1098 SMILES Strings for Steroid 17-alpha-hydroxylase/17,20 lyase

Compound Name
SMILES String
C1CC(=Cc2cnc[nH]2)c2ccccc2C1 |w:3.3|
C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11|
N#Cc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:10.10|
N#Cc1ccc2C(CCCc2c1)=Cc1cnc[nH]1 |w:12.14|
N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13|
Clc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:9.9|
Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
N#Cc1ccc(cc1)C1CCCc2cncn12
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
C1C(=Cc2ccccc12)c1cccnc1 |c:1|
C1Cc2ccccc2C=C1c1cccnc1 |c:9|
COc1ccc2CC(=Cc2c1)c1cccnc1 |c:7|
COc1ccc2C=C(CCc2c1)c1cccnc1 |c:6|
CC1=C(CCc2ccccc12)c1cccnc1 |t:1|
CCC1=C(CCc2ccccc12)c1cccnc1 |t:2|
CC1Cc2ccccc2C=C1c1cccnc1 |c:10|
CC1CC(=Cc2ccccc12)c1cccnc1 |c:3|
N#Cc1ccc2cc(ccc2c1)-c1cccnc1
COc1ccc2c(Cl)c(ccc2c1Cl)-c1cccnc1
COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
COc1ccc2cc(ccc2c1)-c1cccnc1
COc1ccc2C(=O)C(CCc2c1)=Cc1cnc[nH]1 |w:13.15|
COc1ccc2C(=O)C(Cc3cnc[nH]3)CCc2c1
COc1ccc2C(C)=C(Cc3cnc[nH]3)CCc2c1 |t:7|
CC1=C(Cc2cnc[nH]2)CCc2cc(O)ccc12 |c:1|
COc1cc2CCC(Cc3cnc[nH]3)=C(C)c2cc1O |t:14|
CC1=C(Cc2cnc[nH]2)CCc2cc(O)c(O)cc12 |c:1|
COc1ccc2c(CCC3(Cc4cnc[nH]4)OC23C)c1
Cc1c(Cc2cnc[nH]2)ccc2cc(O)ccc12
Oc1ccc2C(=O)C(CCc2c1)=Cc1cnc[nH]1 |w:12.14|
COc1cc2CCC(=Cc3cnc[nH]3)C(=O)c2cc1OC |w:8.8|
COc1cc2CCC(=Cc3cnc[nH]3)C(=O)c2cc1O |w:8.8|
COc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1OC
COc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1O
COc1cc2CCC(Cc3cnc[nH]3)=C(C)c2cc1OC |t:14|
Oc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1O
COc1cccc(c1)-c1ccc(Cn2ccnc2)cc1
Oc1cccc(c1)-c1ccc(Cn2ccnc2)cc1
Oc1ccc(O)c(c1)-c1ccc(Cn2ccnc2)cc1
Oc1ccc(cc1O)-c1ccc(Cn2ccnc2)cc1
Oc1ccc(c(O)c1O)-c1ccc(Cn2ccnc2)cc1
Oc1cc(cc(O)c1O)-c1ccc(Cn2ccnc2)cc1
COc1ccc(OC)c(c1)-c1ccc(Cn2ccnc2)cc1
COc1ccc(cc1OC)-c1ccc(Cn2ccnc2)cc1
COc1ccc(c(OC)c1OC)-c1ccc(Cn2ccnc2)cc1
COc1cc(cc(OC)c1OC)-c1ccc(Cn2ccnc2)cc1
Cc1ncc2C(c3ccccc3-c2n1)n1ccnc1
O=C1c2ccccc2-c2nnc(Cn3ccnc3)cc12
c1cn(cn1)C1(c2ccccc2-c2ccccc12)c1ccccc1
c1nncn1C1(c2ccccc2-c2ccccc12)c1ccccc1
c1cn(nn1)C1(c2ccccc2-c2ccccc12)c1ccccc1
c1ncn(n1)C1(c2ccccc2-c2ccccc12)c1ccccc1
COc1ccc2cc(Cn3ccnc3)c(=O)oc2c1
O=c1cc(Cn2ccnc2)c2ccccc2o1
COc1ccc2c(Cn3ccnc3)cc(=O)oc2c1
COc1ccc2c(Cn3cncn3)cc(=O)oc2c1
O=c1cc(OCCn2ccnc2)c2ccccc2o1
O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1
COc1cc(Cn2ccnc2)c2ccc(=O)oc2c1
O=c1ccc2cc(Cn3ccnc3)ccc2o1
O=c1ccc2ccc(Cn3ccnc3)cc2o1
O=c1ccc2ccc(Cn3cncn3)cc2o1
O=c1ccc2ccc(OCCn3ccnc3)cc2o1
