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logd.csv

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+Molecule name,SMILES,LogD
+ASAP-0032437,COC1=CC=CC(Cl)=C1NC(=O)N1CCC[C@H](C(N)=O)C1,0.3
+ASAP-0031915,O=C(NCC(F)F)[C@H](NC1=CC2=C(C=C1Br)CNC2)C1=CC(Cl)=CC(C2CC2)=C1,2.9
+ASAP-0031884,O=C(NCC(F)F)[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Br)=CC2=C1NC=N2,0.4
+ASAP-0031848,NC(=O)[C@H]1CCCN(C(=O)CC2=CC=CC3=C2C=CO3)C1,1.0
+ASAP-0031813,CC1=CC(CC(=O)N2CCC[C@H](C(N)=O)C2)=CC=N1,-0.3
+ASAP-0031747,O=C(NCC(F)F)[C@H](NC1=CN=C2CNCC2=C1)C1=CC(Cl)=CC(C2CC2)=C1,1.5
+ASAP-0031580,COC1=CC(Cl)=CC([C@H](NC2=CC=C3CNCC3=C2)C(=O)NCC(F)F)=C1,0.5
+ASAP-0031651,CC1=CC([C@H](NC2=CC=C3CNCC3=C2)C(=O)NCC(F)F)=CC(C(F)(F)F)=C1,1.0
+ASAP-0031402,O=C(NCC(F)F)[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC2=C1OC=C2,0.6
+ASAP-0031455,CC(C)NC(=O)[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC2=C1N=C(C1=CC=CC=C1)N2,2.8
+ASAP-0031351,CN(C1=CC=C2CNCC2=C1)[C@H](C(=O)NCC(F)F)C1=CC(Cl)=CC(C2CC2)=C1,1.6
+ASAP-0031379,COCC1=CC(Cl)=CC([C@H](NC2=CC=C3CNCC3=C2)C(=O)NCC(F)F)=C1,0.2
+ASAP-0031332,COC1=CC(C#N)=CC([C@H](NC2=CC=C3CNCC3=C2)C(=O)NCC(F)F)=C1,-0.4
+ASAP-0031390,O=C(NCC(F)F)[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC2=C1CCC2,1.2
+ASAP-0031247,N#CC1=CC=CC(C2=NC3=C(C(=O)NC4=CC=C5CNCC5=C4)C=C(F)C=C3N2)=C1,2.0
+ASAP-0031237,O=C(NC1=CC=C2CNCC2=C1)C1=CC(F)=CC2=C1N=C(C1=CC=C(F)C=C1)N2,2.9
+ASAP-0031274,O=C(NC1=CC2=C(CNC2)C(C2=CNC(=O)C(F)=C2)=C1)C1=CC(F)=CC2=C1C=NN2,0.4
+ASAP-0031265,N#CC1=CC2=C(C=C1NC(=O)C1=CC(F)=CC3=C1C=NN3)CNC2,0.6
+ASAP-0031147,O=C(NC1=CC2=C(CNC2)C(C2=CCOCC2)=C1)C1=CC(F)=CC2=C1C=NN2,0.9
+ASAP-0031157,CO[C@H]1C[C@H](N2N=CC3=C(C(=O)NC4=CC=C5CNCC5=C4)C=C(Cl)C=C32)C1,1.5
+ASAP-0031155,O=C(NC1=CC2=C(CNC2)C(C2=CCS(=O)(=O)CC2)=C1)C1=CC(F)=CC2=C1C=NN2,-0.1
+ASAP-0031141,COC1=CC(C2=CC(NC(=O)C3=CC(F)=CC4=C3C=NN4)=CC3=C2CNC3)=CC=N1,2.0
+ASAP-0031137,O=C(NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC2=C1C=NN2C1CCC1,2.0
+ASAP-0031203,CC(C)N1C=C2C(C(=O)NC3=CC=C4CNCC4=C3)=CC(Cl)=CC2=N1,1.6
+ASAP-0031031,CCCCNC(=O)[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC(C2CC2)=C1,2.3
+ASAP-0031004,O=C(NC1=CC=C2CNCC2=C1)C1=CC(F)=CC(C2=CNN=C2)=C1,0.7
