N=O, because PubChem activity is ''.","Ignoring CID 119557/ SMILES CC(=O)CN(C(=O)N)N=O, because PubChem activity is ''.","Ignoring CID 160188/ SMILES C=CC(=O)C1=CC2=C(C=C1)OCO2, because PubChem activity is ''.","Ignoring CID 71172/ SMILES CC(C)NCC(COC1=CC=CC=C1OCC=C)O.Cl, because PubChem activity is ''.","Ignoring CID 54680782/ SMILES CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.Cl, because PubChem activity is ''.","Ignoring CID 24823/ SMILES [O-][O+]=O, because PubChem activity is ''.","Ignoring CID 119153/ SMILES CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN(C)CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])F)C(=O)OC.Cl, because PubChem activity is ''.","Ignoring CID 991/ SMILES CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 4696/ SMILES C1C=C2C(=CC(=O)O2)C(O1)O, because PubChem activity is ''.","Ignoring CID 23676814/ SMILES CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+], because PubChem activity is ''.","Ignoring CID 6419/ SMILES C(C(Cl)(Cl)Cl)(Cl)Cl, because PubChem activity is ''.","Ignoring CID 6720/ SMILES C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 6518/ SMILES C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 9570282/ SMILES CCCCCN(C(=N[N+](=O)[O-])N)N=O, because PubChem activity is ''.","Ignoring CID 5284439/ SMILES C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=CC(=O)O)C(=O)O, because PubChem activity is ''.","Ignoring CID 16741/ SMILES C1=CC=C(C=C1)CCN=C=S, because PubChem activity is ''.","Ignoring CID 13266/ SMILES C1=CC=C(C=C1)CCN=C(N)N=C(N)N.Cl, because PubChem activity is ''.","Ignoring CID 4763/ SMILES CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2, because PubChem activity is ''.","Ignoring CID 996/ SMILES C1=CC=C(C=C1)O, because PubChem activity is ''.","Ignoring CID 4021/ SMILES CC1=NN(C(=O)C1)C2=CC=CC=C2, because PubChem activity is ''.","Ignoring CID 8679/ SMILES C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2, because PubChem activity is ''.","Ignoring CID 75146/ SMILES C1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl, because PubChem activity is ''.","Ignoring CID 5284442/ SMILES C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2, because PubChem activity is ''.","Ignoring CID 676454/ SMILES C1=CC=C(C=C1)NC(=S)N, because PubChem activity is ''.","Ignoring CID 7814/ SMILES C1=CC(=CC=C1N)N, because PubChem activity is ''.","Ignoring CID 10941/ SMILES C1=CC(=CC(=C1)N)N.Cl.Cl, because PubChem activity is ''.","Ignoring CID 12205/ SMILES C1=CC(=CC=C1N)N.Cl.Cl, because PubChem activity is ''.","Ignoring CID 5284443/ SMILES CNCC(C1=CC(=CC=C1)O)O.Cl, because PubChem activity is ''.","Ignoring CID 5284444/ SMILES COC1=C(C=CC(=C1)C=CC(=O)OCCC2=CC=CC=C2)O, because PubChem activity is ''.","Ignoring CID 114757/ SMILES C1=CC=C(C=C1)CCCCCCN=C=S, because PubChem activity is ''.","Ignoring CID 75815/ SMILES C1=CC=C(C=C1)CCCN=C=S, because PubChem activity is ''.","Ignoring CID 3032604/ SMILES CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl, because PubChem activity is ''.","Ignoring CID 24404/ SMILES P, because PubChem activity is ''.","Ignoring CID 6956/ SMILES C1=CC=C(C(=C1)C(=O)N)C(=O)N, because PubChem activity is ''.","Ignoring CID 6811/ SMILES C1=CC=C2C(=C1)C(=O)OC2=O, because PubChem activity is ''.","Ignoring CID 15965/ SMILES C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N, because PubChem activity is ''.","Ignoring CID 5910/ SMILES CCC1C(COC1=O)CC2=CN=CN2C, because PubChem activity is ''.","Ignoring CID 5284447/ SMILES CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O, because PubChem activity is ''.","Ignoring CID 4837/ SMILES C1CNCCN1, because PubChem activity is ''.","Ignoring CID 8082/ SMILES C1CCNCC1, because PubChem activity is ''.","Ignoring CID 8442/ SMILES CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2, because PubChem activity is ''.","Ignoring CID 65501/ SMILES CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C.Cl, because PubChem activity is ''.","Ignoring CID 54676228/ SMILES CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3, because PubChem activity is ''.","Ignoring CID 158629/ SMILES C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Br)Br)Br)Br)Br)Br, because PubChem activity is ''.","Ignoring CID 24773/ SMILES CCCCCCCCCC1=CC=C(C=C1)OCCOCCO, because PubChem activity is ''.","Ignoring CID 5284448/ SMILES CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO, because PubChem activity is ''.","Ignoring CID 24772/ SMILES C=CC1=CC=CC=[N+]1[O-], because PubChem activity is ''.","Ignoring CID 4873/ SMILES [Cl-].