594 SMILES Strings for Potassium-transporting ATPase alpha chain 1/subunit beta

Compound Name
SMILES String
COc1cccc2c3N(CCc3c(NCCO)nc12)c1ccccc1C
Cc1ccccc1-n1ccc2c(NCCO)nc3c(C)cccc3c12
Cc1ccccc1-n1ccc2c(NCCCO)nc3c(C)cccc3c12
COc1ccccc1N1CCc2cnc3c(OC)cccc3c12
CCOC(=O)c1cc(Nc2ccccc2C)c2cccc(OC)c2n1
Cc1ccccc1N1CCc2c1c1ccccc1nc2CO
COc1cccc2c3n(ccc3c(C)nc12)-c1ccccc1C
CNc1nc2c(C)cccc2c2N(CCc12)c1ccccc1C
Cc1ccccc1N1CCc2c1c1cccc(C)c1nc2N
COc1ccccc1N1CCc2c1c1cccc(OC)c1nc2Cl
CNC(=O)Nc1nc2c(C)cccc2c2N(CCc12)c1ccccc1C
Cc1ccccc1-n1ccc2c(NCCCCO)nc3c(C)cccc3c12
Cc1ccccc1N1CCc2c1c1cccc(C)c1nc2NC(N)=O
COc1ccccc1N1CCc2c1c1cccc(OC)c1nc2N
CN(C)c1nc2c(C)cccc2c2N(CCc12)c1ccccc1C
CNc1nc2c(C)cccc2c2N(CCc12)c1ccc(OC)cc1C
CNc1nc2c(C)cccc2c2n(ccc12)-c1ccccc1C
COc1ccccc1N1CCc2c1c1cccc(OC)c1[nH]c2=O
CNc1nc2c(OC)cccc2c2N(CCc12)c1ccccc1C
Cc1ccccc1N1CCc2cnc3c(C)cccc3c12
Cc1ccccc1N1CCc2c1nc1c(C)cccc1c2Nc1ccccc1
CCOCCn1c(nc2ccccc12)S(=O)Cc1nccc(SCC)c1C
CCSc1ccnc(CS(=O)c2nc3ccccc3n2CCN2CCCCC2)c1C
CCSc1ccnc(CS(=O)c2nc3ccccc3n2C(=O)OCc2ccccc2)c1C
COc1c(C)cnc(CS(=O)c2nc3ccccc3n2COC(C)=O)c1C
CCSc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C
CCSc1ccnc(CS(=O)c2nc3ccccc3n2C(=O)OCCCl)c1C
COc1c(C)cnc(CS(=O)c2nc3ccccc3[nH]2)c1C
CC(OC(=O)c1ccccc1)n1c(nc2ccccc12)S(=O)Cc1ccccn1
CC(=O)OCn1c(nc2ccccc12)S(=O)Cc1ccccn1
COc1c(C)cnc(CS(=O)c2nc3ccccc3n2C(C)OC(C)=O)c1C
CC(OC(C)=O)n1c(nc2ccccc12)S(=O)Cc1ccccn1
CCOC(C)n1c(nc2ccccc12)S(=O)Cc1ccccn1
CCOC(=O)n1c(nc2ccccc12)S(=O)Cc1nccc(SCC)c1C
CCOC(C)n1c(nc2ccccc12)S(=O)Cc1nccc(SCC)c1C
CCSc1ccnc(CS(=O)c2nc3ccccc3n2C(=O)OCC(C)C)c1C
CCSc1ccnc(CS(=O)c2nc3ccccc3n2C(=O)Oc2ccccc2)c1C
CCSc1ccnc(CS(=O)c2nc3ccccc3n2C(=O)OC(C)(C)C(Cl)(Cl)Cl)c1C
CCSc1ccnc(CS(=O)c2nc3ccccc3n2C(=O)OCc2ccc(cc2)[N+]([O-])=O)c1C
COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C
COc1c(C)cnc(CS(=O)c2nc3ccccc3n2CCN2CCOCC2)c1C
CCSc1ccnc(CS(=O)c2nc3ccccc3n2C(=O)OC=C)c1C
CCOC(C)n1c(nc2ccccc12)S(=O)Cc1ncc(C)c(OC)c1C
CCSc1ccnc(CS(=O)c2nc3ccccc3n2COC(C)=O)c1C
CCSc1ccnc(CS(=O)c2nc3ccccc3n2CSc2ccccc2)c1C
Nc1ccc(F)cc1CS(=O)c1nc2ccccc2[nH]1
Cc1ccc2nc([nH]c2c1)S(=O)Cc1ccccc1N
COc1cccc(CS(=O)c2nc3ccccc3[nH]2)c1N
Cc1ccc(C)c(CS(=O)c2nc3ccccc3[nH]2)c1N
CCOC(=O)c1ccc(N)c(CS(=O)c2nc3ccc(OC)cc3[nH]2)c1
Cc1ccc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
Cc1c(Cl)ccc(CS(=O)c2nc3ccccc3[nH]2)c1N
COc1cc2nc([nH]c2cc1OC)S(=O)Cc1ccccc1N
COc1ccc2nc([nH]c2c1)S(=O)Cc1cc(C)ccc1N
Nc1ccc(cc1CS(=O)c1nc2ccccc2[nH]1)C(F)(F)F
COc1ccc2nc([nH]c2c1)S(=O)Cc1c(N)cc(C)c(OC)c1C
Cc1cccc(CS(=O)c2nc3ccccc3[nH]2)c1N
Cc1ccc(C)c(CS(=O)c2nc3ccc(cc3[nH]2)C(F)(F)F)c1N
CCc1cccc(CS(=O)c2nc3ccccc3[nH]2)c1N
Cc1cc(Cl)cc(CS(=O)c2nc3ccccc3[nH]2)c1N
CNc1ccccc1CS(=O)c1nc2ccccc2[nH]1
Cc1cc2nc([nH]c2cc1C)S(=O)Cc1ccccc1N
CCc1ccc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
Cc1cccc2[nH]c(nc12)S(=O)Cc1ccccc1N
COc1cc(Cl)c(C)c(CS(=O)c2nc3ccccc3[nH]2)c1N
COc1ccc2nc([nH]c2c1)S(=O)Cc1ccccc1N
COc1c(C)cc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1C
Nc1ccccc1CS(=O)c1nc2ccccc2[nH]1
CCCCc1ccc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
COC(=O)c1cccc(CS(=O)c2nc3ccccc3[nH]2)c1N
CC(=O)Nc1ccccc1CS(=O)c1nc2ccccc2[nH]1
CCOc1ccc2nc([nH]c2c1)S(=O)Cc1ccccc1N
COc1cccc(CS(=O)c2nc3ccc(cc3[nH]2)C(F)(F)F)c1N
Cc1cc(C)c(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
Nc1ccccc1CS(=O)c1nc2ccc(cc2[nH]1)C(F)(F)F
Nc1ccccc1CS(=O)c1nc2ccc(Cl)cc2[nH]1
CN(C)c1ccccc1CS(=O)c1nc2ccccc2[nH]1
Nc1ccc(Cl)cc1CS(=O)c1nc2ccccc2[nH]1
COc1ccc2nc([nH]c2c1)S(=O)Cc1cccc(C)c1N
Cc1ccc2nc([nH]c2c1)S(=O)Cc1ccc(C)c(C)c1N
COc1ccc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
Cc1cccc(N)c1CS(=O)c1nc2ccccc2[nH]1
Nc1cc(Cl)ccc1CS(=O)c1nc2ccccc2[nH]1
Cc1cc(N)c(CS(=O)c2nc3ccccc3[nH]2)c(C)c1C
O=S(Cc1ccccn1)c1nc2ccccc2[nH]1
CCOc1ccc2nc([nH]c2c1)S(=O)Cc1cc(C)ccc1N
Cc1ccc(CS(=O)c2nc3ccccc3[nH]2)c(N)c1C
CCOC(=O)c1ccc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