COc1ccc2ccc(=O)oc2c1Cn1ccnc1
O=c1oc2ccccc2c(Cn2ccnc2)c1-c1ccccc1
COc1ccc2c(-c3ccccc3)c(Cn3ccnc3)c(=O)oc2c1
COc1ccc2c(cc(=O)oc2c1)-c1ccncc1
O=c1cc(Cn2ccnc2)c2ccc(OCc3ccccc3)cc2o1
S=c1ccc2cc(Cn3ccnc3)ccc2o1
O=c1c(coc2ccccc12)[C@@H](c1ccc(cc1)N(=O)=O)n1ccnc1 |r|
O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)N(=O)=O)n1ccnc1 |r|
Brc1ccc(cc1)[C@H](c1coc2ccccc2c1=O)n1ccnc1 |r|
Brc1ccc(cc1)[C@@H](c1coc2ccccc2c1=O)n1ccnc1 |r|
O=c1c(coc2ccccc12)[C@@H](c1ccc(cc1)C#N)n1ccnc1 |r|
O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)C#N)n1ccnc1 |r|
c1cc(ccc1C#N)[C@@H]2CCCc3n2cnc3
OC1(CCc2cc(ccc12)-c1ccc(F)cc1)c1cccnc1
OC1(CCc2cc(ccc12)-c1ccc(F)cc1)c1ccncc1
COc1ccc(cc1)-c1ccc2c(CCC2(O)c2ccncc2)c1
COc1ccc(cc1F)-c1ccc2c(CCC2(O)c2ccncc2)c1
OC1(CCCc2cc(ccc12)-c1ccc(F)cc1)c1ccncc1
OC1(CCCc2cc(ccc12)-c1ccc(F)c(F)c1)c1ccncc1
COc1ccc(cc1F)-c1ccc2c(CCCC2(O)c2ccncc2)c1
Fc1ccc(cc1)-c1ccc2C(=CCc2c1)c1cccnc1 |c:12|
Fc1ccc(cc1)-c1ccc2C(=CCc2c1)c1ccncc1 |c:12|
COc1ccc(cc1)-c1ccc2C(=CCc2c1)c1ccncc1 |c:13|
Fc1ccc(cc1)-c1ccc2C(=CCCc2c1)c1ccncc1 |c:12|
Fc1ccc(cc1F)-c1ccc2C(=CCCc2c1)c1ccncc1 |c:13|
Oc1ccc(cc1O)-c1ccc2C(=CCCc2c1)c1ccncc1 |c:13|
Oc1ccc(cc1F)-c1ccc2C(=CCCc2c1)c1ccncc1 |c:13|
Fc1ccc(cc1)-c1ccc2C(CCc2c1)c1cccnc1
Fc1ccc(cc1)-c1ccc2C(CCc2c1)c1ccncc1
Fc1ccc(cc1)-c1ccc2C(CCCc2c1)c1ccncc1
Fc1ccc(cc1F)-c1ccc2C(CCCc2c1)c1ccncc1
Oc1ccc(cc1O)-c1ccc2C(CCCc2c1)c1ccncc1
Oc1ccc(cc1F)-c1ccc2C(CCCc2c1)c1ccncc1
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 |c:21,t:7|
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1cnn[nH]1
COc1cc2cnc(cc2cc1OC)C(O)(C(C)C)c1cnn[nH]1
CC(C)C(O)(c1cnn[nH]1)c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1
CC(C)C(O)(c1cnn[nH]1)c1ccc2cc(ccc2c1)-c1cnco1
O=C1N(CCN1c1ccc2ccccc2c1)c1cccnc1
O=C1N(CCN1c1ccc2ncsc2c1)c1cccnc1
Cc1ccncc1N1CCN(C1=O)c1ccc2ccccc2c1
Cc1ccc(s1)N1CCN(C1=O)c1cnccc1C
Cc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Cc1ccncc1N1CCN(C1=O)c1ccc(F)cc1
Cc1ccncc1N1CCN(C1=O)c1cnc2ccccc2c1
Cc1ccncc1N1CCN(C1=O)c1cc2ccccc2s1
Cc1ccncc1N1CCN(C1=O)c1ccc2sccc2c1
Cc1ccncc1N1CCN(C1=O)c1ccc2[nH]ncc2c1
Cc1coc2ccc(cc12)N1CCN(C1=O)c1cnccc1C
Cc1ccncc1N1CCN(C1=O)c1ccsc1
Cc1ccncc1N1CCN(C1=O)c1ccc(Cl)cc1
Cc1ccncc1N1CCN(C1=O)c1ccc(Cl)s1
Cc1ccncc1N1CCN(C1=O)c1ccc(F)c(F)c1
Cc1ccncc1N1CCN(C1=O)c1ccc(F)c(Cl)c1
Cc1ccncc1N1CCN(C1=O)c1ccc2OCCOc2c1
Cc1ccncc1N1CCN(C1=O)c1ccc(cc1)C(F)(F)F
Cc1ccncc1N1CCN(C1=O)c1ccc2OCCc2c1
Cc1ccncc1N1CCN(C1=O)c1ccc2ncccc2c1
COc1ccc(cc1F)N1CCN(C1=O)c1cnccc1C
Cc1ccncc1N1CCN(C1=O)c1ccc(Cl)c(F)c1
Cc1cccc(c1)N1CCN(C1=O)c1cnccc1C
COc1cccc(c1)N1CCN(C1=O)c1cnccc1C
