Name: JAWD Molecular Library — Free 300 Sample
Creator: JAWD Molecule
License: https://jawdmolecule.com/#license

Library overview

Total size: ~1.5M molecules; high drug-likeness (QED-focused), PAINS filtering, strong Lipinski/Veber/Ghose compliance.
Broad chemical-space coverage with many unique and singleton scaffolds; low average Tanimoto similarity.
Deliverables: full dataset, property-selected sub-libraries (CNS-like, lead-like, logP/PSA windows, rotatable bonds, ring counts, scaffold filters, QED cutoffs), or entirely new on-demand AI generations.

Free samples — 300 molecules (on-page)

Use search or QED filter. Copy/paste directly or use the CSV link above.

CSV (embedded) — click to view

SMILES,QED,MW,LogP,HBA,HBD,PSA,RotBonds,Rings,AromaticRings,HeavyAtoms,Stereocenters,Lipinski,Veber,PAINS
Nc1ccnc(N2CCN(CC3CCCc4ccccc43)CC2)n1,0.939,323.4,2.3,5,1,58.3,3,4,2,24,1,0,Pass,0
CC(=O)Nc1nc2c(s1)CCN(CCc1ccccc1)CC2,0.943,315.4,2.74,4,1,45.2,4,3,2,22,0,0,Pass,0
Cc1ccc(Cc2cnc(NC3CCCC3)nc2)cc1,0.917,267.4,3.73,3,1,37.8,4,3,2,20,0,0,Pass,0
Cc1nc(N)ccc1CN1CCN(C(=O)c2ccccc2Cl)CC1,0.929,344.8,2.58,4,1,62.5,3,3,2,24,0,0,Pass,0
C[C@H](C(=O)NC1CCCC1)n1cnc2cc(Cl)ccc2c1=O,0.946,319.8,2.67,4,1,64.0,3,3,2,22,1,0,Pass,0
NC1=NC(=O)c2cccc(CN3CCN(Cc4ccccc4)C3)c21,0.933,320.4,1.82,4,1,61.9,4,4,2,24,0,0,Pass,0
Nc1ncnc2c1ncn2CCN1CC2CCC(C2)C1,0.907,272.4,1.14,6,1,72.9,3,4,2,20,2,0,Pass,0
O=C(O)CCc1ccccc1C(=O)N1CCN2Cc3ccccc3CC[C@@H]21,0.906,364.4,2.93,3,1,60.9,4,4,2,27,1,0,Pass,0
COC(=O)Nc1ccccc1C(=O)N1CCN(C2CCCCC2)CC1,0.915,345.4,2.96,4,1,61.9,3,3,1,25,0,0,Pass,0
Cn1cc(-c2ccc(F)cc2)nc1CCC(=O)O,0.902,248.3,2.24,3,1,55.1,4,2,2,18,0,0,Pass,0
NC1(CCCN2CCc3ccccc3Cc3ccccc32)CC1,0.928,306.5,3.91,2,1,29.3,4,4,2,23,0,0,Pass,0
COc1cc(NC(=O)c2ccc(Cl)cc2)cc(F)c1Cl,0.912,314.1,4.39,2,1,38.3,3,2,2,20,0,0,Pass,0
Cc1ccc(C(O)c2nc(Cl)cnc2N2CCCC2)cc1,0.946,303.8,3.12,4,1,49.3,3,3,2,21,1,0,Pass,0
O=C(O)c1ccccc1C1CCN(Cc2ccccc2)CC1,0.933,295.4,3.76,2,1,40.5,4,3,2,22,0,0,Pass,0
CC(C(=O)N1CCN(c2ccccc2Cl)CC1)C1CCCNC1=O,0.909,349.9,2.15,3,1,52.7,3,3,1,24,2,0,Pass,0
CC1(CCCC(=O)O)Sc2ccc(Br)cc21,0.912,301.2,4.02,2,1,37.3,4,2,1,16,1,0,Pass,0
Cc1cc(CCc2ccccc2)ccc1C(=O)N1CCC[C@H]1C(=O)O,0.909,337.4,3.47,2,1,57.6,5,3,2,25,1,0,Pass,0
NS(=O)(=O)c1ccc(CN2CCC(=O)c3ccccc32)cc1,0.938,316.4,1.93,4,1,80.5,3,3,2,22,0,0,Pass,0
CCNC(=O)[C@]1(Cc2ccccn2)Cc2ccccc2N1,0.903,281.4,2.17,3,2,54.0,4,3,2,21,1,0,Pass,0
Nc1nc(Cl)c(Oc2ccc(Cl)cc2)nc1Cl,0.913,290.5,3.81,4,1,61.0,2,2,2,17,0,0,Pass,0
Oc1nc2ccc(Cl)cc2nc1CCCN1CCC(O)CC1,0.905,321.8,2.38,5,2,69.5,4,3,2,22,0,0,Pass,0
Br.Cc1ccc(CNC(=O)OCc2ccccc2)cc1,0.916,336.2,4.0,2,1,38.3,4,2,2,20,0,0,Pass,0
CNc1ccnc(N2CCN(Cc3ccc(F)cc3)CC2)n1,0.935,301.4,1.98,5,1,44.3,4,3,2,22,0,0,Pass,0
c1ccc(CC2CCC(CN3CCc4ccccc4C3)CN2)cc1,0.925,320.5,3.66,2,1,15.3,4,4,2,24,2,0,Pass,0
NC1CCN(COC(c2ccccc2)c2ccccc2)CC1,0.921,296.4,3.17,3,1,38.5,5,3,2,22,0,0,Pass,0
CS(=O)(=O)c1ccccc1C(=O)NCc1ccc(F)cc1,0.941,307.3,2.16,3,1,63.2,4,2,2,21,0,0,Pass,0
C[C@@H]1CC[C@H](O)C[C@@H]1C(Cc1ccccc1)C(=O)N1CCCC1,0.926,315.5,3.26,2,1,40.5,4,3,1,23,4,0,Pass,0
NCC(=O)N1CCC(c2ccccc2)c2ccccc21,0.908,266.3,2.51,2,1,46.3,2,3,2,20,1,0,Pass,0
Nc1nc(NC2CCCC2)nc(-c2ccc(Cl)cc2)n1,0.908,289.8,3.13,5,2,76.7,3,3,2,20,0,0,Pass,0
Cc1ccccc1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1,0.932,337.4,2.39,3,1,52.7,4,3,2,25,0,0,Pass,0
CCOC(=O)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1,0.905,306.8,4.16,2,1,45.3,2,3,2,21,0,0,Pass,0
CNc1ccccc1C(=O)N1CCCC(c2ccccc2)C1,0.935,294.4,3.75,2,1,32.3,3,3,2,22,1,0,Pass,0
NC(=O)c1ccc(CN2CC(=O)Nc3ccc(Cl)cc32)cc1,0.913,315.8,2.4,3,2,75.4,3,3,2,22,0,0,Pass,0
NC1=Nc2ccc(CN(C(=O)N3CCCC3)c3cccc(Cl)c3)cc21,0.908,354.8,3.91,3,1,61.9,3,4,2,25,0,0,Pass,0
COC(=O)Nc1ccccc1C1CCN(c2ncccn2)CC1,0.943,312.4,3.04,5,1,67.3,3,3,2,23,0,0,Pass,0
COc1cccc(C2=CC(c3ccc(Cl)cc3)CCC(=O)N2)c1,0.908,327.8,4.38,2,1,38.3,3,3,2,23,1,0,Pass,0
COc1ccc2c(c1)CCNC2C(=O)N1CCN(c2ccccc2)CC1,0.921,351.5,2.23,4,1,44.8,3,4,2,26,1,0,Pass,0
CC(=O)NC1CCN(c2nccc(-c3cccs3)n2)CC1,0.945,302.4,2.31,5,1,58.1,3,3,2,21,0,0,Pass,0
O=C(O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1,0.924,317.2,1.84,3,1,60.9,3,2,1,20,0,0,Pass,0
Br.CCNC(=O)N1CCN(c2ccccc2)CC1,0.907,314.2,2.12,2,1,35.6,2,2,1,18,0,0,Pass,0
CC(=O)Nc1ccccc1[C@H]1C[C@@H](Cc2ccccc2)C[C@H]1O,0.904,309.4,3.74,2,2,49.3,4,3,2,23,3,0,Pass,0
CCCc1ccccc1C(=O)NC1CCN2CCCCC2C1,0.924,300.4,3.39,2,1,32.3,4,3,1,22,2,0,Pass,0
COc1ccccc1C(=O)NCC1CCN(c2ncccn2)CC1,0.912,326.4,2.13,5,1,67.3,5,3,2,24,0,0,Pass,0
O=C(O)CN1C[C@@H](c2ccccc2)c2ccccc2C1=O,0.939,281.3,2.36,2,1,57.6,3,3,2,21,1,0,Pass,0
Cc1cnccc1N1CCN(CCNC(=O)c2ccccc2)CC1,0.913,324.4,1.94,4,1,48.5,5,3,2,24,0,0,Pass,0
O=S(=O)(Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F,0.915,335.7,4.16,2,1,46.2,3,2,2,21,0,0,Pass,0
CC(=O)O.CCOc1ccc(OCC(F)(F)F)cc1,0.92,280.2,3.12,3,1,55.8,4,1,1,19,0,0,Pass,0
Cc1cccc(NCCN2CCN(c3cccc(Cl)c3)CC2)n1,0.911,330.9,3.28,4,1,31.4,5,3,2,23,0,0,Pass,0
OC1C[C@@H](Oc2ccccc2)CCCN1Cc1ccccc1,0.938,297.4,3.44,3,1,32.7,4,3,2,22,2,0,Pass,0