[K+], because PubChem activity is ''.","Ignoring CID 4883/ SMILES CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O, because PubChem activity is ''.","Ignoring CID 11979774/ SMILES C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.O, because PubChem activity is ''.","Ignoring CID 4890/ SMILES C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4, because PubChem activity is ''.","Ignoring CID 4891/ SMILES C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2, because PubChem activity is ''.","Ignoring CID 23676225/ SMILES CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+], because PubChem activity is ''.","Ignoring CID 4909/ SMILES CCC1(C(=O)NCNC1=O)C2=CC=CC=C2, because PubChem activity is ''.","Ignoring CID 4911/ SMILES CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O, because PubChem activity is ''.","Ignoring CID 5284449/ SMILES C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.O.Cl.Cl, because PubChem activity is ''.","Ignoring CID 6014/ SMILES CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl, because PubChem activity is ''.","Could not retrieve SMILES for CID '9566064', all entries are ignored.","Could not retrieve SMILES for CID '23683036', all entries are ignored.","Could not retrieve SMILES for CID '5282164', all entries are ignored.","Could not retrieve SMILES for CID '132303', all entries are ignored.","Could not retrieve SMILES for CID '9595287', all entries are ignored.","Could not retrieve SMILES for CID '4616', all entries are ignored.","Could not retrieve SMILES for CID '135720', all entries are ignored.","Could not retrieve SMILES for CID '119557', all entries are ignored.","Could not retrieve SMILES for CID '160188', all entries are ignored.","Could not retrieve SMILES for CID '71172', all entries are ignored.","Could not retrieve SMILES for CID '54680782', all entries are ignored.","Could not retrieve SMILES for CID '24823', all entries are ignored.","Could not retrieve SMILES for CID '119153', all entries are ignored.","Could not retrieve SMILES for CID '991', all entries are ignored.","Could not retrieve SMILES for CID '4696', all entries are ignored.","Could not retrieve SMILES for CID '23676814', all entries are ignored.","Could not retrieve SMILES for CID '6419', all entries are ignored.","Could not retrieve SMILES for CID '6720', all entries are ignored.","Could not retrieve SMILES for CID '6518', all entries are ignored.","Could not retrieve SMILES for CID '9570282', all entries are ignored.","Could not retrieve SMILES for CID '5284439', all entries are ignored.","Could not retrieve SMILES for CID '16741', all entries are ignored.","Could not retrieve SMILES for CID '13266', all entries are ignored.","Could not retrieve SMILES for CID '4763', all entries are ignored.","Could not retrieve SMILES for CID '996', all entries are ignored.","Could not retrieve SMILES for CID '4021', all entries are ignored.","Could not retrieve SMILES for CID '8679', all entries are ignored.","Could not retrieve SMILES for CID '75146', all entries are ignored.","Could not retrieve SMILES for CID '5284442', all entries are ignored.","Could not retrieve SMILES for CID '676454', all entries are ignored.","Could not retrieve SMILES for CID '7814', all entries are ignored.","Could not retrieve SMILES for CID '10941', all entries are ignored.","Could not retrieve SMILES for CID '12205', all entries are ignored.","Could not retrieve SMILES for CID '5284443', all entries are ignored.","Could not retrieve SMILES for CID '5284444', all entries are ignored.","Could not retrieve SMILES for CID '114757', all entries are ignored.","Could not retrieve SMILES for CID '75815', all entries are ignored.","Could not retrieve SMILES for CID '3032604', all entries are ignored.","Could not retrieve SMILES for CID '24404', all entries are ignored.","Could not retrieve SMILES for CID '6956', all entries are ignored.","Could not retrieve SMILES for CID '6811', all