1709 SMILES Strings for Histamine H4 receptor
Compound Name
SMILES String
Br.NC(=N)NCCCCCCSC(N)=N
Br.NC(=N)NCCCCSC(N)=N
Br.NC(=N)NCCCSC(N)=N
Br.NC(=N)NCCNC(N)=N
Br.NC(=N)NCCSC(N)=N
Br.NC(=N)SCCSC(N)=N
Brc1ccc(cc1)C(OCCCc1c[nH]cn1)c1ccc2ccccc2c1
Brc1cnc2nc(N3CCN4CCCC4C3)c3nncn3c2c1
Brc1cnc2nc(N3CCNCC3)c3nncn3c2c1
C#CCNC1CCc2cc(OCCCN3CCCCC3)ccc12
C(C1CCCCC1)c1cnc[nH]1
C(C1CCCCN1)c1c[nH]cn1
C(C1CCCNC1)c1c[nH]cn1
C(C1CCNC1)c1c[nH]cn1
C(C1CCNCC1)c1c[nH]cn1
C(C1CCNCC1)c1cnc[nH]1
C(C1Cc2cc(ccc2O1)-c1ccccc1)N1CCN(CC1)c1ccccc1
C(C1Cc2cc(ccc2O1)-c1ccccc1)N1CCNCC1
C(C1Cc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
C(CC1CCCCN1)Cc1c[nH]cn1
C(CC1CCCNC1)Cc1c[nH]cn1
C(CC1CCNCC1)Cc1cnc[nH]1
C(CCn1cc(CC2CCCCC2)nn1)Cc1cnc[nH]1
C(CCn1cc(Cc2ccccc2)nn1)Cc1cnc[nH]1
C(CN1CCCCC1)C#Cc1cccc(CN2CCOCC2)c1
C(CN1CCCCC1)Cn1cc(CC2CCCCC2)nn1
C(CN1CCCCC1)Cn1cc(CN2CCCCC2)nn1
C(CN1CCOCC1)Cn1cc(CC2CCCCC2)nn1
C(COC(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1cnc[nH]1
C(COC(c1ccccc1)c1ccccc1)Cc1c[nH]cn1
C(COCCCc1ccc(cc1)-c1ccccc1)Cc1c[nH]cn1
C(COCc1ccccc1)Cc1c[nH]cn1
C(COCc1ccccc1)Cc1cnc[nH]1
C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
C(COc1ccc(Cc2ccccc2)cc1)CN1CCN(CC1)c1ccncc1
C(COc1ccc(Nc2ccccc2)cc1)CN1CCN(CC1)c1ccncc1
C(COc1ccc(Oc2ccccc2)cc1)CN1CCN(CC1)c1ccncc1
C(COc1ccc2ccccc2c1)CN1CCN(CC1)c1ccncc1
C(CSC(NC1CCCC1)=NC1CCCCC1)Cc1cnc[nH]1 |w:10.11|
C(CSC(NC1CCCC1)=NCc1ccccc1)Cc1cnc[nH]1 |w:10.11|
C(CSC(NC1CCCCC1)=NCc1ccccc1)Cc1cnc[nH]1 |w:11.12|
C(C[C@@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
C(C[C@@H]1C[C@H]1c1c[nH]cn1)NCc1nc2ccccc2[nH]1 |r|
C(C[C@@H]1C[C@H]1c1cnc[nH]1)NCC1CCCCC1
C(C[C@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
C(C[C@H]1C[C@H]1c1cnc[nH]1)NCC1CCCCC1
C(Cc1c[nH]cn1)C1CCCCN1
C(Cc1c[nH]cn1)C1CCCNC1
C(Cc1cn(CC2CCCCC2)nn1)Cc1cnc[nH]1
C(Cc1cn(CCC2CCCCC2)nn1)Cc1cnc[nH]1
C(Cc1cn(Cc2ccccc2)nn1)Cc1cnc[nH]1
C(Cc1cn(nn1)C1CCCCCC1)Cc1cnc[nH]1
C(Cc1cnc[nH]1)C1CCNCC1
C(Cc1cnc[nH]1)Cn1cc(CC2CCCC2)nn1
C(Cc1cnc[nH]1)Cn1cc(CC2CCCCC2)nn1
C(Cc1cnc[nH]1)Cn1cc(CC2CCCCCC2)nn1
C(Cc1cnc[nH]1)Cn1cc(CCC2CCCCC2)nn1
C(Cc1cnc[nH]1)Cn1cc(CN2CCCCC2)nn1
C(Cc1cnc[nH]1)Cn1cc(Cc2ccccc2)nn1
C(Cc1cnc[nH]1)Cn1cc(nn1)C1CCCCC1
C(Cc1cnc[nH]1)NCc1ccccc1
C(Cc1cnc[nH]1)c1cn(CC2CCCCC2)nn1
C(Cn1cc(CC2CCCC2)nn1)c1cnc[nH]1
C(Cn1cc(CC2CCCCC2)nn1)c1cnc[nH]1
C(Cn1cc(Cc2ccccc2)nn1)c1cnc[nH]1
C(Cn1ccc2c(ncnc12)N1CCC(CC1)N1CCCCC1)N1CCOCC1
C(Cn1ccc2c(ncnc12)N1CCC(CC1)N1CCOCC1)N1CCOCC1
C(Cn1ccnc1)Cn1cc(CC2CCCCC2)nn1
C(N1CCCCC1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
C(NCC1CCCCC1)[C@@H]1C[C@@H]1c1cnc[nH]1
C(NCC1CCCCC1)[C@@H]1C[C@H]1c1cnc[nH]1
C(NCC1CCCCC1)[C@H]1C[C@@H]1c1cnc[nH]1
C(NCC1CCCCC1)[C@H]1C[C@H]1c1cnc[nH]1
C(Nc1cc(ccn1)N1CCNCC1)C1CC1
C(Nc1nccc(n1)N1CCNCC1)C1CC1
C(OCc1ccccc1)[C@@H]1CC[C@@H](O1)c1c[nH]cn1
C(OCc1ccccc1)[C@@H]1CC[C@H](O1)c1c[nH]cn1
C(OCc1ccccc1)[C@H]1CC[C@@H](O1)c1c[nH]cn1
C(OCc1ccccc1)[C@H]1CC[C@H](O1)c1c[nH]cn1 |r|
C([C@@H]1C[C@H]1c1c[nH]cn1)c1nc2ccccc2[nH]1 |r|
C(\C=C\c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
C(c1cnc[nH]1)c1cccnc1
C(c1cnc[nH]1)c1ccncc1
C1CC(=CCN1)c1c[nH]cn1 |c:2|
C1CC(CCN1)=Cc1c[nH]cn1 |(1.48,1.21,;-.04,1.44,;-.6,2.89,;.37,4.08,;1.9,3.85,;2.46,2.41,;-2.12,3.13,;-3.09,1.91,;-4.62,1.98,;-5.16,.53,;-3.97,-.4,;-2.68,.46,)|
C1CC(CCN1)c1c[nH]cn1
C1CC2CC1CC2Nc1nccc(n1)N1CCNCC1 |TLB:7:6:1.0:3|
C=C(C1CCNCC1)c1c[nH]cn1
C=CCCCNC(=O)OCCCc1c[nH]cn1
C=CCCCNC(=O)OCCCc1cnc[nH]1
C=CCCNC(=O)OCCCc1c[nH]cn1
C=CCCNC(=O)OCCCc1cnc[nH]1
C=CCN1CCN(CC2Cc3cc(ccc3O2)-c2ccccc2)CC1
C=CCN1CCN(CC2Cc3ccccc3O2)CC1
CC(=N)SCCNC(N)=N
CC(=O)NC(N)=NCCCc1cnc[nH]1 |w:6.6|
CC(=O)SCC(Cc1ccc2OCOc2c1)C(=O)NCC(=O)OCc1ccccc1
CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
CC(C)(C)C#Cc1cccc(Cc2cnc[nH]2)c1
CC(C)(C)CC(=O)c1cccc(Cc2cnc[nH]2)c1
CC(C)(C)CCC#C[C@@H]1C[C@H]1c1cnc[nH]1
CC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1
CC(C)(C)CCNc1cc(N[C@@H]2CCNC2)ncn1 |r|
CC(C)(C)CCNc1cc(N[C@H]2CCN(Cc3cccc(F)c3O)C2)ncn1 |r|
CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r|
CC(C)(C)CCNc1cc(ncn1)N1CCN(CC1)C1CCCCC1
CC(C)(C)CCNc1cc(ncn1)N1CCNCC1
CC(C)(C)CNc1nccc(n1)N1CCNCC1
CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1
CC(C)(C)N=C(NC1CCCC1)SCCCc1cnc[nH]1 |w:4.3|
CC(C)(C)c1cc(nc(N)n1)N1CC[C@@H](N)C1 |r|
CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
CC(C)(C)c1ccc(cc1)[C@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
CC(C)(C)c1ccc2OC(CN3CCN(CC3)c3ccccc3)Cc2c1
CC(C)(C)c1ccc2OC(CN3CCN(CC=C)CC3)Cc2c1
CC(C)(C)c1cn(CCCc2cnc[nH]2)nn1
CC(C)(CN=C(c1ccccc1O)c1ccccc1O)c1c[nH]cn1 |(6.49,-2.55,;7.27,-3.89,;8.04,-2.55,;8.61,-4.66,;8.62,-6.2,;9.95,-6.97,;9.96,-8.51,;11.29,-9.27,;11.3,-10.82,;9.96,-11.59,;8.63,-10.82,;8.63,-9.28,;7.3,-8.51,;11.29,-6.19,;11.27,-4.66,;12.6,-3.88,;13.94,-4.65,;13.95,-6.19,;12.62,-6.96,;12.62,-8.5,;5.95,-4.67,;4.54,-4.04,;3.51,-5.19,;4.28,-6.52,;5.79,-6.2,)|
CC(C)C(=O)NC(N)=NCCCc1cnc[nH]1 |w:8.8|
CC(C)C(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1
CC(C)C(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1
CC(C)CCc1cc(NCCNc2cc(Cl)nc(N)n2)nc(N)n1
CC(C)CCc1cc(NCCNc2cc(nc(N)n2)-c2ccccc2)nc(N)n1
CC(C)CCc1cc(NCCNc2ccnc(N)n2)nc(N)n1
CC(C)CCc1cc(nc(N)n1)N(C)CCNc1ccnc(N)n1
CC(C)CCc1cc(nc(N)n1)N1CCN(C)CC1
CC(C)CNC(NC#N)=NCCCCc1cnc[nH]1 |w:9.9|
CC(C)CN\C(NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1)=N\C#N |r|
CC(C)CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N\C#N |r|
CC(C)CNc1cc(NCCNc2cc(nc(N)n2)-c2ccccc2)nc(N)n1
CC(C)CNc1cc(NCCNc2cc(nc(N)n2)-c2ccccc2)ncn1
CC(C)CNc1cc(NCCNc2ccnc(N)n2)nc(N)n1
CC(C)CNc1cc(NCCNc2ccnc(N)n2)ncn1
CC(C)CNc1cc(cc(N)n1)N1CCN(C)CC1
CC(C)CNc1cc(ccn1)N1CCN(C)CC1
CC(C)CNc1cc(ccn1)N1CCNCC1
CC(C)CNc1cc(ccn1)N1CC[C@@H](N)C1 |r|
CC(C)CNc1cc(cnn1)N1CCN(C)CC1
CC(C)CNc1cc(nc(N)n1)N(C)CCNc1ccnc(N)n1
CC(C)CNc1cc(nc(N)n1)N1CCN(C)CC1
CC(C)CNc1nc(N)cc(n1)N1CCN(C)CC1
CC(C)CNc1nc(NCCNc2ccnc(N)n2)cc(n1)-c1ccccc1
CC(C)CNc1nccc(NCCN(C)c2cc(nc(N)n2)-c2cccc(Cl)c2)n1
CC(C)CNc1nccc(NCCN(C)c2cc(nc(N)n2)-c2ccccc2)n1
CC(C)CNc1nccc(NCCNc2cc(nc(N)n2)-c2cccc(Cl)c2)n1
CC(C)CNc1nccc(NCCNc2cc(nc(N)n2)-c2ccccc2)n1
CC(C)CNc1nccc(NCCNc2ccnc(N)n2)n1
CC(C)CNc1nccc(n1)N1CC(N)C1
CC(C)CNc1nccc(n1)N1CCN(C)CC1
CC(C)CNc1nccc(n1)N1CCNCC1
CC(C)COc1nc2ccccc2nc1N1CCN(C)CC1
CC(C)Cc1cc(OC(F)(F)F)ccc1N(Cc1cocn1)c1ccnc(N)n1
CC(C)Cc1cc(ccc1N(Cc1cocn1)c1ccnc(N)n1)S(=O)(=O)C(F)(F)F
CC(C)Cc1nc(N)nc(n1)N1CCN(C)CC1
CC(C)N(C)c1cc(cc(N)n1)N1CCN(C)CC1
CC(C)N(C)c1cc(nc(N)n1)N1CCN(C)CC1
CC(C)N(C)c1nc(N)cc(n1)N1CCN(C)CC1
CC(C)N(c1ccnc(N)n1)c1ccc(Br)cc1C
CC(C)N(c1ccnc(N)n1)c1ccc(Br)cc1C(F)(F)F
CC(C)N(c1ccnc(N)n1)c1ccc(Br)cc1OC(F)(F)F
CC(C)N(c1ccnc(N)n1)c1ccc(Br)cc1OCC(F)(F)F
CC(C)N(c1ccnc(N)n1)c1ccc(F)cc1C(C)=C
CC(C)N(c1ccnc(N)n1)c1ccc(F)cc1C(C)C
CC(C)N(c1ccnc(N)n1)c1ccc(F)cc1OC(F)(F)F
CC(C)N(c1ccnc(N)n1)c1ccc(OC(F)(F)F)cc1C
CC(C)N(c1ccnc(N)n1)c1ccc(cc1C(F)(F)F)S(=O)(=O)C(C)C
CC(C)N(c1ccnc(N)n1)c1ccc(cc1C(F)(F)F)S(C)(=O)=O
CC(C)N(c1ccnc(N)n1)c1ccc(cc1C)C(F)(F)F
CC(C)N(c1ccnc(N)n1)c1ccc(cc1C)S(F)(F)(F)(F)F
CC(C)N(c1ccnc(N)n1)c1ccc(cc1C1CCC1)C(N)=O
CC(C)N(c1ccnc(N)n1)c1ccc(cc1C1CCC1)S(=O)(=O)C(C)C
CC(C)N(c1ccnc(N)n1)c1ccc(cc1C1CCC1)S(=O)(=O)C(F)(F)F
CC(C)N(c1ccnc(N)n1)c1ccc(cc1C1CCC1)S(=O)(=O)N1CCCC1
CC(C)N(c1ccnc(N)n1)c1ccc(cc1C1CCC1)S(C)(=O)=O
CC(C)N(c1ccnc(N)n1)c1ccc(cc1OC(F)(F)F)C#N
CC(C)N1CCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccc(F)cc1
CC(C)N1C[C@H]2CN(C[C@H]2C1)C(=O)c1nc2ccc(Cl)cc2[nH]1 |r|
CC(C)NC(=S)NCCCCCc1cnc[nH]1
CC(C)NC(=S)NCCCCc1cnc[nH]1
CC(C)NC(NC#N)=NCCCCc1cnc[nH]1 |w:8.8|
CC(C)NC=Nc1ccc(cc1)-c1c[nH]cn1 |w:5.5|
CC(C)Nc1cc(cc(N)n1)N1CCN(C)CC1
CC(C)Nc1cc(nc(N)n1)N1CCN(C)CC1
CC(C)Nc1nc(N)cc(n1)N1CCN(C)CC1
CC(C)Nc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
CC(C)Nc1nccc(n1)N1CC(N)C1
CC(C)Nc1nccc(n1)N1CCN(C)CC1
CC(C)Oc1cc(Br)ccc1N(C(C)C)c1ccnc(N)n1
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1)C(N)=O |r,c:73,75,t:70|
CC(C)\N=C(/S)NCCCCc1c[nH]cn1
CC(C)c1cc(nc(N)n1)N1CC[C@@H](N)C1 |r|
CC(C)c1ccc(CNc2cc(nc(N)n2)N2CCN(C)CC2)cc1
CC(C)c1ccc(cc1)C(C)CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CC(C)c1nc(N)nc(n1)N1CCN(C)CC1
CC(C1CCCCC1)c1cn(CCCc2cnc[nH]2)nn1
CC(C1CCCCC1)c1cn(CCc2cnc[nH]2)nn1
CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:8.8|
CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1cccs1 |w:8.8|
CC(CCCc1ccccc1)CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CC(CCNC(NC#N)=NCCCCc1cnc[nH]1)c1ccccc1 |w:9.9|
CC(CCc1ccccc1)CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CC(CN)c1cnc[nH]1
CC(CN1c2ccccc2Sc2ccccc12)N(C)C
CC(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)C1CCCCC1
CC(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)CC1CCCCC1
CC(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)Cc1ccc(C)cc1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccc(Br)cc1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccc(C)cc1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccc(Cl)cc1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccc(F)cc1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccc(OC(F)(F)F)cc1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccc(F)c1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1F
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccco1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccs1
CC1(C)COC(=N1)c1ccc(Cc2cnc[nH]2)cc1 |c:5|
CC1=CC(C)=[N+]2C1=C(c1c(C)cc(C)n1[B-]2(F)F)c1ccc(OCCCN2CCCCC2)cc1 |c:4,t:1,7|
CC1CC(C)(C)N=C(O1)c1cccc(Cc2cnc[nH]2)c1 |c:6|
CC1CC(C)CN(Cc2ccc(cc2)-c2ccc(CN3CC(C)CC(C)C3)cc2)C1
CC1CCCCN1S(=O)(=O)CCNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
CC1CCCN(Cc2ccc(COc3ccc(cc3)C(C)=O)cc2)C1
CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
CC1CN(CC(C)N1C)c1ncnc2c1oc1ccc(Cl)cc21
CC1CN(CCN1)C(=O)c1cc2ccccc2[nH]1
CC1CN(CCN1C)c1ncnc2c1oc1ccc(Cl)cc21
CC=CCNC(=O)OCCCc1cnc[nH]1 |w:1.0|
CCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:7.7|
CCC(C)CCNC(=O)OCCCc1c[nH]cn1
CCC(C)CCNC(=O)OCCCc1cnc[nH]1
CCC(C)c1nc(N)nc(n1)N1CCN(C)CC1
CCC(CC)c1nc(N)nc(n1)N1CCN(C)CC1
CCC(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1
CCC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1
CCCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:8.8|
CCCC(C)CNC(=O)OCCCc1cnc[nH]1
CCCCC(C)NC(=O)OCCCc1cnc[nH]1
CCCCC(CC)CNC(=O)OCCCc1cnc[nH]1
CCCCCCCc1cn(CCCc2cnc[nH]2)nn1
CCCCCCNC(=O)\N=C(/N)NC1CCc2nc(N)sc2C1
CCCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CCCCCCNC(=O)\N=C(/N)Nc1cccc(c1)-c1csc(N)n1
CCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CCCCCNCc1ccc(cc1)-c1ccc(CNCCCCC)cc1
CCCCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
CCCCC[C@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
CCCCCc1cn(CCCc2cnc[nH]2)nn1
CCCCN=C(NC1CCCC1)SCCCc1cnc[nH]1 |w:4.3|
CCCCN=C(NCc1ccc(Cl)c(Cl)c1)SCCCc1cnc[nH]1 |w:4.3|
CCCCN=C(NCc1ccc(Cl)cc1)SCCCc1cnc[nH]1 |w:4.3|
CCCCNc1cc(ccn1)N1CCN(C)CC1
CCCCNc1cc(ccn1)N1CCNCC1
CCCCNc1cc(ccn1)N1CC[C@@H](C1)NC |r|
CCCCNc1cc(ccn1)N1CC[C@H](C1)NC |r|
CCCCNc1cc(cnn1)N1CC[C@H](C1)NC |r|
CCCCNc1nccc(n1)N1CCN(C)CC1
CCCCNc1nccc(n1)N1CC[C@H](C1)NC |r|
CCCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
CCCCc1cc(nc(N)n1)N1CC[C@H](C1)NC |r|
CCCCn1ccc2c(nc(N)nc12)N1CCNCC1
CCCN(C)S(=O)(=O)c1ccc(N(CCC)c2ccnc(N)n2)c(c1)C1CCC1
CCCN(c1ccnc(N)n1)c1ccc(cc1C1CC1)S(C)(=O)=O
CCCN(c1ccnc(N)n1)c1ccc(cc1C1CCC1)S(=O)(=O)C1CC1
CCCN(c1ccnc(N)n1)c1ccc(cc1C1CCC1)S(C)(=O)=O
CCCN(c1ccnc(N)n1)c1ccc(cc1CC(C)C)S(C)(=O)=O
CCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CCCNC(=O)\N=C(/N)Nc1cccc(c1)-c1csc(N)n1
CCCNC(=S)NCCCCc1cnc[nH]1
CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
CCCN[C@H]1CCc2nc(N)sc2C1 |r|
CCC\C=C\CNC(=O)OCCCc1c[nH]cn1
CCC\C=C\CNC(=O)OCCCc1cnc[nH]1
CCC\N=C(/S)NCCCCc1c[nH]cn1
CCCc1cc(F)ccc1N(C(C)C)c1ccnc(N)n1
CCCc1cc(OC(F)(F)F)ccc1N(Cc1cocn1)c1ccnc(N)n1
CCCc1cc(ccc1N(C(C)C)c1ccnc(N)n1)C#N
CCCc1cc(ccc1N(C(C)C)c1ccnc(N)n1)C(F)(F)F
CCCc1cc(ccc1N(CC)c1ccnc(N)n1)S(C)(=O)=O
CCCc1cc(ccc1N(Cc1cocn1)c1ccnc(N)n1)C#N
CCCc1nc(N)nc(n1)N1CCN(C)CC1
CCN(C)S(=O)(=O)c1ccc(N(CC)c2ccnc(N)n2)c(c1)C1CCC1
CCN(CC)S(=O)(=O)CCNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
CCN(c1ccnc(N)n1)c1ccc(cc1C(C)=C)S(C)(=O)=O
CCN(c1ccnc(N)n1)c1ccc(cc1C(C)C)S(C)(=O)=O
CCN(c1ccnc(N)n1)c1ccc(cc1C)S(F)(F)(F)(F)F
CCN(c1ccnc(N)n1)c1ccc(cc1C1CC1)S(=O)(=O)CC
CCN(c1ccnc(N)n1)c1ccc(cc1C1CC1)S(C)(=O)=O
CCN(c1ccnc(N)n1)c1ccc(cc1C1CCC1)C(N)=O
CCN(c1ccnc(N)n1)c1ccc(cc1C1CCC1)S(=O)(=O)C(F)(F)F
CCN(c1ccnc(N)n1)c1ccc(cc1C1CCC1)S(=O)(=O)C1CC1
CCN(c1ccnc(N)n1)c1ccc(cc1C1CCC1)S(=O)(=O)CC
CCN(c1ccnc(N)n1)c1ccc(cc1C1CCC1)S(C)(=O)=O
CCN(c1ccnc(N)n1)c1ccc(cc1CC(C)C)C(N)=O
CCN(c1ccnc(N)n1)c1ccc(cc1CC(C)C)S(C)(=O)=O
CCN(c1ccnc(N)n1)c1ccc(cc1CC)S(=O)(=O)C(F)(F)F
CCN(c1ccnc(N)n1)c1ccc(cc1CC)S(=O)(=O)C(F)F
CCN(c1ccnc(N)n1)c1ccc(cc1CC)S(C)(=O)=O
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
CCN1CCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccc(F)cc1
CCN1CCN(CC1)c1nc2ccccc2nc1Cc1ccccc1
CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1nc2ccc(Cl)cc2[nH]1 |r|
CCNC(=S)NCCCCCc1cnc[nH]1
CCNC(=S)NCCCCc1cnc[nH]1
CCNC(NC#N)=NCCCCc1cnc[nH]1 |w:7.7|
CCNC1CCN(C1)c1ncnc2c3cc(Cl)ccc3oc12
CCN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)ccc3oc12 |r|
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCCCN2CCCCC2)cc1)C(=O)OCC |c:5,10|
CCOC(=O)CNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
CCOC(=O)c1ccc(Nc2cc(O)c(N=[NH+]C(N)=N)c3ccccc23)cc1 |w:15.14|
CCOc1cc(F)ccc1N(C(C)C)c1ccnc(N)n1
CCOc1cc(F)ccc1N(Cc1cc[nH]n1)c1ccnc(N)n1
CCOc1cc(F)ccc1N(Cc1ccccc1)c1ccnc(N)n1
CCOc1cc(F)ccc1N(Cc1ccno1)c1ccnc(N)n1
CCOc1cc(F)ccc1N(Cc1ccon1)c1ccnc(N)n1
CCOc1cc(F)ccc1N(Cc1cn2ccccc2n1)c1ccnc(N)n1
CCOc1cc(F)ccc1N(Cc1cn[nH]n1)c1ccnc(N)n1
CCOc1cc(F)ccc1N(Cc1cnco1)c1ccnc(N)n1
CCOc1cc(F)ccc1N(Cc1cncs1)c1ccnc(N)n1
CCOc1cc(F)ccc1N(Cc1cnoc1)c1ccnc(N)n1
CCOc1cc(F)ccc1N(Cc1coc(C)n1)c1ccnc(N)n1
CCOc1cc(F)ccc1N(Cc1cocn1)c1ccnc(N)n1
CCOc1cc(F)ccc1N(Cc1cscn1)c1ccnc(N)n1
CCOc1cc(F)ccc1N(Cc1n[nH]cc1Cl)c1ccnc(N)n1
CCOc1cc(F)ccc1N(Cc1ncco1)c1ccnc(N)n1
CCOc1cc(F)ccc1N(Cc1nnc[nH]1)c1ccnc(N)n1
CCOc1cc(F)ccc1N(Cc1nnco1)c1ccnc(N)n1
CCOc1nc2ccccc2nc1N1CCN(C)CC1
CCOc1nc2nc(N3CCN(C)CC3)c3nncn3c2cc1Cl
CCOc1nc2nc(N3CCNCC3)c3nncn3c2cc1Cl
CCS(=O)(=O)c1ccc(N(C(C)C)c2ccnc(N)n2)c(OC(F)(F)F)c1
CCS(=O)(=O)c1ccc(N(Cc2cocn2)c2ccnc(N)n2)c(C)c1
CC[C@@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
CC[C@H](C)CNC(=O)OCCCc1cnc[nH]1 |r|
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
CC\C=C\CCNC(=O)OCCCc1c[nH]cn1
CC\C=C\CCNC(=O)OCCCc1cnc[nH]1
CC\N=C(/S)NCCCCCc1c[nH]cn1
CC\N=C(/S)NCCCCc1c[nH]cn1
CCc1cc(OC(F)(F)F)ccc1N(Cc1cocn1)c1ccnc(N)n1
CCc1cc(ccc1N(C(C)C)c1ccnc(N)n1)S(=O)(=O)C(F)(F)F
CCc1cc(ccc1N(C(C)C)c1ccnc(N)n1)S(C)(=O)=O
CCc1cc(ccc1N(CCOC)c1ccnc(N)n1)S(=O)(=O)C(F)(F)F
CCc1cc(ccc1N(CCOC)c1ccnc(N)n1)S(C)(=O)=O
CCc1cc(ccc1N(Cc1c(C)noc1C)c1ccnc(N)n1)S(=O)(=O)C(F)(F)F
CCc1cc(ccc1N(Cc1cccc(n1)C(F)(F)F)c1ccnc(N)n1)S(=O)(=O)C(F)(F)F
CCc1cc(ccc1N(Cc1cccc(n1)C(F)(F)F)c1ccnc(N)n1)S(C)(=O)=O
CCc1cc(ccc1N(Cc1ccn[nH]1)c1ccnc(N)n1)S(F)(F)(F)(F)F
CCc1cc(ccc1N(Cc1ccncc1F)c1ccnc(N)n1)S(=O)(=O)C(F)(F)F
CCc1cc(ccc1N(Cc1ccncn1)c1ccnc(N)n1)S(=O)(=O)C(F)(F)F
CCc1cc(ccc1N(Cc1ccncn1)c1ccnc(N)n1)S(C)(=O)=O
CCc1cc(ccc1N(Cc1cocn1)c1ccnc(N)n1)C(F)(F)F
CCc1cc(ccc1N(Cc1cocn1)c1ccnc(N)n1)C(O)(C(F)(F)F)C(F)(F)F
CCc1cc(ccc1N(Cc1cocn1)c1ccnc(N)n1)S(=O)(=O)C(F)(F)F
CCc1cc(ccc1N(Cc1cocn1)c1ccnc(N)n1)S(=O)(=O)C(F)F
CCc1cc(ccc1N(Cc1cocn1)c1ccnc(N)n1)S(C)(=O)=O
CCc1cc(ccc1N(Cc1cocn1)c1ccnc(N)n1)S(F)(F)(F)(F)F
CCc1cc(ccc1N(Cc1ncccn1)c1ccnc(N)n1)S(=O)(=O)C(F)(F)F
CCc1cc(ccc1N(Cc1ncco1)c1ccnc(N)n1)S(=O)(=O)C(F)(F)F
CCc1cc(ccc1N(Cc1nnco1)c1ccnc(N)n1)S(F)(F)(F)(F)F
CCc1cc(nc(N)n1)N1CC[C@@H](N)C1 |r|
CCc1cc(nc(N)n1)N1CC[C@H](C1)NC |r|
CCc1cc(ncn1)N1CC[C@H](C1)NC |r|
CCc1cc2c(ncnc2s1)N1CCN(C)CC1
CCc1cnc2c(nc(N)nc2c1)N1CC(C1)NC
CCc1cnc2c(nc(N)nc2c1)N1CC[C@H](C1)NC |r|
CCc1nc(N)nc(n1)N1CCN(C)CC1
CCn1c2nocc2c(=O)[nH]c1=O
CN(C(=O)CCNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1)c1ccccc1
CN(C)C1CCCN(CCCOc2ccc(-c3nc4ccc(F)c(C)c4[nH]3)c(C)c2)C1
CN(C)C1CCN(C1)c1ncnc2c3cc(Cl)ccc3oc12
CN(C)C1CCN(C1)c1ncnc2c3ccccc3sc12
CN(C)C1CCN(CC1)c1ncnc2c3ccccc3sc12
CN(C)C1CCN(CCCOc2ccc(-c3nc4ccc(F)c(C)c4[nH]3)c(C)c2)C1
CN(C)C1CCN(CCCOc2ccc(cc2Cl)-c2nc3ccc(cc3[nH]2)C(C)(C)C)C1
CN(C)C1CN(C1)c1nc2ncc(Cl)cc2n2cnnc12
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
CN(C)CCC(c1ccccc1)c1ccccn1
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
CN(C)CCCOc1nc2ccccc2nc1N1CCN(C)CC1
CN(C)CCCSC(N)=N
CN(C)CCN(C)CCCOc1ccc(cc1Cl)-c1nc2ccc(cc2[nH]1)C(C)(C)C
CN(C)CCNc1cc(NCC2CC2)ncn1
CN(C)CCOC(c1ccccc1)c1ccccc1
CN(C)CC\C=C1\c2ccccc2COc2ccccc12
CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
CN(C)S(=O)(=O)CCNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
CN(C)[C@@H]1CCN(C1)c1cc(NCC(C)(C)C)ncn1 |r|
CN(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
CN(C)[C@@H]1CCN(C1)c1nc2ncc(Cl)cc2n2cnnc12 |r|
CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r|
CN(C)c1ccc(cc1)-c1nc(N)nc(n1)N1CCN(C)CC1
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCOCCOCCOCCNC(=O)C3CCN(Cc4ccc(OCCCN5CCCCC5)cc4)CC3)c3ccc(cc3oc2c1)=[N+](C)C |(50.94,-7.72,;49.61,-6.94,;49.62,-5.4,;48.28,-7.7,;46.93,-6.92,;45.6,-7.69,;45.59,-9.23,;44.26,-9.99,;42.94,-9.22,;41.6,-9.98,;40.27,-9.21,;40.28,-7.67,;41.61,-6.9,;42.94,-7.67,;44.27,-6.9,;45.75,-6.49,;44.27,-5.36,;38.95,-6.89,;38.95,-5.35,;37.61,-7.66,;36.28,-6.88,;34.94,-7.65,;33.61,-6.87,;32.28,-7.64,;30.95,-6.86,;29.61,-7.63,;28.28,-6.85,;26.94,-7.62,;25.61,-6.84,;24.27,-7.61,;22.94,-6.83,;21.61,-7.6,;20.28,-6.82,;20.28,-5.28,;18.94,-7.59,;18.93,-9.13,;17.6,-9.89,;16.28,-9.11,;14.94,-9.88,;13.61,-9.11,;12.28,-9.88,;10.94,-9.11,;10.95,-7.57,;9.62,-6.8,;8.28,-7.57,;6.95,-6.79,;5.61,-7.56,;4.28,-6.79,;2.95,-7.55,;1.63,-6.79,;1.63,-5.25,;2.95,-4.47,;4.28,-5.25,;12.28,-6.8,;13.6,-7.57,;16.26,-7.58,;17.6,-6.81,;44.26,-11.53,;42.94,-12.29,;42.93,-13.82,;44.25,-14.58,;45.57,-13.83,;45.58,-12.31,;46.92,-11.55,;46.93,-10,;48.27,-9.25,;44.25,-16.12,;42.92,-16.9,;45.58,-16.9,)|
CN(C)c1cccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)c1
CN(C)c1nc(N2CCN(C)CC2)c2cc([nH]c2n1)-c1ccc(F)cc1
CN(C)c1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1nccc(=O)[nH]1
CN(CCC(=O)NC(N)=NCCCc1cnc[nH]1)C(=O)c1cc2ccccc2[nH]1 |w:9.9|
CN(CCCOc1ccc(cc1Cl)-c1nc2ccc(cc2[nH]1)C(C)(C)C)C1CCN(C)C1
CN(CCN1CCCCC1)C(=O)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:15.19,wD:12.12,(3.45,4.02,;2.11,3.26,;2.11,1.72,;3.44,.94,;3.44,-.6,;2.1,-1.35,;2.09,-2.88,;3.42,-3.67,;4.76,-2.9,;4.77,-1.36,;.78,4.03,;.79,5.57,;-.55,3.27,;-1.88,4.04,;-3.21,3.27,;-3.21,1.73,;-1.88,.96,;-.55,1.73,;-3.14,.18,;-4.58,-.37,;-4.98,-1.85,;-5.55,.84,;-7.09,.92,;-7.79,2.29,;-6.94,3.6,;-5.4,3.51,;-4.7,2.13,)|
CN(CCNc1cc(nc(N)n1)-c1ccccc1)c1ccnc(N)n1
CN(CCNc1ccnc(N)n1)C(=O)c1cc2cc(Cl)ccc2[nH]1
CN(CCNc1ccnc(N)n1)C(=O)c1cc2ccccc2[nH]1
CN(CCNc1ccnc(N)n1)c1cc(nc(N)n1)-c1ccccc1
CN(Cc1ccc(cc1)-c1ccc(CN(C)C2CCCCC2)cc1)C1CCCCC1
CN(c1ccccc1)S(=O)(=O)CCNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
CN1C2CCC1CN(C2)c1ncnc2c3cc(Cl)ccc3oc12
CN1C2CN(CCCOc3ccc(-c4nc5ccc(F)c(C)c5[nH]4)c(C)c3)CC12
CN1CC2C(C1)N2CCCOc1ccc(-c2nc3ccc(F)c(C)c3[nH]2)c(C)c1
CN1CC2CCC1CN2c1ncnc2c1oc1ccc(Cl)cc21
CN1CC2CN(CC2C1)c1nc(C)ccc1C#N
CN1CC2CN(CCCOc3ccc(-c4nc5ccc(F)c(C)c5[nH]4)c(C)c3)CC12
CN1CCC(CC1)=Cc1nc2ccc(Cl)cc2[nH]1 |(32.19,-17.45,;31.42,-18.78,;32.19,-20.12,;31.43,-21.45,;29.89,-21.45,;29.11,-20.13,;29.88,-18.79,;29.13,-22.78,;27.59,-22.79,;26.69,-24.05,;25.22,-23.58,;23.88,-24.36,;22.54,-23.59,;22.55,-22.04,;21.21,-21.27,;23.87,-21.27,;25.21,-22.04,;26.67,-21.55,)|
CN1CCC(CC1)C(=N\O)\c1cc2cc(C)ccc2[nH]1
CN1CCC(CC1)C(=N\O)\c1cc2ccccc2[nH]1
CN1CCC(CC1)C(=N\O)\c1nc2cc(Cl)ccc2[nH]1
CN1CCC(CCCCOc2cc(-c3nc4c(C)c(F)ccc4[nH]3)c(C)cn2)CC1
CN1CCC(Cc2c[nH]cn2)CC1
CN1CCC(Cc2cnc[nH]2)CC1
CN1CCC2CN(CCCOc3ccc(-c4nc5ccc(F)c(C)c5[nH]4)c(C)c3)CC12
CN1CCCC(CNCCCOc2ccc(-c3nc4ccc(F)c(C)c4[nH]3)c(C)c2)C1
CN1CCCC2CN(CCCOc3ccc(-c4nc5ccc(F)c(C)c5[nH]4)c(C)c3)CC12
CN1CCCCC1CNCCCOc1ccc(-c2nc3ccc(F)c(C)c3[nH]2)c(C)c1
CN1CCCN(CC1)C(=O)c1cc2c(F)c(Cl)ccc2[nH]1
CN1CCCN(CC1)C(=O)c1cc2c(F)cccc2[nH]1
CN1CCCN(CC1)C(=O)c1cc2cc(Cl)cc(F)c2[nH]1
CN1CCCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
CN1CCCN(CC1)C(=O)c1cc2cccc(C)c2[nH]1
CN1CCCN(CC1)C(=O)c1cc2cccc(F)c2[nH]1
CN1CCCN(CC1)C(=O)c1cc2cccc(c2[nH]1)C(F)(F)F
CN1CCCN(CC1)C(=O)c1cc2ccccc2[nH]1
CN1CCCN(CC1)c1cc(NCC(C)(C)C)ncn1
CN1CCCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccc(F)cc1
CN1CCCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccccc1
CN1CCCN(CC1)c1nc(N)nc2[nH]ccc12
CN1CCCN(CC1)c1nc(N)nc2c3cc(Cl)cnc3oc12
CN1CCCN(CC1)c1nc2cc(Cl)ccc2[nH]c1=O
CN1CCCN(CC1)c1nc2ncc(Cl)cc2n2cnnc12
CN1CCCN(CC1)c1ncnc2c(C)csc12