COc1ccc(F)cc1-c1cc(CN2CCOCC2)ccc1O,0.941,317.4,3.04,4,1,41.9,4,3,2,23,0,0,Pass,0
O=C1NC(O[C@@H]2Oc3cc(F)ccc3Cc3ccccc32)O1,0.926,301.3,2.85,4,1,56.8,2,4,2,22,2,0,Pass,0
CSC1CCc2nc(NCc3ccccc3)nnc21,0.927,272.4,2.83,5,1,50.7,4,3,2,19,1,0,Pass,0
C[C@@H](NC1CCN(c2ccccc2)CC1)c1ccccc1,0.91,280.4,4.01,2,1,15.3,4,3,2,21,1,0,Pass,0
CC(C(=O)NN1CCN(Cc2ccccc2)CC1)c1ccccc1,0.919,323.4,2.64,3,1,35.6,5,3,2,24,1,0,Pass,0
CCCC1=C(c2ccccc2)c2ccccc2OC1C(=O)O,0.922,294.4,4.13,2,1,46.5,4,3,2,22,1,0,Pass,0
NC(=O)Cc1ccccc1C(=O)N1CCCc2ccccc21,0.944,294.4,2.31,2,1,63.4,3,3,2,22,0,0,Pass,1
COc1ccc2c(c1O)CC(OCc1ccccc1)CC2,0.934,284.4,3.47,3,1,38.7,4,3,2,21,1,0,Pass,0
O=C(CN1CCCC(O)c2ccc(Cl)cc21)N1CCCCC1,0.91,322.8,2.99,3,1,43.8,2,3,1,22,1,0,Pass,0
O=S(=O)(NCc1ccccc1)c1cccc(Br)c1,0.939,326.2,2.93,2,1,46.2,4,2,2,18,0,0,Pass,0
CC(N)(Cc1ccncc1)C(=O)N1CCN(c2ccccc2)CC1,0.93,324.4,1.69,4,1,62.5,4,3,2,24,1,0,Pass,0
C[C@H](NC(=O)c1ccccc1)c1ccc2c(c1)C(=O)N1CCCC1CC2,0.919,348.4,3.73,2,1,49.4,3,4,2,26,2,0,Pass,0
CN1Cc2cc(Cl)ccc2CC1CCN1CCC(C(=O)O)CC1,0.918,336.9,2.88,3,1,43.8,4,3,1,23,1,0,Pass,0
CNc1cc(Br)ccc1C(=O)Nc1ccccc1F,0.9,323.2,3.88,2,2,41.1,3,2,2,19,0,0,Pass,0
CCn1cnc(C(=O)Nc2cccc(C(F)(F)F)c2)c1,0.94,283.3,3.17,3,1,46.9,3,2,2,20,0,0,Pass,0
COc1ccc(C(F)(F)F)cc1[C@@H]1[C@@H]2CCN1C[C@H]2O,0.907,287.3,2.45,3,1,32.7,2,3,1,20,4,0,Pass,0
Cc1ncccc1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1N1CCCCC1,0.936,335.5,3.27,3,1,45.2,3,4,2,25,2,0,Pass,0
FC(F)(F)c1ccccc1CNc1ccccn1,0.9,252.2,3.71,2,1,24.9,3,2,2,18,0,0,Pass,0
CN(CCC(=O)N1Cc2ccccc2C[C@H]1O)c1cccnc1,0.935,311.4,1.81,4,1,56.7,4,3,2,23,1,0,Pass,0
NC1=NC(c2ccccc2)CCN1c1ccc(Cl)cc1,0.916,285.8,3.61,3,1,41.6,2,3,2,20,1,0,Pass,0
C[C@@H](NC1=NC(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1,0.914,348.5,3.68,4,1,30.9,4,4,2,26,2,0,Pass,0
CCC(=O)N1CCc2nc(NC(=O)Cc3ccccc3)sc2C1,0.938,329.4,2.62,4,1,62.3,4,3,2,23,0,0,Pass,0
CC[C@@H]1C(=O)NCc2ccc(OCc3ccccc3)cc21,0.933,281.4,3.39,2,1,38.3,4,3,2,21,1,0,Pass,0
Cc1cccc(CCN2CCC(=O)Nc3cc(Cl)ccc32)n1,0.943,315.8,3.43,3,1,45.2,3,3,2,22,0,0,Pass,0
COc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1,0.919,296.2,4.25,2,1,38.3,3,2,2,19,0,0,Pass,0
CN(C1CC1)C1CC1c1ccccc1C1=NCCCN1,0.909,269.4,2.38,3,1,27.6,4,4,1,20,2,0,Pass,0
CNC(=O)c1ccc(N2CCc3ccccc3C2=O)cc1,0.917,280.3,2.25,2,1,49.4,2,3,2,21,0,0,Pass,0
O=C1NC(Cc2ccccc2)CN1Cc1ccc(Cl)cc1,0.921,300.8,3.48,1,1,32.3,4,3,2,21,1,0,Pass,0
CCNC1CCCCCN1C(=O)c1ccc(-c2ccccc2)cc1,0.91,322.5,4.31,2,1,32.3,4,3,2,24,1,0,Pass,0
Clc1ccccc1Oc1ccccc1[C@H]1CCNC1,0.904,273.8,4.21,2,1,21.3,3,3,2,19,1,0,Pass,0
Nc1ccc(Oc2cc(Br)c(Cl)cn2)cn1,0.924,300.5,3.27,4,1,61.0,2,2,2,16,0,0,Pass,0
Cc1c(C(=O)N2CCC[C@H]2C(=O)O)ccn1-c1ccccc1,0.947,298.3,2.47,3,1,62.5,3,3,2,22,1,0,Pass,0
Cc1ccccc1N1CCN(C(=O)CCC2CCCN2)c2ccccc21,0.906,349.5,4.01,3,1,35.6,4,4,2,26,1,0,Pass,0
NCCC1CCN(c2nccc(Cc3ccccc3)n2)CC1,0.921,296.4,2.63,4,1,55.0,5,3,2,22,0,0,Pass,0
Cc1cc(Cc2ccccc2)nc(O)c1Br,0.912,278.1,3.45,2,1,33.1,2,2,2,16,0,0,Pass,0
CN1CCN(c2nccc(Nc3ccccn3)n2)CC1,0.909,270.3,1.37,6,1,57.2,3,3,2,20,0,0,Pass,0
COc1cccc(NC(=O)N2CCN(CC3CC3)CC2)c1,0.924,289.4,2.25,3,1,44.8,4,3,1,21,0,0,Pass,0
COc1ccc(NN2CCN(Cc3ccccc3F)CC2)cc1,0.918,315.4,2.98,4,1,27.7,5,3,2,23,0,0,Pass,0
CCC1(C(=O)Nc2cccc(Cl)c2)CC2CCCN21,0.92,278.8,3.3,2,1,32.3,3,3,1,19,2,0,Pass,0
O=C(Nc1nccc(-c2ccccc2Br)n1)C(F)(F)F,0.907,346.1,3.41,3,1,54.9,2,2,2,20,0,0,Pass,0
N#Cc1cccc(NS(=O)(=O)c2ccc(F)cc2F)n1,0.939,295.3,2.03,4,1,82.9,3,2,2,20,0,0,Pass,0
O=C(NCc1ccccc1)c1ccc(F)c(N2CCNCC2)c1,0.909,313.4,2.17,3,2,44.4,4,3,2,23,0,0,Pass,0
NC(=O)c1ccccc1CN1CCN(c2ncccc2Cl)CC1,0.933,330.8,2.16,4,1,62.5,4,3,2,23,0,0,Pass,0
C[C@H](NC(=O)[C@@H]1C[C@@H]1Cc1ccccc1)N1Cc2ccccc2C...,0.916,320.4,3.34,2,1,32.3,5,4,2,24,3,0,Pass,0
CC(=O)N1CCCN(CCNC(=O)c2ccc(Cl)cc2)CC1,0.916,323.8,1.62,3,1,52.7,4,2,1,22,0,0,Pass,0
Oc1ccc2c(c1)OCCC21CCCN(CCc2ccccc2)C1,0.934,323.4,3.75,3,1,32.7,3,4,2,24,1,0,Pass,0
CC[C@@H]1C(=O)N(C(=O)Nc2ccccc2)c2ncc(Cl)cc21,0.916,315.8,3.81,3,1,62.3,2,3,2,22,1,0,Pass,0
CCN1CCc2ccc(NC(=O)c3ccccc3)cc21,0.924,266.3,3.32,2,1,32.3,3,3,2,20,0,0,Pass,0
COc1ccc2c(c1)C[C@H](NCCc1ccccc1)CC2,0.907,281.4,3.38,2,1,21.3,5,3,2,21,1,0,Pass,0
CN1C(=O)[C@H](Nc2nccnc2[C@H]2CN3CCC2C3)c2ccccc21,0.93,335.4,2.03,5,1,61.4,3,5,2,25,4,0,Pass,0
CC1(CCc2ccccc2)CCN1C(=O)Nc1cccnc1,0.934,295.4,3.71,2,1,45.2,4,3,2,22,1,0,Pass,0
CC1(N(Cc2ccccc2)C2C(=O)Nc3ccccc32)CCC1,0.921,306.4,4.12,2,1,32.3,4,4,2,23,1,0,Pass,0
CCC(=O)N(c1ccccc1O)C1CCCc2ccccc21,0.921,295.4,4.21,2,1,40.5,3,3,2,22,1,0,Pass,0
O=C(O)Cc1ccccc1CSC(=O)N1CCc2ccccc2C1,0.921,341.4,3.73,3,1,57.6,4,3,2,24,0,0,Pass,0
O=C(NCCN1CCC2CCCCC2O1)c1ccccc1,0.926,288.4,2.61,3,1,41.6,4,3,1,21,2,0,Pass,0
CCN1CCCCC(CNC(=O)c2ccc(Cl)cc2)C1,0.925,294.8,3.19,2,1,32.3,4,2,1,20,1,0,Pass,0
CC(C(=O)O)c1ccccc1Cc1cc(F)ccc1F,0.923,276.3,3.74,1,1,37.3,4,2,2,20,1,0,Pass,0
COc1cccc([C@H]2C[C@H](Cc3cc(F)ccc3F)NC2=O)c1,0.94,317.3,3.19,2,1,38.3,4,3,2,23,2,0,Pass,0
C[C@H]1CCN(Cc2ccccc2)C(=O)NC1c1ccccc1,0.912,294.4,3.98,1,1,32.3,3,3,2,22,2,0,Pass,0