Cc1ccncc1N1CCN(C1=O)c1ccnc(Cl)c1
Cc1ccncc1N1CCN(C1=O)c1ccc(F)c(C)c1
Cc1ccncc1N1CCN(C1=O)c1ccc2scnc2c1
Cc1ccncc1N1CCN(C1=O)c1ccc2OC(F)(F)Oc2c1
Cc1ccncc1N1CCN(C1=O)c1ccccc1
Cc1ccncc1N1CCN(C1=O)c1cccc(c1)C(F)(F)F
COc1cc(ccn1)N1CCN(C1=O)c1cnccc1C
Cc1ccncc1N1CCN(C1=O)c1ccn2ccnc2c1
COc1cc(ccc1F)N1CCN(C1=O)c1cnccc1C
CC(=O)Nc1ccc(cn1)N1CCN(C1=O)c1cnccc1C
Cc1ccncc1N1CCN(C1=O)c1ccnc(N)c1
Cc1ccncc1N1CCN(C1=O)c1ccc2nccnc2c1
Cc1ccncc1N1CCN(C1=O)c1csc(c1)C(F)F
Clc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Cc1ccncc1N1CCN(C1=O)c1ccnc(c1)N1CCCC1
Cc1ccncc1N1CCN(C1=O)c1cccc(Cl)c1F
Cc1ccncc1N1CCN(C1=O)c1ccc(cc1)-c1ccc(F)cc1
Cc1ccncc1N1CCN(C1=O)c1cccc(Cl)c1
Cc1ccncc1N1CCN(C1=O)c1ccc(Cl)cc1C
Cc1ccncc1N1CCN(C1=O)c1ccc(F)c(c1)C(F)(F)F
Cc1ccncc1N1CCN(C1=O)c1ccc(F)c(c1)C(F)F
Cc1ccncc1-n1ccn(-c2ccc(F)c(c2)C(F)F)c1=O
Cc1cc(cs1)-n1ccn(-c2cnccc2C)c1=O
Cc1cc(cs1)N1CCN(C1=O)c1cnccc1C
Cc1nc2cc(ccc2o1)N1CCN(C1=O)c1cnccc1C
Cc1ccncc1N1CCN(C1=O)c1ccc2nccn2c1
Cc1n[nH]c2ccc(cc12)N1CCN(C1=O)c1cnccc1C
CC(=O)Nc1cc(ccn1)N1CCN(C1=O)c1cnccc1C
COc1nccc2sc(cc12)N1CCN(C1=O)c1cnccc1C
Cc1ccncc1N1CCN(C1=O)c1cc2c(Cl)nccc2s1
Cc1ccncc1N1CCN(C1=O)c1csc2ccnc(Cl)c12
Cc1cc(ccn1)N1CCN(C1=O)c1cnccc1C
Cc1noc2ccc(cc12)N1CCN(C1=O)c1cnccc1C
Cc1n[nH]c2cc(ccc12)N1CCN(C1=O)c1cnccc1C
Cc1ccncc1N1CCN(C1=O)c1ccc(F)c(c1)C#N
Cc1cn2cc(ccc2n1)N1CCN(C1=O)c1cnccc1C
Cc1nc2ccc(cc2s1)N1CCN(C1=O)c1cnccc1C
Cc1ccncc1N1CCN(C1=O)c1cccc(c1)C#N
Cc1ccncc1N1CCN(C1=O)c1c[nH]c2ccccc12
Cc1ccncc1N1CCN(C1=O)c1ccc2[nH]cnc2c1
Cc1ccncc1N1CCN(C1=O)c1csc2ccccc12
COc1nccc2scc(N3CCN(C3=O)c3cnccc3C)c12
Cc1noc2cc(ccc12)N1CCN(C1=O)c1cnccc1C
Cc1ccncc1N1CCN(C1=O)c1ccc(C#N)c(Cl)c1
Cc1ccncc1N1CCN(C1=O)c1ccc2oncc2c1
Cc1ccncc1N1CCN(C1=O)c1ccc2n(C)ncc2c1
Cc1ccncc1N1CCN(C1=O)c1cc2ccccc2n1C
Cc1ccncc1N1CCN(C1=O)c1ccc2n(C)cnc2c1
Cc1ccncc1N1CCN(C1=O)c1ccc2[nH][nH]c(=O)c2c1
Cc1ccncc1N1CCN(C1=O)c1ccc2[nH]nc(N)c2c1
Cc1ccncc1N1CCN(C1=O)c1cnc2ccccn12
Cc1ccncc1N1CCN(C1=O)c1cc2cnccc2s1
Cc1ccncc1N1CCN(C1=O)c1ccc2cn[nH]c2c1
Cc1ccncc1N1CCN(C1=O)c1cnc2[nH]cnc2c1
Cc1ccncc1N1CCN(C1=O)c1ccc2c(N)n[nH]c2c1
COc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
FC(F)c1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
OCc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Cc1ccc(cn1)N1CCN(C1=O)c1ccc2ncsc2c1
FC(F)(F)c1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
O=C1N(CCN1c1cnccc1C#N)c1ccc2ncsc2c1
Cc1ccncc1N1CCCN(C1=O)c1ccc2ccccc2c1
Cc1cccc(c1)N1CCN(C1=O)c1cnccc1C(F)(F)F
Cc1ccncc1N1CCN(C1=O)c1ccc2nn(C)cc2c1
Cc1ccncc1N1CCN(C1=O)c1cccc2ccccc12
Cc1ccncc1N1CCN(C1=O)c1ccc2n(C)ccc2c1
Cc1ccncc1N1CCN(C1=O)c1ccc2c(c1)[nH][nH]c2=O