CN1CCCN(CCCOc2ccc(-c3nc4c(C)cc(C)cc4[nH]3)c(Cl)c2)CC1
CN1CCCN(CCCOc2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(Cl)c2)CC1
CN1CCCN(CCCOc2ccc(cc2Cl)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1
CN1CCN(CC1)C(=N/O)\c1cc2cc(Cl)ccc2[nH]1
CN1CCN(CC1)C(=O)Nc1ccc(Cl)cc1
CN1CCN(CC1)C(=O)c1cc2CCCCc2[nH]1
CN1CCN(CC1)C(=O)c1cc2c(Br)cccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2c(C)c(F)ccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2c(Cl)cccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2c(F)c(Cl)ccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2c(F)ccc(C)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2c(F)ccc(F)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2c(F)cccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2c(N)cccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2c(O)cccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2c(cccc2[nH]1)C(C)=O
CN1CCN(CC1)C(=O)c1cc2c(cccc2[nH]1)[N+]([O-])=O
CN1CCN(CC1)C(=O)c1cc2cc(Br)ccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2cc(C)cc(C)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2cc(C)cc(Cl)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2cc(C)ccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc(C)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc(Cl)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc(F)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc(N)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc([N+]([O-])=O)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2o1
CN1CCN(CC1)C(=O)c1cc2cc(Cl)sc2[nH]1
CN1CCN(CC1)C(=O)c1cc2cc(F)cc(F)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2cc(F)ccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2cc(N)ccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2cc(O)ccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
CN1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(F)(F)F
CN1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)[N+]([O-])=O
CN1CCN(CC1)C(=O)c1cc2ccc(Br)cc2[nH]1
CN1CCN(CC1)C(=O)c1cc2ccc(Cl)cc2[nH]1
CN1CCN(CC1)C(=O)c1cc2ccc(N)cc2[nH]1
CN1CCN(CC1)C(=O)c1cc2ccc(O)cc2[nH]1
CN1CCN(CC1)C(=O)c1cc2ccc(cc2[nH]1)[N+]([O-])=O
CN1CCN(CC1)C(=O)c1cc2cccc(Br)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2cccc(C)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2cccc(Cl)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2cccc(F)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2cccc(N)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2cccc([N+]([O-])=O)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2cccc(c2[nH]1)C(F)(F)F
CN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2ccccc2n1C
CN1CCN(CC1)C(=O)c1cc2ccccc2o1
CN1CCN(CC1)C(=O)c1cc2ccccc2s1
CN1CCN(CC1)C(=O)c1cc2cccnc2[nH]1
CN1CCN(CC1)C(=O)c1cc2ccncc2[nH]1
CN1CCN(CC1)C(=O)c1cc2ccsc2[nH]1
CN1CCN(CC1)C(=O)c1cc2cnccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2ncccc2[nH]1
CN1CCN(CC1)C(=O)c1cc2sc(Cl)c(C)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2sc(Cl)cc2[nH]1
CN1CCN(CC1)C(=O)c1cc2scc(C)c2[nH]1
CN1CCN(CC1)C(=O)c1cc2sccc2[nH]1
CN1CCN(CC1)C(=O)c1ccc(Cl)cc1
CN1CCN(CC1)C(=O)c1cccc(Cl)c1
CN1CCN(CC1)C(=O)c1ccccc1Cl
CN1CCN(CC1)C(=O)c1cn2cc(Cl)ccc2n1
CN1CCN(CC1)C(=O)c1cn2ccncc2n1
CN1CCN(CC1)C(=O)c1nc2CCCCc2[nH]1
CN1CCN(CC1)C(=O)c1nc2c(C)cccc2[nH]1
CN1CCN(CC1)C(=O)c1nc2cc(C)cc(Cl)c2[nH]1
CN1CCN(CC1)C(=O)c1nc2cc(Cl)cc(Cl)c2[nH]1
CN1CCN(CC1)C(=O)c1nc2ccc(C)cc2[nH]1
CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1
CN1CCN(CC1)C(=O)c1nc2ccc(F)c(C)c2[nH]1
CN1CCN(CC1)C(=O)c1nc2ccc(F)c(F)c2[nH]1
CN1CCN(CC1)C(=O)c1nc2ccc(F)cc2[nH]1
CN1CCN(CC1)C(=O)c1nc2ccc(cc2[nH]1)C(F)(F)F
CN1CCN(CC1)C(=O)c1nc2ccccc2[nH]1
CN1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1ccccc1
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
CN1CCN(CC1)C1=Nc2ccc(Cl)cc2Oc2ccccc12 |t:8|
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
CN1CCN(CC1)C1=Nc2ncc(Cl)cc2C2OC(C)=NC12 |c:21,t:8|
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
CN1CCN(CC1)[C@@H]1C[C@@H]1CCNCc1ccc(Cl)cc1 |r|
CN1CCN(CC1)[C@@H]1C[C@@H]1CNCc1ccc(Cl)cc1 |r|
CN1CCN(CC1)c1[nH]c(=O)nc2c3cc(Cl)ccc3oc12
CN1CCN(CC1)c1cc(N)nc(N)n1
CN1CCN(CC1)c1cc(N)nc(NC2CCCC2)c1
CN1CCN(CC1)c1cc(N)nc(NC2CCCC2)n1
CN1CCN(CC1)c1cc(N)nc(NCC(C)(C)C)c1
CN1CCN(CC1)c1cc(N)nc(NCCO)n1
CN1CCN(CC1)c1cc(N)nc(NCc2ccccc2)c1
CN1CCN(CC1)c1cc(N)nc(NCc2ccccc2)n1
CN1CCN(CC1)c1cc(N)nc(c1)N1CCCC1
CN1CCN(CC1)c1cc(N)nc(n1)N1CCCC1
CN1CCN(CC1)c1cc(NC2CCCC2)nc(N)n1
CN1CCN(CC1)c1cc(NC2Cc3ccccc3C2)ncn1
CN1CCN(CC1)c1cc(NCC(C)(C)C)ncn1
CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1
CN1CCN(CC1)c1cc(NCCO)nc(N)n1
CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccc(C)cc2)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccc(Cl)c(Cl)c2)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccc(Cl)cc2)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccc(F)cc2)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccc(O)cc2)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccc(cc2)-c2ccccc2)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccc(cc2)C#N)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccc(cc2)C(C)(C)C)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccc(cc2)C(F)(F)F)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccc(cc2)C(O)=O)nc(N)n1
CN1CCN(CC1)c1cc(NCc2cccc(C)c2)nc(N)n1
CN1CCN(CC1)c1cc(NCc2cccc(Cl)c2)nc(N)n1
CN1CCN(CC1)c1cc(NCc2cccc(c2)[N+]([O-])=O)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccccc2)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccccc2)ncn1
CN1CCN(CC1)c1cc(NCc2ccccc2C)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccccc2Cl)nc(N)n1
CN1CCN(CC1)c1cc(OCc2ccccc2)nc(N)n1
CN1CCN(CC1)c1cc(SCc2ccccc2)nc(N)n1
CN1CCN(CC1)c1cc(nc(N)n1)-c1ccc(Cl)cc1
CN1CCN(CC1)c1cc(nc(N)n1)-c1ccc(cc1)C#N
CN1CCN(CC1)c1cc(nc(N)n1)-c1ccccc1
CN1CCN(CC1)c1cc(nc(N)n1)C1CCCC1
CN1CCN(CC1)c1cc(nc(N)n1)N1CCCC1
CN1CCN(CC1)c1cc(nc(N)n1)N1CCc2ccccc2C1
CN1CCN(CC1)c1cc(nc(N)n1)N1Cc2ccccc2C1
CN1CCN(CC1)c1cc(nc(NCCc2ccccc2)n1)-c1ccccc1
CN1CCN(CC1)c1cc(nc(NCc2ccccc2)n1)-c1ccccc1
CN1CCN(CC1)c1cc(ncn1)-c1ccccc1
CN1CCN(CC1)c1cc(ncn1)C(=O)NCc1cccc(c1)C(F)(F)F
CN1CCN(CC1)c1cc(ncn1)N1[C@H]2C[C@H]1CCC2 |r|
CN1CCN(CC1)c1cc2ccc(Cl)cc2n2cnnc12
CN1CCN(CC1)c1ccc2cc(Cl)ccc2n1
CN1CCN(CC1)c1ccc2ccccc2n1
CN1CCN(CC1)c1ccnc(N)n1
CN1CCN(CC1)c1ccnc(NC2CC3CCC2C3)n1
CN1CCN(CC1)c1ccnc(NC2CCCC2)c1
CN1CCN(CC1)c1ccnc(NC2CCCC2)n1
CN1CCN(CC1)c1ccnc(c1)-c1ccsc1
CN1CCN(CC1)c1ccnc(c1)N1CCCCC1
CN1CCN(CC1)c1cnc2ccccc2n1
CN1CCN(CC1)c1cnnc(NC2CC3CCC2C3)c1
CN1CCN(CC1)c1cnnc(NC2CCCC2)c1
CN1CCN(CC1)c1nc(C)nc(N)n1
CN1CCN(CC1)c1nc(C)nc2c3cc(Cl)ccc3oc12
CN1CCN(CC1)c1nc(N)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(N)c2ccccc2n1
CN1CCN(CC1)c1nc(N)nc(CC(C)(C)C)n1
CN1CCN(CC1)c1nc(N)nc(CC2CCCCC2)n1
CN1CCN(CC1)c1nc(N)nc(CCC2CCCCC2)n1
CN1CCN(CC1)c1nc(N)nc(CCCC2CCCCC2)n1
CN1CCN(CC1)c1nc(N)nc(CN2C(=O)NC(C)(C)C2=O)n1
CN1CCN(CC1)c1nc(N)nc(COc2ccc(Cl)cc2)n1
CN1CCN(CC1)c1nc(N)nc(Cc2cccc3ccccc23)n1
CN1CCN(CC1)c1nc(N)nc(Cc2ccccc2)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2c[nH]c3ccccc23)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccc(C)cc2)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccc(Cl)c(Cl)c2)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccc(Cl)cc2)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccc(Cl)cc2Cl)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccc3ccccc3c2)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(Br)c2)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(C)c2)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(Cl)c2)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(F)c2)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(c2)C#N)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(c2)C(F)(F)F)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(c2)[N+]([O-])=O)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc3ccccc23)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccccc2)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccccc2C)n1
CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccccc2Cl)n1
CN1CCN(CC1)c1nc(N)nc(n1)-c1c(F)cccc1F
CN1CCN(CC1)c1nc(N)nc(n1)-c1cc(C)cc(C)c1
CN1CCN(CC1)c1nc(N)nc(n1)-c1cc(F)c(F)c(F)c1
CN1CCN(CC1)c1nc(N)nc(n1)-c1cc(F)cc(F)c1
CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(Br)cc1
CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(C)c(C)c1
CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(C)cc1
CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(Cl)c(Cl)c1
CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(Cl)cc1
CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(F)cc1
CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(I)cc1
CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(cc1)C#N
CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(cc1)C(F)(F)F
CN1CCN(CC1)c1nc(N)nc(n1)-c1cccc(C)c1
CN1CCN(CC1)c1nc(N)nc(n1)-c1cccc(Cl)c1
CN1CCN(CC1)c1nc(N)nc(n1)-c1cccc(c1)C#N
CN1CCN(CC1)c1nc(N)nc(n1)-c1ccccc1
CN1CCN(CC1)c1nc(N)nc(n1)-c1ccccc1Cl
CN1CCN(CC1)c1nc(N)nc(n1)-c1ccncc1
CN1CCN(CC1)c1nc(N)nc(n1)C(C)(C)C
CN1CCN(CC1)c1nc(N)nc-2c1CCc1ccccc-21
CN1CCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccc(Br)cc1
CN1CCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccc(C)cc1
CN1CCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccc(Cl)c(Cl)c1
CN1CCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccc(Cl)cc1
CN1CCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccc(F)cc1
CN1CCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccc(cc1)C#N
CN1CCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccccc1
CN1CCN(CC1)c1nc(N)nc2c(Br)cccc12
CN1CCN(CC1)c1nc(N)nc2c(C)cccc12
CN1CCN(CC1)c1nc(N)nc2c(cccc12)-c1c(C)cccc1C |(-3.46,5.07,;-3.46,3.53,;-2.13,2.76,;-2.13,1.23,;-3.46,.46,;-4.8,1.22,;-4.8,2.76,;-3.46,-1.07,;-2.12,-1.84,;-2.12,-3.39,;-.78,-4.15,;-3.45,-4.16,;-4.79,-3.39,;-6.11,-4.15,;-7.45,-3.39,;-7.45,-1.84,;-6.11,-1.08,;-4.78,-1.85,;-6.11,-5.69,;-4.78,-6.45,;-3.45,-5.68,;-4.77,-7.99,;-6.11,-8.77,;-7.45,-8,;-7.45,-6.46,;-8.78,-5.69,)|
CN1CCN(CC1)c1nc(N)nc2c(cccc12)-c1ccc(cc1)C#N
CN1CCN(CC1)c1nc(N)nc2c(cccc12)-c1cccc(c1)C(C)=O
CN1CCN(CC1)c1nc(N)nc2c(cccc12)-c1ccccc1
CN1CCN(CC1)c1nc(N)nc2c(cccc12)-c1ccoc1
CN1CCN(CC1)c1nc(N)nc2c1oc1ccc(Cl)c(Cl)c21
CN1CCN(CC1)c1nc(N)nc2c1oc1ccc(F)c(F)c21