COc1ccc2c(c1)CCCN(Cc1cnc[nH]1)C2,0.917,257.3,2.37,3,1,41.1,3,3,2,19,0,0,Pass,0
NS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1,0.909,345.4,1.3,4,1,83.7,3,3,2,24,0,0,Pass,0
C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2OC(F)(F)F)C1,0.926,323.3,3.05,3,1,55.4,4,2,1,21,2,0,Pass,0
CC(=O)Nc1ccccc1N1CCN(C(=O)c2ccncc2)CC1,0.938,324.4,2.0,4,1,65.5,3,3,2,24,0,0,Pass,0
CN(Cc1ccccc1)C(=O)S(=O)(=O)N1C[C@H](F)C[C@@H]1O,0.9,316.4,0.93,4,1,77.9,3,2,1,21,2,0,Pass,0
CNCC1CCCCN1c1cccc(Cl)c1Cl,0.905,273.2,3.57,2,1,15.3,3,2,1,17,1,0,Pass,0
Cc1cc(Cl)cc(Cl)c1C(=O)NCCN1CC2CCCN2C1=O,0.902,356.3,2.93,2,1,52.7,4,3,1,23,1,0,Pass,0
O=C(NC(=O)c1ccc2c(c1)CO2)OCc1ccc(F)cc1,0.946,301.3,2.78,4,1,64.6,3,3,2,22,0,0,Pass,0
CCN1c2ncccc2CC1C(=O)Nc1ccc(C(F)(F)F)cc1,0.934,335.3,3.49,3,1,45.2,3,3,2,24,1,0,Pass,0
NC(=O)c1cccc(CN2CCc3ccccc3C2=O)n1,0.923,281.3,1.38,3,1,76.3,3,3,2,21,0,0,Pass,0
O=C(Nc1ccc(F)cc1F)N1CCN(CCc2ccccc2)CC1,0.922,345.4,3.36,2,1,35.6,4,3,2,25,0,0,Pass,0
CCCC1CNC(=O)CC1(c1ccccc1)c1ccccc1,0.91,293.4,3.91,1,1,29.1,4,3,2,22,1,0,Pass,0
Cc1cccc(C2=NOC(c3ccccc3)C(=O)N2)c1,0.908,266.3,2.54,3,1,50.7,2,3,2,20,1,0,Pass,0
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCCC1,0.925,290.4,2.31,3,1,58.6,4,2,1,21,1,0,Pass,0
COc1cc(C(=O)O)cn1-c1cccc(C(F)(F)F)c1,0.942,285.2,3.2,3,1,51.5,3,2,2,20,0,0,Pass,0
CC(OC(=O)n1ccc(-c2ccccc2)c1)C(=O)O,0.919,259.3,2.61,4,1,68.5,3,2,2,19,1,0,Pass,0
CC[C@H]1CNC(=O)C(c2ccccc2)(c2ccccc2)C1,0.915,279.4,3.52,1,1,29.1,3,3,2,21,1,0,Pass,0
O=C(NC1CCN(Cc2ccccc2)C1)c1ccc2c(c1)CCN2,0.91,321.4,2.66,3,2,44.4,4,4,2,24,1,0,Pass,0
CCCNC(=O)C1(CC(F)(F)F)CCCN1c1ccccc1,0.902,314.4,3.5,2,1,32.3,5,2,1,22,1,0,Pass,0
Fc1ccc(CN2NCCC2=NN2CCCCC2)cc1,0.919,276.4,2.34,3,1,30.9,3,3,1,20,0,0,Pass,0
CCC(CC(=O)O)N1CCC(N2CCc3ccccc3C2)CC1,0.907,316.4,2.76,3,1,43.8,5,3,1,23,1,0,Pass,0
Cc1ccc(F)cc1C(=O)NC(=O)N1CCN(Cc2ccccc2)CC1,0.921,355.4,2.8,3,1,52.7,3,3,2,26,0,0,Pass,0
CC(C(=O)Nc1ccccc1)C1CC(=O)N2Cc3ccccc3C[C@H]12,0.937,334.4,3.23,2,1,49.4,3,4,2,25,3,0,Pass,0
CC(NC(=O)c1cccc(Cl)c1)N1CCN(C2CCCCC2)CC1,0.905,349.9,3.37,3,1,35.6,4,3,1,24,1,0,Pass,0
CN(CC1CCCNC1=O)c1cc2ccccc2s1,0.933,274.4,2.86,3,1,32.3,3,3,2,19,1,0,Pass,0
CCCc1nc2c(c(F)c1CO)C(=O)N[C@H]2c1ccc(F)cc1,0.911,318.3,2.64,3,2,62.2,4,3,2,23,1,0,Pass,0
CC1CC(CCN2C(=O)CCNC2=O)c2ccccc21,0.919,272.3,2.61,2,1,49.4,3,3,1,20,2,0,Pass,0
Cc1ccc(O)nc1C(=O)N[C@@H]1CCN(c2ccccc2)C1,0.91,297.4,2.1,4,2,65.5,3,3,2,22,1,0,Pass,0
Cc1cc(C#N)ccc1C(=O)NC1CCN(Cc2ccccc2)CC1,0.934,333.4,3.26,3,1,56.1,4,3,2,25,0,0,Pass,0
CN1CCC2(c3ccccc3)C=CC(Oc3cccc(O)c3)=C12,0.935,305.4,3.83,3,1,32.7,3,4,2,23,1,0,Pass,0
CCCC(=O)N[C@H]1Cc2ccccc2C[C@H]1c1ccccn1,0.94,294.4,3.25,2,1,42.0,4,3,2,22,2,0,Pass,0
O=C(O)c1cccc2c1OCC(Cc1ccccc1)C2,0.93,268.3,3.18,2,1,46.5,3,3,2,20,1,0,Pass,0
CN(Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C#N,0.911,300.4,1.34,3,1,76.4,4,2,1,22,1,0,Pass,0
CCN(C(=O)O)C(=O)OC(c1ccccc1)c1ccccc1,0.929,299.3,3.91,3,1,66.8,4,2,2,22,0,0,Pass,0
CCOC(=O)N1CCC(Nc2cccc3ccccc23)CC1,0.935,298.4,3.87,3,1,41.6,3,3,2,22,0,0,Pass,0
CCCCC(=O)NC(=O)N1CCC(c2ccccc2)CC1,0.924,288.4,3.29,2,1,49.4,4,2,1,21,0,0,Pass,0
Cc1cc2c(cc1Cl)N(CC(=O)Nc1ccccn1)CC2,0.948,301.8,3.04,3,1,45.2,3,3,2,21,0,0,Pass,0
O=C(Cc1ccccc1Cl)Nc1nccs1,0.913,252.7,2.98,3,1,42.0,3,2,2,16,0,0,Pass,0
Cc1ccc(-c2ccc(O)c(CN3CCCCC3)c2)cc1,0.904,281.4,4.35,2,1,23.5,3,3,2,21,0,0,Pass,1
CCN1Cc2cc(C(=O)Nc3ccccc3)ccc21,0.909,252.3,3.28,2,1,32.3,3,3,2,19,0,0,Pass,0
COc1cccc([C@@H]2CCC(c3ccccc3)CNC2)c1,0.92,281.4,3.95,2,1,21.3,3,3,2,21,2,0,Pass,0
N[C@@H](CC1CCCC1)C(=O)N1CCN(c2ccccc2)CC1,0.928,301.4,2.24,3,1,49.6,4,3,1,22,1,0,Pass,0
CC1(C(=O)NN2CCC(c3ccccc3)C2)CCc2ccccc21,0.94,320.4,3.41,2,1,32.3,3,4,2,24,2,0,Pass,0
CC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCCC1,0.914,339.2,2.12,2,1,49.4,4,2,1,20,1,0,Pass,0
Br.O=C1C(/C=C/c2cccc(O)c2)=Nc2ccccc21,0.906,330.2,3.95,3,1,49.7,2,3,2,20,0,0,Pass,0
COc1cccc(OCc2cnc(O)c(Cl)n2)c1,0.921,266.7,2.42,5,1,64.5,4,2,2,18,0,0,Pass,0
CNC(=O)N1CC(Cc2ccccc2)Cc2ccccc21,0.9,280.4,3.25,1,1,32.3,2,3,2,21,1,0,Pass,0
CN1CCN(c2nc3ccccc3cc2C2CCNCC2)C1,0.922,296.4,2.41,4,1,31.4,2,4,2,22,0,0,Pass,0
C[C@H](Nc1ccccc1)C(=O)N1CCC(=O)N2CCCC[C@H]21,0.93,301.4,2.06,3,1,52.7,3,3,1,22,2,0,Pass,0
Cn1cc(NC(=O)c2ccc(N3CCNCC3)cc2)nc1C1CC1,0.902,325.4,1.96,5,2,62.2,4,4,2,24,0,0,Pass,0
O=C(Nc1cccc(Cl)c1)NC1CCN(c2ncccn2)CC1,0.907,331.8,2.92,4,2,70.2,3,3,2,23,0,0,Pass,0
CN(Cc1ccc(F)cc1)C(=O)Nc1cccnc1,0.921,259.3,2.88,2,1,45.2,3,2,2,19,0,0,Pass,0
Cc1ncc(Nc2ccccc2)nc1Br,0.904,264.1,3.29,3,1,37.8,2,2,2,15,0,0,Pass,0
O=C1Nc2ccc(Cl)cc2CN1Cc1ccccn1,0.913,273.7,3.28,2,1,45.2,2,3,2,19,0,0,Pass,0
CC(=O)NS(=O)(=O)c1ccc(CCc2ccccc2)cc1,0.922,303.4,2.3,3,1,63.2,5,2,2,21,0,0,Pass,0
CCS(=O)(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1,0.911,311.8,3.89,3,1,55.4,5,2,2,20,0,0,Pass,0
Cn1c(CNC(=O)c2ccc(Cl)cc2)cnc1C1CCCC1,0.935,317.8,3.66,3,1,46.9,4,3,2,22,0,0,Pass,0
Oc1ccc(CCN2N=C3CN(c4cccc(F)c4)CCC32)cc1,0.939,325.4,3.02,4,1,39.1,4,4,2,24,1,0,Pass,0
CCCS(=O)(=O)N1CCCC2CNC(=O)c3ccccc3C21,0.924,322.4,1.92,3,1,66.5,3,3,1,22,2,0,Pass,0