Cc1ccncc1N1CCN(C1=O)c1csc2ccncc12
Cc1ccncc1N1CCN(C1=O)c1cn(C)c2ccc(Cl)cc12
Cc1ccncc1N1CCN(C1=O)c1ccc2CCCc2c1
Cc1ccncc1-n1ccn(-c2ccc3sccc3c2)c1=O
Cc1ccncc1N1CCN(C1=O)c1ccc(C#N)c(F)c1
Cc1ccncc1N1CCN(C1=O)c1ccc2[nH]nnc2c1
Cc1ccncc1-n1ccn(-c2ccc3ncsc3c2)c1=O
Cc1ccncc1N1CCN(C1=O)c1ccc2c(N)nn(C)c2c1
Cc1ccncc1N1CCN(C1=O)c1ccc2cc[nH]c2c1
Cc1ccncc1N1CCN(C1=O)c1ccn2c(Cl)cnc2c1
Cc1ccncc1N1CCN(C1=O)c1cn(C)c2cccc(C#N)c12
Cc1ccncc1N1CCN(C1=O)c1ccc2N(CO)C(=O)C(C)(C)c2c1
Cc1ccncc1N1CCN(C1=O)c1ccnc(c1)C(F)(F)F
COC(OC)c1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
CC(=O)Nc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Cc1c(Cl)cncc1N1CCN(C1=O)c1ccc2ncsc2c1
Nc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Cc1c(cncc1C(F)(F)F)N1CCN(C1=O)c1ccc2ncsc2c1
Cc1ccncc1N1CCN(C1=O)c1cnsc1
Cc1ccncc1N1CCN(C1=O)c1ccc(s1)C(F)(F)F
CC(C)(O)c1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Cc1ccncc1N1CCN(C1=O)c1cc2c(C)nccc2s1
CC(O)c1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
CCc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Cc1ccncc1N1CCN(C1=O)c1ccc2c(n[nH]c2c1)C(F)(F)F
Cc1ccncc1N1CCN(C1=O)c1ccc2c(n[nH]c2c1)C1CC1
Cc1ccncc1N1CCN(C1=O)c1ccc2cccnc2c1
Cc1ccncc1N1CC(C)(C)N(C1=O)c1ccc2ncsc2c1
CC1(C)CN(C(=O)N1c1cccnc1)c1ccc2ncsc2c1
Cc1ccncc1N1C(=O)N(CC1(C)C)c1ccc2ncsc2c1
CC1CN(C(=O)N1c1ccc2ncsc2c1)c1cnccc1C
CC1CN(C(=O)N1c1cnccc1C)c1ccc2ncsc2c1
CCc1cn(-c2ccc3ncsc3c2)c(=O)n1-c1cnccc1C |(.26,-4.97,;1.35,-3.88,;.95,-2.39,;-.51,-1.92,;-.51,-.38,;-1.6,.71,;-1.2,2.2,;-2.29,3.29,;-3.78,2.89,;-5.07,3.73,;-6.27,2.76,;-5.72,1.32,;-4.18,1.4,;-3.09,.31,;.95,.1,;1.72,1.43,;1.86,-1.15,;3.19,-.38,;3.96,.96,;5.5,.96,;6.27,-.38,;5.5,-1.71,;3.96,-1.71,;3.19,-3.05,)|
Cc1ccncc1N1CC(N(C1=O)c1ccc2ncsc2c1)C(F)(F)F
CC1C(N(C(=O)N1c1cnccc1C)c1ccc2ncsc2c1)C(F)(F)F
O=C1N(CCN1c1cnccc1CN1CCCC1)c1ccc2ncsc2c1
O=C1N(CCN1c1cnccc1CN1CCOCC1)c1ccc2ncsc2c1
O=C1N(CCN1c1cnccc1CNC1CC1)c1ccc2ncsc2c1
CN1CCC[C@H]1COc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1 |r|
Cc1cc(NCc2ccncc2N2CCN(C2=O)c2ccc3ncsc3c2)n[nH]1
O=C1N(CCN1c1cnc2[nH]cnc2c1)c1ccc2ncsc2c1
CN1CCC(COc2ccncc2N2CCN(C2=O)c2ccc3ncsc3c2)CC1
NC(=O)c1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
O=C1N(CCN1c1cncc2nccn12)c1ccc2ncsc2c1
O=C1N(CCN1c1cnc2[nH]ccc2c1)c1ccc2ncsc2c1
Cn1cncc1N1CCN(C1=O)c1ccc2ncsc2c1
O=C1N(CCN1c1ccccn1)c1ccc2ncsc2c1
Cc1c(sc2ccc(F)cc12)N1CCN(C1=O)c1cccnc1
O=C1N(CCN1c1ccc2sccc2c1)c1cccnc1
Cc1cc(Cl)nc2ccc(cc12)N1CCN(C1=O)c1cccnc1
CCN1C(=O)CCc2cc(ccc12)N1CCN(C1=O)c1cnccc1C
Cc1ccncc1N1CCN(C1=O)c1ccc(cc1)-c1ccccc1
CCn1c2ccc(cc2c(C)cc1=O)N1CCN(C1=O)c1cnccc1C