CN1CCN(CC1)c1nc(N)nc2c1oc1cccc(Cl)c21
CN1CCN(CC1)c1nc(N)nc2c1oc1cccc(F)c21
CN1CCN(CC1)c1nc(N)nc2c1oc1cccc(c21)C(F)(F)F
CN1CCN(CC1)c1nc(N)nc2c3cc(Br)ccc3sc12
CN1CCN(CC1)c1nc(N)nc2c3cc(Cl)ccc3oc12
CN1CCN(CC1)c1nc(N)nc2c3cc(Cl)ccc3s(=O)c12
CN1CCN(CC1)c1nc(N)nc2c3cc(Cl)ccc3sc12
CN1CCN(CC1)c1nc(N)nc2c3cc(Cl)cnc3oc12
CN1CCN(CC1)c1nc(N)nc2c3cc(F)ccc3sc12
CN1CCN(CC1)c1nc(N)nc2c3cc(ccc3oc12)C(F)(F)F
CN1CCN(CC1)c1nc(N)nc2c3ccc(Br)cc3sc12
CN1CCN(CC1)c1nc(N)nc2c3ccc(Cl)cc3sc12
CN1CCN(CC1)c1nc(N)nc2c3ccc(cc3sc12)C(F)(F)F
CN1CCN(CC1)c1nc(N)nc2c3ccccc3sc12
CN1CCN(CC1)c1nc(N)nc2cc(Br)ccc12
CN1CCN(CC1)c1nc(N)nc2cc(C)ccc12
CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1c(C)cccc1C
CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1ccc(cc1)C#N
CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1cccc(c1)C(C)=O
CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1ccccc1
CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1ccco1
CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1ccoc1
CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1ccsc1
CN1CCN(CC1)c1nc(N)nc2ccc(C)cc12
CN1CCN(CC1)c1nc(N)nc2ccccc12
CN1CCN(CC1)c1nc(N)nc2n(C)c(cc12)-c1ccc(F)cc1
CN1CCN(CC1)c1nc(N)nc2n(Cc3ccccc3)cnc12
CN1CCN(CC1)c1nc(N)nc2nc[nH]c12
CN1CCN(CC1)c1nc(N2CCCC2)c2cnn(C)c2n1
CN1CCN(CC1)c1nc(NCC2CCCCC2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCCNC(C)=O)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCCO)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCCS(=O)(=O)N2CCCC2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCCS(=O)(=O)N2CCOCC2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccc(I)cc2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2c(Cl)cc(Cl)cc2n1
CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2c(cccc2n1)C(F)(F)F
CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2cc(Br)c(Cl)cc2n1
CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2cc(Cl)c(Cl)cc2n1
CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2cc(Cl)cc(Cl)c2n1
CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2cc(I)ccc2n1
CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2ccc(Cl)c(Cl)c2n1
CN1CCN(CC1)c1nc(NCCS(C)(=O)=O)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCCS(N)(=O)=O)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCCc2ccc(cc2)[N+]([O-])=O)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCCc2ccccc2)c2CCc3ccccc3-c2n1
CN1CCN(CC1)c1nc(NCCc2ccccc2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCCc2ccccc2)c2ccccc2n1
CN1CCN(CC1)c1nc(NCCc2ccccc2)cc(n1)-c1ccccc1
CN1CCN(CC1)c1nc(NCCc2ccccc2)nc-2c1CCc1ccccc-21
CN1CCN(CC1)c1nc(NCCc2ccccc2)nc2CCc3ccccc3-c12
CN1CCN(CC1)c1nc(NCCc2cccs2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCCn2c(O)csc2=O)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2cc(C)cs2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2cc3ccccc3s2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2ccc(C)cc2)nc-2c1CCc1ccccc-21
CN1CCN(CC1)c1nc(NCc2ccc(C)o2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2ccc(F)c(F)c2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2ccc(F)cc2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2ccc(F)cc2)nc-2c1CCc1ccccc-21
CN1CCN(CC1)c1nc(NCc2ccc(N)cc2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2ccc(cc2)C#N)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2ccccc2)c2CCc3ccccc3-c2n1
CN1CCN(CC1)c1nc(NCc2ccccc2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2ccccc2)c2ccccc2n1
CN1CCN(CC1)c1nc(NCc2ccccc2)cc(n1)-c1ccccc1
CN1CCN(CC1)c1nc(NCc2ccccc2)nc-2c1CCc1ccccc-21
CN1CCN(CC1)c1nc(NCc2ccccc2)nc2CCc3ccccc3-c12
CN1CCN(CC1)c1nc(NCc2ccco2)c2cc(Cl)cc(C)c2n1
CN1CCN(CC1)c1nc(NCc2ccco2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2ccco2)c2cc(F)ccc2n1
CN1CCN(CC1)c1nc(NCc2ccco2)c2ccccc2n1
CN1CCN(CC1)c1nc(NCc2cccs2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2ccoc2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2ccsc2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2cncs2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2nc(C)no2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2nccs2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2sccc2C)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(Nc2ccccc2)c2ccccc2n1
CN1CCN(CC1)c1nc(OCc2ccccc2)c2ccccc2n1
CN1CCN(CC1)c1nc(Oc2ccccc2)c2ccccc2n1
CN1CCN(CC1)c1nc(nc2c3cc(Cl)ccc3oc12)-c1ccccc1
CN1CCN(CC1)c1nc(nc2c3cc(Cl)ccc3oc12)C(F)(F)F
CN1CCN(CC1)c1nc(nc2c3cc(Cl)ccc3oc12)C(O)=O
CN1CCN(CC1)c1nc(nc2c3cc(Cl)ccc3oc12)C1CC1
CN1CCN(CC1)c1nc2CCc3ccccc3-c2c(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc2cc(Cl)c(Cl)cc2[nH]c1=O
CN1CCN(CC1)c1nc2cc(Cl)c(Cl)cc2nc1C
CN1CCN(CC1)c1nc2cc(Cl)c(Cl)cc2nc1CCc1ccccc1
CN1CCN(CC1)c1nc2cc(Cl)c(Cl)cc2nc1Oc1ccccc1
CN1CCN(CC1)c1nc2cc(Cl)ccc2[nH]c1=O
CN1CCN(CC1)c1nc2ccc(C)cc2n2cnnc12
CN1CCN(CC1)c1nc2ccc(Cl)cc2c(=O)[nH]1
CN1CCN(CC1)c1nc2ccc(Cl)cc2n2cnnc12
CN1CCN(CC1)c1nc2ccc(Cl)cc2nc1OCc1ccccc1
CN1CCN(CC1)c1nc2ccc(cc2n2cnnc12)[N+]([O-])=O
CN1CCN(CC1)c1nc2ccccc2[nH]c1=O
CN1CCN(CC1)c1nc2ccccc2n2cnnc12
CN1CCN(CC1)c1nc2ccccc2nc1-c1ccccc1
CN1CCN(CC1)c1nc2ccccc2nc1C
CN1CCN(CC1)c1nc2ccccc2nc1C(F)(F)F
CN1CCN(CC1)c1nc2ccccc2nc1Cc1ccccc1
CN1CCN(CC1)c1nc2ccccc2nc1Cl
CN1CCN(CC1)c1nc2ccccc2nc1NCc1ccccc1
CN1CCN(CC1)c1nc2ccccc2nc1OC1CCCCC1
CN1CCN(CC1)c1nc2ccccc2nc1OCCCCc1ccccc1
CN1CCN(CC1)c1nc2ccccc2nc1OCCc1ccccc1
CN1CCN(CC1)c1nc2ccccc2nc1OCc1ccc(C)cc1
CN1CCN(CC1)c1nc2ccccc2nc1OCc1ccc(Cl)cc1
CN1CCN(CC1)c1nc2ccccc2nc1OCc1cccc(Cl)c1
CN1CCN(CC1)c1nc2ccccc2nc1OCc1ccccc1
CN1CCN(CC1)c1nc2ccccc2nc1OCc1ccccn1
CN1CCN(CC1)c1nc2ccccc2nc1OCc1cccnc1
CN1CCN(CC1)c1nc2ccccc2nc1OCc1ccncc1
CN1CCN(CC1)c1nc2ccccc2nc1Oc1ccc(C)cc1
CN1CCN(CC1)c1nc2ccccc2nc1Oc1ccc(Cl)c(Cl)c1
CN1CCN(CC1)c1nc2ccccc2nc1Oc1ccc(Cl)cc1
CN1CCN(CC1)c1nc2ccccc2nc1Oc1ccc(F)cc1
CN1CCN(CC1)c1nc2ccccc2nc1Oc1cccc(C)c1
CN1CCN(CC1)c1nc2ccccc2nc1Oc1ccccc1
CN1CCN(CC1)c1nc2ccccc2nc1Oc1cccnc1
CN1CCN(CC1)c1nc2ccccc2nc1Sc1ccccc1
CN1CCN(CC1)c1nc2cccnc2n2cnnc12
CN1CCN(CC1)c1nc2nc(C#N)c(Cl)cc2n2cnnc12
CN1CCN(CC1)c1nc2nc(C)c(Br)cc2n2cnnc12
CN1CCN(CC1)c1nc2nc(Cl)c(Cl)cc2n2cnnc12
CN1CCN(CC1)c1nc2nc(OCC(F)(F)F)c(Cl)cc2n2cnnc12
CN1CCN(CC1)c1nc2nc([N+]#[C-])c(Cl)cc2n2cnnc12
CN1CCN(CC1)c1nc2ncc(Br)c(C)c2n2cnnc12
CN1CCN(CC1)c1nc2ncc(Br)cc2n2cnnc12
CN1CCN(CC1)c1nc2ncc(Br)cc2n2nnnc12
CN1CCN(CC1)c1nc2ncc(C)cc2n2cnnc12
CN1CCN(CC1)c1nc2ncc(Cl)cc2c2cn(C)nc12
CN1CCN(CC1)c1nc2ncc(Cl)cc2c2nc(C)nn12
CN1CCN(CC1)c1nc2ncc(Cl)cc2c2ncnn12
CN1CCN(CC1)c1nc2ncc(Cl)cc2n2ccnc12
CN1CCN(CC1)c1nc2ncc(Cl)cc2n2cnnc12
CN1CCN(CC1)c1nc2ncc(Cl)cc2n2nc(C)nc12
CN1CCN(CC1)c1nc2ncc(Cl)cc2n2nnnc12
CN1CCN(CC1)c1nc2ncc(I)cc2n2cnnc12
CN1CCN(CC1)c1nc2ncc(cc2n2cnnc12)C#N
CN1CCN(CC1)c1nc2ncc(cc2n2cnnc12)C(F)(F)F
CN1CCN(CC1)c1nc2ncc(cc2n2cnnc12)[N+]#[C-]
CN1CCN(CC1)c1nc2ncccc2n2cnnc12
CN1CCN(CC1)c1ncc2ccccc2n1
CN1CCN(CC1)c1nccc2ccccc12
CN1CCN(CC1)c1ncnc(n1)-c1ccc(Cl)cc1
CN1CCN(CC1)c1ncnc2c(C)csc12
CN1CCN(CC1)c1ncnc2c3cc(Cl)ccc3oc12
CN1CCN(CC1)c1ncnc2c3ccccc3oc12
CN1CCN(CC1)c1ncnc2c3ccccc3sc12
CN1CCN(CC1)c1ncnc2ccccc12
CN1CCN(CC1)c1ncnc2n(Cc3ccc(Cl)cc3)nnc12
CN1CCN(CC1)c1ncnc2n(Cc3ccccc3)cnc12
CN1CCN(CC1)c1ncnc2nc[nH]c12
CN1CCN(CC2Cc3cc(Cl)ccc3O2)CC1
CN1CCN(CC2Cc3cc(ccc3O2)-c2ccccc2)CC1
CN1CCN(CC2Cc3cc(ccc3O2)C(C)(C)C)CC1
CN1CCN(CCCNC(=O)Nc2cccc(Cl)c2)CC1
CN1CCN(CCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
CN1CCN(CCCNC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1
CN1CCN(CCCOc2ccc(-c3nc4c(C)cc(C)cc4[nH]3)c(Cl)c2)CC1
CN1CCN(CCCOc2ccc(-c3nc4c(ccc5ccccc45)[nH]3)c(Cl)c2)CC1
CN1CCN(CCCOc2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(Cl)c2)CC1
CN1CCN(CCCOc2ccc(-c3nc4ccc(F)c(C)c4[nH]3)c(C)c2)CC1
CN1CCN(CCCOc2ccc(-c3nc4ccc(cc4[nH]3)C(C)(C)C)c(Cl)c2)CC1
CN1CCN(CCCOc2ccc(cc2)-c2nc3ccc(Cl)cc3[nH]2)CC1
CN1CCN(CCCOc2ccc(cc2C)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1
CN1CCN(CCCOc2ccc(cc2Cl)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1
CN1CCN(CCCn2cc(CC3CCCCC3)nn2)CC1
CN1CCN(Cc2cc3ccccc3[nH]2)CC1
CN1CCN(Cc2cc3ccccc3o2)CC1
CN1CCN(Cc2ccc3OCCc3c2)CC1
CN1CCN(Cc2cn(CCCc3cnc[nH]3)nn2)CC1
CN1CCN(Cc2cn(Cc3ccccc3)nn2)CC1
CN1CC[C@@H](C1)Nc1cc(NCCC(C)(C)C)ncn1 |r|
CN1C[C@@H]2C[C@H]1CN2c1nc2ncc(Cl)cc2n2cnnc12 |r|
CN1C[C@@H]2C[C@H]1CN2c1ncnc2c1oc1ccc(Cl)cc21 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=N)c1nc2c(F)c(F)c(F)cc2[nH]1 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=N)c1nc2cc(F)c(F)cc2[nH]1 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=N)c1nc2ccc(Cl)cc2[nH]1 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=N)c1nc2ccc(F)c(C)c2[nH]1 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=N)c1nc2ccc(F)c(F)c2[nH]1 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=N)c1nc2ccc(F)cc2[nH]1 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=N)c1nc2ccccc2[nH]1 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=O)c1cc2cc(Cl)ccc2[nH]1 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=O)c1cc2cc(Cl)cnc2[nH]1 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=O)c1cc2ccc(Cl)nc2[nH]1 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=O)c1cc2cccnc2[nH]1 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=O)c1nc2cc(F)c(F)cc2[nH]1 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=O)c1nc2ccc(Cl)cc2[nH]1 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=O)c1nc2ccc(F)c(C)c2[nH]1 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=O)c1nc2ccc(F)c(F)c2[nH]1 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=O)c1nc2ccc(F)cc2[nH]1 |r|
CN1C[C@H]2CN(C[C@H]2C1)C(=O)c1nc2ccccc2[nH]1 |r|
CNC(=S)NCCCCc1cnc[nH]1
CNC(N)=NN=C(C)c1ccc2sc3ccc(cc3c2c1)C(C)=N[NH+]=C(N)NC |w:5.4,2.2,23.26,25.28|
CNC(NC#N)=NCCCCc1cnc[nH]1 |w:6.6|
CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6|
CNC1(C)CCN(C1)c1ncnc2c3cc(Cl)ccc3oc12
CNC1CCCN(C1)c1ncnc2c3cc(Cl)ccc3oc12
CNC1CCN(C1)c1nc(C)nc2c3cc(Cl)ccc3oc12
CNC1CCN(C1)c1nc(NC)c2cc(Cl)ccc2n1
CNC1CCN(C1)c1ncnc2c1oc1ccc(cc21)-c1ccccc1
CNC1CCN(C1)c1ncnc2c3cc(Cl)ccc3oc12
CNC1CCN(C1)c1ncnc2c3cc(ccc3oc12)C#N
CNC1CCN(C1)c1ncnc2c3cc(ccc3oc12)C(=O)NC
CNC1CCN(C1)c1ncnc2c3cc(ccc3oc12)C(O)=O
CNC1CCN(CC1)c1ncnc2c1sc1ccccc21
CNC1CCN(CC1)c1ncnc2c3cc(Cl)ccc3oc12
CNC1CCN(CCCOc2ccc(-c3nc4ccc(F)c(C)c4[nH]3)c(C)c2)C1
CNC1CN(C1)C(=O)c1cc2cc(Cl)cc(C)c2[nH]1
CNC1CN(C1)C(=O)c1cc2cc(Cl)cc(F)c2[nH]1
CNC1CN(C1)C(=O)c1cc2cccc(C)c2[nH]1
CNC1CN(C1)C(=O)c1cc2cccc(F)c2[nH]1
CNC1CN(C1)C1=Nc2ncc(Br)cc2N2CCN=C12 |t:7,20|