C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)O,0.905,263.3,1.98,3,1,66.8,3,2,1,19,2,0,Pass,0
O=C(Nc1cccnc1)N1CCN(C2CCCCC2)OC1=O,0.909,304.4,2.62,5,1,74.8,2,3,1,22,0,0,Pass,0
CC(C#N)NS(=O)(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1,0.913,354.4,3.56,3,1,70.0,4,2,2,24,1,0,Pass,0
COc1ccc(C(=O)O)c2c1CCC2c1ccccn1,0.93,269.3,2.87,3,1,59.4,3,3,2,20,1,0,Pass,0
O=C1N[C@@H]2CSCN2[C@H](Cc2ccccc2)CN1Cc1ccccc1,0.917,353.5,3.16,3,1,35.6,4,4,2,25,2,0,Pass,0
CC(N)C(=O)N(C(=O)c1ccc(Cl)cc1)c1ccccc1,0.948,302.8,2.86,3,1,63.4,3,2,2,21,1,0,Pass,0
COc1ccc([C@@H]2CNC[C@H]2c2ccccc2)cc1,0.907,253.3,3.17,2,1,21.3,3,3,2,19,2,0,Pass,0
O=C1NC(c2ccccc2)CCCN1Cc1ccncc1,0.939,281.4,3.13,2,1,45.2,3,3,2,21,1,0,Pass,0
COc1ccc(C(=O)Nc2cnc(Cl)c(Cl)n2)cc1,0.946,298.1,3.04,4,1,64.1,3,2,2,19,0,0,Pass,0
O=C(Nc1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1,0.908,336.4,3.5,2,1,49.4,5,3,2,25,0,0,Pass,0
CC(Nc1ccc2c(c1)CCCc1ccccc1-2)C(=O)O,0.901,281.4,3.73,2,2,49.3,3,3,2,21,1,0,Pass,0
NCCN1CCC[C@H](OC2=NCCc3ccccc32)C1,0.906,273.4,1.43,4,1,50.8,3,3,1,20,1,0,Pass,0
Cc1cc(NC(=O)c2ccccc2)ccc1CC1=NCCN1,0.91,293.4,2.79,3,2,53.5,4,3,2,22,0,0,Pass,0
COc1ccccc1COC1c2ccccc2OCC1C(=O)O,0.919,314.3,3.05,4,1,65.0,5,3,2,23,2,0,Pass,0
CC(O)(C(=O)Nc1ccccc1Cl)C1CCc2ccccc21,0.906,315.8,3.76,2,2,49.3,3,3,2,22,2,0,Pass,0
NCCCN1CCC2=C(c3ccccc3)c3ccccc3C21,0.932,290.4,3.6,2,1,29.3,4,4,2,22,1,0,Pass,0
N[C@@H]1CN(c2ccccc2)CCN1C(=O)OCc1ccccc1,0.946,311.4,2.43,4,1,58.8,3,3,2,23,1,0,Pass,0
O=C(NN1CCN(c2ccccc2C(F)(F)F)CC1)n1ccnc1,0.911,339.3,2.2,5,1,53.4,2,3,2,24,0,0,Pass,0
O=C(O)c1ccc(N2CCc3ccccc3C2=O)cc1,0.909,267.3,2.59,2,1,57.6,2,3,2,20,0,0,Pass,0
CCC1C(=O)N(c2ccccc2)c2ncc(C(=O)O)c(=O)n21,0.928,299.3,1.57,5,1,92.5,3,3,2,22,1,0,Pass,0
O=C(O)c1cccc(NC(=O)N2CCC(c3ccccc3)CC2)c1,0.902,324.4,3.8,2,2,69.6,3,3,2,24,0,0,Pass,0
O=C(NCc1ccccc1)Oc1ccccc1Br,0.938,306.2,3.74,2,1,38.3,3,2,2,18,0,0,Pass,0
CC1CC(CC(=O)O)CN1C(=O)c1ccc(F)cc1,0.911,265.3,2.15,2,1,57.6,3,2,1,19,2,0,Pass,0
CCC1(C(=O)O)OC(c2ccccc2)c2ccc(Cl)cc21,0.926,302.8,4.15,2,1,46.5,3,3,2,21,2,0,Pass,0
CCOC(=O)N1CCCC(Nc2ccc(Cl)cc2)CC1,0.923,296.8,3.76,3,1,41.6,3,2,1,20,1,0,Pass,0
NC(=O)c1cccc(N2CCC(c3ccc(F)cc3F)CC2)c1,0.943,316.4,3.45,2,1,46.3,3,3,2,23,0,0,Pass,0
CC(=O)N[C@@H]1CCN(c2ccccc2)[C@H]1c1ccc(Cl)cc1,0.934,314.8,3.8,2,1,32.3,3,3,2,22,2,0,Pass,0
Nc1nc2c(s1)CCC(C(=O)NCc1ccccc1)C2,0.909,287.4,2.15,4,2,68.0,3,3,2,20,1,0,Pass,0
O=C(O)[C@@H]1Cc2c(OCc3ccccc3)cccc2O1,0.928,270.3,2.65,3,1,55.8,4,3,2,20,1,0,Pass,0
COc1ccc2c(c1)CCN(c1ccccc1)C2C(=O)O,0.941,283.3,2.88,3,1,49.8,3,3,2,21,1,0,Pass,0
CC(=O)Nc1ccc2c(c1)CCCC2Nc1cccnc1,0.905,281.4,3.53,3,2,54.0,3,3,2,21,1,0,Pass,0
O=C(O)CN1CCC2(CCCC2)C(=O)N1CCc1ccccc1,0.905,316.4,2.32,3,1,60.9,5,3,1,23,0,0,Pass,0
COc1cccc(/C=C2\CNC(=O)N2Cc2ccccc2)c1,0.94,294.4,3.26,2,1,41.6,4,3,2,22,0,0,Pass,0
c1ccc([C@H]2CCCN2CCNc2cccnc2)cc1,0.9,267.4,3.33,3,1,28.2,5,3,2,20,1,0,Pass,0
NC(=O)Oc1cccc(-c2ccccc2Br)c1,0.919,292.1,3.57,2,1,52.3,2,2,2,17,0,0,Pass,0
NC(=O)CN1CCc2ccccc2C(c2ccccc2)C1,0.936,280.4,2.16,2,1,46.3,3,3,2,21,1,0,Pass,0
CC(COc1ccccc1)NC(=O)c1ccccc1Cl,0.914,289.8,3.54,2,1,38.3,5,2,2,20,1,0,Pass,0
O=C(O)C1c2ccccc2C(=O)N1Cc1c(F)cccc1F,0.948,303.3,2.75,2,1,57.6,3,3,2,22,1,0,Pass,0
Cc1ncccc1C(=O)Nc1ccc([C@@H]2CCNC2)cc1,0.909,281.4,2.72,3,2,54.0,3,3,2,21,1,0,Pass,0
CC(O)c1ccccc1CN1CCC(c2ccccc2)CC1,0.917,295.4,4.12,2,1,23.5,4,3,2,22,1,0,Pass,0
C[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)N1C[C@@H]1O[C@H]2...,0.919,349.5,3.37,3,1,32.7,4,5,2,26,6,0,Pass,0
CC(=O)Nc1ccccc1N1CCN(c2ccccc2Cl)CC1,0.934,329.8,3.63,3,1,35.6,3,3,2,23,0,0,Pass,0
O=C1CCC(NC(c2ccccc2)c2ccccc2)C1,0.917,265.4,3.49,2,1,29.1,4,3,2,20,1,0,Pass,0
NC(=O)c1ccc(Cl)cc1N1CCN(Cc2ccccc2)CC1,0.938,329.8,2.76,3,1,49.6,4,3,2,23,0,0,Pass,0
COc1ccc(-c2cccc(N3CCCC3)c2)cc1O,0.922,269.3,3.67,3,1,32.7,3,3,2,20,0,0,Pass,0
CC1(C(=O)Nc2ccc(F)cc2)CC(c2ccccc2F)=N1,0.925,300.3,3.56,2,1,41.5,3,3,2,22,1,0,Pass,0
CCCCC(O)c1cc(Br)c2ccccc2n1,0.915,294.2,4.22,2,1,33.1,4,2,2,17,1,0,Pass,0
CCc1nc(N)n(C)c1-c1ccc(Cl)cc1Cl,0.907,270.2,3.54,3,1,43.8,2,2,2,17,0,0,Pass,0
CC(=O)N1CCC(CNC(=O)C2CCCN(c3ccccc3)CC2)C1,0.912,343.5,2.28,3,1,52.7,4,3,1,25,2,0,Pass,0
COc1ccc2c(c1)CCCNC2CCN1CCCCCC1,0.92,302.5,3.54,3,1,24.5,4,3,1,22,1,0,Pass,0
O=C1CCN(CCc2ccccc2N2CCNc3ccccc32)C1,0.939,321.4,3.07,4,1,35.6,4,4,2,24,0,0,Pass,0
CCCc1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@@H]2O,0.921,282.4,3.92,2,1,29.5,4,3,2,21,2,0,Pass,0
CSCCN1CC[C@@H]([C@@H]2CCCN2)c2ccccc21,0.91,276.4,3.1,3,1,15.3,4,3,1,19,2,0,Pass,0
CC(C(=O)O)c1cccc(C2CCN(Cc3ccccc3)CC2=O)c1,0.908,337.4,3.43,3,1,57.6,5,3,2,25,2,0,Pass,0
NCC[C@H]1CCC(c2cccc(F)c2F)c2ncccc21,0.935,288.3,3.72,2,1,38.9,3,3,2,21,2,0,Pass,0
COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cn1,0.925,341.6,3.76,3,1,51.2,3,2,2,19,0,0,Pass,0
CCN1c2ncccc2CC1C(=O)Nc1ccc(Cl)cc1,0.947,301.8,3.12,3,1,45.2,3,3,2,21,1,0,Pass,0
Clc1ccc(N[C@H]2CCC[C@@H](N3CCCCC3)O2)cc1,0.909,294.8,4.09,3,1,24.5,3,3,1,20,2,0,Pass,0
O=C(COc1ccc(Cl)cc1)NCc1ccccc1,0.911,275.7,3.04,2,1,38.3,5,2,2,19,0,0,Pass,0
