Compound Name

SMILES String

Cc1nc2c3ccccc3nc(O)n2n1

CC(C)c1nc2c3ccccc3[nH]c(=O)n2n1

Oc1nc2ccccc2c2nc(nn12)-c1ccccc1

COc1ccc2[nH]c(=O)n3nc(nc3c2c1)C(C)C

Cc1nc2c3cc(Br)ccc3[nH]c(=O)n2n1

Cc1nc2c3cc(ccc3[nH]c(=O)n2n1)-c1ccnn1C

Cc1nc2c3cc(ccc3[nH]c(=O)n2n1)-c1ccncc1C

Cc1nc2c3ccc(Cl)cc3[nH]c(=O)n2n1

CC(C)c1nc2c3ccc(Cl)cc3[nH]c(=O)n2n1

CC(C)c1nc2c3cc(Cl)c(Cl)cc3[nH]c(=O)n2n1

CC(C)c1nc2c3cc(Br)c(Cl)cc3[nH]c(=O)n2n1

Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccncc1C

Nc1c(cnc2c(Cl)cccc12)C(O)=O

Cc1nc2CCCc2c(=S)[nH]1

Cc1cc(ccc1N)-c1nc2ncccc2o1

CN(C)CCn1c(=S)[nH]c2ccccc2c1=O

Nc1ccc(cc1)-c1nn2cnnc2s1

Sc1nc2cc(Cl)ccc2[nH]1

Cc1cc(C)c(C#N)c(=S)[nH]1

Cc1cccc(Nc2cc(=O)n(C)c(=O)n2C)c1

Cc1ccc(Nc2ncnc3n(C)ncc23)cc1

O=C1CC(c2ccccc2)c2cc3OCOc3cc2N1

Cc1cnccc1-c1cc2c3nc(CNC(=O)c4ccc(c(c4)C(O)=O)-c4c5ccc(O)cc5oc5cc(=O)ccc45)nn3c(=O)[nH]c2cc1Cl |(25.53,-48.68,;24.2,-49.46,;22.87,-48.69,;21.53,-49.46,;21.54,-51,;22.87,-51.77,;24.2,-51,;25.53,-51.77,;26.86,-51,;28.19,-51.76,;29.53,-50.98,;29.75,-49.49,;31.23,-49.24,;31.92,-47.86,;31.07,-46.58,;31.75,-45.19,;33.29,-45.1,;30.9,-43.91,;29.37,-44.01,;28.52,-42.73,;29.2,-41.34,;30.74,-41.25,;31.59,-42.53,;31.43,-39.87,;32.93,-40.21,;31.42,-38.33,;28.35,-40.07,;26.81,-40.17,;26.13,-41.54,;24.6,-41.64,;23.74,-40.35,;22.2,-40.45,;24.43,-38.98,;25.97,-38.89,;26.65,-37.5,;28.19,-37.41,;28.87,-36.04,;30.4,-35.96,;31.09,-34.58,;31.24,-37.23,;30.55,-38.6,;29.03,-38.69,;31.93,-50.57,;30.88,-51.65,;30.88,-53.32,;32.22,-54.1,;29.53,-54.09,;28.19,-53.32,;26.86,-54.09,;25.52,-53.31,;24.19,-54.08,)|

CS(=O)(=O)Nc1ccc(c(Cl)c1)-c1cc2c3nc(CNC(=S)Nc4ccc(c(c4)C(O)=O)-c4c5ccc(O)cc5oc5cc(=O)ccc45)nn3c(=O)[nH]c2cc1Cl |(66.38,-53.97,;67.71,-54.74,;68.11,-53.24,;69.21,-54.33,;67.72,-56.28,;69.05,-57.05,;69.05,-58.6,;70.39,-59.36,;71.71,-58.59,;71.72,-57.05,;73.05,-56.28,;70.39,-56.28,;73.04,-59.36,;74.37,-58.59,;75.71,-59.36,;77.05,-58.58,;77.27,-57.09,;78.75,-56.84,;79.44,-55.46,;78.58,-54.17,;79.27,-52.79,;80.81,-52.69,;78.42,-51.51,;79.1,-50.13,;78.46,-48.74,;79.35,-47.48,;80.89,-47.62,;81.53,-49.03,;80.64,-50.28,;83.07,-49.18,;83.28,-50.7,;84.5,-48.61,;81.78,-46.37,;81.13,-44.97,;79.61,-44.83,;78.97,-43.43,;79.86,-42.17,;79.22,-40.77,;81.4,-42.32,;82.03,-43.72,;83.57,-43.87,;84.2,-45.27,;85.72,-45.42,;86.35,-46.81,;87.89,-46.97,;85.46,-48.06,;83.94,-47.9,;83.31,-46.51,;79.45,-58.17,;78.39,-59.24,;78.4,-60.92,;79.73,-61.69,;77.05,-61.69,;75.71,-60.91,;74.38,-61.68,;73.04,-60.91,;71.71,-61.68,)|

Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccccc1C

Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccncc1

COc1cnccc1-c1cc2c3nc(C)nn3c(=O)[nH]c2cc1Cl

Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1cccc2[nH]ccc12

Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccnc2[nH]ccc12

Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1c(C)ccc2[nH]ncc12 |(14.09,-43.85,;13.41,-45.23,;11.92,-45.48,;11.7,-46.97,;10.37,-47.75,;9.03,-46.99,;7.7,-47.76,;7.7,-49.3,;6.36,-50.07,;9.03,-50.08,;10.36,-49.31,;11.7,-50.08,;13.05,-49.31,;14.39,-50.09,;13.05,-47.64,;14.1,-46.56,;6.37,-46.99,;6.37,-45.45,;7.71,-44.68,;5.04,-44.68,;3.71,-45.45,;3.71,-47,;2.58,-48.03,;3.21,-49.42,;4.73,-49.25,;5.04,-47.75,)|

Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(N)cc1

Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(N)cc1C

Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1

COc1cc(ccc1NS(C)(=O)=O)-c1cc2c3nc(C)nn3c(=O)[nH]c2cc1Cl

Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1Cl

Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1C

Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1F

CNS(=O)(=O)Nc1ccc(c(C)c1)-c1cc2c3nc(C)nn3c(=O)[nH]c2cc1Cl

Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(=O)(=O)c2ncc[nH]2)cc1C

COc1ccc(c(OC)c1)S(=O)(=O)Nc1ccc(c(C)c1)-c1cc2c3nc(C)nn3c(=O)[nH]c2cc1Cl

Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NCc2ncc[nH]2)cc1C

COc1ccc(cc1)-c1noc(n1)-c1cccc(NC(=O)COc2ccc(C)cc2)c1

Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)c4ccc5OCOc5c4)cc3)n2)cc1

COc1cc(ccc1OC(=O)c1ccc(C)cc1)-c1cc(OC)c2c(C)oc(C)c2c(=O)c1

COc1ccc(cc1)-c1noc(n1)-c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1

Cc1ccc(OCC(=O)Nc2cccc(c2)-c2nc(no2)-c2ccccc2)cc1

Cc1cccc(c1)-c1noc(n1)-c1cccc(NC(=O)COc2ccccc2)c1

Cc1ccc(cc1)-c1noc(n1)-c1cccc(NC(=O)COc2ccccc2)c1

O=C(COc1ccccc1)Nc1cccc(c1)-c1nc(no1)-c1ccccc1

COc1ccc(cc1)-c1noc(n1)-c1cccc(NC(=O)COc2ccccc2)c1

COc1ccc(cc1)-c1noc(n1)-c1cccc(NC(=O)COc2ccccc2C)c1

COc1ccc(cc1)-c1noc(n1)-c1cccc(NC(=O)COc2cccc(C)c2)c1

COc1ccc(cc1)-c1noc(n1)-c1cccc(OCC(=O)Nc2cccc(C)c2)c1

COc1ccc(cc1)-c1noc(n1)-c1cccc(OCC(=O)Nc2ccc(F)cc2)c1

COc1ccc(cc1)-c1noc(n1)-c1cccc(OCC(=O)Nc2ccccc2F)c1

COc1ccc(cc1)-c1noc(n1)-c1cccc(OCC(=O)Nc2ccncc2)c1

COc1ccc(cc1)-c1noc(n1)-c1cccc(OCC(=O)Nc2ccc(C)nc2)c1

COc1ccc(cc1)-c1noc(n1)-c1cccc(OCC(=O)NCc2ccco2)c1

CCOc1ccc(NC(=O)COc2cccc(c2)-c2nc(no2)-c2ccc(OC)cc2)cc1

COc1ccc(cc1)-c1noc(n1)-c1cccc(OCC(=O)Nc2cccc(OC)c2)c1

CCOc1ccc(NC(=O)COc2cccc(c2)-c2noc(n2)-c2ccc(OC)cc2)cc1

COc1ccc(cc1)-c1noc(n1)-c1cccc(OCC(=O)Nc2cc(OC)ccc2OC)c1

COc1ccc(cc1)-c1noc(n1)-c1cccc(OCC(=O)Nc2ccc(OC)cc2OC)c1

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC1=O

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC1=O

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O

CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC1=O

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC1=O

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NC1=O

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC1=O