CNC1CN(C1)c1cc(N)nc(NCC2CC2)n1
CNC1CN(C1)c1cc(NCC(C)(C)C)nc(N)n1
CNC1CN(C1)c1cc(NCCC(C)(C)C)nc(N)n1
CNC1CN(C1)c1cc(NCc2cccc(F)c2)nc(N)n1
CNC1CN(C1)c1nc(N)nc-2c1CCCc1ccccc-21
CNC1CN(C1)c1nc(N)nc2c1CCCC21CCCC1
CNC1CN(C1)c1nc(N)nc2cc(cnc12)C1CC1
CNC1CN(C1)c1nc(N)nc2cc(cnc12)C1CCCC1
CNC1CN(C1)c1nc2ccc(Cl)nc2n2cnnc12
CNC1CN(C1)c1nc2cnc(Cl)cc2n2cnnc12
CNC1CN(C1)c1nc2nc([N+]#[C-])c(Cl)cc2n2cnnc12
CNC1CN(C1)c1nc2ncc(Br)c(C)c2n2cnnc12
CNC1CN(C1)c1nc2ncc(Br)cc2c2ccnn12
CNC1CN(C1)c1nc2ncc(Br)cc2n2ccnc12
CNC1CN(C1)c1nc2ncc(Br)cc2n2cnnc12
CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12
CNC1CN(C1)c1nc2ncc(C)cc2n2cnnc12
CNC1CN(C1)c1nc2ncc(C=C)cc2n2cnnc12
CNC1CN(C1)c1nc2ncc(Cl)c(Cl)c2n2cnnc12
CNC1CN(C1)c1nc2ncc(Cl)cc2c2ncnn12
CNC1CN(C1)c1nc2ncc(Cl)cc2n2ccnc12
CNC1CN(C1)c1nc2ncc(Cl)cc2n2cnnc12
CNC1CN(C1)c1nc2ncc(Cl)cc2n2nnnc12
CNC1CN(C1)c1nc2ncc(I)cc2n2cnnc12
CNC1CN(C1)c1nc2ncc(OC(F)F)cc2n2cnnc12
CNC1CN(C1)c1nc2ncc(OC)cc2n2cnnc12
CNC1CN(C1)c1nc2ncc(cc2n2cnnc12)C#C
CNC1CN(C1)c1nc2ncc(cc2n2cnnc12)C(F)F
CNC1CN(C1)c1nc2ncc(cc2n2cnnc12)[N+]#[C-]
CNC1CN(C1)c1nc2ncc(cc2n2cnnc12)[N+]([O-])=O
CNC1CN(C1)c1ncnc2c3cc(Cl)ccc3oc12
CNCCc1cnc[nH]1
CNS(=O)(=O)CCCNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
CNS(=O)(=O)CCNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
CN[C@@H]1CCN(C1)C(=O)c1cc2cc(Cl)cc(C)c2[nH]1 |r|
CN[C@@H]1CCN(C1)C(=O)c1cc2cc(Cl)cc(F)c2[nH]1 |r|
CN[C@@H]1CCN(C1)C(=O)c1cc2cccc(C)c2[nH]1 |r|
CN[C@@H]1CCN(C1)C(=O)c1cc2cccc(F)c2[nH]1 |r|
CN[C@@H]1CCN(C1)c1cc(C)nc(N)n1 |r|
CN[C@@H]1CCN(C1)c1cc(CC(F)(F)F)nc(N)n1 |r|
CN[C@@H]1CCN(C1)c1cc(CCC(F)(F)F)nc(N)n1 |r|
CN[C@@H]1CCN(C1)c1cc(CCl)nc(N)n1 |r|
CN[C@@H]1CCN(C1)c1cc(CF)nc(N)n1 |r|
CN[C@@H]1CCN(C1)c1cc(Cc2ccccc2)nc(N)n1 |r|
CN[C@@H]1CCN(C1)c1cc(Cl)nc(N)n1 |r|
CN[C@@H]1CCN(C1)c1cc(N)nc(NC(C)C)c1 |r|
CN[C@@H]1CCN(C1)c1cc(N)nc(NC(C)C)n1 |r|
CN[C@@H]1CCN(C1)c1cc(N)nc(NC2CCCC2)c1 |r|
CN[C@@H]1CCN(C1)c1cc(N)nc(NC2CCCC2)n1 |r|
CN[C@@H]1CCN(C1)c1cc(N)nc(NCC(C)(C)C)c1 |r|
CN[C@@H]1CCN(C1)c1cc(N)nc(NCC(C)C)c1 |r|
CN[C@@H]1CCN(C1)c1cc(N)nc(NCC(C)C)n1 |r|
CN[C@@H]1CCN(C1)c1cc(N)nc(NCCO)n1 |r|
CN[C@@H]1CCN(C1)c1cc(N)nc(NCc2ccccc2)c1 |r|
CN[C@@H]1CCN(C1)c1cc(N)nc(NCc2ccccc2)n1 |r|
CN[C@@H]1CCN(C1)c1cc(N)nc(c1)N(C)C(C)C |r|
CN[C@@H]1CCN(C1)c1cc(N)nc(c1)N1CCCC1 |r|
CN[C@@H]1CCN(C1)c1cc(N)nc(n1)C(C)C |r|
CN[C@@H]1CCN(C1)c1cc(N)nc(n1)N(C)C(C)C |r|
CN[C@@H]1CCN(C1)c1cc(N)nc(n1)N1CCCC1 |r|
CN[C@@H]1CCN(C1)c1cc(NC(C)C)nc(N)n1 |r|
CN[C@@H]1CCN(C1)c1cc(NC2CCCC2)nc(N)n1 |r|
CN[C@@H]1CCN(C1)c1cc(NCC(C)C)nc(N)n1 |r|
CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(N)n1 |r|
CN[C@@H]1CCN(C1)c1cc(NCCO)nc(N)n1 |r|
CN[C@@H]1CCN(C1)c1cc(NCc2ccccc2)nc(N)n1 |r|
CN[C@@H]1CCN(C1)c1cc(nc(N)n1)C(C)(C)C |r|
CN[C@@H]1CCN(C1)c1cc(nc(N)n1)C(C)C |r|
CN[C@@H]1CCN(C1)c1cc(nc(N)n1)C(F)(F)F |r|
CN[C@@H]1CCN(C1)c1cc(nc(N)n1)C(F)F |r|
CN[C@@H]1CCN(C1)c1cc(nc(N)n1)C12CC3CC(CC(C3)C1)C2 |r,TLB:9:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
CN[C@@H]1CCN(C1)c1cc(nc(N)n1)C1CC1 |r|
CN[C@@H]1CCN(C1)c1cc(nc(N)n1)C1CCC1 |r|
CN[C@@H]1CCN(C1)c1cc(nc(N)n1)C1CCCC1 |r|
CN[C@@H]1CCN(C1)c1cc(nc(N)n1)C1CCCCC1 |r|
CN[C@@H]1CCN(C1)c1cc(nc(N)n1)N(C)C(C)C |r|
CN[C@@H]1CCN(C1)c1cc(nc(N)n1)N1CCCC1 |r|
CN[C@@H]1CCN(C1)c1ccnc(NC(C)C)c1 |r|
CN[C@@H]1CCN(C1)c1ccnc(NC(C)C)n1 |r|
CN[C@@H]1CCN(C1)c1ccnc(NC2CC3CCC2C3)c1 |r|
CN[C@@H]1CCN(C1)c1ccnc(NC2CC3CCC2C3)n1 |r|
CN[C@@H]1CCN(C1)c1ccnc(NC2CCCC2)c1 |r|
CN[C@@H]1CCN(C1)c1ccnc(NC2CCCC2)n1 |r|
CN[C@@H]1CCN(C1)c1ccnc(NCC(C)C)c1 |r|
CN[C@@H]1CCN(C1)c1ccnc(NCC(C)C)n1 |r|
CN[C@@H]1CCN(C1)c1ccnc(N[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)c1 |r|
CN[C@@H]1CCN(C1)c1ccnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 |r|
CN[C@@H]1CCN(C1)c1ccnc(c1)-c1ccsc1 |r|
CN[C@@H]1CCN(C1)c1ccnc(c1)N1CCCCC1 |r|
CN[C@@H]1CCN(C1)c1ccnc(n1)C(C)C |r|
CN[C@@H]1CCN(C1)c1cnnc(NC2CC3CCC2C3)c1 |r|
CN[C@@H]1CCN(C1)c1cnnc(NC2CCCC2)c1 |r|
CN[C@@H]1CCN(C1)c1cnnc(NC2CCCCC2)c1 |r|
CN[C@@H]1CCN(C1)c1cnnc(NC2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 |r|
CN[C@@H]1CCN(C1)c1cnnc(NCC(C)C)c1 |r|
CN[C@@H]1CCN(C1)c1cnnc(NCC2CC2)c1 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc(C)c1C |r|
CN[C@@H]1CCN(C1)c1nc(N)nc-2c1CCCc1ccccc-21 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2CC(CCCc12)c1ccccc1 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2CCCCc12 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2CCCc12 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c1CCCC21CCCC1 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c1oc1ccc(Cl)c(Cl)c21 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c1oc1ccc(F)c(F)c21 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c1oc1cccc(Cl)c21 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c1oc1cccc(F)c21 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c1oc1cccc(OC)c21 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c1oc1cccc(c21)C(F)(F)F |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Br)ccc3oc12 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Br)ccc3sc12 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)cc(Cl)c3oc12 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)ccc3oc12 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)ccc3sc12 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)cnc3oc12 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(F)ccc3oc12 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(F)ccc3sc12 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(OC)ccc3oc12 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(ccc3oc12)C(F)(F)F |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3ccc(Br)cc3sc12 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3ccc(Cl)cc3sc12 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3ccc(OC)cc3sc12 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3ccc(cc3sc12)C(F)(F)F |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3ccccc3oc12 |r|
CN[C@@H]1CCN(C1)c1nc(nc2c3cc(Cl)ccc3oc12)C(F)(F)F |r|
CN[C@@H]1CCN(C1)c1nc2ncc(Cl)cc2n2cnnc12 |r|
CN[C@@H]1CCN(C1)c1ncnc2c1oc1ccc(C)cc21 |r|
CN[C@@H]1CCN(C1)c1ncnc2c3cc(Cl)ccc3oc12 |r|
CN[C@@H]1CCN(C1)c1ncnc2c3cc(ccc3oc12)C(F)(F)F |r|
CN[C@@H]1CCN(C1)c1ncnc2c3ccc(Cl)cc3oc12 |r|
CN[C@H]1CCN(C1)c1cc(nc(N)n1)C1CCCC1 |r|
CN[C@H]1CCN(C1)c1cc(nc(N)n1)N1CCCC1 |r|
CN[C@H]1CCN(C1)c1ccnc(NC(C)C)n1 |r|
CN[C@H]1CCN(C1)c1ccnc(NC2CC3CCC2C3)c1 |r|
CN[C@H]1CCN(C1)c1ccnc(NC2CC3CCC2C3)n1 |r|
CN[C@H]1CCN(C1)c1ccnc(NC2CCCC2)c1 |r|
CN[C@H]1CCN(C1)c1ccnc(NC2CCCC2)n1 |r|
CN[C@H]1CCN(C1)c1ccnc(NCC(C)C)c1 |r|
CN[C@H]1CCN(C1)c1ccnc(NCC(C)C)n1 |r|
CN[C@H]1CCN(C1)c1cnnc(NC2CC3CCC2C3)c1 |r|
CN[C@H]1CCN(C1)c1cnnc(NC2CCCC2)c1 |r|
CN[C@H]1CCN(C1)c1cnnc(NCC(C)C)c1 |r|
CN[C@H]1CCN(C1)c1nc(N)nc2c3cc(Br)ccc3sc12 |r|
CN[C@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)ccc3oc12 |r|
CN[C@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)ccc3sc12 |r|
CN[C@H]1CCN(C1)c1nc(N)nc2c3ccc(Br)cc3sc12 |r|
CN[C@H]1CCN(C1)c1nc(N)nc2c3ccc(Cl)cc3sc12 |r|
CN[C@H]1CCN(C1)c1nc(N)nc2c3ccc(OC)cc3sc12 |r|
CN[C@H]1CCN(C1)c1nc(N)nc2c3ccc(cc3sc12)C(F)(F)F |r|
CN[C@H]1CCN(C1)c1ncnc2c3cc(Cl)ccc3oc12 |r|
CN[C@H]1CN(C[C@@H]1O)c1cc(nc(N)n1)C1CCCC1 |r|
CN\C(NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r|
CN\C(NC[C@@H]1CC[C@H](C1)c1c[nH]cn1)=N/C#N |r|
CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r|
CN\C(NC[C@H]1CC[C@H](C1)c1c[nH]cn1)=N/C#N |r|
CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
CNc1nc(N2CCN(C)CC2)c2cc(-c3ccc(F)cc3)n(C)c2n1
CNc1nc(NCC2CCN(C)C2)nc2ccc(Cl)cc12
CNc1nc(NCC2CCN(C)CC2)nc2ccc(Cl)cc12
CNc1nc(NCCC2CCN(C)C2)nc2ccc(Cl)cc12
CNc1nc(nc2cc(Cl)ccc12)N1CCN(C)CC1
CNc1nc(nc2ccc(Cl)cc12)N1CC(C)N(C)C(C)C1
CNc1nc(nc2ccc(Cl)cc12)N1CC2CCCNC2C1
CNc1nc(nc2ccc(Cl)cc12)N1CCC2(CCN(C)C2)C1
CNc1nc(nc2ccc(Cl)cc12)N1CCC2(CCN(C)CC2)CC1
CNc1nc(nc2ccc(Cl)cc12)N1CCCC1CN1CCN(C)CC1
CNc1nc(nc2ccc(Cl)cc12)N1CCCN(C)CC1
CNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
CNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1C
CNc1nc(nc2ccc(Cl)cc12)N1CCN2CCC[C@H]2C1 |r|
CNc1nc(nc2ccc(Cl)cc12)N1CC[C@@H](N)C1 |r|
CNc1nc(nc2ccc(Cl)cc12)N1CC[C@H](N)C1 |r|
CNc1nc(nc2ccc(Cl)cc12)N1C[C@@H]2CNC[C@@H]2C1 |r|
CNc1nc(nc2cccc(C)c12)N1CCN(C)CC1
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
COCCN(c1ccnc(N)n1)c1ccc(cc1C)S(F)(F)(F)(F)F
COCCN(c1ccnc(N)n1)c1ccc(cc1C1CCC1)S(C)(=O)=O
COCc1ccc(CN2CC[C@@H](C2)Nc2cc(NCCC(C)(C)C)ncn2)o1 |r|
COCc1nc(N)nc(n1)N1CCN(C)CC1
COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r|
COc1cc2CC(C(=O)NCCCCN3CCN(CC3)c3ccccc3F)=C(C)c2cc1OC |t:28|
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
COc1ccc(CCN=C(N)SCCCc2cnc[nH]2)cc1 |w:8.7|
COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
COc1ccc(CN(CCN(C)CC(C)Nc2ccc3[nH]c(cc3c2)C(=O)N2CCN(C)CC2)c2ccccn2)cc1
COc1ccc(CN(CCN(C)CCN2CCN(CC2)C(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccn2)cc1
COc1ccc(CN(CCN(C)CCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)c2ccccn2)cc1
COc1ccc(CN(CCN2CCN(CC2)C(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccn2)cc1
COc1ccc(CN(CCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)c2ccccn2)cc1
COc1ccc(CN(CCN2CCN(CC2)C(=O)c2nc3ccccc3[nH]2)c2ccccn2)cc1
COc1ccc(CN(CCN[C@H]2CCN(C2)C(=O)c2cc3ccccc3[nH]2)c2ccccn2)cc1 |r|
COc1ccc(CN=C(N)SCCCc2cnc[nH]2)cc1 |w:7.6|
COc1ccc(CNc2cc(nc(N)n2)N2CCN(C)CC2)cc1
COc1ccc(CNc2cc(nc(n2)N2CCN(C)CC2)-c2ccccc2)cc1
COc1ccc(CNc2nc(N3CCN(C)CC3)c3CCc4ccccc4-c3n2)cc1
COc1ccc(CNc2nc(cc(n2)-c2ccccc2)N2CCN(C)CC2)cc1
COc1ccc(CNc2nc(nc-3c2CCc2ccccc-32)N2CCN(C)CC2)cc1-c1ccc(Cl)cc1
COc1ccc(CNc2nc(nc3ccc(Cl)cc23)N2CCN(C)CC2)cc1
COc1ccc(CNc2nc3CCc4ccccc4-c3c(n2)N2CCN(C)CC2)cc1
COc1ccc(COc2nc3ccccc3nc2N2CCN(C)CC2)cc1
COc1ccc(Cl)cc1-c1nc(N)nc(n1)N1CCN(C)CC1
COc1ccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)cc1
COc1ccc(\C(=N\[C@H](C)Cc2cnc[nH]2)c2ccccc2)c(O)c1 |r|
COc1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)N1CCN(C)CC1
COc1ccc(cc1)-c1ccc2c(nc(N)nc2c1)N1CCN(C)CC1
COc1ccc(cc1)-c1cccc2c(nc(N)nc12)N1CCN(C)CC1
COc1ccc(cc1)C(C)NC(=O)\N=C(/N)NCCCc1sc(N)nc1C
COc1ccc(cc1)N1CCC(Cc2cnc[nH]2)CC1
COc1ccc(cc1Cl)-c1nc(N)nc(n1)N1CCN(C)CC1
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
COc1ccc2OC(CN3CCN(C)CC3)Cc2c1
COc1ccc2OC(CN3CCN(CC=C)CC3)Cc2c1
COc1ccc2[nH]c(cc2c1)C(=O)N1CCN(C)CC1