CC1(C(=O)Nc2ccc(Cl)cc2)CCC[C@H]1N1CCCC1,0.917,306.8,3.93,2,1,32.3,3,3,1,21,2,0,Pass,0
COc1ccc(O)nc1N1CCN(C2CCCCC2)CC1,0.925,291.4,2.25,5,1,48.8,3,3,1,21,0,0,Pass,0
Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)nc1,0.942,282.8,2.84,3,1,59.1,3,2,2,18,0,0,Pass,0
CCC(=C1NS(=O)(=O)c2ccccc21)c1ccccc1,0.92,285.4,3.26,2,1,46.2,2,3,2,20,0,0,Pass,0
NCc1ccccc1CN1CCN(C(=O)c2ccccc2)CC1,0.941,309.4,2.1,3,1,49.6,4,3,2,23,0,0,Pass,0
COc1ccc(O)cc1CN1CCC(c2ccccc2)CC1,0.932,297.4,3.78,3,1,32.7,4,3,2,22,0,0,Pass,0
CC(=O)Nc1cccc(Cl)c1S(=O)(=O)c1ccc(Cl)cc1,0.922,344.2,3.78,3,1,63.2,3,2,2,21,0,0,Pass,0
CN(Cc1ccccc1)C1(C(=O)O)Cc2cc(C(F)(F)F)ccc21,0.927,335.3,3.67,2,1,40.5,4,3,2,24,1,0,Pass,0
Cc1ccc(O)c(=O)n1CCc1ccc(F)c(F)c1,0.925,265.3,2.38,3,1,42.2,3,2,2,19,0,0,Pass,0
O=C(Nc1ccncn1)N1CCN(Cc2ccccc2)CC1,0.939,297.4,1.83,4,1,61.4,3,3,2,22,0,0,Pass,0
COc1ccccc1-c1ccc(C(=O)N2CCC[C@H]2C(=O)O)cc1,0.938,325.4,3.05,3,1,66.8,4,3,2,24,1,0,Pass,0
O=C1CN(c2ccccc2)CCN1CCc1ccc(O)cc1,0.941,296.4,2.28,3,1,43.8,4,3,2,22,0,0,Pass,0
CCC(O)c1cccc2c1CCc1ccccc1C2=O,0.903,266.3,3.46,2,1,37.3,2,3,2,20,1,0,Pass,0
COc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNCC2,0.919,286.8,3.25,3,1,33.6,2,3,2,20,0,0,Pass,0
COc1ccc2c(c1)Cc1c(Cl)cc(Cl)cc1C2CO,0.907,309.2,4.03,2,1,29.5,2,3,2,20,1,0,Pass,0
C[C@H](NC(=O)c1ccc(Br)cc1)N1CCCC1,0.93,297.2,2.62,2,1,32.3,3,2,1,17,1,0,Pass,0
CC(Cc1c[nH]cn1)c1cc(Br)c(Br)cn1,0.922,345.0,3.68,2,1,41.6,3,2,2,16,1,0,Pass,0
O=C(O)C1CN=C(Sc2ccc(Cl)cc2Cl)C1,0.905,290.2,3.59,3,1,49.7,2,2,1,17,1,0,Pass,0
CN(Cc1ccccc1)C(=O)NC1CCN(c2ccccc2Cl)C1,0.917,343.9,3.76,2,1,35.6,4,3,2,24,1,0,Pass,0
O=C(Nc1cncc(Oc2ccccc2)n1)C1CCCNC1,0.905,298.3,2.21,5,2,76.1,4,3,2,22,1,0,Pass,0
O[C@H]1c2ccccc2C[C@H]1N1CCN(C2CCCC2)CC1,0.903,286.4,2.2,3,1,26.7,2,4,1,21,2,0,Pass,0
Cc1cc(NS(=O)(=O)c2ccccc2)cnc1COC(F)(F)F,0.902,346.3,3.23,4,1,68.3,5,2,2,23,0,0,Pass,0
CC(=O)N[C@H]1c2ccccc2C[C@H]1Oc1ccccn1,0.929,268.3,2.26,3,1,51.2,3,3,2,20,2,0,Pass,0
O=C(O)CCN1CCC(n2nccc2-c2cccnc2)CC1,0.915,300.4,2.06,5,1,71.2,5,3,2,22,0,0,Pass,0
CC(=O)NC[C@H]1CN(c2ccc(C(F)(F)F)cc2Cl)C(=O)O1,0.923,336.7,2.82,3,1,58.6,3,2,1,22,1,0,Pass,0
CN(C(=O)CN1CCc2ccccc2C1)C(=O)NCc1ccccc1,0.932,337.4,2.41,3,1,52.7,4,3,2,25,0,0,Pass,0
O=C(Nc1ncccc1Cl)c1ccc(Cl)cn1,0.91,268.1,3.04,3,1,54.9,2,2,2,17,0,0,Pass,0
Cc1cccc(S(=O)(=O)Nc2ccccc2Br)n1,0.943,327.2,2.95,3,1,59.1,3,2,2,18,0,0,Pass,0
CCC(=O)N[C@H]1CN(c2ccccc2)CO[C@@H]1c1ccc(F)cc1,0.937,328.4,3.26,3,1,41.6,4,3,2,24,2,0,Pass,0
CC(=O)N1CCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1,0.94,323.4,2.41,3,1,52.7,4,3,2,24,0,0,Pass,0
Cc1ccc2c(c1)CCC(=O)C2NC1CCN(Cc2ccccc2)CC1,0.912,348.5,3.81,3,1,32.3,4,4,2,26,1,0,Pass,0
CCc1ccc2c(c1)CCN2C(=O)NCc1ccccc1,0.916,280.4,3.52,1,1,32.3,3,3,2,21,0,0,Pass,0
CCn1cc(-c2cccc(Cl)c2)nc1CN1CCN(O)CC1,0.941,320.8,2.73,5,1,44.5,4,3,2,22,0,0,Pass,0
COc1ccc2c(c1)[C@H]1CC[C@H]1C[C@@H]2NS(=O)(=O)c1ccc...,0.902,361.4,3.75,3,1,55.4,4,4,2,25,3,0,Pass,0
O=C(O)CCN1CCC2(CCCC2)C(=O)c2ccccc21,0.928,287.4,3.11,3,1,57.6,3,3,1,21,0,0,Pass,0
Cc1ncccc1C(=O)NC1CCc2ccccc2C1,0.908,266.3,2.68,2,1,42.0,2,3,2,20,1,0,Pass,0
Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1,0.926,333.4,3.75,2,1,46.2,4,3,2,23,2,0,Pass,0
CC1CCC(CCNc2nnc3ccccc3n2)C1,0.912,256.4,3.26,4,1,50.7,4,3,2,19,2,0,Pass,0
COc1cc(NC(=O)c2ccc(F)cc2)ccc1CO,0.901,275.3,2.58,3,2,58.6,4,2,2,20,0,0,Pass,0
CC(Cc1ccc(F)cn1)C(=O)Nc1ccccc1,0.915,258.3,3.04,2,1,42.0,4,2,2,19,1,0,Pass,0
C[C@@H]1CC[C@H]2C(=O)N3CCN(CCc4ccccc4)CCC[C@]3(CO)...,0.902,356.5,2.56,3,1,43.8,4,4,1,26,4,0,Pass,0
NC(C(=O)N1CCC2(CCc3ccccc32)CC1)c1ccccc1,0.923,320.4,3.19,2,1,46.3,2,4,2,24,1,0,Pass,0
Cc1cc(C(=O)Nc2ccc(F)cc2)nc(N2CCOCC2)n1,0.938,316.3,2.01,5,1,67.4,3,3,2,23,0,0,Pass,0
CCN(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O,0.908,306.4,2.79,3,1,70.1,5,2,1,22,1,0,Pass,0
C[C@@H](Nc1cccc(Cl)c1)C(=O)N1CCC(N2CCCCC2)CC1,0.901,349.9,3.62,3,1,35.6,4,3,1,24,1,0,Pass,0
COc1ccc2c(c1)C1(CCN1Cc1ccccc1)NC(=O)CC2,0.945,322.4,2.82,3,1,41.6,3,4,2,24,1,0,Pass,0
CNC(=O)c1ccc2c(c1)CN(Cc1ccc(Cl)cc1)CC2,0.943,314.8,3.26,2,1,32.3,3,3,2,22,0,0,Pass,0
CN1C(=O)[C@H](Cc2ccccc2Cl)N[C@@H]1c1ccccc1,0.945,300.8,3.01,2,1,32.3,3,3,2,21,2,0,Pass,0
CN1CCN(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)CC1,0.905,350.5,2.51,3,1,38.8,2,4,2,26,1,0,Pass,0
COc1cc(Cl)ccc1C(=O)Nc1cccc2c1OCCO2,0.942,319.7,3.37,4,1,56.8,3,3,2,22,0,0,Pass,0
Cn1cc(CC(=O)O)cc1CN1CCN(c2ccccc2)CC1,0.917,313.4,1.97,4,1,48.7,5,3,2,23,0,0,Pass,0
O=C(O)C1=CC(=O)C(c2ccccc2)=C(Cc2ccccc2)C1,0.937,304.3,3.67,2,1,54.4,4,3,2,23,0,0,Pass,0
Cc1cc(CNC2=NCCN2)ccc1-c1ccc(Cl)cc1,0.912,299.8,3.36,3,2,36.4,3,3,2,21,0,0,Pass,0
c1ccc(CCNC2CCCN3CCc4ccccc4C3C2)cc1,0.917,320.5,3.97,2,1,15.3,4,4,2,24,2,0,Pass,0
CCCc1c(C(=O)O)nnn1-c1ccc(Cl)cc1Cl,0.941,300.1,3.22,4,1,68.0,4,2,2,19,0,0,Pass,0
Clc1ccc(NCCN2CCCC2)c2cccnc12,0.927,275.8,3.4,3,1,28.2,4,3,2,19,0,0,Pass,0
CC(O)Cc1ccc2c(c1)CCC(c1ccccc1)=N2,0.902,265.4,3.68,2,1,32.6,3,3,2,20,1,0,Pass,0
CC(=O)Nc1cccnc1C1(c2ccccc2)CCCN1,0.909,281.4,2.67,3,2,54.0,3,3,2,21,1,0,Pass,0