CCCC(=O)c1cnc2c(cccc2c1Nc1ccccc1C)C1OC1CO
CCC(=O)c1cnc2c(OCCOC)cccc2c1Nc1ccc(F)cc1C
CCCC(=O)c1cnc2c(cccc2c1Nc1ccccc1C)C(C)=O
CCC(=O)c1cnc2c(O)cccc2c1Nc1ccc(F)cc1C
CCCC(=O)c1cnc2c(OCCO)cccc2c1Nc1ccc(F)cc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cc(C)ccc1C
CCCC(=O)c1cnc2c(OC)cc(O)cc2c1Nc1ccccc1C
CCC(=O)c1cnc2c(OCCOC)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(CC(=O)OC)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1O
CCCC(=O)c1cnc2c(OCCCN(C)C)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OCCCc3nc4ccccc4[nH]3)cccc2c1Nc1c(C)cccc1C
CCCC(=O)c1cnc2c(cccc2c1Nc1ccccc1C)C1COCO1
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1OC
COCCOc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)C(C)C
CCCC(=O)c1cnc2c(OCCCN(C)CCCc3ccccc3)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1
CCCC(=O)c1cnc2c(CC(O)=O)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(OC)cc1OC
CCCC(=O)c1cnc2c(cccc2c1Nc1ccccc1C)C(C)O
CC(C)C(=O)c1cnc2c(CO)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1CC
CC(C)C(=O)c1cnc2c(CO)cccc2c1Nc1ccc(O)cc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(F)cc1C
CCCC(=O)c1cnc2ccc(N)cc2c1Nc1c(C)cccc1C
CCCC(=O)c1cnc2ccc(O)cc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(NS(C)(=O)=O)cc1C
CCC(=O)c1cnc2c(Oc3ccccn3)cccc2c1Nc1c(C)cccc1C
CCCC(=O)c1cnc2c(cccc2c1Nc1ccccc1C)C(O)C=C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cccc(CO)c1C
CCCC(=O)c1cnc2c(F)cccc2c1Nc1ccc(O)cc1C
CCCC(=O)c1cnc2c(OCCCNc3ccccn3)cccc2c1Nc1c(C)cccc1C
CC(C)C(=O)c1cnc2c(CO)cccc2c1Nc1ccc(F)cc1C
CCCC(=O)c1cnc2c(COC(=O)CC)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2ccc(O)cc2c1Nc1ccc(O)cc1C
CCCC(=O)c1cnc2c(OCCCNC(C)=O)cccc2c1Nc1c(C)cccc1C
CCCC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1OC
CCCC(=O)c1cnc2c(O)cccc2c1Nc1ccc(F)cc1C
CCCC(=O)c1cnc2c(CO)cccc2c1Nc1ccc(O)cc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1c(C)cc(O)cc1C
CCCC(=O)c1cnc2c(Oc3ccnc(Cl)c3)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cc(C)cc(C)c1
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(O)cc1C
CCCC(=O)c1cnc2c(CO)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OCCCC(=O)Nc3ccncc3)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(C=CCO)cccc2c1Nc1ccccc1C |w:11.11|
CC(C)C(=O)c1cnc2c(O)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2cc(O)ccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cccc(C)c1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(O)cc1
CCCC(=O)c1cnc2c(cccc2c1Nc1ccc(O)cc1C)C(C)O
CCC(=O)c1cnc2c(O)cccc2c1Nc1ccccc1C
CC(C)C(=O)c1cnc2c(OCCO)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(OCCCn2ccnc2)cc1C
CCCC(=O)c1c(C)nc2ccccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1CC
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1c(C)cc(C)cc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1COC
CCCC(=O)c1cnc2c(OCCOCCO)cccc2c1Nc1ccc(F)cc1C
CCCC(=O)c1cnc2c(NCCCN3CCOCC3)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2ccccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(C)cccc2c1Nc1ccc(OC)cc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1c(C)cc(O)c(O)c1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(cc1C)N(C)C
CCCC(=O)c1cnc2c(O)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OCCN(C)C)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OCCO)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(cccc2c1Nc1ccccc1C)C1CO1
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1CO
CCCC(=O)c1cnc2c(OCCCN(C)Cc3ccccc3)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(Oc3cnccn3)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OCCOCCO)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(OC(=O)CC)cc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(C)cc1C
CC(C)C(=O)c1cnc2c(O)cccc2c1Nc1ccc(F)cc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1OCC