Cc1ccncc1N1CCN(C1=O)c1ccc2nc(Cl)cc(C)c2c1
Cc1ccncc1N1CCN(C1=O)c1ccc2ccccc2n1
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
Cc1cc(NS(C)(=O)=O)ccc1-c1cnccc1-c1ccccc1
Cc1ccncc1-c1ccc(NS(C)(=O)=O)cc1OCC(F)F
Cc1ccncc1-c1ccc(NS(C)(=O)=O)cc1OCC(F)(F)F
COc1cc(NS(C)(=O)=O)ccc1-c1cncc2ccccc12
COc1cc(NS(=O)(=O)c2ccccc2)ccc1-c1cncc2ccccc12
COc1cc(NS(=O)(=O)c2cccc3ccccc23)ccc1-c1cncc2ccccc12
COc1ccc(cc1)S(=O)(=O)Nc1ccc(c(OC)c1)-c1cncc2ccccc12
COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1-c1cncc2ccccc12
CCS(=O)(=O)Nc1ccc(c(OC)c1)-c1cncc2ccccc12
COc1cc(NS(=O)(=O)c2cn(C)c(C)n2)ccc1-c1cncc2ccccc12
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cncc2ccccc12
COc1cc(NS(=O)(=O)c2ccccn2)ccc1-c1cncc2ccccc12
COc1cc(NS(C)(=O)=O)ccc1-c1cncnc1C
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cncnc1C
CCCS(=O)(=O)Nc1ccc(c(OC)c1)-c1cncnc1C
COc1cc(NS(=O)(=O)CC(C)C)ccc1-c1cncnc1C
COc1cc(NS(=O)(=O)c2ccccc2)ccc1-c1cncnc1C
COc1cc(NS(=O)(=O)c2cccnc2)ccc1-c1cncnc1C
COc1cc(NS(=O)(=O)CC(F)(F)F)ccc1-c1cncnc1C
COc1cc(NS(=O)(=O)Cc2ccccc2)ccc1-c1cncnc1C
COc1cc(NS(=O)(=O)CCc2ccccc2)ccc1-c1cncnc1C
COc1ccc(cc1)S(=O)(=O)Nc1ccc(c(OC)c1)-c1cncnc1C
COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1-c1cncnc1C
COc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)ccc1-c1cncnc1C
COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1-c1cncnc1C
COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1-c1cncnc1C
Cc1ccncc1-c1ccc(NS(=O)(=O)C2CC2)cc1OCC(F)(F)F
Cc1cc(NS(C)(=O)=O)ccc1-c1cnccc1Cl
Cc1cc(NS(C)(=O)=O)ccc1-c1cnccc1OCC(F)(F)F
COc1cc(NS(C)(=O)=O)ccc1-c1cnccc1C
CCc1ncncc1-c1ccc(NS(C)(=O)=O)cc1OC
COc1cc(NS(C)(=O)=O)ccc1-c1cncnc1C(C)C
COc1cc(NS(C)(=O)=O)ccc1-c1cncnc1C1CCCCC1
COc1cc(NS(C)(=O)=O)ccc1-c1cnccc1C1CC1
CS(=O)(=O)Nc1ccc(c(OC(F)(F)F)c1)-c1cncc2ccccc12
CS(=O)(=O)Nc1ccc(c(OCC(F)(F)F)c1)-c1cncc2ccccc12
COc1ccncc1-c1ccc(NS(C)(=O)=O)cc1OCC(F)(F)F
CS(=O)(=O)Nc1ccc(c(OCCF)c1)-c1cncc2ccccc12
CS(=O)(=O)Nc1ccc(c(OCCF)c1)-c1cnccc1Cl
CS(=O)(=O)Nc1ccc(c(OCCF)c1)-c1cncc2ncccc12
Cc1ccncc1-c1ccc(NS(C)(=O)=O)cc1C(F)(F)F
CS(=O)(=O)Nc1ccc(-c2cncc3ccccc23)c(c1)C(F)(F)F
CS(=O)(=O)Nc1ccc(-c2cnccc2C2CC2)c(c1)C(F)(F)F
COc1cc(NS(C)(=O)=O)ccc1-c1cncnc1OC
COc1cc(NS(C)(=O)=O)ccc1-c1cncn2cccc12
Cc1ccncc1-c1cccc2c(noc12)-c1ccccc1
Cc1ncncc1-c1cccc2c(noc12)-c1ccccc1
Cc1ccncc1-c1cccc2c(noc12)-c1ccc(F)cc1
Fc1ccc(cc1)-c1noc2c(cccc12)-c1cncn2cccc12
FC(F)(F)COc1ncncc1-c1cccc2c(noc12)-c1cnccn1
Clc1ccncc1-c1cccc2c(noc12)C1CC1
Clc1ccccc1-c1noc2c(cccc12)-c1cncnc1-n1cncn1
Clc1ccccc1-c1noc2c(cccc12)-c1cncnc1-n1nccn1
COCCOc1noc2c(cccc12)-c1cnccc1C