entries are ignored.","Could not retrieve SMILES for CID '15965', all entries are ignored.","Could not retrieve SMILES for CID '5910', all entries are ignored.","Could not retrieve SMILES for CID '5284447', all entries are ignored.","Could not retrieve SMILES for CID '4837', all entries are ignored.","Could not retrieve SMILES for CID '8082', all entries are ignored.","Could not retrieve SMILES for CID '8442', all entries are ignored.","Could not retrieve SMILES for CID '65501', all entries are ignored.","Could not retrieve SMILES for CID '54676228', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '158629', all entries are ignored.","Could not retrieve SMILES for CID '24773', all entries are ignored.","Could not retrieve SMILES for CID '5284448', all entries are ignored.","Could not retrieve SMILES for CID '24772', all entries are ignored.","Could not retrieve SMILES for CID '4873', all entries are ignored.","Could not retrieve SMILES for CID '4883', all entries are ignored.","Could not retrieve SMILES for CID '11979774', all entries are ignored.","Could not retrieve SMILES for CID '4890', all entries are ignored.","Could not retrieve SMILES for CID '4891', all entries are ignored.","Could not retrieve SMILES for CID '23676225', all entries are ignored.","Could not retrieve SMILES for CID '4909', all entries are ignored.","Could not retrieve SMILES for CID '4911', all entries are ignored.","Could not retrieve SMILES for CID '5284449', all entries are ignored.","Could not retrieve SMILES for CID '6014', all entries are ignored.","Ignoring CID 62882/ SMILES CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl, because PubChem activity is ''.","Ignoring CID 4947/ SMILES CCCOC(=O)C1=CC(=C(C(=C1)O)O)O, because PubChem activity is ''.","Ignoring CID 8252/ SMILES CC=C, because PubChem activity is ''.","Ignoring CID 1030/ SMILES CC(CO)O, because PubChem activity is ''.","Ignoring CID 92629/ SMILES CC(COC(C)(C)C)O, because PubChem activity is ''.","Ignoring CID 251643/ SMILES CCNNC(=O)C1C(C(C2=CC3=C(C=C2C1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O)CO, because PubChem activity is ''.","Ignoring CID 72/ SMILES C1=CC(=C(C=C1C(=O)O)O)O, because PubChem activity is ''.","Ignoring CID 1046/ SMILES C1=CN=C(C=N1)C(=O)N, because PubChem activity is ''.","Ignoring CID 4993/ SMILES CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl, because PubChem activity is ''.","Ignoring CID 5284452/ SMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O, because PubChem activity is ''.","Ignoring CID 54891/ SMILES CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.Cl, because PubChem activity is ''.","Ignoring CID 107999/ SMILES CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.Cl, because PubChem activity is ''.","Ignoring CID 5359894/ SMILES C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].[Na+], because PubChem activity is ''.","Ignoring CID 6508074/ SMILES COC1=C(C=C(C=C1)[N+](=O)[O-])NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 23690499/ SMILES C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC=CC=C43.[Na+], because PubChem activity is ''.","Ignoring CID 27872/ SMILES C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)[O-])I)I)I)C(=O)[O-].[Na+].[Na+], because PubChem activity is ''.","Ignoring CID 62500/ SMILES CCN(CC)C1=C(C=C2C(=C1)OC3=CC(=[N+](CC)CC)C(=CC3=C2C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+], because PubChem activity is ''.","Ignoring CID 3465817/ SMILES C1=CC(=C(C=C1N)[N+](=O)[O-])NCCO, because PubChem activity is ''.","Ignoring CID 5054/ SMILES C1=CC(=CC(=C1)O)O, because PubChem activity is ''.","Ignoring CID 444795/ SMILES CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C, because PubChem activity is ''.","Ignoring CID 5280531/ SMILES CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C, because PubChem activity is ''.","Ignoring CID 235227/ SMILES CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.Cl, because PubChem activity is ''.","Ignoring CID 5458213/ SMILES CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C, because PubChem activity is ''.","Ignoring CID 33474/ SMILES CCN1C2=C(C(=N1)C)NC(=O)CN=C2C3=CC=CC=C3, because PubChem activity is ''.","Ignoring CID 12447/ SMILES CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl, because PubChem activity is ''.","Ignoring CID 6758/ SMILES CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC, because PubChem activity is ''.","Ignoring CID 5284453/ SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.OS(=O)(=O)O, because PubChem activity is ''.","Ignoring CID 5280805/ SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O, because PubChem activity is ''.","Ignoring CID 5143/ SMILES C1=CC=C2C(=C1)C(=O)NS2(=O)=O, because PubChem activity is ''.","Ignoring CID 62610/ SMILES C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].