CCC(=O)c1cnc2c(CO)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(NC(C)=O)cc1C
CCCC(=O)c1cnc2c(cccc2c1Nc1ccccc1C)C(=O)OC
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1c(OC)cc(OC)cc1OC
CCCC(=O)c1cnc2c(OCCCC(=O)NC(C)(C)CO)cccc2c1Nc1c(C)cccc1C
CCCC(=O)c1cnc2c(C=O)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OCCCC(=O)OCC)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(N)cccc2c1Nc1c(C)cccc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(OC)cc1C
CCCC(=O)c1cnc2ccc(CO)cc2c1Nc1ccccc1C
CCCC(=O)c1cnc2ccc(OC)cc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OCCCN3CCOCC3)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(N)cccc2c1Nc1ccccc1C
CCC(=O)c1cnc2c(OCCCNc3nccs3)cccc2c1Nc1c(C)cccc1C
CCCC(=O)c1cnc2c(OCCCc3cnc[nH]3)cccc2c1Nc1c(C)cccc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cc(CO)ccc1C
CCCC(=O)c1cnc2c(CO)cccc2c1Nc1ccc(F)cc1C
CCCC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1Cl
CC(C)C(=O)c1cnc2c(OCCO)cccc2c1Nc1ccc(F)cc1C
CCCC(=O)c1cnc2c(COC(=O)NC)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OCCOCCOCCO)cccc2c1Nc1ccc(F)cc1C
CCC(=O)c1cnc2c(CO)cccc2c1Nc1ccc(O)cc1C
CCCC(=O)c1cnc2c(C)cccc2c1Nc1c(C)cccc1C
CCCC(=O)c1cnc2c(OC)cc(O)cc2c1Nc1ccc(F)cc1C
CCCC(=O)c1cnc2c(C)cccc2c1Nc1ccc(OC)cc1OC
CCCC(=O)c1cnc2c(OCCOC)cccc2c1Nc1ccc(F)cc1C
COCCOc1cccc2c(Nc3ccc(F)cc3C)c(cnc12)C(=O)C(C)C
CCCC(=O)c1cnc2c(cccc2c1Nc1ccccc1C)C(N)=O
CCC(=O)c1cnc2c(OCCO)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(N)cc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1c(C)cccc1C
CCCC(=O)c1cnc2c(OCCCN3CCCC3)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OCCOCCOCCO)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(CCCO)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OCCCO)cccc2c1Nc1c(C)cccc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1c(C)cc2OCOc2c1C
CCCC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(NCCO)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OCCO)cccc2c1Nc1ccc(O)cc1C
CCCC(=O)c1cnc2c(OCCOC)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(cccc2c1Nc1ccc(O)cc1C)C(C)=O
CCCC(=O)c1cnc2c(OCCCN3CCCCC3)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OCCCC(N)=O)cccc2c1Nc1c(C)cccc1C
CCC(=O)c1cnc2c(OCCO)cccc2c1Nc1ccc(F)cc1C
CCCC(=O)c1cnc2c(NCCc3cnc[nH]3)cccc2c1Nc1ccccc1C
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc2OCOc2c1
CCCC(=O)c1cnc2c(cccc2c1Nc1ccccc1C)C(O)=O
COc1cccc2c(nc(N)nc12)N(C)c1ccccc1
Cc1ccccc1Nc1nc(N)nc2c(C)cccc12
CN(c1ccccc1)c1nc(Nc2ccccc2C)nc2ccc(O)cc12
COc1cccc2c(Nc3ccccc3C)nc(NCc3nccs3)nc12
COc1cccc2c(Nc3ccccc3C)ncnc12
COc1cccc2c(nc(Nc3ccccc3C)nc12)N(C)c1ccccc1
CN(c1ccccc1)c1nc(Nc2ccc(F)cc2C)nc2ccccc12
CN(c1ccccc1)c1nc(Nc2ccc(F)cc2C)nc2sccc12
CN(c1ccccc1)c1nc(N(C)c2ccccc2)c2ccccc2n1
COc1ccc(Nc2nc(N(C)c3ccccc3)c3sccc3n2)c(C)c1
Cc1ccccc1Nc1nc(N)nc2ccccc12
COc1cccc2c(Nc3ccccc3C)nc(NCCc3ccccc3)nc12
CN(c1ccccc1C)c1nc(Nc2ccccc2C)c2ccccc2n1
COc1ccc2nc(Nc3ccc(F)cc3C)nc(N(C)c3ccccc3)c2c1
COc1cccc2c(Nc3ccccc3C)nc(nc12)N(C)C
Cc1ccccc1Nc1nc(NCCc2ccccc2)nc2ccccc12
CN(c1ccccc1)c1nc(N(C)c2ccccc2)c2ccsc2n1
CN(C)CCOc1ccc2nc(Nc3ccc(F)cc3C)nc(N(C)c3ccccc3)c2c1
COc1ccc2nc(Nc3ccccc3C)nc(N(C)c3ccccc3)c2c1
COc1ccc(cc1)[N+](\C)=c1\nc(Nc2ccccc2C)n(C)c2ccccc12
CCN(c1ccccc1)c1nc(Nc2ccccc2C)nc2ccccc12
CN(c1ccccc1)c1nc(Nc2ccc(F)cc2C)nc2c(F)cccc12
Cc1ccccc1Nc1nc(NCCO)nc2ccccc12
CN(c1ccccc1)c1nc(Nc2ccc(F)cc2C)nc2ccsc12
Cc1ccccc1Nc1nc(Nc2ccccc2)c2ccccc2n1
CN(c1ccccc1)c1nc(Nc2ccc(F)cc2C)nc2c(OCCO)cccc12
COc1cccc2c(Nc3ccccc3C)nc(Nc3ccccc3C)nc12
CN(c1ccccc1)c1nc(Nc2ccc(F)cc2C)nc2ccc(OCCCN3CCOCC3)cc12
COc1cccc2c(nc(Nc3ccc(F)cc3C)nc12)N(C)c1ccccc1
CN(c1ccccc1)c1nc(Nc2ccccc2C)nc2sccc12
COc1ccc(cc1)N(C)c1nc(Nc2ccccc2C)nc2ccccc12
COc1cccc2c(nc(Nc3ccccc3C)nc12)N(C)c1ccccc1C
COc1cccc2c(nc(Nc3ccc(F)cc3C)nc12)N(C)c1ccccc1C
Cc1ccccc1N1CCc2c1c1cccc(C)c1nc2Nc1ccc(F)cc1C
CN(C)CCCOc1cccc2c(nc(Nc3ccccc3C)nc12)N(C)c1ccccc1