CC(=O)Nc1ccc(N2CCCCC2)cc1OC1CCCC1,0.915,302.4,3.96,3,1,41.6,4,3,1,22,0,0,Pass,0
NC(=O)c1ccc(N2CCN(c3ccccn3)CC2=O)cc1,0.917,296.3,1.03,4,1,79.5,3,3,2,22,0,0,Pass,0
O=C(O)c1ccc(Oc2ccc(F)cc2Br)cc1,0.929,311.1,4.08,2,1,46.5,3,2,2,18,0,0,Pass,0
Cc1ccccc1C(=O)Nc1ccc(F)c(CC(=O)O)c1,0.908,287.3,3.01,2,2,66.4,4,2,2,21,0,0,Pass,0
O=C(Cc1ccccc1F)Nc1c(F)cccc1Cl,0.911,281.7,3.8,1,1,29.1,3,2,2,19,0,0,Pass,0
O=C(O)CCN1C(=O)c2ccccc2CN1C(=O)Oc1ccccc1,0.924,340.3,2.53,4,1,87.2,4,3,2,25,0,0,Pass,0
O=C(O)CN1CCCC(Cc2ccc(-c3ccccc3)cc2)C1,0.915,309.4,3.69,2,1,40.5,5,3,2,23,1,0,Pass,0
COc1ccccc1-c1cccc(C[C@H]2CCNC2)c1,0.915,267.4,3.51,2,1,21.3,4,3,2,20,1,0,Pass,0
CC(CC1CCNC1C(=O)N1CCc2ccccc21)C1CCCC1,0.913,326.5,3.77,2,1,32.3,4,4,1,24,3,0,Pass,0
CCCC(=O)Nc1nc(N2CCOCC2)c2nccnc2n1,0.9,302.3,0.99,7,1,93.1,4,3,2,22,0,0,Pass,0
C/C(=C/Cn1oc(=O)[nH]c1=O)c1ccc(Cl)c(Cl)c1,0.947,301.1,2.54,4,1,68.0,3,2,2,19,0,0,Pass,0
CCC(C(=O)N1CCC[C@H]1C(=O)O)c1ccc(Br)cc1,0.917,340.2,3.02,2,1,57.6,4,2,1,20,2,0,Pass,0
COC(=O)Nc1ccc2c(c1)CCN1CCN(Cc3ccccn3)CC21,0.92,352.4,2.67,5,1,57.7,3,4,2,26,1,0,Pass,0
COc1ccccc1-c1nc(C(F)(F)F)cc2c1CNCC2,0.923,308.3,3.42,3,1,34.1,2,3,2,22,0,0,Pass,0
Nc1nc(NC(=O)OCc2ccncc2)c(Cl)nc1Cl,0.902,314.1,2.51,6,2,103.0,3,2,2,20,0,0,Pass,0
NC(=O)N1CCN(c2ncccc2Nc2ccccc2)CC1,0.909,297.4,2.03,4,2,74.5,3,3,2,22,0,0,Pass,0

SMILES-only — click to view

Nc1ccnc(N2CCN(CC3CCCc4ccccc43)CC2)n1
CC(=O)Nc1nc2c(s1)CCN(CCc1ccccc1)CC2
Cc1ccc(Cc2cnc(NC3CCCC3)nc2)cc1
Cc1nc(N)ccc1CN1CCN(C(=O)c2ccccc2Cl)CC1
C[C@H](C(=O)NC1CCCC1)n1cnc2cc(Cl)ccc2c1=O
NC1=NC(=O)c2cccc(CN3CCN(Cc4ccccc4)C3)c21
Nc1ncnc2c1ncn2CCN1CC2CCC(C2)C1
O=C(O)CCc1ccccc1C(=O)N1CCN2Cc3ccccc3CC[C@@H]21
COC(=O)Nc1ccccc1C(=O)N1CCN(C2CCCCC2)CC1
Cn1cc(-c2ccc(F)cc2)nc1CCC(=O)O
NC1(CCCN2CCc3ccccc3Cc3ccccc32)CC1
COc1cc(NC(=O)c2ccc(Cl)cc2)cc(F)c1Cl
Cc1ccc(C(O)c2nc(Cl)cnc2N2CCCC2)cc1
O=C(O)c1ccccc1C1CCN(Cc2ccccc2)CC1
CC(C(=O)N1CCN(c2ccccc2Cl)CC1)C1CCCNC1=O
CC1(CCCC(=O)O)Sc2ccc(Br)cc21
Cc1cc(CCc2ccccc2)ccc1C(=O)N1CCC[C@H]1C(=O)O
NS(=O)(=O)c1ccc(CN2CCC(=O)c3ccccc32)cc1
CCNC(=O)[C@]1(Cc2ccccn2)Cc2ccccc2N1
Nc1nc(Cl)c(Oc2ccc(Cl)cc2)nc1Cl
Oc1nc2ccc(Cl)cc2nc1CCCN1CCC(O)CC1
Br.Cc1ccc(CNC(=O)OCc2ccccc2)cc1
CNc1ccnc(N2CCN(Cc3ccc(F)cc3)CC2)n1
c1ccc(CC2CCC(CN3CCc4ccccc4C3)CN2)cc1
NC1CCN(COC(c2ccccc2)c2ccccc2)CC1
CS(=O)(=O)c1ccccc1C(=O)NCc1ccc(F)cc1
C[C@@H]1CC[C@H](O)C[C@@H]1C(Cc1ccccc1)C(=O)N1CCCC1
NCC(=O)N1CCC(c2ccccc2)c2ccccc21
Nc1nc(NC2CCCC2)nc(-c2ccc(Cl)cc2)n1
Cc1ccccc1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1
CCOC(=O)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1
CNc1ccccc1C(=O)N1CCCC(c2ccccc2)C1
NC(=O)c1ccc(CN2CC(=O)Nc3ccc(Cl)cc32)cc1
NC1=Nc2ccc(CN(C(=O)N3CCCC3)c3cccc(Cl)c3)cc21
COC(=O)Nc1ccccc1C1CCN(c2ncccn2)CC1
COc1cccc(C2=CC(c3ccc(Cl)cc3)CCC(=O)N2)c1
COc1ccc2c(c1)CCNC2C(=O)N1CCN(c2ccccc2)CC1
CC(=O)NC1CCN(c2nccc(-c3cccs3)n2)CC1
O=C(O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
Br.CCNC(=O)N1CCN(c2ccccc2)CC1
CC(=O)Nc1ccccc1[C@H]1C[C@@H](Cc2ccccc2)C[C@H]1O
CCCc1ccccc1C(=O)NC1CCN2CCCCC2C1
COc1ccccc1C(=O)NCC1CCN(c2ncccn2)CC1
O=C(O)CN1C[C@@H](c2ccccc2)c2ccccc2C1=O
Cc1cnccc1N1CCN(CCNC(=O)c2ccccc2)CC1
O=S(=O)(Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F
CC(=O)O.CCOc1ccc(OCC(F)(F)F)cc1
Cc1cccc(NCCN2CCN(c3cccc(Cl)c3)CC2)n1
OC1C[C@@H](Oc2ccccc2)CCCN1Cc1ccccc1
COc1ccc(F)cc1-c1cc(CN2CCOCC2)ccc1O
O=C1NC(O[C@@H]2Oc3cc(F)ccc3Cc3ccccc32)O1
CSC1CCc2nc(NCc3ccccc3)nnc21
C[C@@H](NC1CCN(c2ccccc2)CC1)c1ccccc1
CC(C(=O)NN1CCN(Cc2ccccc2)CC1)c1ccccc1
CCCC1=C(c2ccccc2)c2ccccc2OC1C(=O)O
NC(=O)Cc1ccccc1C(=O)N1CCCc2ccccc21
COc1ccc2c(c1O)CC(OCc1ccccc1)CC2
O=C(CN1CCCC(O)c2ccc(Cl)cc21)N1CCCCC1
O=S(=O)(NCc1ccccc1)c1cccc(Br)c1
CC(N)(Cc1ccncc1)C(=O)N1CCN(c2ccccc2)CC1
C[C@H](NC(=O)c1ccccc1)c1ccc2c(c1)C(=O)N1CCCC1CC2
CN1Cc2cc(Cl)ccc2CC1CCN1CCC(C(=O)O)CC1
CNc1cc(Br)ccc1C(=O)Nc1ccccc1F
CCn1cnc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
COc1ccc(C(F)(F)F)cc1[C@@H]1[C@@H]2CCN1C[C@H]2O
Cc1ncccc1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1N1CCCCC1
FC(F)(F)c1ccccc1CNc1ccccn1
CN(CCC(=O)N1Cc2ccccc2C[C@H]1O)c1cccnc1
NC1=NC(c2ccccc2)CCN1c1ccc(Cl)cc1
C[C@@H](NC1=NC(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1
CCC(=O)N1CCc2nc(NC(=O)Cc3ccccc3)sc2C1
CC[C@@H]1C(=O)NCc2ccc(OCc3ccccc3)cc21
Cc1cccc(CCN2CCC(=O)Nc3cc(Cl)ccc32)n1
COc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1
CN(C1CC1)C1CC1c1ccccc1C1=NCCCN1
CNC(=O)c1ccc(N2CCc3ccccc3C2=O)cc1
O=C1NC(Cc2ccccc2)CN1Cc1ccc(Cl)cc1
CCNC1CCCCCN1C(=O)c1ccc(-c2ccccc2)cc1
Clc1ccccc1Oc1ccccc1[C@H]1CCNC1
Nc1ccc(Oc2cc(Br)c(Cl)cn2)cn1
Cc1c(C(=O)N2CCC[C@H]2C(=O)O)ccn1-c1ccccc1
Cc1ccccc1N1CCN(C(=O)CCC2CCCN2)c2ccccc21
NCCC1CCN(c2nccc(Cc3ccccc3)n2)CC1
Cc1cc(Cc2ccccc2)nc(O)c1Br
CN1CCN(c2nccc(Nc3ccccn3)n2)CC1
COc1cccc(NC(=O)N2CCN(CC3CC3)CC2)c1
COc1ccc(NN2CCN(Cc3ccccc3F)CC2)cc1
CCC1(C(=O)Nc2cccc(Cl)c2)CC2CCCN21
O=C(Nc1nccc(-c2ccccc2Br)n1)C(F)(F)F
N#Cc1cccc(NS(=O)(=O)c2ccc(F)cc2F)n1
O=C(NCc1ccccc1)c1ccc(F)c(N2CCNCC2)c1
NC(=O)c1ccccc1CN1CCN(c2ncccc2Cl)CC1
C[C@H](NC(=O)[C@@H]1C[C@@H]1Cc1ccccc1)N1Cc2ccccc2C...