Cc1ccncc1-c1ccnc2c(noc12)-c1ccc(F)cc1
Cc1ccncc1-c1ccnc2c(csc12)-c1nccs1
Cc1ncncc1-c1ccnc2c(csc12)-c1ccc(F)cc1
Fc1ccc(cc1)-c1csc2c(ccnc12)-c1cncnc1C1CC1
Nc1ncncc1-c1ccnc2c(csc12)-c1ccc(F)cc1Cl
Fc1ccc(cc1)-c1csc2c(cccc12)-c1cncc2ccccc12
Cc1ccncc1-c1cccc2c(OCc3ccc4ccccc4c3)noc12
Cc1ccncc1-c1cccc2c(OCc3ccc(Cl)cc3)noc12
COc1ccc(COc2noc3c(cccc23)-c2cnccc2C)cc1
CC(C)C(O)c1ccc2cc(OCC(F)(F)F)ccc2c1
CC(C)C(c1ccc2cc(OCC(F)(F)F)ccc2c1)n1ncnn1
COc1cc2ccc(cc2cc1OC)C(C(C)C)n1ncnn1
CC(C)C(c1ccc2cc(OC(F)F)ccc2c1)n1ncnn1
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
Clc1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
FC(F)(F)c1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
O=C1N(CCN1c1cnccc1C1CC1)c1ccc2ccccc2c1
O=C1N(CCN1c1cnccc1C1CC1)c1ccc2sccc2c1
FC(F)(F)c1cccc(c1)N1CCN(C1=O)c1cnccc1C1CC1
O=C1N(CCN1c1cnccc1C1CC1)c1cc2ccccc2s1
Cc1nc(Cl)cc(n1)N1CCN(C1=O)c1cnccc1C1CC1
FC(F)(F)c1ccnc(c1)N1CCN(C1=O)c1cnccc1C1CC1
COc1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
Clc1cc(ncn1)N1CCN(C1=O)c1cnccc1C1CC1
FC(F)(F)c1nccc(n1)N1CCN(C1=O)c1cnccc1C1CC1
FC(F)(F)c1csc2ccc(cc12)N1CCN(C1=O)c1cnccc1C1CC1
Fc1cc2cc(ccc2s1)N1CCN(C1=O)c1cnccc1C1CC1
Cc1csc2ccc(cc12)N1CCN(C1=O)c1cnccc1C1CC1
O=C1N(CCN1c1cnccc1C1CC1)c1ccc2ccsc2c1
FC1(F)Oc2ccc(cc2O1)N1CCN(C1=O)c1cnccc1C1CC1
Cc1csc2cc(ccc12)N1CCN(C1=O)c1cnccc1C1CC1
Cc1coc2ccc(cc12)N1CCN(C1=O)c1cnccc1C1CC1
Clc1cc2cc(ccc2s1)N1CCN(C1=O)c1cnccc1C1CC1
O=C1N(CCN1c1cnccc1C1CC1)c1ccc2CCCc2c1
Fc1ccc2sc(cc2c1)N1CCN(C1=O)c1cnccc1C1CC1
FC(F)(F)c1csc2cc(ccc12)N1CCN(C1=O)c1cnccc1C1CC1
Cc1c(F)sc2ccc(cc12)N1CCN(C1=O)c1cnccc1C1CC1
Fc1cc2ccc(cc2s1)N1CCN(C1=O)c1cnccc1C1CC1
Fc1cc(cc2sccc12)N1CCN(C1=O)c1cnccc1C1CC1
Fc1cc2ccsc2cc1N1CCN(C1=O)c1cnccc1C1CC1
Fc1cc2sccc2cc1N1CCN(C1=O)c1cnccc1C1CC1
Clc1cc(ccn1)N1[C@@H]2C[C@@H]2N(C1=O)c1cnccc1C1CC1
Clc1cc(ccn1)N1[C@H]2C[C@H]2N(C1=O)c1cnccc1C1CC1
COc1cc(ccn1)N1[C@@H]2C[C@@H]2N(C1=O)c1cnccc1C1CC1
COc1cc(ccn1)N1[C@H]2C[C@H]2N(C1=O)c1cnccc1C1CC1
FC(F)(F)c1cc(ccn1)N1[C@@H]2C[C@@H]2N(C1=O)c1cnccc1C1CC1
FC(F)(F)c1cc(ccn1)N1[C@H]2C[C@H]2N(C1=O)c1cnccc1C1CC1
OC1(CCC1)c1ccncc1N1CCN(C1=O)c1ccnc(Cl)c1
Clc1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CCCC1
OC1(CCCC1)c1ccncc1N1CCN(C1=O)c1ccnc(Cl)c1
OC1(CC1)c1ccncc1N1CCN(C1=O)c1cccc(c1)C(F)(F)F
FC(F)(F)c1cc(cc(Cl)n1)N1CCN(C1=O)c1cnccc1C1CC1
O=C1N(CCN1c1cnccc1C1CC1)c1cc(ncn1)C1CC1
O=C1N(CCN1c1cnccc1C1CC1)c1ccnc(c1)C1CC1
COc1cc(ncn1)N1CCN(C1=O)c1cnccc1C1CC1
Cc1cc(ncn1)N1CCN(C1=O)c1cnccc1C1CC1
Cc1cc(ncc1F)N1CCN(C1=O)c1cnccc1C1CC1
O=C1N(CCN1c1cnccc1C1CC1)c1ccnc(n1)C1CC1
Cc1nccc(n1)N1CCN(C1=O)c1cnccc1C1CC1