Cc1ccccc1Nc1nc(NCc2ccccc2)nc2ccccc12
CN(c1ccccc1)c1nc(Nc2ccccc2C)nc2ccsc12
COc1cccc2c(Nc3ccccc3C)nc(nc12)N1CCCC1
CN(c1ccccc1)c1nc(Nc2ccc(Cl)cc2C)nc2ccccc12
CN(c1ccccc1)c1nc(Nc2ccc(F)cc2C)nc2c(O)cccc12
COc1cccc2c(nc(nc12)N(C)c1ccccc1)N(C)c1ccccc1
CN(c1ccccc1)c1nc(N)nc2ccccc12
CN(c1ccccc1)c1nc(Nc2ccccc2C)nc2c(OCCO)cccc12
COc1ccc(Nc2nc(N(C)c3ccccc3)c3ccccc3n2)c(C)c1
Cc1ccccc1Nc1nc(Nc2ccccc2C)c2ccccc2n1
CCOC(=O)COc1cccc2c(nc(Nc3ccc(F)cc3C)nc12)N(C)c1ccccc1
CN(c1ccc(O)cc1)c1nc(Nc2ccccc2C)nc2ccccc12
CNc1nc(Nc2ccccc2C)c2cccc(OC)c2n1
CN(c1ccccc1)c1nc(Nc2ccccc2C)nc2ccccc12
COc1cccc2c(Nc3ccccc3C)nc(N)nc12
CN(c1ccc(F)cc1)c1nc(Nc2ccccc2C)nc2ccccc12
CN(c1ccccc1)c1nc(Nc2ccc(O)cc2C)nc2ccccc12
CN(c1ccccc1)c1nc(Nc2ccccc2C)nc2c(O)cccc12
CN(c1ccccc1)c1nc(Nc2ccc(F)cc2C)nc2ccc(O)cc12
Cc1ccccc1Nc1nc(nc2ccccc12)N1CCCC1
COc1cccc2c(Nc3ccccc3C)nc(nc12)N(C)c1ccccc1
CN(c1ccccc1C)c1nc(Nc2ccccc2C)nc2ccccc12
CN(c1ccccc1)c1nc(N(C)c2ccccc2)c2sccc2n1
CCNc1nc(Nc2ccccc2C)c2ccccc2n1
CN(c1ccccc1)c1nc(Nc2ccc(F)cc2C)nc2c(OCCCN3CCOCC3)cccc12
CN(C)CCCOc1ccc2nc(Nc3ccc(F)cc3C)nc(N(C)c3ccccc3)c2c1
CN(C)CCCOc1cccc2c(nc(Nc3ccc(F)cc3C)nc12)N(C)c1ccccc1
CN(c1ccccc1)c1nc(Nc2ccccc2)nc2ccccc12
COc1cccc2c(Nc3ccccc3C)nc(NCc3ccco3)nc12
COc1cccc2c(Nc3ccccc3C)nc(NCc3ccccc3)nc12
CN(C)c1ccccc1CS(=O)c1nccn1-c1ccc(cn1)[N+]([O-])=O
CN(C)c1ccccc1CS(=O)c1nccn1-c1ncccc1OCc1ccccc1
CN(C)c1ccccc1CS(=O)c1nccn1-c1ccccn1
CCNc1ccccc1CS(=O)c1nccn1-c1ncccc1C
CNc1ccccc1CS(=O)c1nccn1-c1ccccn1
CCNc1ccccc1CS(=O)c1nccn1-c1ncccc1OC
CN(C)c1ccccc1CS(=O)c1nc2CCCc2n1-c1ccccn1
COc1cccnc1-n1ccnc1S(=O)Cc1ccccc1N(C)C
CN(C)c1ccccc1CS(=O)c1nccn1-c1ccc(N)cn1
CN(C)c1ccccc1CS(=O)c1nccn1-c1ccc(C)cn1
CC(C)Oc1cccnc1-n1ccnc1S(=O)Cc1ccccc1N(C)C
CN(C)c1ccccc1CS(=O)c1nccn1Cc1ccccn1
CN(C)c1ccccc1CS(=O)c1nccn1-c1cc(C)cc(C)n1
COc1cccnc1-n1ccnc1S(=O)Cc1ccccc1N
CN(C)c1ccccc1CS(=O)c1nccn1-c1ncccc1C
COc1cccnc1-n1c2CCCc2nc1S(=O)Cc1ccccc1N(C)C |(8.59,-16.06,;9.85,-15.16,;9.71,-13.64,;8.31,-12.99,;8.16,-11.47,;9.4,-10.58,;10.8,-11.22,;10.96,-12.75,;12.36,-13.38,;12.59,-14.92,;12,-16.51,;13.34,-17.56,;14.75,-16.61,;14.29,-14.98,;14.85,-13.54,;13.66,-12.56,;13.75,-11.02,;12.45,-10.17,;15.1,-10.33,;16.41,-11.17,;16.31,-12.71,;17.59,-13.56,;18.96,-12.86,;19.06,-11.31,;17.78,-10.47,;17.86,-8.95,;16.58,-8.1,;19.22,-8.26,)|
CCN(CC)c1ccccc1CS(=O)c1nccn1-c1ccccn1
CN(C)c1ccccc1CS(=O)c1nccn1-c1cc(C)ccn1
CN(C)c1ccccc1CS(=O)c1nccn1-c1ncccc1[O-]
CN(C)c1ccccc1CS(=O)c1nccn1-c1cccc(C)n1
Cc1cccnc1-n1c2CCCc2nc1S(=O)Cc1ccccc1N |(9.85,-15.16,;9.71,-13.64,;8.31,-12.99,;8.16,-11.47,;9.4,-10.58,;10.8,-11.22,;10.96,-12.75,;12.36,-13.38,;12.59,-14.92,;12,-16.51,;13.34,-17.56,;14.75,-16.61,;14.29,-14.98,;14.85,-13.54,;13.66,-12.56,;13.75,-11.02,;12.45,-10.17,;15.1,-10.33,;16.41,-11.17,;16.31,-12.71,;17.59,-13.56,;18.96,-12.86,;19.06,-11.31,;17.78,-10.47,;17.86,-8.95,)|
CN(C)c1ccccc1CS(=O)c1nccn1-c1nccc2ccccc12
CCN(CC)c1ccccc1CS(=O)c1nc2CCCc2n1-c1ccccn1
CN(C)c1ccccc1CS(=O)c1nc2CCCc2n1Cc1ccccn1
COc1cc(C)nc(c1)-n1ccnc1S(=O)Cc1ccccc1N(C)C
CNc1ccccc1CS(=O)c1nc2CCCc2n1-c1ncccc1C |(19.22,-8.27,;17.87,-8.96,;17.78,-10.48,;19.06,-11.31,;18.97,-12.86,;17.59,-13.56,;16.32,-12.71,;16.41,-11.17,;15.11,-10.33,;13.75,-11.03,;12.45,-10.17,;13.66,-12.56,;14.85,-13.55,;14.29,-14.98,;14.76,-16.62,;13.34,-17.56,;12,-16.52,;12.59,-14.92,;12.36,-13.38,;10.96,-12.75,;10.8,-11.22,;9.41,-10.58,;8.17,-11.47,;8.31,-12.99,;9.71,-13.64,;9.85,-15.17,)|
CN(C)c1ccccc1CS(=O)c1nccn1-c1ccc(cn1)C(F)(F)F
CN(C)c1ccccc1CS(=O)c1nccn1C
CN(C)c1ccccc1CS(=O)c1nc2CCCCc2n1-c1ccccn1
COc1cnc(cc1OC)-n1ccnc1S(=O)Cc1ccccc1N(C)C
CN(C)c1ccccc1CS(=O)c1nccn1-c1ccncc1
COc1ccc(nc1)-n1ccnc1S(=O)Cc1ccccc1N(C)C
Cc1cccnc1-n1ccnc1S(=O)Cc1ccccc1N
CN(C)c1ccccc1CS(=O)c1nccn1-c1ccc(NC(C)=O)cn1
CNc1ccccc1CS(=O)c1nccn1-c1ncccc1OC
CN(C)c1ccccc1CS(=O)c1nccn1CCc1ccccn1
CN(C)c1ccccc1CS(=O)c1nc2CCCc2n1-c1ccccc1
CN(C)c1ccccc1CS(=O)c1nc2CCCc2n1Cc1ccccc1