+ASAP-0031019,O=C(NC1=CC2=C(C=C1C1CC1)CNC2)C1=CC(F)=CC2=C1C=NN2,0.7
+ASAP-0031092,CNC(=O)[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC2=C1N=C(C1=CC=CC=C1)N2,1.8
+ASAP-0031104,O=C(NCCCF)[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC(C2CC2)=C1,1.2
+ASAP-0030775,O=C(NCC(F)F)[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC(C2CC2)=C1,1.3
+ASAP-0030761,COCCNC(=O)[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC(C2CC2)=C1,1.0
+ASAP-0030776,O=C(NCC(F)F)[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC(C2CC2)=C1,1.4
+ASAP-0030792,O=C(NC1=CC(Br)=C2CNCC2=C1)C1=CC(F)=CC2=C1C=NN2,1.8
+ASAP-0030826,CC(C)NC(=O)[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC2=C1N=C(C1=CC=CC=C1)N2,2.9
+ASAP-0030065,O=C1CC2=C(C=C(F)C=C2C(=O)NC2=CC=C3CNCC3=C2)N1,-0.2
+ASAP-0030071,C=CC[C@H]1NCC2=CC(NC(=O)C3=CC(F)=CC4=C3C=NN4)=CC=C21,1.7
+ASAP-0030106,O=C(NC1=CC=C2CNCC2=C1)C1=CC(F)=CC2=C1CCC2,1.2
+ASAP-0030104,CN1C=C2C(C(=O)NC3=CC=C4CNCC4=C3)=CC(F)=CC2=N1,0.2
+ASAP-0030085,O=C(NC1=CC2=C(C=C1Br)CNC2)C1=CC(F)=CC2=C1C=NN2,1.1
+ASAP-0030028,O=C(NC1=CC=C2CNCC2=C1)C1=CC=CC2=C1C=C(C(F)(F)F)N2,1.5
+ASAP-0029933,CN1C(=O)NC2=C(C(=O)NC3=CC=C4CNCC4=C3)C=C(Br)C=C21,0.5
+ASAP-0029911,O=C(NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC2=C1NN=C2,1.2
+ASAP-0029645,N#CCCNC(=O)[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC(C2CC2)=C1,0.6
+ASAP-0029621,CNC(=O)[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC(C2CC2)=C1,0.9
+ASAP-0029711,O=C(NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC2=CC=NC=C12,0.6
+ASAP-0029521,CC1=C(C(=O)NC2=CC([C@H]3CCOC3)=CC=N2)C=C(C2CC2)N1C,3.0
+ASAP-0029491,O=C(NCC(F)F)[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC(C2CC2)=C1,1.6
+ASAP-0029352,O=C(NC1=CC=C2CNCC2=C1)C1=CC(Br)=CC2=C1N=C(C1=CC=CC=C1)N2,3.6
+ASAP-0029208,O=C1CC2=C(C=CC=C2C(=O)NC2=CC=C3CNCC3=C2)N1,0.3
+ASAP-0029000,CC(C)NC(=O)[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC2=C1C=NN2,0.5
+ASAP-0029051,O=C(NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC2=C1CCC2,1.8
+ASAP-0029092,CN1N=CC2=C(C(=O)NC3=CC=C4CNCC4=C3)C=C(Br)C=C21,1.0
+ASAP-0028981,CNC(=O)[C@H](NC1=CC(CN)=CC(C(=O)O)=C1)C1=CC(Cl)=CC(C2CC2)=C1,0.0
+ASAP-0028990,OCC#C[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC2=C1C=NN2,0.5