FC(F)(F)c1nc(Cl)cc(n1)N1CCN(C1=O)c1cnccc1C1CC1
Clc1cc(cc(Cl)n1)N1CCN(C1=O)c1cnccc1C1CC1
Clc1cc(cc(n1)C1CC1)N1CCN(C1=O)c1cnccc1C1CC1
FC(F)(F)c1cc(cc(n1)C1CC1)N1CCN(C1=O)c1cnccc1C1CC1
FC(F)(F)c1cc(cc(n1)C(F)(F)F)N1CCN(C1=O)c1cnccc1C1CC1
Cc1ccncc1-c1cccc2n(cnc12)-c1ccccn1
Cc1ccncc1-c1cccc2n(cnc12)-c1cnccn1
Cc1ccncc1-c1cccc2n(cnc12)-c1cccnn1
Cc1ccncc1-c1cccc2n(cnc12)-c1cccc(n1)C(F)(F)F
Cc1ccncc1-c1cccc2n(cnc12)-c1cccc(F)n1
Cc1ccncc1-c1cccc2n(cnc12)-c1ncc(F)cc1F
Cc1ccncc1-c1cccc2n(cnc12)-c1ccncn1
Cc1ccncc1-c1cccc2n(cnc12)-c1ccncc1
Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12
Cc1ccncc1-c1cccc2n(CC#N)cnc12
Cc1ccncc1-c1cccc2n(cnc12)C1CC1
FC(F)(F)Cn1cnc2c(cccc12)-c1cnccc1Cl
Nc1ncncc1-c1cccc2n(CC(F)(F)F)cnc12
CCOc1ncncc1-c1cccc2n(CC(F)(F)F)cnc12
Nc1ncncc1-c1cccc2n(cnc12)-c1ccc(F)cc1F
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1cncs1
Cc1ccncc1-c1ccnn2c(cnc12)-c1ccccc1
CC(=O)c1ccccc1-c1cnc2c(ccnn12)-c1cnccc1C
Cc1ccncc1-c1ccnn2c(cnc12)-c1ccc(F)cc1
Cc1cccc(c1)-c1cnc2c(ccnn12)-c1cnccc1C
Cc1ccncc1-c1ccnn2c(cnc12)-c1cccc(Cl)c1
Fc1ccc(cc1)-c1cnc2c(ccnn12)-c1cccnc1
Cc1ccncc1-c1ccnn2c(cnc12)-c1cc(Cl)cc(Cl)c1
Cc1ccncc1-c1ccnn2c(cnc12)-c1cccs1
Cc1ccncc1-c1ccnn2c(cnc12)-c1cccc(c1)C(F)(F)F
Cc1cc(C)cc(c1)-c1cnc2c(ccnn12)-c1cnccc1C
Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncc2ccccc12
Fc1ccc(cc1)-n1ncc2c(ccnc12)-n1ccnc1
Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncc2ncccc12
Cn1cncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1
NS(=O)(=O)c1cccc(c1)-n1ncc2c(ccnc12)-c1cncc2ncccc12
Cn1cncc1-c1ccnc2n(ncc12)-c1cccc(c1)S(N)(=O)=O
NS(=O)(=O)c1cccc(c1)-n1ncc2c(ccnc12)-c1cncc2ccccc12
Fc1ccc(c(F)c1)-n1ncc2c(ccnc12)-c1cncn2cccc12
CC(C)(CNC(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1)C(O)=O |r,c:18|
CN(CCC(O)=O)C(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20|
C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(=O)NCC(O)=O)[C@@H]1CC=C2c1cncc(F)c1 |r,c:26|
CN(C)CCOc1noc2c(cccc12)-c1cnccc1C
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4n5cnc6c5cccc6)C)O
CNC(=O)c1ccc2cc(ccc2c1)[C@]3(CCn4c3cnc4)O
C[C@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]44C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 |r,c:23|
CC(=O)N1CC[C@H]2[C@@H]3CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@H]12 |r,t:9|
C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 |r,c:22|
C[C@]12CC[C@H]3[C@@H](CC(=O)N[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 |r,c:23|
C[C@]12CC[C@H]3[C@@H](Cc4nnnn4[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 |r,c:26|