CN(C)c1ccccc1CS(=O)c1nccn1-c1cc(OCC(F)(F)F)ccn1
CN(C)c1ccccc1CS(=O)c1ncc[nH]1
CN(C)c1ccccc1CS(=O)c1nc2CCCc2n1-c1ncccc1C |(19.23,-8.27,;17.87,-8.96,;16.59,-8.1,;17.78,-10.48,;19.06,-11.32,;18.97,-12.87,;17.6,-13.56,;16.32,-12.71,;16.41,-11.18,;15.11,-10.33,;13.75,-11.03,;12.46,-10.18,;13.67,-12.56,;14.85,-13.55,;14.29,-14.98,;14.76,-16.62,;13.34,-17.57,;12.01,-16.52,;12.6,-14.92,;12.36,-13.39,;10.97,-12.75,;10.8,-11.22,;9.41,-10.59,;8.17,-11.47,;8.31,-12.99,;9.71,-13.64,;9.85,-15.17,)|
CN(C)c1ccccc1CS(=O)c1nccn1-c1ccc(Cl)cn1
CN(C)c1ccccc1CS(=O)c1nccn1-c1ccc(cn1)C#N
CN(C)c1ccccc1CS(=O)c1nccn1-c1ncccc1OC(C)=O
COc1ccnc(c1)-n1ccnc1S(=O)Cc1ccccc1N(C)C
Nc1ccccc1CS(=O)c1nccn1-c1ccccn1
CN(C)c1ccccc1CS(=O)c1nccn1Cc1ccccc1
COc1cccc(n1)-n1ccnc1S(=O)Cc1ccccc1N(C)C
CN(C)c1ccccc1CS(=O)c1nccn1-c1ccccc1
CN(C)c1ccccc1CS(=O)c1nccn1-c1ncc(Br)cc1C
CCN(CC)c1ccccc1CS(=O)c1nccn1-c1ncccc1C
CNc1ccccc1CS(=O)c1nccn1-c1ncccc1C
COc1cc(C)c(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1
O=c1n(sc2ncccc12)-c1ccccc1
COc1cc(OC)c(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1
CCOc1ccc(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OCC)c1
COc1ccc(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1C
CCOc1cc(OC)ccc1CS(=O)c1ncccc1C(=O)Nc1ccncc1
O=c1n(sc2ncccc12)-c1ccncc1
COc1cc(OC)c(CS(=O)c2ncccc2C(=O)Nc2ccncc2)cc1Br
COc1cc(OC)c(OC)cc1CS(=O)c1ncccc1C(=O)Nc1ccncc1
CC(C)Cn1sc2ncccc2c1=O
Cc1ccc(cc1)C(c1ccc(C)cc1)S(=O)c1ncccc1C(=O)Nc1ccncc1
COc1ccc(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OCCF)c1
COc1cccc(OC)c1CS(=O)c1ncccc1C(=O)Nc1ccncc1
COc1ccc(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1
COc1ccc(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OCCO)c1
Cc1nc2c(C\C=C\c3ccccc3)cccn2c1CC#N
Cc1nc2c(OCc3ccccc3)c(C)ccn2c1CC#N
Cc1nc2c(CCc3ccccc3)cccn2c1N
Cc1nc2c(\C=C/c3ccccc3)cccn2c1C
Cc1nc2c3OC(CCc3ccn2c1CC#N)c1ccccc1
Cc1nc2c(OCc3ccccc3)nccn2c1N
Cc1nc2c(CCc3ccccc3)cccn2c1CC#N
Cc1nc2c(OCc3ccccc3)cccn2c1N
Cc1nc2c(\C=C\Cc3ccccc3)cccn2c1N
Cc1nc2c(OCc3ccccc3)cccn2c1CO
Cc1nc2c(\C=C\Cc3ccccc3)cccn2c1CC#N
Cc1nc2c(\C=C\c3ccccc3)cccn2c1C
Cc1c(n2cccc(c2n1)OCc3ccccc3)CC#N
COc1c(C)cnc(CCC2(C)Nc3ccccc3S2)c1C
COc1c(C)cnc(\C=C\C2(C)Nc3ccccc3S2)c1C
COc1c(C)cnc(CCC2(C)Nc3cc(F)ccc3S2)c1C
COc1c(C)cnc(CCC2(C)Nc3cc(Cl)ccc3S2)c1C
COc1c(C)cnc(CCC2(C)Nc3cc(ccc3S2)C(F)(F)F)c1C
COc1cccc2c3n(cc(C)c3c(C)nc12)-c1ccccc1C
COc1cccc2c3n(cc(C)c3cnc12)-c1ccc(OC(C)=O)cc1C
CCc1cn(-c2ccc(O)cc2C)c2c1cnc1c(OC)cccc21
COc1cccc2c3n(cc(CO)c3cnc12)-c1ccccc1C
Cc1cn(-c2ccccc2C)c2c1cnc1c(OC(F)(F)F)cccc21
COc1cccc2c3n(cc(C)c3cnc12)-c1ccccc1C
COc1cccc2c3n(cc(C)c3c(C)nc12)-c1ccc(F)cc1C
COc1cccc2c3n(cc(C(C)C)c3cnc12)-c1ccccc1C
COc1cccc2c3n(cc(CCO)c3cnc12)-c1ccccc1C
Cc1cn(-c2ccccc2C)c2c1cnc1c(O)cccc21
COc1cccc2c3n(cc(CCO)c3cnc12)-c1ccc(F)cc1C
COc1cccc2c3n(cc(C)c3cnc12)-c1ccc(F)cc1C
COc1cccc2c3n(cc(CO)c3cnc12)-c1ccc(F)cc1C
COc1cccc2c3n(cc(C(C)C)c3cnc12)-c1ccc(O)cc1C
CCc1cn(-c2ccc(F)cc2C)c2c1cnc1c(OC)cccc21
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4
CC1=CCC(CC(O[Si](C)(C)C(C)(C)C)c2ccccc2I)C(=O)CC1 |t:1|
Cc1cnc(cc1OC1CCCCC1)C(CO)Cc1cccc2ccccc12
Cc1cnc(cc1OCc1ccccc1O)C(CO)Cc1cccc2ccccc12
Cc1cnc(cc1OCC1CCCCC1)C(CO)Cc1cccc2ccccc12
Cc1cnc(cc1OCc1ccccc1O)C(\CO)=C/c1cccc2ccccc12
COc1ccccc1COc1cc(ncc1C)C(\CO)=C/c1cccc2ccccc12
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cc(ncc1-[#6])-[#6](-[#6]-[#8])-[#6]-c1cccc2ccccc12
Cc1cnc(cc1OCC(C)(C)C)C(CO)Cc1cccc2ccccc12
C(CCn1ccnc1)COc1ccc(\C=C\c2nc3ccccc3o2)cc1
C(COc1ccc(cc1)-c1csc(n1)-c1ccccc1)Cn1ccnn1
CCCCN(CCCC)CCCOc1ccc(\C=C\c2nc3ccccc3o2)cc1
C(COc1ccc(cc1)-c1csc(n1)-c1cccnc1)Cn1ccnc1
CCCCN(CCCC)CCCOc1ccc(cc1)-c1csc(n1)-c1ccc(Cl)cc1
C(CCn1ccnc1)COc1ccc(cc1)-c1csc(n1)-c1ccccc1
CCN(CC)CCCOc1ccc(\C=C\c2nc3ccccc3s2)cc1
C(COc1ccc(\C=C\c2nc3ccccc3s2)cc1)CN1CCCCC1
CCCN(CCC)CCCOc1ccc(cc1)-c1nc2ccccc2s1
CCCCN(CCCC)CCCOc1ccc(\C=C\c2nc3ccccc3n2C)cc1