[Ca+2], because PubChem activity is ''.","Ignoring CID 24860541/ SMILES CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.O.O.O.Br, because PubChem activity is ''.","Ignoring CID 63009/ SMILES CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl, because PubChem activity is ''.","Ignoring CID 516892/ SMILES C(=O)(O)[O-].[Na+], because PubChem activity is ''.","Ignoring CID 5234/ SMILES [Na+].[Cl-], because PubChem activity is ''.","Ignoring CID 23668197/ SMILES [O-]Cl=O.[Na+], because PubChem activity is ''.","Ignoring CID 9875143/ SMILES CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Na+].[Na+].[Na+].[Cu+2], because PubChem activity is ''.","Ignoring CID 517546/ SMILES CCN(CC)C(=S)[S-].O.O.O.[Na+], because PubChem activity is ''.","Ignoring CID 23665760/ SMILES [O-]Cl.[Na+], because PubChem activity is ''.","Ignoring CID 16133893/ SMILES [O-]P(=O)=O.[Na+], because PubChem activity is ''.","Ignoring CID 643460/ SMILES CC=CC=CC(=O)O, because PubChem activity is ''.","Ignoring CID 66245/ SMILES CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl, because PubChem activity is ''.","Ignoring CID 442089/ SMILES CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O, because PubChem activity is ''.","Ignoring CID 5284459/ SMILES C1=CC=C(C=C1)C=C[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 7922/ SMILES C1CC(=O)OC1=O, because PubChem activity is ''.","Ignoring CID 31339/ SMILES CC(C)C(=O)OCC1C(C(C(O1)(COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C, because PubChem activity is ''.","Ignoring CID 5344/ SMILES CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N, because PubChem activity is ''.","Ignoring CID 6498/ SMILES C1C=CCS1(=O)=O, because PubChem activity is ''.","Ignoring CID 5472495/ SMILES CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O, because PubChem activity is ''.","Ignoring CID 5362/ SMILES CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O, because PubChem activity is ''.","Ignoring CID 11289/ SMILES COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC, because PubChem activity is ''.","Ignoring CID 656609/ SMILES CN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N.O.O.O.O, because PubChem activity is ''.","Ignoring CID 1123/ SMILES C(CS(=O)(=O)O)N, because PubChem activity is ''.","Ignoring CID 5386/ SMILES C1CC(OC1)N2C=C(C(=O)NC2=O)F, because PubChem activity is ''.","Could not retrieve SMILES for CID '62882', all entries are ignored.","Could not retrieve SMILES for CID '4947', all entries are ignored.","Could not retrieve SMILES for CID '8252', all entries are ignored.","Could not retrieve SMILES for CID '1030', all entries are ignored.","Could not retrieve SMILES for CID '92629', all entries are ignored.","Could not retrieve SMILES for CID '251643', all entries are ignored.","Could not retrieve SMILES for CID '72', all entries are ignored.","Could not retrieve SMILES for CID '1046', all entries are ignored.","Could not retrieve SMILES for CID '4993', all entries are ignored.","Could not retrieve SMILES for CID '5284452', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '54891', all entries are ignored.","Could not retrieve SMILES for CID '107999', all entries are ignored.","Could not retrieve SMILES for CID '5359894', all entries are ignored.","Could not retrieve SMILES for CID '6508074', all entries are ignored.","Could not retrieve SMILES for CID '23690499', all entries are ignored.","Could not retrieve SMILES for CID '27872', all entries are ignored.","Could not retrieve SMILES for CID '62500', all entries are ignored.","Could not retrieve SMILES for CID '3465817', all entries are ignored.","Could not retrieve SMILES for