CC(=O)N1CCCN(CCNC(=O)c2ccc(Cl)cc2)CC1
Oc1ccc2c(c1)OCCC21CCCN(CCc2ccccc2)C1
CC[C@@H]1C(=O)N(C(=O)Nc2ccccc2)c2ncc(Cl)cc21
CCN1CCc2ccc(NC(=O)c3ccccc3)cc21
COc1ccc2c(c1)C[C@H](NCCc1ccccc1)CC2
CN1C(=O)[C@H](Nc2nccnc2[C@H]2CN3CCC2C3)c2ccccc21
CC1(CCc2ccccc2)CCN1C(=O)Nc1cccnc1
CC1(N(Cc2ccccc2)C2C(=O)Nc3ccccc32)CCC1
CCC(=O)N(c1ccccc1O)C1CCCc2ccccc21
O=C(O)Cc1ccccc1CSC(=O)N1CCc2ccccc2C1
O=C(NCCN1CCC2CCCCC2O1)c1ccccc1
CCN1CCCCC(CNC(=O)c2ccc(Cl)cc2)C1
CC(C(=O)O)c1ccccc1Cc1cc(F)ccc1F
COc1cccc([C@H]2C[C@H](Cc3cc(F)ccc3F)NC2=O)c1
C[C@H]1CCN(Cc2ccccc2)C(=O)NC1c1ccccc1
COc1ccc2c(c1)CCCN(Cc1cnc[nH]1)C2
NS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1
C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2OC(F)(F)F)C1
CC(=O)Nc1ccccc1N1CCN(C(=O)c2ccncc2)CC1
CN(Cc1ccccc1)C(=O)S(=O)(=O)N1C[C@H](F)C[C@@H]1O
CNCC1CCCCN1c1cccc(Cl)c1Cl
Cc1cc(Cl)cc(Cl)c1C(=O)NCCN1CC2CCCN2C1=O
O=C(NC(=O)c1ccc2c(c1)CO2)OCc1ccc(F)cc1
CCN1c2ncccc2CC1C(=O)Nc1ccc(C(F)(F)F)cc1
NC(=O)c1cccc(CN2CCc3ccccc3C2=O)n1
O=C(Nc1ccc(F)cc1F)N1CCN(CCc2ccccc2)CC1
CCCC1CNC(=O)CC1(c1ccccc1)c1ccccc1
Cc1cccc(C2=NOC(c3ccccc3)C(=O)N2)c1
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCCC1
COc1cc(C(=O)O)cn1-c1cccc(C(F)(F)F)c1
CC(OC(=O)n1ccc(-c2ccccc2)c1)C(=O)O
CC[C@H]1CNC(=O)C(c2ccccc2)(c2ccccc2)C1
O=C(NC1CCN(Cc2ccccc2)C1)c1ccc2c(c1)CCN2
CCCNC(=O)C1(CC(F)(F)F)CCCN1c1ccccc1
Fc1ccc(CN2NCCC2=NN2CCCCC2)cc1
CCC(CC(=O)O)N1CCC(N2CCc3ccccc3C2)CC1
Cc1ccc(F)cc1C(=O)NC(=O)N1CCN(Cc2ccccc2)CC1
CC(C(=O)Nc1ccccc1)C1CC(=O)N2Cc3ccccc3C[C@H]12
CC(NC(=O)c1cccc(Cl)c1)N1CCN(C2CCCCC2)CC1
CN(CC1CCCNC1=O)c1cc2ccccc2s1
CCCc1nc2c(c(F)c1CO)C(=O)N[C@H]2c1ccc(F)cc1
CC1CC(CCN2C(=O)CCNC2=O)c2ccccc21
Cc1ccc(O)nc1C(=O)N[C@@H]1CCN(c2ccccc2)C1
Cc1cc(C#N)ccc1C(=O)NC1CCN(Cc2ccccc2)CC1
CN1CCC2(c3ccccc3)C=CC(Oc3cccc(O)c3)=C12
CCCC(=O)N[C@H]1Cc2ccccc2C[C@H]1c1ccccn1
O=C(O)c1cccc2c1OCC(Cc1ccccc1)C2
CN(Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C#N
CCN(C(=O)O)C(=O)OC(c1ccccc1)c1ccccc1
CCOC(=O)N1CCC(Nc2cccc3ccccc23)CC1
CCCCC(=O)NC(=O)N1CCC(c2ccccc2)CC1
Cc1cc2c(cc1Cl)N(CC(=O)Nc1ccccn1)CC2
O=C(Cc1ccccc1Cl)Nc1nccs1
Cc1ccc(-c2ccc(O)c(CN3CCCCC3)c2)cc1
CCN1Cc2cc(C(=O)Nc3ccccc3)ccc21
COc1cccc([C@@H]2CCC(c3ccccc3)CNC2)c1
N[C@@H](CC1CCCC1)C(=O)N1CCN(c2ccccc2)CC1
CC1(C(=O)NN2CCC(c3ccccc3)C2)CCc2ccccc21
CC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCCC1
Br.O=C1C(/C=C/c2cccc(O)c2)=Nc2ccccc21
COc1cccc(OCc2cnc(O)c(Cl)n2)c1
CNC(=O)N1CC(Cc2ccccc2)Cc2ccccc21
CN1CCN(c2nc3ccccc3cc2C2CCNCC2)C1
C[C@H](Nc1ccccc1)C(=O)N1CCC(=O)N2CCCC[C@H]21
Cn1cc(NC(=O)c2ccc(N3CCNCC3)cc2)nc1C1CC1
O=C(Nc1cccc(Cl)c1)NC1CCN(c2ncccn2)CC1
CN(Cc1ccc(F)cc1)C(=O)Nc1cccnc1
Cc1ncc(Nc2ccccc2)nc1Br
O=C1Nc2ccc(Cl)cc2CN1Cc1ccccn1
CC(=O)NS(=O)(=O)c1ccc(CCc2ccccc2)cc1
CCS(=O)(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1
Cn1c(CNC(=O)c2ccc(Cl)cc2)cnc1C1CCCC1
Oc1ccc(CCN2N=C3CN(c4cccc(F)c4)CCC32)cc1
CCCS(=O)(=O)N1CCCC2CNC(=O)c3ccccc3C21
C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)O
O=C(Nc1cccnc1)N1CCN(C2CCCCC2)OC1=O
CC(C#N)NS(=O)(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
COc1ccc(C(=O)O)c2c1CCC2c1ccccn1
O=C1N[C@@H]2CSCN2[C@H](Cc2ccccc2)CN1Cc1ccccc1
CC(N)C(=O)N(C(=O)c1ccc(Cl)cc1)c1ccccc1
COc1ccc([C@@H]2CNC[C@H]2c2ccccc2)cc1
O=C1NC(c2ccccc2)CCCN1Cc1ccncc1
COc1ccc(C(=O)Nc2cnc(Cl)c(Cl)n2)cc1
O=C(Nc1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1
CC(Nc1ccc2c(c1)CCCc1ccccc1-2)C(=O)O
NCCN1CCC[C@H](OC2=NCCc3ccccc32)C1
Cc1cc(NC(=O)c2ccccc2)ccc1CC1=NCCN1
COc1ccccc1COC1c2ccccc2OCC1C(=O)O
CC(O)(C(=O)Nc1ccccc1Cl)C1CCc2ccccc21
NCCCN1CCC2=C(c3ccccc3)c3ccccc3C21
N[C@@H]1CN(c2ccccc2)CCN1C(=O)OCc1ccccc1
O=C(NN1CCN(c2ccccc2C(F)(F)F)CC1)n1ccnc1
O=C(O)c1ccc(N2CCc3ccccc3C2=O)cc1
CCC1C(=O)N(c2ccccc2)c2ncc(C(=O)O)c(=O)n21
O=C(O)c1cccc(NC(=O)N2CCC(c3ccccc3)CC2)c1
O=C(NCc1ccccc1)Oc1ccccc1Br
CC1CC(CC(=O)O)CN1C(=O)c1ccc(F)cc1
CCC1(C(=O)O)OC(c2ccccc2)c2ccc(Cl)cc21
CCOC(=O)N1CCCC(Nc2ccc(Cl)cc2)CC1
NC(=O)c1cccc(N2CCC(c3ccc(F)cc3F)CC2)c1
CC(=O)N[C@@H]1CCN(c2ccccc2)[C@H]1c1ccc(Cl)cc1
Nc1nc2c(s1)CCC(C(=O)NCc1ccccc1)C2
O=C(O)[C@@H]1Cc2c(OCc3ccccc3)cccc2O1
COc1ccc2c(c1)CCN(c1ccccc1)C2C(=O)O
CC(=O)Nc1ccc2c(c1)CCCC2Nc1cccnc1
O=C(O)CN1CCC2(CCCC2)C(=O)N1CCc1ccccc1
COc1cccc(/C=C2\CNC(=O)N2Cc2ccccc2)c1
c1ccc([C@H]2CCCN2CCNc2cccnc2)cc1
NC(=O)Oc1cccc(-c2ccccc2Br)c1
NC(=O)CN1CCc2ccccc2C(c2ccccc2)C1
CC(COc1ccccc1)NC(=O)c1ccccc1Cl
O=C(O)C1c2ccccc2C(=O)N1Cc1c(F)cccc1F
Cc1ncccc1C(=O)Nc1ccc([C@@H]2CCNC2)cc1
CC(O)c1ccccc1CN1CCC(c2ccccc2)CC1
C[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)N1C[C@@H]1O[C@H]2...