CCCCN(CCCC)CCCOc1ccc(cc1)-c1nc2ccccc2[nH]1
CCCN(CCC)CCCCOc1ccc(\C=C\c2nc3ccccc3o2)cc1
CCCCN(CCCC)CCCOc1ccc(\C=C\c2nc3cc(Cl)ccc3s2)cc1
FC(F)(F)c1ccc(cc1)-c1nc(cs1)-c1ccc(OCCCn2ccnc2)cc1
C(CCOc1ccc(\C=C\c2nc3ccccc3o2)cc1)CCn1ccnc1
CCCN(CCC)CCCOc1ccc(\C=C\c2nc3ccccc3s2)cc1
C(COc1ccc(\C=C\c2nc3ccccc3o2)cc1)Cn1ccnc1
C(CCN1CCCCC1)COc1ccc(\C=C\c2nc3ccccc3o2)cc1
CCCCN(CCCC)CCCOc1ccc(cc1)-c1nc2ccccc2s1
C(COc1ccc(cc1)-c1csc(n1)-c1ccccc1)Cn1ccnc1
CCCCN(CCCC)CCCOc1ccc(cc1)-c1nc(sc1C)-c1ccccc1
CCCCN(CCCC)CCCOc1ccc(cc1)-c1csc(C)n1
CCCCN(CCCC)CCCOc1ccc(cc1)-c1nc(sc1CC)-c1ccccc1
CCCCN(CCCC)CCCOc1ccc(cc1)-c1csc(n1)-c1cccnc1
CCCN(CCC)CCCOc1ccc(\C=C\c2nc3ccccc3o2)cc1
C(CCN1CCCC1)COc1ccc(\C=C\c2nc3ccccc3o2)cc1
C(CCN1CCCC1)COc1ccc(\C=C\c2nc3ccccc3s2)cc1
CCCCN(CCCC)CCCOc1ccc(\C=C\c2nc3ccc(OC)cc3s2)cc1
CCCCN(CCCC)CCCOc1ccc(cc1)-c1csc(n1)-c1cc(OC)cc(OC)c1
CCN(CC)CCCCOc1ccc(\C=C\c2nc3ccccc3s2)cc1
CCCN(CCC)CCCCOc1ccc(\C=C\c2nc3ccccc3s2)cc1
CCCCN(CCCC)CCCCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1
CCCCN(CCCC)CCCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1
CCCCN(CCCC)CCOc1ccc(cc1)-c1csc(n1)-c1ccccc1
C(CCn1ccnc1)COc1ccc(\C=C\c2nc3ccccc3s2)cc1
CCN(CC)CCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1
CCCN(CCC)CCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1
CCCCN(CCCC)CCCOc1ccc(\C=C\c2nc3ccc(OC)cc3o2)cc1
CCCCN(CCCC)CCCOc1ccc(cc1)-c1csc(n1)-c1ccc(cc1)C(F)(F)F
CCCCN(CCCC)CCCCOc1ccc(\C=C\c2nc3ccccc3o2)cc1
CCN(CC)CCCOc1ccc(\C=C\c2nc3ccccc3o2)cc1
C(COc1ccc(cc1)-c1csc(n1)-c1ccccc1)CN1CCCC1
CCN(CC)CCCCOc1ccc(\C=C\c2nc3ccccc3o2)cc1
CCCCN(CCCC)CCCOc1ccc(\C=C\c2nc3cc(C)ccc3o2)cc1
CCCCN(CCCC)CCCOc1ccc(\C=C\c2nc3ccccc3s2)cc1
CCCCN(CCCC)CCCOc1ccc(cc1)-c1csc(n1)-c1ccc(OC)cc1
CCCCN(CCCC)CCCOc1ccc(\C=C\c2nc3cc(C)ccc3s2)cc1
CCCCN(CCCC)CCOc1ccc(\C=C\c2nc3ccccc3o2)cc1
CCCCN(CCCC)CCCOc1ccc(\C=C\c2nc3ccccc3[nH]2)cc1
C(COc1ccc(cc1)-c1csc(n1)-c1ccccc1)CN1CCCCC1
CCCCN(CCCC)CCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1
C(COc1ccc(\C=C\c2nc3ccccc3s2)cc1)Cn1ccnc1
CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6|
CCCCN(CCCC)CCCOc1ccc(cc1)-c1csc(n1)-c1ccc(C)cc1
CCCCN(CCCC)CCOc1ccc(\C=C\c2nc3ccccc3s2)cc1
CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
Cc1cc(c[nH]1)-c1nc(N=C(N)N)sc1C
Cc1cc(c[nH]1)-c1csc(N=C(N)N)n1 |(18.9,-14.7,;17.37,-14.88,;16.59,-16.21,;15.08,-15.91,;14.92,-14.38,;16.33,-13.73,;13.86,-16.84,;13.89,-18.36,;12.45,-18.88,;11.52,-17.64,;9.97,-17.68,;9.23,-19.03,;7.69,-19.06,;10.04,-20.34,;12.41,-16.39,)|
NC(N)=Nc1cc(Cl)nc(n1)-c1ccccc1
Nc1ccc(cc1)-c1csc(NC(=N)NCc2ccccc2)n1
Cc1[nH]ccc1-c1nc(N=C(N)N)sc1C |(1.49,-2.06,;.77,-1.06,;1.25,.4,;,1.31,;-1.25,.4,;-.77,-1.06,;-1.68,-2.31,;-1.07,-3.71,;-2.24,-4.71,;-2.12,-6.24,;-3.4,-7.11,;-3.3,-8.34,;-4.51,-6.58,;-3.55,-3.9,;-3.19,-2.41,;-3.99,-1.46,)|
Cc1sc(N=C(N)N)nc1-c1c[nH]c2ccccc12
Cc1cc(c[nH]1)-c1nc(N=C(N)NCCc2ccccc2)sc1C |w:9.9|
Cc1[nH]ccc1-c1nc(N=C(N)NCc2ccccc2)sc1C |w:9.9|
Cc1cc(c[nH]1)-c1csc(N=C(N)NCc2ccc(Cl)cc2)n1 |w:10.10|
N=C(NCc1ccccc1)Nc1nc(cs1)-c1cc2ccccc2[nH]1
Cc1cccc2[nH]cc(-c3csc(N=C(N)NCc4ccccc4)n3)c12 |w:13.12|
NC(=N)Nc1nc(cs1)-c1cc2cc(F)ccc2[nH]1
Cc1sc(N=C(N)N)nc1-c1c[nH]c(C=O)c1 |(1.5,-2.06,;.77,-1.06,;1.25,.41,;,1.31,;-0,2.85,;-1.34,3.62,;-1.34,4.85,;-2.41,3,;-1.25,.41,;-.77,-1.06,;-1.68,-2.31,;-3.2,-2.41,;-3.56,-3.91,;-2.24,-4.71,;-2.12,-6.25,;-1.01,-6.78,;-1.07,-3.71,)|
NC(=N)Nc1nc(cs1)-c1ccc(O)c(O)c1
Oc1ccc(cc1O)-c1csc(NC(=N)NCc2ccccc2)n1
CC(=O)Nc1ccc2[nH]cc(-c3csc(N=C(N)NCc4ccccc4)n3)c2c1 |w:15.14|
Cc1cc(c[nH]1)-c1nc(NC(N)=NCc2ccc(C)cc2)sc1C |w:12.13|
Cc1cc(c[nH]1)-c1nc(N=C(N)NCc2ccccc2)sc1C |w:9.9|
NC(=N)Nc1nc(cs1)-c1c[nH]c2ccc(Cl)cc12
Cc1ccc([nH]1)-c1csc(N=C(N)N)n1
NC(NCc1ccccc1)=Nc1nc(cs1)-c1ccc[nH]1 |w:10.11|
COc1cccc(c1)-c1csc(N=C(N)N)n1
NC(N)=Nc1nc(cs1)-c1ccc[nH]1
Cc1ccccc1-c1csc(N=C(N)NCc2ccccc2)n1 |w:11.11|
NC(=N)Nc1nc-2c(CCc3ccccc-23)s1
CN(C)Cc1cc(c[nH]1)-c1csc(N=C(N)N)n1