CID '5054', all entries are ignored.","Could not retrieve SMILES for CID '444795', all entries are ignored.","Could not retrieve SMILES for CID '5280531', all entries are ignored.","Could not retrieve SMILES for CID '235227', all entries are ignored.","Could not retrieve SMILES for CID '5458213', all entries are ignored.","Could not retrieve SMILES for CID '33474', all entries are ignored.","Could not retrieve SMILES for CID '12447', all entries are ignored.","Could not retrieve SMILES for CID '6758', all entries are ignored.","Could not retrieve SMILES for CID '5284453', all entries are ignored.","Could not retrieve SMILES for CID '5280805', all entries are ignored.","Could not retrieve SMILES for CID '5143', all entries are ignored.","Could not retrieve SMILES for CID '62610', all entries are ignored.","Could not retrieve SMILES for CID '24860541', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '63009', all entries are ignored.","Could not retrieve SMILES for CID '516892', all entries are ignored.","Could not retrieve SMILES for CID '5234', all entries are ignored.","Could not retrieve SMILES for CID '23668197', all entries are ignored.","Could not retrieve SMILES for CID '9875143', all entries are ignored.","Could not retrieve SMILES for CID '517546', all entries are ignored.","Could not retrieve SMILES for CID '23665760', all entries are ignored.","Could not retrieve SMILES for CID '16133893', all entries are ignored.","Could not retrieve SMILES for CID '643460', all entries are ignored.","Could not retrieve SMILES for CID '66245', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '442089', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '5284459', all entries are ignored.","Could not retrieve SMILES for CID '7922', all entries are ignored.","Could not retrieve SMILES for CID '31339', all entries are ignored.","Could not retrieve SMILES for CID '5344', all entries are ignored.","Could not retrieve SMILES for CID '6498', all entries are ignored.","Could not retrieve SMILES for CID '5472495', all entries are ignored.","Could not retrieve SMILES for CID '5362', all entries are ignored.","Could not retrieve SMILES for CID '11289', all entries are ignored.","Could not retrieve SMILES for CID '656609', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '1123', all entries are ignored.","Could not retrieve SMILES for CID '5386', all entries are ignored.","Ignoring CID 17107/ SMILES COC1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl, because PubChem activity is ''.","Ignoring CID 27465/ SMILES C1=C(C(=CC(=C1Cl)N)Cl)C2=CC(=C(C=C2Cl)N)Cl, because PubChem activity is ''.","Ignoring CID 12418/ SMILES C(C(Cl)(Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 6591/ SMILES C(C(Cl)Cl)(Cl)Cl, because PubChem activity is ''.","Ignoring CID 5284462/ SMILES COP(=O)(OC)OC(=CCl)C1=CC(=C(C=C1Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 54704426/ SMILES CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl, because PubChem activity is ''.","Ignoring CID 3117/ SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC, because PubChem activity is ''.","Ignoring CID 149026/ SMILES C1(=C(C(=C(C(=C1F)F)F)N)F)N.Cl.Cl, because PubChem activity is ''.","Ignoring CID 16078/ SMILES CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O, because PubChem activity is ''.","Ignoring CID 94312/ SMILES C1CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O, because PubChem activity is ''.","Ignoring CID 31298/ SMILES C(O)[P+](CO)(CO)CO.[Cl-], because PubChem activity is ''.","Ignoring CID 41478/ SMILES C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-], because PubChem activity is ''.","Ignoring CID 5455/ SMILES CN(C)C(=S)SSC(=S)N(C)C, because PubChem activity is ''.","Ignoring CID 7066/ SMILES CN(C)CCN(CC1=CSC=C1)C2=CC=CC=N2, because PubChem activity is ''.","Ignoring CID 2153/ SMILES CN1C2=C(C(=O)N(C1=O)C)NC=N2, because PubChem activity is ''.","Ignoring CID 5430/ SMILES C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3, because PubChem activity is ''.","Ignoring CID 27200/ SMILES CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O, because PubChem activity is ''.","Ignoring CID 7308/ SMILES CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O, because PubChem activity is ''.","Ignoring CID 516871/ SMILES C(#N)[S-].