COc1ccc2c(c1)C(=O)O[C@]21CC[C@@H](CC1)C(=O)N(C)CCN1CCCCC1 |r,wU:11.11,wD:14.19,(9.71,4.04,;10.41,2.67,;11.95,2.59,;12.79,3.89,;14.34,3.8,;15.03,2.43,;14.18,1.13,;12.64,1.22,;15.15,-.07,;14.75,-1.56,;16.6,.48,;16.52,2.02,;16.52,3.56,;17.85,4.34,;19.18,3.56,;19.18,2.02,;17.85,1.26,;20.51,4.33,;20.52,5.87,;21.85,3.55,;23.18,4.32,;21.84,2.01,;23.17,1.24,;23.17,-.3,;21.83,-1.06,;21.82,-2.59,;23.15,-3.37,;24.49,-2.61,;24.5,-1.06,)|
COc1ccc2c(c1)sc1c(nc(N)nc21)N1CCN(C)CC1
COc1ccc2cc([nH]c2c1)C(=O)N1CCN(C)CC1
COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCO)c2c1
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCn3ccnc3)c2c1
COc1ccc2oc3c(nc(N)nc3c2c1)N1CCC[C@H](N)C1 |r|
COc1ccc2oc3c(nc(N)nc3c2c1)N1CCN(C)CC1
COc1ccc2oc3c(nc(N)nc3c2c1)N1C[C@@H]2C[C@H]1CN2 |r|
COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
COc1cccc(c1)C(O)(COc1ccccc1C)CN1CCN(C)CC1
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
COc1cccc2[nH]c(cc12)C(=O)N1CCN(C)CC1
COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
COc1cccc2cc([nH]c12)C(=O)N1CCCN(C)CC1
COc1cccc2cc([nH]c12)C(=O)N1CCN(C)CC1
COc1cccc2oc3c(nc(N)nc3c12)N1CCC[C@H](N)C1 |r|
COc1cccc2oc3c(nc(N)nc3c12)N1CCN(C)CC1
COc1cccc2oc3c(nc(N)nc3c12)N1CCNCC1
COc1cccc2oc3c(nc(N)nc3c12)N1C[C@@H]2C[C@H]1CN2 |r|
COc1ccccc1Cn1ccc(NCCc2cnc[nH]2)nc1=O
COc1ccccc1N1CCN(CCCCNc2nccc3ccccc23)CC1
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
COc1ccccc1N1CCN(Cc2cc(CN(C)C)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CN3CCCCC3)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CN3CCN(CC3)c3ccc(Cl)cc3)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CN3CCN(CC3)c3ccccc3OC)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CO)c3cccccc23)CC1
COc1cn(ccc1=O)-c1ccc(OCCCN2CCCC2)cc1
COc1nc(N2CCN(C)CC2)c2oc3ccc(Cl)cc3c2n1
COc1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C)CC1
COc1nc2cc(Cl)ccc2nc1N1CCN(C)CC1
COc1nc2ccccc2nc1N1CCN(C)CC1
COc1nc2nc(N3CCN(C)CC3)c3nncn3c2cc1Cl
COc1nccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
CS(=O)(=O)CCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
CS(=O)(=O)c1ccc(N(Cc2cccc(n2)C(F)(F)F)c2ccnc(N)n2)c(c1)C1CCC1
CS(=O)(=O)c1ccc(N(Cc2ccn[nH]2)c2ccnc(N)n2)c(c1)C1CCC1
CS(=O)(=O)c1ccc(N(Cc2ccncn2)c2ccnc(N)n2)c(c1)C1CCC1
CS(=O)(=O)c1ccc(N(Cc2cocn2)c2ccnc(N)n2)c(c1)C1CCC1
CSCCC(N)C(O)=O
C[C@@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |r,w:8.8|
C[C@@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |r,w:8.8|
C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8|
C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)c1ccccc1 |r,w:8.8|
C[C@@H](CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@@H](CNC(=S)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@@H](Cc1cnc[nH]1)N=C(N)NCCSCc1[nH]cnc1C |w:9.10|
C[C@@H](N)Cc1c[nH]cn1 |r|
C[C@@H](N)Cc1cnc[nH]1 |r|
C[C@@H](NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
C[C@@H](NC(=S)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r|
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
C[C@@H]1CCCN1CCc1ccc(OCc2ccccc2)cc1
C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |r,w:8.8|
C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |r,w:8.8|
C[C@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8|
C[C@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)c1ccccc1 |r,w:8.8|
C[C@H](CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@H](CNC(=S)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r|
C[C@H](Cc1cnc[nH]1)N=C(N)NCCSCc1[nH]cnc1C |w:9.10|
C[C@H](N)Cc1c[nH]cn1
C[C@H](N)Cc1cnc[nH]1
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1)C(N)=O |r,c:74,76,t:71|
C[C@H](NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@H](NC(=S)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@H](NCc1ccc(OCCCN2CCCCC2)cc1)C(N)=O |r|
C[C@H]1CCCN1CCc1ccc2ccccc2c1
C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
C[C@H]1CN(CCN1)c1nc(N)nc2c3cc(Cl)cnc3oc12 |r|
C[C@H]1CN(CCN1)c1nc2ncc(Cl)cc2n2cnnc12 |r|
C[C@H]1CN(CCN1C)c1nc2ncc(Cl)cc2n2cnnc12 |r|
C\C=C\c1cc(Cl)ccc1N(Cc1cocn1)c1ccnc(N)n1
C\C=C\c1cc(F)ccc1N(C(C)C)c1ccnc(N)n1
C\C=C\c1cc(ccc1N(C(C)C)c1ccnc(N)n1)C#N
C\C=C\c1cc(ccc1N(C(C)C)c1ccnc(N)n1)C(F)(F)F
C\C=C\c1cc(ccc1N(C(C)C)c1ccnc(N)n1)C(N)=O
C\C=C\c1cc(ccc1N(Cc1cocn1)c1ccnc(N)n1)C#N
C\C=C\c1cc(ccc1N(Cc1cocn1)c1ccnc(N)n1)C(N)=O
C\N=C(/S)NCCCCc1c[nH]cn1
C\N=C(\NC[C@@H]1CC[C@@H](O1)c1c[nH]cn1)NC#N
C\N=C(\NC[C@@H]1CC[C@H](O1)c1c[nH]cn1)NC#N
C\N=C(\NC[C@H]1CC[C@@H](O1)c1c[nH]cn1)NC#N
C\N=C(\NC[C@H]1CC[C@H](O1)c1c[nH]cn1)NC#N
Cc1[nH]cnc1CSCCNC(=N)NCCCc1c[nH]cn1
Cc1cc(Br)ccc1N(Cc1cocn1)c1ccnc(N)n1
Cc1cc(C)nc(n1)[NH+]=C(N)NCCc1cnc[nH]1 |w:8.8|
Cc1cc(Cl)cc2cc([nH]c12)C(=O)N1CC(C1)N1CCCC1
Cc1cc(Cl)cc2cc([nH]c12)C(=O)N1CCNCC1
Cc1cc(F)ccc1N(Cc1ccn[nH]1)c1ccnc(N)n1
Cc1cc(OC(F)(F)F)ccc1N(Cc1cocn1)c1ccnc(N)n1
Cc1cc(OCCCCCc2cccnc2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCN2C3CNCC23)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCN2CC3CCCNC3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCN2CC3CCNC3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCN2CC3CNC3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCN2CC3NC3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCN2CCC(N)C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCN2CCCC(N)C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCN2C[C@@H]3CCCN[C@@H]3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 |r|
Cc1cc(OCCCN2C[C@H]3CCCN[C@H]3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 |r|
Cc1cc(OCCCN2Cc3cccnc3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCNC(=O)CCCCCN2\C(=C/C=C/C=C/C3=[N+](CCCCS([O-])(=O)=O)c4ccccc4C3(C)C)C(C)(C)c3ccccc23)ccc1-c1nc2c(C)c(F)ccc2[nH]1 |c:23|
Cc1cc(OCCCNC(=O)CCCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5ccc[nH]5)n3[B-]4(F)F)cc2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 |c:30,32,t:27|
Cc1cc(OCCCNCC2CCCCN2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCNCC2CCCNC2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCNCCc2cn(C)cn2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCNCCc2cnc[nH]2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCNCc2ccccn2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCNCc2cccnc2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCNCc2cnccn2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(ccc1N(Cc1cc[nH]n1)c1ccnc(N)n1)S(F)(F)(F)(F)F
Cc1cc(ccc1N(Cc1cccnn1)c1ccnc(N)n1)S(F)(F)(F)(F)F
Cc1cc(ccc1N(Cc1ccon1)c1ccnc(N)n1)S(F)(F)(F)(F)F
Cc1cc(ccc1N(Cc1cnco1)c1ccnc(N)n1)S(F)(F)(F)(F)F
Cc1cc(ccc1N(Cc1cocn1)c1ccnc(N)n1)C(F)(F)F
Cc1cc(ccc1N(Cc1cocn1)c1ccnc(N)n1)S(F)(F)(F)(F)F
Cc1cc(ccc1N(Cc1cscn1)c1ccnc(N)n1)S(F)(F)(F)(F)F
Cc1cc(ccc1N(Cc1n[nH]cc1Cl)c1ccnc(N)n1)S(F)(F)(F)(F)F
Cc1cc(ccc1N(Cc1n[nH]cc1F)c1ccnc(N)n1)S(F)(F)(F)(F)F
Cc1cc(ccc1N(Cc1ncccc1Cl)c1ccnc(N)n1)S(F)(F)(F)(F)F
Cc1cc(ccc1N(Cc1ncccn1)c1ccnc(N)n1)S(F)(F)(F)(F)F
Cc1cc(ccc1N(Cc1ncco1)c1ccnc(N)n1)S(F)(F)(F)(F)F
Cc1cc2c(nc(N)nc2[nH]1)N1CCNCC1
Cc1ccc(CCN=C(N)SCCCc2cnc[nH]2)cc1 |w:7.6|
Cc1ccc(CN=C(N)SCCCc2cnc[nH]2)cc1 |w:6.5|
Cc1cccc2cc([nH]c12)C(=O)N1CC(C1)N1CCCC1
Cc1cccc2cc([nH]c12)C(=O)N1CCNCC1
Cc1nc(N)[se]c1CCN
Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:10.10,29.30|
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NC(c1ccccc1)C(F)(F)F
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NC(c1ccccc1)c1ccccc1
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NC1CCCCC1
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCC(c1ccccc1)c1ccccc1
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCCc1ccccc1
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCc1ccccc1
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCc1ccco1
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)Nc1ccccc1
Cc1nc(N)sc1CCCN\C(N)=N\C(=S)NC(c1ccccc1)c1ccccc1
Cc1nc(N)sc1CCCN\C(N)=N\C(=S)NCC(c1ccccc1)c1ccccc1
Cc1nc(N)sc1CCN
Cc1nc2c3cc(Cl)cnc3nc(N3CCNCC3)n2n1
Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1nc2cccc(c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1)C(F)(F)F
Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Cc1nc[nH]c1CCN
Cc1nc[nH]c1CSCCN=C(N)NCCCc1cnc[nH]1 |w:10.10|
Cc1nc[nH]c1CSCCN=C(NCCC(c1ccccc1)c1ccccc1)NC#N |w:10.10|
Cc1nc[nH]c1[C@@H]1C[C@H]1CCNCc1ccc(Cl)cc1 |r|
Cc1nc[nH]c1[C@@H]1C[C@H]1CNCc1ccc(Cl)cc1 |r|
Cc1ncc(CCN)[nH]1
Cc1nccc(NCCNc2cc(nc(N)n2)-c2ccccc2)n1
Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
Cc1nnc(-c2cccnc2)n1-c1ccc(OCCCN2CCCCC2)cc1
Cc1nnc(C)n1-c1ccc(OCCCN2CCCCC2)cc1
Cc1ocnc1CN(c1ccnc(N)n1)c1ccc(cc1C)S(F)(F)(F)(F)F
Cl.CN1CCN(CC1)c1cnc2cc(Cl)ccc2n1
Cl.Cl.CC(NC(=O)\N=C(/N)NCCCc1nnc(N)s1)c1cccc(F)c1
Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1ncn[nH]1)c1ccccc1 |r|
Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1nnc(N)s1)c1ccccc1 |r|
Clc1cc2c(nc1Cl)nc(N1CCNCC1)c1nncn21
Clc1ccc(CCCOCCCN2CCCCC2)cc1
Clc1ccc(CCNC(=O)OCCCc2c[nH]cn2)cc1
Clc1ccc(CN=C(NC2CCCCC2)SCCCc2cnc[nH]2)cc1 |w:6.5|
Clc1ccc(CNC(=N)SCCCCc2c[nH]cn2)cc1
Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1
Clc1ccc(CNC(=S)NCCCCCc2c[nH]cn2)cc1
Clc1ccc(CNC(=S)NCCCCCc2cnc[nH]2)cc1
Clc1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1Cl |w:17.18|
Clc1ccc(CNC(SCCCc2cnc[nH]2)=NCc2ccccc2)cc1 |w:17.18|
Clc1ccc(CNC(SCCCc2cnc[nH]2)=NCc2ccccc2)cc1Cl |w:17.18|
Clc1ccc(CNCC[C@@H]2C[C@@H]2c2cc3cc(Cl)ccc3[nH]2)cc1 |r|
Clc1ccc(CNCC[C@@H]2C[C@@H]2c2cnc[nH]2)cc1
Clc1ccc(CNCC[C@@H]2C[C@H]2c2cnc[nH]2)cc1
Clc1ccc(CNCC[C@@H]2C[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 |r|
Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Clc1ccc(CNCC[C@H]2C[C@H]2N2CCNCC2)cc1 |r|
Clc1ccc(CNCC[C@H]2C[C@H]2c2cnc[nH]2)cc1
Clc1ccc(CNC[C@@H]2C[C@@H]2c2cc3cc(Cl)ccc3[nH]2)cc1 |r|
Clc1ccc(CNC[C@@H]2C[C@@H]2c2cnc[nH]2)cc1
Clc1ccc(CNC[C@@H]2C[C@H]2c2cnc[nH]2)cc1
Clc1ccc(CNC[C@@H]2C[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 |r|
Clc1ccc(CNC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Clc1ccc(CNC[C@H]2C[C@H]2N2CCNCC2)cc1 |r|
Clc1ccc(CNC[C@H]2C[C@H]2c2cnc[nH]2)cc1
Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1
Clc1ccc(Cn2cc(CCCc3cnc[nH]3)nn2)cc1Cl
Clc1ccc(Cn2ccc3c(nc(Cl)nc23)N2CCC(CC2)N2CCCCC2)cc1
Clc1ccc(Cn2ccc3c(ncnc23)N2CCC(CC2)N2CCCCC2)cc1
Clc1ccc(cc1)-c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Clc1ccc(cc1)C(=O)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Clc1ccc(cc1)C(NC(=O)OCCCc1c[nH]cn1)c1ccc(Cl)cc1
Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13|