Cc1sc(N=C(N)NCc2ccccc2)nc1-c1ccc(O)c(O)c1 |w:4.3|
N=C(NCc1ccccc1)Nc1nc(cs1)-c1c[nH]c2ccccc12
NC(NCc1ccccc1)=Nc1nc(cs1)-c1c[nH]c2ccc(Br)cc12 |w:10.11|
NC(=N)Nc1nc(cs1)-c1c[nH]c2ccc(Br)cc12
NC(=N)Nc1nc(cs1)-c1c[nH]c2ccc(F)cc12
COC(=O)c1ccc2[nH]cc(-c3csc(N=C(N)NCc4ccccc4)n3)c2c1 |w:15.14|
COC(=O)c1ccc2[nH]cc(-c3csc(N=C(N)N)n3)c2c1 |(-4.79,3.68,;-3.72,3.07,;-3.72,1.53,;-4.78,.91,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;1.41,3.98,;2.4,5.16,;3.83,4.58,;5.14,5.39,;6.5,4.67,;7.54,5.32,;6.54,3.44,;3.72,3.05,;.3,.77,;-1.03,1.55,)|
NC(NCc1ccccc1)=Nc1nc(cs1)-c1ccccc1Cl |w:10.11|
Oc1ccccc1-c1csc(NC(=N)NCc2ccccc2)n1
[#6]-[#6](=O)-[#8]-c1ccc(cc1-[#8]-[#6](-[#6])=O)-c1csc(\[#7]=[#6](\[#7])-[#7])n1
[#6]-c1cccc(c1)-c1csc(\[#7]=[#6](\[#7])-[#7])n1
NC(NCc1ccccc1)=Nc1nc(cs1)-c1c[nH]c2ccc(F)cc12 |w:10.11|
NC(=N)Nc1nc(cs1)-c1ccc(N)cc1
Cc1ccc2c(c[nH]c2c1)-c1csc(N=C(N)NCc2ccccc2)n1 |w:14.15|
NC(NCc1ccccc1)=Nc1nc(cs1)-c1cc2cc(Cl)ccc2[nH]1 |w:10.11|
Cc1cc(cn1C)-c1csc(N=C(N)N)n1
NC(=N)Nc1nc(cs1)-c1cccc(O)c1
Cc1[nH]ccc1-c1csc(N=C(N)N)n1
CN(C)Cc1cc([nH]c1C)-c1csc(N=C(N)N)n1
Cc1sc(N=C(N)NCc2ccccc2)nc1-c1c[nH]c2ccc(Cl)cc12 |w:4.3|
Cc1cc(c[nH]1)-c1csc(N=C(N)NCc2ccccc2)n1 |w:10.10|
Cc1[nH]ccc1-c1csc(N=C(N)NCc2ccccc2)n1 |w:10.10|
Cc1ccc2[nH]cc(-c3csc(N=C(N)NCc4ccccc4)n3)c2c1 |w:12.11|
Cc1ccc2[nH]cc(-c3csc(N=C(N)N)n3)c2c1 |(-3.46,1.39,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;1.42,4,;2.41,5.18,;3.84,4.6,;5.15,5.41,;6.52,4.68,;7.57,5.33,;6.56,3.45,;3.73,3.06,;.3,.77,;-1.03,1.56,)|
[#6]-[#7](-[#6])-c1ccc(cc1)-c1csc(\[#7]=[#6](\[#7])-[#7])n1
NC(=N)Nc1nc(cs1)-c1c[nH]c2ccc(OCc3ccccc3)cc12
Cc1ccc2c(c[nH]c2c1)-c1csc(N=C(N)N)n1 |(-3.45,1.38,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;2.24,-2.7,;3.66,-3.26,;3.55,-4.79,;2.05,-5.16,;1.47,-6.58,;-.06,-6.79,;-.53,-7.93,;-.81,-5.81,;1.24,-3.85,)|
N=C(NCc1ccccc1)Nc1nc(cs1)-c1c[nH]c2ccc(OCc3ccccc3)cc12
Cc1sc(N=C(N)N)nc1-c1c[nH]c2ccc(Cl)cc12
[#6]-c1sc(\[#7]=[#6](\[#7])-[#7])nc1-c1ccn(c1-[#6])S(=O)(=O)c1ccccc1
NC(=N)Nc1nc(cs1)-c1ccc(O)cc1
[#6]-c1sc(\[#7]=[#6](\[#7])-[#7])nc1-c1ccc(-[#8])c(-[#8])c1
NC(=N)Nc1nc(cs1)-c1cc2ccccc2[nH]1
COc1ccc2[nH]cc(-c3csc(N=C(N)NCc4ccccc4)n3)c2c1 |w:13.12|
Cc1cccc2c(c[nH]c12)-c1csc(N=C(N)N)n1 |(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;2.24,-2.7,;3.66,-3.26,;3.55,-4.79,;2.05,-5.16,;1.47,-6.58,;-.06,-6.79,;-.53,-7.93,;-.81,-5.81,;1.24,-3.85,)|
NC(=N)Nc1nc(cs1)-c1ccccc1Cl
Cc1[nH]c2ccccc2c1-c1csc(N=C(N)N)n1 |(3.89,.03,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.66,-3.26,;3.55,-4.79,;2.05,-5.16,;1.47,-6.58,;-.06,-6.79,;-.53,-7.93,;-.81,-5.81,;1.24,-3.85,)|
Cc1[nH]c2ccccc2c1-c1csc(N=C(N)NCc2ccccc2)n1 |w:14.15|
Cc1[nH]c2ccc(Cl)cc2c1-c1nc(NC(=N)NCc2ccccc2)sc1C
NC(=N)Nc1nc(cs1)-c1ccc(F)cc1
[#6]-c1c(ccn1S(=O)(=O)c1ccccc1)-c1csc(\[#7]=[#6](\[#7])-[#7])n1
Cc1cccc2c(c[nH]c12)-c1csc(N=C(N)NCc2ccccc2)n1 |w:14.15|
COc1ccc2[nH]cc(-c3csc(N=C(N)N)n3)c2c1 |(-3.72,2.77,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;1.41,3.99,;2.4,5.17,;3.83,4.59,;5.14,5.4,;6.5,4.67,;7.55,5.32,;6.54,3.44,;3.72,3.05,;.3,.77,;-1.03,1.55,)|
Cc1[nH]c2ccc(Cl)cc2c1-c1nc(N=C(N)N)sc1C
NC(=N)Nc1nc(cs1)-c1cccc(Cl)c1
Clc1ccc2[nH]cc(-c3csc(NC(=N)NCc4ccccc4)n3)c2c1
[#6]-[#7](-[#6])-[#6]-c1cccc(c1)-c1csc(\[#7]=[#6](\[#7])-[#7])n1
COc1cccc(c1)-c1csc(N=C(N)NCc2ccccc2)n1 |w:12.12|
[#6]-[#8]-c1ccccc1-c1csc(\[#7]=[#6](\[#7])-[#7])n1
Cc1ccc(-c2csc(N=C(N)NCc3ccccc3)n2)n1S(=O)(=O)c1ccccc1 |w:9.8|
[#6]-c1ccc(-c2csc(\[#7]=[#6](\[#7])-[#7])n2)n1S(=O)(=O)c1ccccc1
CCCCCCNC(N)=Nc1nc(cs1)-c1c[nH]c(C)c1 |w:9.9|
CCOC(=O)c1cc([nH]c1C)-c1csc(N=C(N)N)n1
Cc1ccc([nH]1)-c1csc(N=C(N)NCc2ccccc2)n1 |w:10.10|
Cc1[nH]c2ccccc2c1-c1nc(N=C(N)N)sc1C |(3.9,.03,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.56,;-2.38,.77,;-2.38,-.77,;-1.03,-1.56,;.3,-.77,;1.76,-1.24,;2.25,-2.7,;1.24,-3.86,;2.06,-5.17,;1.47,-6.6,;2.42,-7.82,;1.96,-8.96,;3.65,-7.65,;3.55,-4.8,;3.67,-3.26,;4.71,-2.61,)|
