Compound Name

SMILES String

CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1O |c:4|

CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccccc1O |c:4|

CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O |c:4|

CC(=O)N1N=C(CC1c1ccccc1C)c1ccccc1O |c:4|

CC(C)(C)NC(=O)c1ccc(OC\C(CN)=C/F)cc1

CC(C)(C)NC(=O)c1ccc(OC\C(CN)=C\F)cc1

CC(C)(C)Sc1cncc(SC(C)(C)C)c1CN

CC(C)NS(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1

CC(C)NS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1

CC(C)Nc1cncc(N(C)C(C)C)c1CN

CC(C)Nc1cnccc1CN

CC(C)Oc1cccc(OC(C)C)c1CN

CCCCN=C(N)NN=Cc1cccc(c1)C(N)=N |w:9.9,4.3|

CCCCN=C(N)c1cccc(C=NNC(N)=N)c1 |w:12.11,4.3|

CCCCOc1cccc(OCCCC)c1CN

CCCCc1cccc(CCCC)c1CN

CCCNc1cncc(N(C)CCC)c1CN

CCCOc1cccc(OCCC)c1CN

CCCc1cccc(CCC)c1CN

CCN(CC)C(=O)c1ccc(OC\C(CN)=C\F)cc1

CCNS(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1

CCNS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1

CCNc1ccccc1CN

CCNc1cncc(N(C)CC)c1CN

CCNc1cnccc1CN

CCOCc1cccc(COCC)c1CN

CCOc1cccc(OCC)c1CN

CCOc1ccccc1CN

CCOc1cncc(OCC)c1CN

CCOc1cncc(OCc2ccccc2)c1CN

CCSc1cncc(SCC)c1CN

CCc1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1ccc[n+]([O-])c1

CCc1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1ccccc1

CCc1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1cnn(C)c1

CCc1cccc(CC)c1CN

CN(C)C(=O)c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1ccccc1

CN(C)C(=O)c1ccc(OC\C(CN)=C/F)c(Br)c1

CN(C)C(=O)c1ccc(OC\C(CN)=C/F)c(Cl)c1

CN(C)C(=O)c1ccc(OC\C(CN)=C/F)c(F)c1

CN(C)C(=O)c1ccc(OC\C(CN)=C/F)cc1

CN(C)C(=O)c1ccc(OC\C(CN)=C/F)cc1C

CN(C)C(=O)c1ccc(OC\C(CN)=C\F)cc1

CN(C)S(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1

CN(C)S(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1

CNC(=O)c1ccc(OC\C(CN)=C\F)cc1

CNS(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1

CNS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1

CNc1ccccc1CN

CNc1cncc(N(C)C)c1CN

CNc1cncc(NC)c1CN

CNc1cnccc1CN

COCc1cccc(COC)c1CN

COc1cc(ccc1OCC(CN)=CF)C(=O)N(C)C |w:13.14|

COc1cccc(OC)c1CN

CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1ccccc1

Cc1ccc(cc1)-c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O

Cc1ccc(cc1)-c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)S(C)(=O)=O

Cc1ccc(cc1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1

Cn1cc(cn1)-c1cc(F)cc(c1)S(=O)(=O)c1cnc(CN)s1

Cn1cc(cn1)-c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)C(O)=O

Cn1cc(cn1)-c1cccc(c1)S(=O)(=O)c1cnc(CN)s1

NC(=N)NN=Cc1cccc(c1)C(N)=N |w:5.5|

NC(=N)NN=Cc1cccc(c1)C(N)=O |w:5.5|

NC(=N)NN=Cc1cccc(n1)C(=N)NO |w:4.3|

NC(=N)NN=Cc1cccc(n1)C(N)=N |w:4.3|

NC(=N)NN=Cc1ccnc(c1)C(N)=N |w:5.5|

NC(=N)NN=Cc1ccnc(n1)C(N)=N |w:4.3|

NC(=N)NN=Cc1nccc(n1)C(N)=N |w:4.3|

NC(=N)c1cc(ccn1)-c1ccnc(c1)C(N)=N

NC(=N)c1ccc(N\N=N\c2ccc(cc2)C(N)=N)cc1

NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1

NC(=N)c1cccc(C=NNC(=N)NN=Cc2cccc(n2)C(N)=N)n1 |w:15.15,8.7|

NC(=N)c1cccc(CNN=C(N)N=N)c1 |w:10.9|

NC(=N)c1cccc(CNN=C(N)N=N)n1 |w:10.9|

NC(=N)c1cccc(c1)-c1ccnc(n1)C(N)=N

NC(=N)c1cccc(n1)-c1cccc(n1)C(N)=N

NC(NN=Cc1cccc(c1)C(N)=N)=NN=Cc1cccc(c1)C(N)=N |w:14.15,4.4,16.17|

NC(NO)=NN=Cc1cccc(c1)C(N)=N |w:4.4,6.6|

NC(NO)=NN=Cc1cccc(n1)C(N)=N |w:4.4,6.6|

NCC#Cc1cnc[nH]1

NCC(=C)c1cnc[nH]1

NCC=Cc1cnc[nH]1 |w:2.1|

NC\C(CCc1ccc(F)cc1)=C\F

NC\C(COc1ccc(cc1)C(N)=O)=C/F

NC\C(COc1ccc(cc1)C(N)=O)=C\F

NC\C(COc1ccc(cc1)S(N)(=O)=O)=C/F

NC\C(COc1ccc(cc1)S(N)(=O)=O)=C\F

NCc1c(O)cccc1O

NCc1c(OCCCCO)cccc1OCCCCO

NCc1c(OCCCCO)cncc1OCCCCO

NCc1c(OCCCO)cccc1OCCCO

NCc1c(OCCO)cccc1OCCO

NCc1c(OCCO)cncc1OCCO

NCc1ccccc1CO

NCc1ccccc1O

NCc1ccncc1N

NCc1ccncc1N(C1CCCC1)C1CCCC1

NCc1ccncc1NC1CC1

NCc1ccncc1NC1CCCC1

NCc1ccncc1NC1CCCCC1

NCc1ccncc1NC1CCCCCC1

NCc1ccncc1NCC1CCCCC1

NCc1ncc(s1)S(=O)(=O)c1cc(cc(c1)-c1ccccc1)C(O)=O

NN=C(N)c1cccc(C=NNC(N)=N)n1 |w:10.10,1.0|

NNC(N)=N

[#6]-[#6](-[#6]=[#7]-[#7]-[#6](-[#7])=[#7])=[#7]\[#7]=[#6](\[#7])-[#7] |w:3.3,8.8|

[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cccc(c1)-[#6](-[#7])=[#7] |w:2.2|

[#6]-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cccc(c1)-[#6](-[#7])=[#7] |w:3.3|

[NH3+]CC(F)(F)CC([NH3+])C#C