+ASAP-0028904,N#C[C@H](NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC2=C1C=NN2,0.9
+ASAP-0028903,CNC(=O)[C@H](NC1=CC(CN)=CC(C2=NNN=N2)=C1)C1=CC(Cl)=CC(C2CC2)=C1,1.5
+ASAP-0027928,O=C(NC1=CC(Cl)=CC([C@H]2CN(CC3=CC=CC=C3)C[C@@H]2C2=CC=CC(C3=NNN=N3)=C2)=C1)OCC1=CC=CC=C1,4.1
+ASAP-0027972,ClC1=CC=C2NC=C(CC3=CC=C(C4=NNN=N4)C=C3)C2=C1,2.1
+ASAP-0027989,O=C(NC1=CC(Cl)=CC([C@H](NC2=CC=CC(C3=NNN=N3)=C2)C(=O)NCC2=CC=CC=C2)=C1)OCC1=CC=CC=C1,3.7
+ASAP-0027983,C=CC[C@H](NC1=CC=C(C2=NNN=N2)C=C1)C1=CC(Cl)=CC(NC(=O)OCC2=CC=CC=C2)=C1,3.9
+ASAP-0027959,CNC(=O)[C@H](NC1=CC=C(C2=NN=NN2)C=C1)C1=CC(Cl)=CC(C2CC2)=C1,1.1
+ASAP-0027847,CC1=CC=CC=C1C1=NN=C(SC2=CC(C3=CC=CC=C3)=NC3=NC=NN23)O1,3.7
+ASAP-0027872,CCN1C(C)=NN=C1SC1=CC(C)=NC2=NC=NN12,-0.5
+ASAP-0027864,CC1=NC2=NC=NN2C(SC2=NN=C(C)O2)=C1,0.1
+ASAP-0027858,ClC1=CC=CC(C2=NN=C(SC3=CC(C4=CC=CC=C4)=NC4=NC=NN34)O2)=C1,4.1
+ASAP-0027841,CC1=NN=C(SC2=CC(C3=CC=CC=C3)=NC3=NC=NN23)O1,1.8
+ASAP-0027845,COC1=CC=C(C2=NN=C(SC3=CC(C)=NC4=NC=NN34)O2)C=C1,2.4
+ASAP-0027839,O=C(NC1=CC(Cl)=CC(C2=CC=C3NC(C(=O)O)=CC3=C2)=C1)OCC1=CC=CC=C1,3.7
+ASAP-0027846,O=C(O)CN1N=CC2=CC(C3=CC(Cl)=CC(NC(=O)OCC4=CC=CC=C4)=C3)=CC=C21,2.6
+ASAP-0027823,C=CC[C@H](NC1=CC=CC(C2=NNN=N2)=C1)C1=CC(Cl)=CC(NC(=O)OCC2=CC=CC=C2)=C1,4.1
+ASAP-0027763,C1=CC=C(C2=NC3=NC=NN3C(SC3=NN=C(N4CCOCC4)S3)=C2)C=C1,2.1
+ASAP-0027741,N#C[C@H](NC1=CC=CC(C2=NNN=N2)=C1)C1=CC(Cl)=CC(NC(=O)OCC2=CC=CC=C2)=C1,3.2
+ASAP-0027808,O=C(NC1=CC=C2CNCC2=C1)C1=CC(Cl)=CC2=C1C=NN2,0.9
+ASAP-0027804,N#C[C@H](NC1=CC=CC(C(=O)O)=C1)C1=CC(Cl)=CC2=C1C=NN2,0.6
+ASAP-0027768,NCC1=CC(C(=O)O)=CC([C@@H]2C[C@H]2C2=CC(Cl)=CC(NC(=O)OCC3=CC=CC=C3)=C2)=C1,2.7
+ASAP-0027762,CNCC1=NC2=NC=NN2C(SC2=NN=C(C3=CC=C(Cl)C=C3)N2C)=C1,0.7
+ASAP-0027759,CNC(=O)[C@H](NC1=CC(Cl)=CC(NC(=O)OCC2=CC=CC=C2)=C1)C1=CC=CC(C2=NNN=N2)=C1,2.2
+ASAP-0027758,CNC(=O)[C@H](NC1=CC=CC(C2=NNN=N2)=C1)C1=CC(Cl)=CC2=C1C=NN2,0.3
+ASAP-0027659,CC1=CSC(SC2=CC(C3=CC=CC=C3)=NC3=NC=NN23)=N1,2.9
+ASAP-0027661,COC1=CC=C(C2=NN=C(SC3=CC(C4=CC=CC=C4)=NC4=NC=NN34)N2C)C=C1,2.6
+ASAP-0027553,C1=CC=C(C2=NC3=NN=CN3C(SC3=NC(C4=CC=CC=N4)=NO3)=C2)C=C1,2.7
+ASAP-0023327,CCN1C(C)=NN=C1SC1=CC(C2=CC=CC=C2)=NC2=NC=NN12,1.4
+ASAP-0023462,O=C(O)COC1=CC=CC(NC(=O)C2=CC(Cl)=CC(NC(=O)OCC3=CC=CC=C3)=C2)=C1,1.8