CC(=O)Nc1ccccc1N1CCN(c2ccccc2Cl)CC1
O=C1CCC(NC(c2ccccc2)c2ccccc2)C1
NC(=O)c1ccc(Cl)cc1N1CCN(Cc2ccccc2)CC1
COc1ccc(-c2cccc(N3CCCC3)c2)cc1O
CC1(C(=O)Nc2ccc(F)cc2)CC(c2ccccc2F)=N1
CCCCC(O)c1cc(Br)c2ccccc2n1
CCc1nc(N)n(C)c1-c1ccc(Cl)cc1Cl
CC(=O)N1CCC(CNC(=O)C2CCCN(c3ccccc3)CC2)C1
COc1ccc2c(c1)CCCNC2CCN1CCCCCC1
O=C1CCN(CCc2ccccc2N2CCNc3ccccc32)C1
CCCc1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@@H]2O
CSCCN1CC[C@@H]([C@@H]2CCCN2)c2ccccc21
CC(C(=O)O)c1cccc(C2CCN(Cc3ccccc3)CC2=O)c1
NCC[C@H]1CCC(c2cccc(F)c2F)c2ncccc21
COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cn1
CCN1c2ncccc2CC1C(=O)Nc1ccc(Cl)cc1
Clc1ccc(N[C@H]2CCC[C@@H](N3CCCCC3)O2)cc1
O=C(COc1ccc(Cl)cc1)NCc1ccccc1
CC1(C(=O)Nc2ccc(Cl)cc2)CCC[C@H]1N1CCCC1
COc1ccc(O)nc1N1CCN(C2CCCCC2)CC1
Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)nc1
CCC(=C1NS(=O)(=O)c2ccccc21)c1ccccc1
NCc1ccccc1CN1CCN(C(=O)c2ccccc2)CC1
COc1ccc(O)cc1CN1CCC(c2ccccc2)CC1
CC(=O)Nc1cccc(Cl)c1S(=O)(=O)c1ccc(Cl)cc1
CN(Cc1ccccc1)C1(C(=O)O)Cc2cc(C(F)(F)F)ccc21
Cc1ccc(O)c(=O)n1CCc1ccc(F)c(F)c1
O=C(Nc1ccncn1)N1CCN(Cc2ccccc2)CC1
COc1ccccc1-c1ccc(C(=O)N2CCC[C@H]2C(=O)O)cc1
O=C1CN(c2ccccc2)CCN1CCc1ccc(O)cc1
CCC(O)c1cccc2c1CCc1ccccc1C2=O
COc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNCC2
COc1ccc2c(c1)Cc1c(Cl)cc(Cl)cc1C2CO
C[C@H](NC(=O)c1ccc(Br)cc1)N1CCCC1
CC(Cc1c[nH]cn1)c1cc(Br)c(Br)cn1
O=C(O)C1CN=C(Sc2ccc(Cl)cc2Cl)C1
CN(Cc1ccccc1)C(=O)NC1CCN(c2ccccc2Cl)C1
O=C(Nc1cncc(Oc2ccccc2)n1)C1CCCNC1
O[C@H]1c2ccccc2C[C@H]1N1CCN(C2CCCC2)CC1
Cc1cc(NS(=O)(=O)c2ccccc2)cnc1COC(F)(F)F
CC(=O)N[C@H]1c2ccccc2C[C@H]1Oc1ccccn1
O=C(O)CCN1CCC(n2nccc2-c2cccnc2)CC1
CC(=O)NC[C@H]1CN(c2ccc(C(F)(F)F)cc2Cl)C(=O)O1
CN(C(=O)CN1CCc2ccccc2C1)C(=O)NCc1ccccc1
O=C(Nc1ncccc1Cl)c1ccc(Cl)cn1
Cc1cccc(S(=O)(=O)Nc2ccccc2Br)n1
CCC(=O)N[C@H]1CN(c2ccccc2)CO[C@@H]1c1ccc(F)cc1
CC(=O)N1CCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1
Cc1ccc2c(c1)CCC(=O)C2NC1CCN(Cc2ccccc2)CC1
CCc1ccc2c(c1)CCN2C(=O)NCc1ccccc1
CCn1cc(-c2cccc(Cl)c2)nc1CN1CCN(O)CC1
COc1ccc2c(c1)[C@H]1CC[C@H]1C[C@@H]2NS(=O)(=O)c1ccc...
O=C(O)CCN1CCC2(CCCC2)C(=O)c2ccccc21
Cc1ncccc1C(=O)NC1CCc2ccccc2C1
Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1
CC1CCC(CCNc2nnc3ccccc3n2)C1
COc1cc(NC(=O)c2ccc(F)cc2)ccc1CO
CC(Cc1ccc(F)cn1)C(=O)Nc1ccccc1
C[C@@H]1CC[C@H]2C(=O)N3CCN(CCc4ccccc4)CCC[C@]3(CO)...
NC(C(=O)N1CCC2(CCc3ccccc32)CC1)c1ccccc1
Cc1cc(C(=O)Nc2ccc(F)cc2)nc(N2CCOCC2)n1
CCN(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O
C[C@@H](Nc1cccc(Cl)c1)C(=O)N1CCC(N2CCCCC2)CC1
COc1ccc2c(c1)C1(CCN1Cc1ccccc1)NC(=O)CC2
CNC(=O)c1ccc2c(c1)CN(Cc1ccc(Cl)cc1)CC2
CN1C(=O)[C@H](Cc2ccccc2Cl)N[C@@H]1c1ccccc1
CN1CCN(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)CC1
COc1cc(Cl)ccc1C(=O)Nc1cccc2c1OCCO2
Cn1cc(CC(=O)O)cc1CN1CCN(c2ccccc2)CC1
O=C(O)C1=CC(=O)C(c2ccccc2)=C(Cc2ccccc2)C1
Cc1cc(CNC2=NCCN2)ccc1-c1ccc(Cl)cc1
c1ccc(CCNC2CCCN3CCc4ccccc4C3C2)cc1
CCCc1c(C(=O)O)nnn1-c1ccc(Cl)cc1Cl
Clc1ccc(NCCN2CCCC2)c2cccnc12
CC(O)Cc1ccc2c(c1)CCC(c1ccccc1)=N2
CC(=O)Nc1cccnc1C1(c2ccccc2)CCCN1
CC(=O)Nc1ccc(N2CCCCC2)cc1OC1CCCC1
NC(=O)c1ccc(N2CCN(c3ccccn3)CC2=O)cc1
O=C(O)c1ccc(Oc2ccc(F)cc2Br)cc1
Cc1ccccc1C(=O)Nc1ccc(F)c(CC(=O)O)c1
O=C(Cc1ccccc1F)Nc1c(F)cccc1Cl
O=C(O)CCN1C(=O)c2ccccc2CN1C(=O)Oc1ccccc1
O=C(O)CN1CCCC(Cc2ccc(-c3ccccc3)cc2)C1
COc1ccccc1-c1cccc(C[C@H]2CCNC2)c1
CC(CC1CCNC1C(=O)N1CCc2ccccc21)C1CCCC1
CCCC(=O)Nc1nc(N2CCOCC2)c2nccnc2n1
C/C(=C/Cn1oc(=O)[nH]c1=O)c1ccc(Cl)c(Cl)c1
CCC(C(=O)N1CCC[C@H]1C(=O)O)c1ccc(Br)cc1
COC(=O)Nc1ccc2c(c1)CCN1CCN(Cc3ccccn3)CC21
COc1ccccc1-c1nc(C(F)(F)F)cc2c1CNCC2
Nc1nc(NC(=O)OCc2ccncc2)c(Cl)nc1Cl
NC(=O)N1CCN(c2ncccc2Nc2ccccc2)CC1

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