[Na+], because PubChem activity is ''.","Ignoring CID 2723789/ SMILES C(=S)(N)NN, because PubChem activity is ''.","Ignoring CID 5284464/ SMILES CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O, because PubChem activity is ''.","Ignoring CID 5284465/ SMILES CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O.Cl, because PubChem activity is ''.","Ignoring CID 5284466/ SMILES [Cl-].[Cl-].[Sn+2], because PubChem activity is ''.","Ignoring CID 26042/ SMILES O=[Ti]=O, because PubChem activity is ''.","Ignoring CID 5284468/ SMILES C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4], because PubChem activity is ''.","Ignoring CID 2116/ SMILES CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O, because PubChem activity is ''.","Ignoring CID 2117/ SMILES CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C, because PubChem activity is ''.","Ignoring CID 5503/ SMILES CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2, because PubChem activity is ''.","Ignoring CID 5505/ SMILES CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C, because PubChem activity is ''.","Ignoring CID 522105/ SMILES CC1=CC(=CC=C1)N.Cl, because PubChem activity is ''.","Ignoring CID 10891/ SMILES CC1=CC=C(C=C1)N.Cl, because PubChem activity is ''.","Ignoring CID 12148/ SMILES CC1=CC=C(C=C1)NC(=O)N, because PubChem activity is ''.","Ignoring CID 3005572/ SMILES CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O, because PubChem activity is ''.","Ignoring CID 5284469/ SMILES C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl, because PubChem activity is ''.","Ignoring CID 5546/ SMILES C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N, because PubChem activity is ''.","Ignoring CID 6428/ SMILES C(C(F)(Cl)Cl)(F)(F)Cl, because PubChem activity is ''.","Ignoring CID 6421/ SMILES C(=O)(C(Cl)(Cl)Cl)O, because PubChem activity is ''.","Ignoring CID 12471/ SMILES C1=C(C=C(C(=C1Cl)N)Cl)Cl, because PubChem activity is ''.","Ignoring CID 6574/ SMILES C(C(Cl)Cl)Cl, because PubChem activity is ''.","Ignoring CID 6278/ SMILES CC(Cl)(Cl)Cl, because PubChem activity is ''.","Ignoring CID 6389/ SMILES C(F)(Cl)(Cl)Cl, because PubChem activity is ''.","Ignoring CID 8607/ SMILES C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl, because PubChem activity is ''.","Ignoring CID 1480/ SMILES C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O, because PubChem activity is ''.","Ignoring CID 5853/ SMILES COP(=O)(C(C(Cl)(Cl)Cl)O)OC, because PubChem activity is ''.","Ignoring CID 6529/ SMILES CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C, because PubChem activity is ''.","Ignoring CID 7618/ SMILES C(CO)N(CCO)CCO, because PubChem activity is ''.","Ignoring CID 8172/ SMILES C(COCCOCCO)O, because PubChem activity is ''.","Ignoring CID 5569/ SMILES CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 5576/ SMILES CC1(C(=O)N(C(=O)O1)C)C, because PubChem activity is ''.","Ignoring CID 2449/ SMILES CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C, because PubChem activity is ''.","Ignoring CID 10541/ SMILES COP(=O)(OC)OC, because PubChem activity is ''.","Ignoring CID 7434/ SMILES C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-], because PubChem activity is ''.","Ignoring CID 6327657/ SMILES C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O, because PubChem activity is ''.","Ignoring CID 5284472/ SMILES CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3.O.Cl, because PubChem activity is ''.","Ignoring CID 6537/ SMILES CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC, because PubChem activity is ''.","Ignoring CID 24730/ SMILES CC(CN(CC(C)O)CC(C)O)O, because PubChem activity is ''.","Ignoring CID 154874/ SMILES CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC, because PubChem activity is ''.","Ignoring CID 1148/ SMILES C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N, because PubChem activity is ''.","Ignoring CID 6305/ SMILES C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N, because PubChem activity is ''.","Could not retrieve SMILES for CID '17107', all entries are ignored.","Could not retrieve SMILES for CID '27465', all entries are ignored.","Could not retrieve SMILES for