NC(=N)Nc1nc(cs1)-c1c[nH]c2ccccc12
CC(=O)Oc1ccc(cc1OC(C)=O)-c1csc(N=C(N)NCc2ccccc2)n1 |w:18.18|
[#6]-c1ccccc1-c1csc(\[#7]=[#6](\[#7])-[#7])n1
[#6]-c1cc(cn1S(=O)(=O)c1ccccc1)-c1csc(\[#7]=[#6](\[#7])-[#7])n1
NC(=N)Nc1nc(cs1)-c1c[nH]c(c1)C(=O)N1CCCCC1
Cc1[nH]c2ccccc2c1-c1nc(N=C(N)NCc2ccccc2)sc1C |w:13.14,(3.89,.03,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;1.24,-3.85,;2.05,-5.16,;1.47,-6.58,;2.42,-7.8,;3.64,-7.63,;1.84,-9.23,;2.78,-10.44,;2.2,-11.87,;3.15,-13.09,;2.56,-14.52,;1.04,-14.72,;.1,-13.51,;.68,-12.08,;3.55,-4.79,;3.66,-3.26,;4.7,-2.6,)|
[#6]-[#8]-c1ccc(cc1)-c1csc(\[#7]=[#6](\[#7])-[#7])n1
[#7]\[#6](-[#7])=[#7]\c1nc(cs1)-c1ccccc1
Cc1cc(c[nH]1)-c1nc(N=C(N)Nc2ccccc2)sc1C |w:9.9|
COc1ccccc1-c1csc(N=C(N)NCc2ccccc2)n1 |w:12.12|
COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)c1ccccc1
CCCSc1cnc2ccccc2c1Nc1ccccc1C
CCCCNC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
COCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1
COc1cccc2c(Nc3ccccc3C)c(cnc12)C(C)O
COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)NCC=C
COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)C1CCCCC1
CCCC(O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
CCNC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
Cc1ccccc1Nc1c(cnc2ccccc12)-c1nnnn1C
Cc1ccccc1Nc1ccnc2ccccc12
Cc1ccccc1Nc1c(N)cnc2ccccc12
COc1cccc2c(Nc3ccccc3C)ccnc12
CNC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
CCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)C(C)(C)C
CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)OCCN(C)C
CCCc1cnc2c(OC)cccc2c1Nc1ccccc1C
CCCNC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
CCCCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
Cc1ccccc1Nc1c(Br)cnc2ccccc12
COc1cccc2c(Nc3ccccc3C)c(cnc12)C(C)=O
CO\N=C(/C)c1cnc2c(OC)cccc2c1Nc1ccccc1C
COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)C1CCCC1
COc1cccc2c(Nc3ccccc3C)c(C)cnc12
CCOC(=O)c1cnc2c(OC)cccc2c1N(C)c1ccccc1
COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)NCc1ccccc1
CCC(CC)C(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)C1CCC1
COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)C(C)C
COc1cccc2c(Nc3ccccc3C)c(cnc12)C(N)=O
CCOC(=O)c1cnc2ccccc2c1Nc1ccccc1C
COc1cccc2c(Nc3ccccc3C)c(CO)cnc12
COc1cnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)cc1OC
COc1ccnc(C[S+]([O-])c2nc3cc4OC(F)(F)Oc4cc3[nH]2)c1
COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1C
COc1ccnc(C[S+]([O-])c2nc3cc(OCC(F)(F)F)ccc3[nH]2)c1C
COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)c1OC
COc1cnc(C[S+]([O-])c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)cc1OC
COc1ccnc(C[S+]([O-])c2nc3cc(OCC(F)(F)F)ccc3[nH]2)c1OC
COc1cnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c(C)c1OC
COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)c1
COc1cc(C[S+]([O-])c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)ncc1C
COc1cnc(C[S+]([O-])c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)c(C)c1OC
COc1c(C)cnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1C
COc1ccnc(C[S+]([O-])c2nc3cc(F)c(OC(F)F)cc3[nH]2)c1C
COc1ccnc(C[S+]([O-])c2nc3cc(F)c(OC(F)F)cc3[nH]2)c1OC
COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)c(OC)cc3[nH]2)c1C
COc1cnc(C[S+]([O-])c2nc3cc4OC(F)(F)Oc4cc3[nH]2)c(C)c1OC
COc1cnc(C[S+]([O-])c2nc3cc(OCC(F)(F)F)ccc3[nH]2)c(C)c1OC
COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1
Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1
COc1ccnc(C[S+]([O-])c2nc3cc4OC(F)(F)Oc4cc3[nH]2)c1OC
COc1ccc2[nH]c(nc2c1)[S+]([O-])Cc1ncc(C)c(OC)c1C
COc1cc2[nH]c(nc2cc1OC(F)F)[S+]([O-])Cc1nccc(OC)c1OC
COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
COc1cnc(C[S+]([O-])c2nc3cc4OC(F)(F)Oc4cc3[nH]2)cc1OC
COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)c1C
COc1ccnc(C[S+]([O-])c2nc3cc4OC(F)(F)Oc4cc3[nH]2)c1C