+ASAP-0023443,CN1C(SC2=CC(C3=NOC=C3)=NC3=NC=NN23)=NN=C1C1=CC=C(Cl)C=C1,2.0
+ASAP-0023493,CC1=CC=C(C2=NN=C(SC3=CC(C4=CC=CC=C4)=NC4=NC=NN34)O2)C=C1,4.3
+ASAP-0023517,ClC1=CC=C(C2=CN=C(SC3=CC(C4=CC=CC=C4)=NC4=NN=CN34)O2)C=C1,4.2
+ASAP-0023516,COC1=CC=CC(C2=NN=C(SC3=CC(C4=CC=CC=C4)=NC4=NC=NN34)O2)=C1,4.1
+ASAP-0023274,O=C(NC1=CC(Cl)=CC(C(=O)NC2=CC=CC(N3N=NNC3=O)=C2)=C1)OCC1=CC=CC=C1,3.8
+ASAP-0023270,O=C(NC1=CC(Cl)=CC(C(=O)NC2=CC=CC(C3=NN=NN3)=C2)=C1)OCC1=CC=CC=C1,3.7
+ASAP-0023164,CC1=CC=C2OC(SC3=CC(C4=CC=CC=C4)=NC4=NC=NN34)=NC2=C1,4.4
+ASAP-0023249,O=C(N[C@H]1[C@H]2CCCCC[C@H]2[C@H]1C(=O)NC1=CC=CC(C2CCNCC2)=C1)OCC1=CC=CC=C1,2.8
+ASAP-0023183,COC1=CC=C(C2=NN=C(SC3=CC(C4=CC=CC=C4)=NC4=NC=NN34)O2)C=C1,4.0
+ASAP-0023182,ClC1=CC=C(C2=NN=C(SC3=CC(C4=CC=CC=C4)=NC4=NC=NN34)O2)C=C1,4.2
+ASAP-0023266,CC[C@H](CC1=NN=NN1)C1=CC=C(NC(=O)C2=CC(Cl)=CC(NC(=O)OCC3=CC=CC=C3)=C2)C=C1,4.1
+ASAP-0022872,CN1C(SC2=CC(C3=CC=CC=C3)=NC3=NC=NN23)=NN=C1C1=CC=NC=C1,1.4
+ASAP-0022831,C1=CC=C(C2=NC3=NC=NN3C(SC3=NC=CO3)=C2)C=C1,2.3
+ASAP-0022679,CC(C)COC1=NOC2=CC(OCCCC3=CC(C(=O)N(C)C)=NO3)=CC=C12,4.4
+ASAP-0022881,CC1=CC=C(C2=NN=C(SC3=CC(C4=CC=CC=C4)=NC4=NC=NN34)N2C)C=C1,3.0
+ASAP-0022528,CCC1=C(C2=CC=C(Cl)C=C2)SC(C(=O)NC2=CC=CC(CN)=C2)=C1,4.3
+ASAP-0022538,CC(C)C1=NC2=C(C(=O)NC3=CC=CC(CN)=C3)C=CC=C2N1,1.9
+ASAP-0022474,NCC1=CC=CC(NC(=O)C2=CC=CN3C=C(CN4CCCC4)N=C23)=C1,0.2
+ASAP-0021312,CN(C)C(=O)C1=NOC(CCCOC2=CC=C3C(OCC4CC4)=NOC3=C2)=C1,3.7
+ASAP-0021658,CCOC1=NOC2=CC(OCCCC3=CC(C(=O)N(C)C)=NO3)=CC=C12,3.5
+ASAP-0021134,CCOC1=NOC2=C(C)C(OCCCC3=CC(C(=O)N(C)C)=NO3)=CC=C12,4.0
+ASAP-0021262,CCOC1=NOC2=CC(OCCCC3=CC(C(=O)N(C)C)=NO3)=C(C)C=C12,4.0
+ASAP-0021070,C#CCCC1=CC=C(OCCCC2=CC(C(=O)N(C)C)=NO2)C=C1,3.5
+ASAP-0020849,NCC1=CC=CC(NC(=O)C2=CC(Cl)=CC(CN)=C2)=C1,-0.6
+ASAP-0020936,CN(C)C(=O)C1=NOC(CCCOC2=CC=CC(F)=C2)=C1,2.7
+ASAP-0020930,O=C1NC(=O)[C@H](CC2=NC3=C(COCC3)S2)C2=CC=CC=C12,0.6
+ASAP-0020875,CC1=CC(C2=NOC(C(F)(F)F)=N2)=CC=C1COCCC1=CC(C(=O)N(C)C)=NO1,3.5
+ASAP-0020904,C#CCCCCC1=CC=C(OCCCC2=CC(C(=O)N(C)C)=NO2)C=C1,4.4
+ASAP-0020843,CN(C)C(=O)C1=NOC(CCCOC2=CC=C(F)C=C2)=C1,2.6
+ASAP-0020827,CC1=CC(C2=NOC(C(F)(F)F)=N2)=CC=C1OCCCC1=NC(C2=CC=NC=C2)=NO1,4.5
+ASAP-0020873,CN(C)C(=O)C1=NOC(CCCOC2=CC=C(C3=NOC(C4CC4)=N3)C=C2)=C1,3.6