CID '12418', all entries are ignored.","Could not retrieve SMILES for CID '6591', all entries are ignored.","Could not retrieve SMILES for CID '5284462', all entries are ignored.","Could not retrieve SMILES for CID '54704426', all entries are ignored.","Could not retrieve SMILES for CID '3117', all entries are ignored.","Could not retrieve SMILES for CID '149026', all entries are ignored.","Could not retrieve SMILES for CID '16078', all entries are ignored.","Could not retrieve SMILES for CID '94312', all entries are ignored.","Could not retrieve SMILES for CID '31298', all entries are ignored.","Could not retrieve SMILES for CID '41478', all entries are ignored.","Could not retrieve SMILES for CID '5455', all entries are ignored.","Could not retrieve SMILES for CID '7066', all entries are ignored.","Could not retrieve SMILES for CID '2153', all entries are ignored.","Could not retrieve SMILES for CID '5430', all entries are ignored.","Could not retrieve SMILES for CID '27200', all entries are ignored.","Could not retrieve SMILES for CID '7308', all entries are ignored.","Could not retrieve SMILES for CID '516871', all entries are ignored.","Could not retrieve SMILES for CID '2723789', all entries are ignored.","Could not retrieve SMILES for CID '5284464', all entries are ignored.","Could not retrieve SMILES for CID '5284465', all entries are ignored.","Could not retrieve SMILES for CID '5284466', all entries are ignored.","Could not retrieve SMILES for CID '26042', all entries are ignored.","Could not retrieve SMILES for CID '5284468', all entries are ignored.","Could not retrieve SMILES for CID '2116', all entries are ignored.","Could not retrieve SMILES for CID '2117', all entries are ignored.","Could not retrieve SMILES for CID '5503', all entries are ignored.","Could not retrieve SMILES for CID '5505', all entries are ignored.","Could not retrieve SMILES for CID '522105', all entries are ignored.","Could not retrieve SMILES for CID '10891', all entries are ignored.","Could not retrieve SMILES for CID '12148', all entries are ignored.","Could not retrieve SMILES for CID '3005572', all entries are ignored.","Could not retrieve SMILES for CID '5284469', all entries are ignored.","Could not retrieve SMILES for CID '5546', all entries are ignored.","Could not retrieve SMILES for CID '6428', all entries are ignored.","Could not retrieve SMILES for CID '6421', all entries are ignored.","Could not retrieve SMILES for CID '12471', all entries are ignored.","Could not retrieve SMILES for CID '6574', all entries are ignored.","Could not retrieve SMILES for CID '6278', all entries are ignored.","Could not retrieve SMILES for CID '6389', all entries are ignored.","Could not retrieve SMILES for CID '8607', all entries are ignored.","Could not retrieve SMILES for CID '1480', all entries are ignored.","Could not retrieve SMILES for CID '5853', all entries are ignored.","Could not retrieve SMILES for CID '6529', all entries are ignored.","Could not retrieve SMILES for CID '7618', all entries are ignored.","Could not retrieve SMILES for CID '8172', all entries are ignored.","Could not retrieve SMILES for CID '5569', all entries are ignored.","Could not retrieve SMILES for CID '5576', all entries are ignored.","Could not retrieve SMILES for CID '2449', all entries are ignored.","Could not retrieve SMILES for CID '10541', all entries are ignored.","Could not retrieve SMILES for CID '7434', all entries are ignored.","Could not retrieve SMILES for CID '6327657', all entries are ignored.","Could not retrieve SMILES for CID '5284472', all entries are ignored.","Could not retrieve SMILES for CID '6537', all entries are ignored.","Could not retrieve SMILES for CID '24730', all entries are ignored.","Could not retrieve SMILES for CID '154874', all entries are ignored.","Could not retrieve SMILES for CID '1148', all entries are ignored.","Could not retrieve SMILES for CID '6305', all entries are ignored.","Ignoring CID 26052/ SMILES [O-][W](=O)(=O)[O-].[Na+].