Clc1ccc2[nH]c(=O)c(NCN3CCCC3)nc2c1
Clc1ccc2[nH]c(cc2c1)C(=O)N1CC(C1)N1CCCC1
Clc1ccc2[nH]c(cc2c1)C(=O)N1CCCNCC1
Clc1ccc2[nH]c(cc2c1)C(=O)N1CCNCC1
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7]-[#6]-[#6]-2)c1
Clc1ccc2nc([nH]c2c1)C(=O)N1C[C@@H]2CNC[C@@H]2C1 |r|
Clc1ccc2oc3c(ncnc3c2c1)N1CC2CCCNC2C1
Clc1ccc2oc3c(ncnc3c2c1)N1CCN2CCCC2C1
Clc1cccc(CNC(=N)SCCCc2c[nH]cn2)c1
Clc1cccc(Cl)c1Cn1ccc2c(ncnc12)N1CCC(CC1)N1CCCCC1
Clc1cccc(N2CCN(CCCCNC(=O)c3cncc(Br)c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl
Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Clc1cccc(c1)-c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Clc1ccccc1CNC(=N)SCCCc1c[nH]cn1
Clc1ccccc1OCCNC(=O)OCCCc1c[nH]cn1
Clc1cnc2nc(N3CC4CCCNC4C3)c3nncn3c2c1
Clc1cnc2nc(N3CCCNCC3)c3nncn3c2c1
Clc1cnc2nc(N3CCN(CC3)C3CC3)c3nncn3c2c1
Clc1cnc2nc(N3CCN4CCCC4C3)c3nncn3c2c1
Clc1cnc2nc(N3CCNCC3)c3nccn3c2c1
Clc1cnc2nc(N3CCNCC3)c3nncn3c2c1
Clc1cnc2nc(N3CCNCC3)n3nc(nc3c2c1)C1CC1
Clc1cnc2nc(N3C[C@@H]4C[C@H]3CN4)c3nncn3c2c1 |r|
Clc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(CCN3CCOCC3)c2n1
Clc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(Cc3c(Cl)cccc3Cl)c2n1
Clc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(Cc3ccc(cc3)C#N)c2n1
Clc1nc(N2CCC(CC2)N2CCOCC2)c2ccn(CCN3CCOCC3)c2n1
Cn1c(cc2c(nc(N)nc12)N1CCNCC1)-c1ccc(F)cc1
Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCC2)cc1
Cn1ccc2c(nc(N)nc12)N1CCNCC1
Cn1cnc(CCN)c1
FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
FC(F)(F)c1ccc(SC[C@@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
FC(F)(F)c1ccc(cc1)N1CCC(Cc2cnc[nH]2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nccc3ccccc23)CC1
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Fc1cc(Cl)cc2cc([nH]c12)C(=O)N1CC(C1)N1CCCC1
Fc1cc(Cl)cc2cc([nH]c12)C(=O)N1CCNCC1
Fc1ccc(Cn2c(NC3CCN(CCN4CCN(CC4)C(=O)c4cc5ccccc5[nH]4)CC3)nc3ccccc23)cc1
Fc1ccc(Cn2ccc3c(nc(Cl)nc23)N2CCC(CC2)N2CCCCC2)cc1
Fc1ccc(Cn2ccc3c(ncnc23)N2CCC(CC2)N2CCCCC2)cc1
Fc1ccc(cc1)-c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Fc1ccc(cc1)C(=O)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Fc1cccc2cc([nH]c12)C(=O)N1CC(C1)N1CCCC1
Fc1cccc2cc([nH]c12)C(=O)N1CCNCC1
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Ic1ccc(CCCC(=O)OCCCc2cnc[nH]2)cc1
Ic1ccc(COCCCc2c[nH]cn2)cc1
Ic1ccc(COCCCc2cnc[nH]2)cc1
Ic1ccc(cc1)C(OCCCc1c[nH]cn1)c1ccccc1
Ic1cnc2nc(N3CCN4CCCC4C3)c3nncn3c2c1
N#CNC(NCCCCc1ccccc1)=NCCc1cnc[nH]1 |w:15.16|
N#CNC(NCCCc1ccccc1)=NCCCCc1cnc[nH]1 |w:14.15|
N#CNC(NCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:14.15|
N#CNC(NCCCc1ccccn1)=NCCCCc1cnc[nH]1 |w:14.15|
N#CNC(NCCCc1cccnc1)=NCCCCc1cnc[nH]1 |w:14.15|
N#CNC(NCCCc1ccncc1)=NCCCCc1cnc[nH]1 |w:14.15|
N#CNC(NCCSc1ccccc1)=NCCCCc1cnc[nH]1 |w:14.15|
N#CNC(NCCSc1ccccc1)=NCCCc1cnc[nH]1 |w:14.15|
N#CNC(NCCc1ccccc1)=NCCCCc1cnc[nH]1 |w:13.14|
N#C\N=C(/NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1)NC1CC1 |r|
N#C\N=C(/NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)NC1CC1 |r|
N#C\N=C(\NCCCc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCCc1ccccc1)NC[C@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCOc1ccccc1)NC[C@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCSc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCSc1ccccc1)NC[C@@H]1CC[C@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCSc1ccccc1)NC[C@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCSc1ccccc1)NC[C@H]1CC[C@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCSc1ccccc1)N[C@H]1CC[C@H](CC1)c1c[nH]cn1 |r,wD:15.15,18.22,(-1.6,2.16,;-2.67,1.55,;-4,.78,;-4,-.77,;-5.34,-1.53,;-6.67,-.76,;-8.01,-1.53,;-9.34,-.76,;-10.68,-1.52,;-12.01,-.75,;-13.35,-1.52,;-13.35,-3.06,;-12.01,-3.83,;-10.68,-3.06,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;2.67,1.54,;4.05,.9,;5.09,2.04,;4.32,3.38,;2.81,3.06,)|
N#Cc1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1 |w:18.19|
N#Cc1ccc(Cn2ccc3c(ncnc23)N2CCC(CC2)N2CCCCC2)cc1
N#Cc1ccc(OCCCN2CCCCC2)cc1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
N=C(NCCC(c1ccccc1)c1ccccc1)SCCCc1cnc[nH]1
N=C(NCCCc1c[nH]cn1)NC(=O)CCc1ccccc1
N=C(NCCCc1ccccc1)SCCCc1cnc[nH]1
N=C(NCCCc1cnc[nH]1)NC(=O)CCCCC(=O)NC(=N)NCCCc1cnc[nH]1
N=C(NCCCc1cnc[nH]1)NC(=O)CCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1
N=C(NCCc1ccccc1)SCCCc1cnc[nH]1
N=C(NCc1ccccc1)SCCCc1cnc[nH]1
NC(=N)SCCCc1c[nH]cn1
NC(=N)SCCCc1cnc[nH]1
NC(=N)SCCc1c[nH]cn1
NC(=N)SCCc1cnc[nH]1
NC(=NCCCc1cnc[nH]1)N=CC(c1ccccc1)c1ccccc1 |w:2.2,11.11|
NC(CCS)C(O)=O
NC(CS(O)(=O)=O)C(O)=O
NC(CS(O)=O)C(O)=O
NC(CS)C(O)=O
NC(CSSCC(N)C(O)=O)C(O)=O
NC(N)=NCCCc1cnc[nH]1 |(34.52,3.88,;33.18,4.65,;33.18,6.19,;31.85,3.88,;30.52,4.65,;29.18,3.88,;27.85,4.65,;26.51,3.88,;26.53,2.34,;25.07,1.85,;24.15,3.09,;25.05,4.34,)|
NC(NC#N)=NCCCCc1cnc[nH]1 |w:5.5|
NC(NC(=O)CC(c1ccccc1)c1ccccc1)=NCCCc1cnc[nH]1 |w:19.21|
NC(NC(=O)CC(c1nccs1)c1ccccc1)=NCCCc1cnc[nH]1 |w:18.20|
NC(NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:27.28|
NC(NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:33.34|
NC(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:39.40|
NC(NC(=O)CCNC(=O)c1cc2ccccc2[nH]1)=NCCCc1cnc[nH]1 |w:19.21|
NC(NC(=O)CCc1c[nH]c2ccccc12)=NCCCc1cnc[nH]1 |w:16.18|
NC(NC(=O)CNC(=O)c1cc2ccccc2[nH]1)=NCCCc1cnc[nH]1 |w:18.20|
NC(NC(=O)Cc1c[nH]c2ccccc12)=NCCCc1cnc[nH]1 |w:15.17|
NC(NCc1ccccc1)=NCCCc1cnc[nH]1 |w:10.11|
NC(SCCCc1cnc[nH]1)=NCCCCc1ccccc1 |w:11.12|
NC(SCCCc1cnc[nH]1)=NCCc1ccc(Br)cc1 |w:11.12|
NC(SCCCc1cnc[nH]1)=NCCc1ccc(Cl)cc1 |w:11.12|
NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
NC(SCCCc1cnc[nH]1)=NCc1ccc(Br)cc1 |w:11.12|
NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)c(Cl)c1 |w:11.12|
NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
NC(SCCCc1cnc[nH]1)=NCc1ccc(F)cc1 |w:11.12|
NC(SCCCc1cnc[nH]1)=NCc1ccc(I)cc1 |w:11.12|
NC(SCCCc1cnc[nH]1)=NCc1cccc(Cl)c1 |w:11.12|
NC(SCCCc1cnc[nH]1)=NCc1ccccc1Cl |w:11.12|
NC1CCN(C1)c1ncnc2c1oc1ccc(Cl)cc21
NC1CN(C1)c1cc(nc(N)n1)C1CCCC1
NC1CN(C1)c1nc(N)nc2c1oc1ccc(Cl)cc21
NC1CN(C1)c1nc(N)nc2c1oc1ncc(Cl)cc21
NC1CN(C1)c1nc2ncc(Cl)cc2n2cnnc12
NC1CN(C1)c1nc2ncc(cc2n2cnnc12)C(F)(F)F
NCC1CC1c1c[nH]cn1
NCC1CN(C1)c1nc(N)nc2c3cc(Cl)ccc3oc12
NCC1CN(C1)c1nc(N)nc2c3cc(Cl)cnc3oc12
NCCCCCCc1cnc[nH]1
NCCCCCc1c[nH]cn1
NCCCCCc1cnc[nH]1
NCCCCc1c[nH]cn1
NCCCCc1cnc[nH]1
NCCCc1c[nH]cn1
NCCCc1cnc[nH]1
NCC[C@@H]1C[C@@H]1c1cnc[nH]1
NCC[C@H]1C[C@H]1c1cnc[nH]1
NCCc1c[nH]c(n1)-c1cccc(Br)c1
NCCc1c[nH]cn1
NCCc1ccccn1
NCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
NCCc1cnc([nH]1)-c1cccc(Br)c1
NCCc1cnc([nH]1)-c1cccc(c1)C(F)(F)F
NCCc1cnc[nH]1
NCCc1nccs1
NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
NC[C@@H]1CC[C@@H](O1)c1c[nH]cn1
NC[C@@H]1CC[C@H](O1)c1c[nH]cn1
NC[C@@H]1C[C@@H]1c1cnc[nH]1
NC[C@@H]1C[C@H]1c1cnc[nH]1
NC[C@@H]1O[C@@H](C=C1)c1c[nH]cn1 |c:5|
NC[C@@H]1O[C@H](C=C1)c1c[nH]cn1 |c:5|
NC[C@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)ccc3oc12 |r|
NC[C@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
NC[C@H]1CC[C@@H](O1)c1c[nH]cn1
NC[C@H]1CC[C@H](O1)c1c[nH]cn1
NC[C@H]1C[C@@H]1c1cnc[nH]1
NC[C@H]1C[C@H]1c1cnc[nH]1
NC[C@H]1O[C@@H](C=C1)c1c[nH]cn1 |c:5|
NC[C@H]1O[C@H](C=C1)c1c[nH]cn1 |c:5|
N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@@H](CCS(O)=O)C(O)=O |r|
N[C@@H]1CCCN(C1)c1cc(nc(N)n1)C1CCCC1 |r|
N[C@@H]1CCCN(C1)c1nc(N)nc2c1oc1ccc(Cl)cc21 |r|
N[C@@H]1CCN(C1)c1cc(Cc2ccccc2)nc(N)n1 |r|
N[C@@H]1CCN(C1)c1cc(nc(N)n1)C1CCCC1 |r|
N[C@@H]1CCN(C1)c1cc(nc(N)n1)N1CCCC1 |r|
N[C@@H]1CCN(C1)c1ccnc(NC2CC2)n1 |r|
N[C@@H]1CCN(C1)c1ccnc(NC2CCOCC2)n1 |r|
N[C@@H]1CCN(C1)c1nc(N)nc-2c1CCCc1ccccc-21 |r|
N[C@@H]1CCN(C1)c1nc(N)nc2[nH]c(cc12)-c1ccc(F)cc1 |r|
N[C@@H]1CCN(C1)c1nc(N)nc2c1oc1ccc(Cl)cc21 |r|
N[C@@H]1CCN(C1)c1nc(N)nc2c1oc1ncc(Cl)cc21 |r|
N[C@@H]1CCN(C1)c1nc2ncc(Cl)cc2n2cnnc12 |r|
N[C@@H]1CCSC1=O |r|
N[C@@H]1C[C@@H]1c1cnc[nH]1
N[C@@H]1C[C@H]1c1cnc[nH]1
N[C@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@H](CCS(O)=O)C(O)=O |r|
N[C@H]1CCCN(C1)c1nc(N)nc2c1oc1ccc(Cl)c(Cl)c21 |r|
N[C@H]1CCCN(C1)c1nc(N)nc2c1oc1ccc(Cl)cc21 |r|
N[C@H]1CCCN(C1)c1nc(N)nc2c1oc1ccc(F)c(F)c21 |r|
N[C@H]1CCCN(C1)c1nc(N)nc2c1oc1ccc(cc21)C(F)(F)F |r|
N[C@H]1CCCN(C1)c1nc(N)nc2c1oc1cccc(Cl)c21 |r|
N[C@H]1CCCN(C1)c1nc(N)nc2c1oc1cccc(c21)C(F)(F)F |r|
N[C@H]1CCN(C1)c1cc(nc(N)n1)C1CCCC1 |r|
N[C@H]1CCN(C1)c1nc(N)nc2[nH]c(cc12)-c1ccc(F)cc1 |r|
N[C@H]1CCSC1=O |r|
N[C@H]1C[C@@H]1c1cnc[nH]1
N[C@H]1C[C@H]1c1cnc[nH]1
N\C(NC1CCc2nc(N)sc2C1)=N/C(=O)NCc1ccccc1
N\C(Nc1cccc(c1)-c1csc(N)n1)=N/C(=O)NC1CCCCC1
N\C(Nc1cccc(c1)-c1csc(N)n1)=N/C(=O)NCCc1ccccc1
N\C(Nc1cccc(c1)-c1csc(N)n1)=N/C(=O)NCc1ccccc1
N\C(Nc1cccc(c1)-c1csc(N)n1)=N/C(=O)Nc1ccccc1
N\C(SCCCc1cnc[nH]1)=N\CCc1ccc(I)cc1
Nc1cc(cc(NC2CCCC2)n1)C1CCNCC1
Nc1cc(cc(NC2CCCC2)n1)N1CCNCC1
Nc1cc(cc(OC2CCCC2)n1)C1CCNCC1
Nc1ccc(NCCc2ccc(OCCCN3CCCCC3)cc2)nc1
Nc1ccc(cc1)C(=O)NCCNC(NC#N)=NCCCOc1cccc(CN2CCCCC2)c1 |w:17.18|
Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1
Nc1nc(Cl)cc(NCCNc2cc(nc(N)n2)-c2ccccc2)n1
Nc1nc(N2CC3CCNC3C2)c2oc3ccc(Cl)cc3c2n1
Nc1nc(N2CC3CCNC3C2)c2oc3ncc(Cl)cc3c2n1
Nc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(CCN3CCOCC3)c2n1
Nc1nc(N2CCC(CC2)N2CCOCC2)c2ccn(CCN3CCOCC3)c2n1
Nc1nc(N2CCCNCC2)c2oc3ccc(Cl)cc3c2n1
Nc1nc(N2CCNCC2)c2CCC3=C([C@H]4CCCC[C@H]4O3)c2n1 |r,t:14|
Nc1nc(N2CCNCC2)c2CCCc3ccc(F)cc3-c2n1
Nc1nc(N2CCNCC2)c2CCCc3ccccc3-c2n1
Nc1nc(N2CCNCC2)c2CCc3ccccc3-c2n1
Nc1nc(N2CCNCC2)c2cc([nH]c2n1)-c1ccc(F)cc1
Nc1nc(N2CCNCC2)c2cc([nH]c2n1)-c1ccccc1
Nc1nc(N2CCNCC2)c2cc[nH]c2n1
Nc1nc(N2CCNCC2)c2ccc(cc2n1)-c1ccco1
Nc1nc(N2CCNCC2)c2ccn(Cc3ccccc3)c2n1
Nc1nc(N2CCNCC2)c2oc3c(Cl)cc(Cl)cc3c2n1
Nc1nc(N2CCNCC2)c2oc3ccc(Cl)c(Cl)c3c2n1
Nc1nc(N2CCNCC2)c2oc3ccc(Cl)cc3c2n1
Nc1nc(N2CCNCC2)c2oc3ccc(F)c(F)c3c2n1
Nc1nc(N2CCNCC2)c2oc3ccc(cc3c2n1)C(F)(F)F
Nc1nc(N2CCNCC2)c2oc3cccc(Cl)c3c2n1
Nc1nc(N2CCNCC2)c2oc3cccc(F)c3c2n1
Nc1nc(N2CCNCC2)c2oc3cccc(c3c2n1)C(F)(F)F
Nc1nc(N2CCNCC2)c2oc3ccccc3c2n1
Nc1nc(N2CCNCC2)c2oc3ncc(Cl)cc3c2n1
Nc1nc(N2CC[C@H](C2)NCCO)c2oc3ccc(Cl)cc3c2n1 |r|
Nc1nc(N2C[C@@H]3CCCN[C@@H]3C2)c2oc3ccc(Cl)cc3c2n1 |r|
Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3c(Cl)cc(Cl)cc3c2n1 |r|
Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3ccc(Cl)c(Cl)c3c2n1 |r|
Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3ccc(Cl)cc3c2n1 |r|
Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3ccc(F)c(F)c3c2n1 |r|
Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3ccc(cc3c2n1)C(F)(F)F |r|
Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3cccc(Cl)c3c2n1 |r|
Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3cccc(c3c2n1)C(F)(F)F |r|
Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3ccccc3c2n1 |r|
Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3ncc(Cl)cc3c2n1 |r|
Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3cc(Br)ccc3c2n1 |r|
Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3cc(Cl)ccc3c2n1 |r|
Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3cc(ccc3c2n1)C(F)(F)F |r|
Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3ccc(Br)cc3c2n1 |r|
Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3ccc(Cl)cc3c2n1 |r|
Nc1nc(N2C[C@H]3CCCN[C@H]3C2)c2oc3ccc(Cl)cc3c2n1 |r|
Nc1nc(N2C[C@H]3C[C@@H]2CN3)c2oc3ccc(Cl)cc3c2n1 |r|
Nc1nc(NC2CCCC2)cc(n1)C1CCNCC1
Nc1nc(NCCNc2cc(nc(N)n2)-c2ccccc2)cc(n1)-c1ccccc1
Nc1nc(NCCNc2ccncn2)cc(n1)-c1ccccc1
Nc1nc(N[C@H]2CCNC2)c2cc([nH]c2n1)-c1ccc(F)cc1 |r|
Nc1nc(cc(n1)-c1ccc(cc1)C#N)N1CCNCC1
Nc1nc(cc(n1)C1CCNCC1)C1CCCC1
Nc1nc(cc(n1)N1CC2CCCNC2C1)N1CCCC1
Nc1nc(cc(n1)N1CCC2(CCCN2)C1)C1CCCC1
Nc1nc(cc(n1)N1CCNCC1)C1CCCC1
Nc1nc(cc(n1)N1CCNCC1)N1CCCC1
Nc1nc-2c(Cc3ccc(OCCCN4CCCC4)cc-23)c(n1)-c1ccccc1
Nc1nc-2c(Cc3ccccc-23)c(n1)N1CCNCC1
Nc1nc2-c3cc(OCCCN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Nc1nc2C(CCCCc2c(n1)N1CC2CCCNC2C1)c1ccccc1
Nc1nc2C(CCCCc2c(n1)N1CCNCC1)c1ccccc1
Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Nc1nccc(NCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)n1
Nc1nccc(NCCNC(=O)c2cc3ccccc3[nH]2)n1
Nc1nccc(NCCNc2cc(nc(N)n2)-c2cccc(Cl)c2)n1
Nc1nccc(NCCNc2cc(nc(N)n2)-c2ccccc2)n1
Nc1nccc(NCCNc2ccnc(N)n2)n1
Nc1nccc(n1)N(Cc1cc[nH]n1)c1ccc(F)cc1OCC(F)(F)F
Nc1nccc(n1)N(Cc1cocn1)c1ccc(Br)cc1OC(F)(F)F
Nc1nccc(n1)N(Cc1cocn1)c1ccc(OC(F)(F)F)cc1C1CCC1
Nc1nccc(n1)N(Cc1cocn1)c1ccc(cc1C1CCC1)S(=O)(=O)C(F)(F)F
O.OC(=O)\C=C\C(O)=O.CCCNC1CN(C1)c1ccnc(N)n1
O=C(C1CC1)c1ccc(OCCCN2CCC(CC2)c2ccncc2)cc1
O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
O=C(C1CC1)c1ccc2nc(ccc2c1)N1CCN(CC1)C1CC1
O=C(C1CCNCC1)c1c[nH]cn1
O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
O=C(CCNC(=O)C(Cc1ccccc1)Cn1ccnc1)OCc1ccccc1
O=C(N1CCN(CC1)c1ccccc1)c1cc2ccccc2o1
O=C(N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cc2ccccc2[nH]1
O=C(N1CCN(CCc2ccccc2)CC1)c1cc2ccccc2[nH]1
O=C(N1CCNCC1)c1cc2ccccc2[nH]1
O=C(NCCC1CC1)OCCCc1c[nH]cn1
O=C(NCCC1CC1)OCCCc1cnc[nH]1
O=C(NCCC1CCCCC1)OCCCc1c[nH]cn1
O=C(NCCC1CCCCC1)OCCCc1cnc[nH]1
O=C(NCCCC1CCCCC1)OCCCc1c[nH]cn1
O=C(NCCCC1CCCCC1)OCCCc1cnc[nH]1
O=C(NCCCCC1CCCCC1)OCCCc1c[nH]cn1
O=C(NCCCCC1CCCCC1)OCCCc1cnc[nH]1
O=C(NCCCCN1Cc2cccc3cccc(C1)c23)c1ccc2ccccc2c1
O=C(NCCCCOc1ccccc1)OCCCc1c[nH]cn1
O=C(NCCCOc1ccccc1)OCCCc1c[nH]cn1
O=C(Nc1cccc2ccccc12)N1CCC(CC1)c1c[nH]cn1
O=C(\C=C\c1ccccc1)c1ccc(OCCCc2c[nH]cn2)cc1
O=C(c1ccccc1)c1ccc(OCCCCCN2CCCC2)cc1
O=C1NC(C(=O)N1CCCN1CCCCC1)(c1ccccc1)c1ccccc1
O=C1NC(C(=O)N1Cc1ccc(OCCCN2CCCCC2)cc1)(c1ccccc1)c1ccccc1
O=S1(=O)CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1
O=[#6]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1
OC(=O)C(Cc1cccc2ccccc12)NC(=O)[C@@H](CS)Cc1ccccc1 |r|
OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1nnc(C)s1)C1CCCCC1
OC(=O)C(F)(F)F.CCC(=O)N[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(\N)NCCCc1nnc(C)s1
OC(=O)C(F)(F)F.Cc1nnc(CCCN\C(N)=N\C(=O)NCc2ccccc2)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NC2CCNC2)n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NC2CCNCC2)n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCCN)n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCCc2c[nH]cn2)n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCN)n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCc2c[nH]cn2)n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCCN(CC1)C(N)=N
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCCNCC1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCN(CC1)C(N)=N
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@@H](N)C1 |r|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@H](C1)NC(N)=N |r|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CCCc1ccccc1)CNC(=O)\N=C(/N)NCC1CCc2nc(N)sc2C1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CCCc1ccccc1)CNC(=O)\N=C(/N)NCCCc1nnc(N)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CCCc1ccccc1)CNC(=O)\N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CCCc1ccccc1)CNC(=O)\N=C(/N)Nc1cccc(c1)-c1sc(N)nc1C
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCC1CCc2nc(N)sc2C1)Cc1ccc(C)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1cnc(N)s1)Cc1ccc(C)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1nnc(N)o1)Cc1ccc(C)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1nnc(N)s1)C1CCCCC1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1nnc(N)s1)Cc1ccc(C)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1oc(N)nc1C)C1CCCCC1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C)C1CCCCC1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C)Cc1ccc(C)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)Nc1cccc(c1)-c1sc(N)nc1C)Cc1ccc(C)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)o1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCC1CCc2nc(N)sc2C1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1cnc(N)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)Nc1cccc(c1)-c1sc(N)nc1C
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN1CCCN(CC1)c1ccnc(NCC(C)(C)C)n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN1CCN(CC1)c1ccnc(NCC(C)(C)C)n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@@H](NC(=O)\N=C(/N)NCCCc1c[nH]cn1)c1ccccc1 |r|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1[nH]cnc1CSCCNc1ccnc(NCC(C)(C)C)n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)oc1CCCN\C(N)=N\C(=O)NCc1ccccc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1-c1ccc(N\C(N)=N\C(=O)NC2CCCCC2)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1-c1ccc(N\C(N)=N\C(=O)NCc2ccccc2)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1-c1cccc(N\C(N)=N\C(=O)NCc2ccccc2)c1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nnc(CCCN\C(N)=N\C(=O)NCCCCCCCCN)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCC1CCc2nc(N)sc2C1)=N/C(=O)NCc1ccccc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCN(CCN)CC1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@@H](NC(=O)\N=C(/N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 |r|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1-c1ccc(N\C(N)=N\C(=O)NCCCCCCNC(=O)\N=C(/N)Nc2ccc(cc2)-c2sc(N)nc2C)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1-c1cccc(N\C(N)=N\C(=O)NCCCCCCNC(=O)\N=C(/N)Nc2cccc(c2)-c2sc(N)nc2C)c1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCCCCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]C([3H])([3H])N(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCN3CCc4nc[nH]c4C3)c(C)c2)cc1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCNCCc3c[nH]cn3)c(C)c2)cc1
OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCc3c[nH]cn3)c(C)c2)cc1
OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCc3c[nH]cn3)c(C)c2)cc1
OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCc3c[nH]cn3)c(C)c2)cc1
OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCc3c[nH]cn3)c(C)c2)cc1
OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCC1
OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCCC1
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
OC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C=O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
OC(CNC1CC1)Cn1c2ccccc2c2ccccc12
OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
S=C(NCCCCCc1cnc[nH]1)NC1CCCCC1
S=C(NCCCCc1c[nH]cn1)NCCc1ccccc1
S=C(NCCCCc1c[nH]cn1)NCc1ccccc1
S=C(NCCCCc1cnc[nH]1)NCCc1ccccc1
S=C(NCCCCc1cnc[nH]1)NCc1ccccc1
[#6]-[#6](-[#6])-[#7](-c1ccnc(-[#7])n1)-c1ccc(cc1\[#6]=[#6](/[#6])-[#6])S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-1
[#6]-[#6](-[#6]-[#6](-[#6])=[#7]\[#7+]=[#6](\[#7])-[#7])=[#7]\[#7+]=[#6](\[#7])-[#7] |w:5.5,10.10|
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7])nc(\[#6]=[#6](\[#6])-[#6])n1
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]-[#6]-c2cccnc-12
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6](=O)-[#6]-c2ccccc-12
[#6]-[#7]-[#6](-[#7]C#N)=[#7]-[#6]-[#6]-[#16]-[#6]-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |w:6.6|
[#6]-[#8]-[#6@@H]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 |r|
[#6]-[#8]-[#6@H]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 |r|
[#7]\[#6](-[#7])=[#7+]\[#6]-c1cccc(-[#6]\[#7+]=[#6](\[#7])-[#7])n1
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#16]-[#6](-[#7])=[#7]
[#7]\[#6](-[#7])=[#7]\c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](-[#7])=[#7]S([#7])(=O)=O)cs1 |w:13.13|
[#8]-[#6@@H]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 |r|
[#8]-[#6@H]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 |r|
[C-]#[N+]c1cnc2nc(N3CCNCC3)c3nncn3c2c1
[H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C)[C@]2([H])CC[C@]13[H] |r,t:14|
[H][C@@]1(Cc2c[nH]cn2)CCNC1
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
[H][C@@]12CN(C)C[C@]1([H])CN(C2)c1cc(nc(N)n1)C1CCCC1 |r|
[H][C@@]12CN(C[C@@]1([H])OCCN2)c1cc(nc(N)n1)C1CCCC1 |r|
[H][C@@]12CN(C[C@]1([H])NCCC2)c1cc(nc(N)n1)C1CCCC1 |r|
[H][C@@]12CNC[C@]1([H])CN(C2)c1cc(nc(N)n1)C1CCCC1 |r|
[H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
[H][C@]1(Cc2c[nH]cn2)CCNC1
[H][C@]1(Cc2ccccc2CN(CC(=O)OCC)C1=O)NC(=O)C(Cc1ccccc1)C(=O)NO |r|
[H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9|
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(c3ccc(cc3)-c3ccc(cc3)-n3ncccc3=O)[C@@]1([H])CN(C)C2 |r|
[H][C@]12CCN[C@@]1([H])CN(C2)c1cc(nc(N)n1)C1CCCC1 |r|
[H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r|
[H][C@]12CN(C[C@@]1([H])OCCN2)c1cc(nc(N)n1)C1CCCC1 |r|
[H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|
[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCOc3ccc(-c4nc5c(C)c(F)ccc5[nH]4)c(C)c3)c(C)c2)cc1
[O-]C(=O)C(F)(F)F.Cc1cc(OCCC[n+]2c(C)cc(\C=C\c3cc4CCCN5CCCc(c3)c45)cc2C)ccc1-c1nc2c(C)c(F)ccc2[nH]1
[O-][N+](=O)c1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1 |w:19.20|
[O-][N+](=O)c1cccc(c1)C(OCCCc1c[nH]cn1)c1ccccc1