+ASAP-0020818,CN(C)C(=O)C1=NOC(CCCOC2=CC=C(CCC3CCNCC3)C=C2)=C1,0.5
+ASAP-0020915,O=C(NC1=CC(Cl)=CC(C(=O)NC2=CC=C3CNCC3=C2)=C1)OCC1=CC=CC=C1,2.8
+ASAP-0017673,O=C(O)C1=CC(Cl)=CC=C1S(=O)(=O)NC1CCN(C2=NC(C3CC3)=CC(C(F)(F)F)=N2)CC1,2.8
+ASAP-0017614,CC1=NN=C(CCCOC2=CC=C(C3=NOC(C(F)(F)F)=N3)C=C2C)N1,4.1
+ASAP-0017652,CN(C)C(=O)C1=NOC(CCCN2C=CC3=NC(C4=NOC(C(F)(F)F)=N4)=CC=C32)=C1,2.7
+ASAP-0017692,NCCC1=CC=C(NC(=O)C2=CC(Cl)=CC(NC(=O)OCC3=CC=CC=C3)=C2)C=C1,2.9
+ASAP-0017520,CC1=CC(OCC2=CC=CC=C2)=CC=C1NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)O,2.7
+ASAP-0017501,CCOC1=CC=CC(C2=CC=C(S(=O)(=O)NC3=CC=C(Cl)C=C3C(=O)O)C=C2)=C1,2.8
+ASAP-0017573,O=C(O)C1=CC(Cl)=CC=C1NS(=O)(=O)C1=CC=C(C2=CC=CC=C2Cl)C=C1,3.6
+ASAP-0017585,O=C(O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NC1=CC=C(OC2=CC=CC=C2Cl)C=C1,3.3
+ASAP-0017436,CCOC1=NOC2=CC(OCCC3CCN(C4=CC=C(C)N=N4)CC3)=CC=C12,3.0
+ASAP-0017440,CC1=CC(C2=NOC(C(F)(F)F)=N2)=CC=C1OCCCC1=NN=CO1,4.0
+ASAP-0017437,CN(C)C(=O)C1=NOC(CCCOC2=CC=C3CCCCC3=C2F)=C1,4.2
+ASAP-0017441,CCOC(=O)C1=CC=C(OCCC2CCN(C3=CC=C(C)N=N3)CC2)C=C1,4.1
+ASAP-0017292,CC1=NN=C(CCCOC2=CC=C(C3=NOC(C(F)(F)F)=N3)C=C2C)O1,4.4
+ASAP-0017303,CC1=CC(C2=NOC(C(F)(F)F)=N2)=CC=C1OCCCC1=CC(C(=O)N2CC[C@](C)(O)C2)=NO1,4.4
+ASAP-0017302,CC1=CC(C2=NOC(C(F)(F)F)=N2)=CC=C1OCCCC1=CC(C(=O)N2CC[C@@H](O)C2)=NO1,4.4
+ASAP-0017297,CN(C)C(=O)C1=NOC(CCCN2N=CC3=CC(C4=NOC(C(F)(F)F)=N4)=CC=C32)=C1,3.6
+ASAP-0017285,CC1=CC(C2=NOC(C(F)(F)F)=N2)=CC=C1OCCCC1=CNN=C1,4.0
+ASAP-0017296,CC1=NC(C2=CC=C(OCCCCCN3CCN(C4=CC=NC(N)=C4)C3=O)C=C2)=NO1,2.5
+ASAP-0017289,CC1=CC(C2=NOC(C(F)(F)F)=N2)=CC=C1OCCCC1=CN(C)N=C1,4.2
+ASAP-0017298,CCON=CC1=CC=C(OCCC2CCN(C3=CC=C(C)N=N3)CC2)C=C1,4.4
+ASAP-0017309,CC1=CC(C2=NOC(C(F)(F)F)=N2)=CC=C1CCOCC1=CC(C(=O)N(C)C)=NO1,4.0
+ASAP-0017305,CC1=CC(C2=NOC(C(F)(F)F)=N2)=CC=C1OCCCC1=CC(C(=O)N2CC[C@H](O)C2)=NO1,4.4
+ASAP-0017037,O=C1NC(=O)[C@@H](CC2=CC=C3OCOC3=C2)C2=CC=CC=C12,2.4
+ASAP-0016784,NCC1=CC=CC(NC(=O)C2=CC(OCC3=CC=CC=C3)=CC=C2CNC(=O)OCC2=CC=CC=C2)=C1,2.8
+ASAP-0016778,NCC1=CC=CC(NC(=O)CN(C(=O)OCC2=CC=CC=C2)C2=CC=C(OCC3=CC=CC=C3)C=C2)=C1,2.9
+ASAP-0016806,NCC1=CC=CC(NC(=O)C2=CC(Cl)=CC(NC(=O)OCC3=CC=CC=C3)=C2)=C1,2.7
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