[Na+], because PubChem activity is ''.","Ignoring CID 969516/ SMILES COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O, because PubChem activity is ''.","Ignoring CID 969516/ SMILES COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O, because PubChem activity is ''.","Ignoring CID 5639/ SMILES CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC, because PubChem activity is ''.","Ignoring CID 1176/ SMILES C(=O)(N)N, because PubChem activity is ''.","Ignoring CID 34007/ SMILES [O-]S(=O)(=O)[O-].O=[V+2], because PubChem activity is ''.","Ignoring CID 241903/ SMILES CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O, because PubChem activity is ''.","Ignoring CID 7529/ SMILES CC1=CC=CC(=C1)C=C, because PubChem activity is ''.","Ignoring CID 7499/ SMILES C=CC1CCC=CC1, because PubChem activity is ''.","Ignoring CID 6366/ SMILES C=C(Cl)Cl, because PubChem activity is ''.","Ignoring CID 6369/ SMILES C=C(F)F, because PubChem activity is ''.","Ignoring CID 444020/ SMILES C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO, because PubChem activity is ''.","Ignoring CID 154437/ SMILES CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)OC.Cl.Cl, because PubChem activity is ''.","Ignoring CID 68554/ SMILES CC1=C(C(=CC=C1)C)NC2=NCCCS2.Cl, because PubChem activity is ''.","Ignoring CID 88898/ SMILES CC1=CC(=C(C=C1)N)C.Cl, because PubChem activity is ''.","Ignoring CID 186342/ SMILES CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4)Cl)Cl, because PubChem activity is ''.","Ignoring CID 22288/ SMILES CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=C(C=C3)Cl)Cl)C)NC(=O)C(C(=O)C)N=NC4=C(C=C(C=C4)Cl)Cl, because PubChem activity is ''.","Ignoring CID 21733/ SMILES CC(=O)C(C(=O)NC1=CC(=C(C=C1OC)Cl)OC)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl, because PubChem activity is ''.","Ignoring CID 31412/ SMILES C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O, because PubChem activity is ''.","Ignoring CID 5359657/ SMILES C1=CC(=CC=C1NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+], because PubChem activity is ''.","Ignoring CID 5359810/ SMILES C1=CC(=CC=C1NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+], because PubChem activity is ''.","Ignoring CID 62158/ SMILES C1=CC(=C(C=C1[N+](=O)[O-])OCCO)NCCO, because PubChem activity is ''.","Ignoring CID 24860542/ SMILES CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)N4C)C.C(=CC(=O)O)C(=O)O, because PubChem activity is ''.","Ignoring CID 5281576/ SMILES CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O, because PubChem activity is ''.","Ignoring CID 2724192/ SMILES CC(=O)[O-].CC(=O)[O-].O.O.[Zn+2], because PubChem activity is ''.","Could not retrieve SMILES for CID '26052', all entries are ignored.","Could not retrieve SMILES for CID '969516', all entries are ignored.","Could not retrieve SMILES for CID '969516', all entries are ignored.","Could not retrieve SMILES for CID '5639', all entries are ignored.","Could not retrieve SMILES for CID '1176', all entries are ignored.","Could not retrieve SMILES for CID '34007', all entries are ignored.","Could not retrieve SMILES for CID '241903', all entries are ignored.","Could not retrieve SMILES for CID '7529', all entries are ignored.","Could not retrieve SMILES for CID '7499', all entries are ignored.","Could not retrieve SMILES for CID '6366', all entries are ignored.","Could not retrieve SMILES for CID '6369', all entries are ignored.","Could not retrieve SMILES for CID '444020', all entries are ignored.","Could not retrieve SMILES for CID '154437', all entries are ignored.","Could not retrieve SMILES for CID '', all entries are ignored.","Could not retrieve SMILES for CID '68554', all entries are ignored.","Could not retrieve SMILES for CID '88898', all entries are ignored.","Could not retrieve SMILES for CID '186342', all entries are ignored.","Could not retrieve SMILES for CID '22288', all entries are ignored.","Could not retrieve SMILES for CID '21733', all entries are ignored.","Could not retrieve SMILES for CID '31412', all entries are ignored.","Could not retrieve SMILES for CID '5359657', all entries are ignored.","Could not retrieve SMILES for CID '5359810', all entries are ignored.","Could not retrieve SMILES for CID '62158', all entries are ignored.","Could not retrieve SMILES for CID '24860542', all entries are ignored.","Could not retrieve SMILES for CID '5281576', all entries are ignored.","Could not retrieve SMILES for CID '2724192', all entries are ignored."]}