CN[C@H]1C[C@H]2[C@@H]3CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)CC12 |r,t:7|
C[C@]12CC[C@@H](C[C@@H]1/C(=N/O)/C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O
C[C@]12CC[C@H]3[C@@H](C=C(C#N)C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 |r,c:23,t:6|
C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C#N)O
C[C@]12CC[C@H]3[C@@H](CC(=C4C[C@@H](O)CC[C@]34C)[N+]([O-])=O)[C@@H]1CC=C2c1cccnc1 |r,c:24,t:7|
C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C(=O)N)O
NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(Cn3ccnc3)c2)cc1
CS(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(Cn3ccnc3)c2)cc1
CS(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1
CS(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(c2)-c2ccncc2)cc1
NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1
Fc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCO2)cc(c1)-c1ccncc1 |t:20|
Clc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CC2)cc(c1)-c1ccncc1
CC(C)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(c2)-c2ccncc2)cc1
NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(c2)-c2ccncc2)cc1
Clc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCO2)cc(c1)-c1ccncc1 |t:20|
CS(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(Cn3ccnc3)c2)cc1
CC(C)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(Cn3ccnc3)c2)cc1
NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(Cn3ccnc3)c2)cc1
Fc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCO2)c1 |t:29|
Fc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCCO2)c1 |t:29|
Fc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C[N+]#[C-])c1
Clc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCO2)c1 |t:29|
CCc1ccc(NC(=O)c2cc(coc2=N)C(=O)c2cc(OC)ccc2O)cc1
Clc1ccccc1CNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1Cc1ccco1
CC1N=C(SC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)SC1CC(N)=O |t:2|
CCCC(=O)Nc1ccc(cc1)C(=O)C(C)OC(=O)c1n[nH]c2ccccc12
Clc1cc2NC(=O)COc2cc1NCc1cccc(NC(=O)c2ccccc2Cl)c1
Oc1ccccc1NC(=O)c1ccc(Oc2cccc(c2)C(=O)Nc2ccccc2O)cc1
O=C(Nc1cccnc1)c1cccc(CNc2ccc3NC(=O)COc3c2)c1
Clc1ccc(NC(=O)c2cn[nH]c2)cc1C(=O)Nc1ccc2NC(=O)COc2c1
Clc1cc2NC(=O)COc2cc1NCc1cccc(c1)C(=O)Nc1cccnc1
CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Nc1ccc(cc1)C12CC1C(=O)N(CC1CCCCC1)C2=O
Nc1ccc(cc1)C12CC(C1)C(=O)N(C1CCCCC1)C2=O |(8.24,.27,;6.91,-.5,;6.9,-2.04,;5.55,-2.81,;4.22,-2.02,;4.21,-.47,;5.55,.28,;2.88,-2.79,;1.55,-2.02,;.23,-2.79,;1.57,-3.56,;.23,-4.33,;-1.11,-5.11,;1.55,-5.11,;1.55,-6.65,;2.88,-7.4,;2.88,-8.96,;1.55,-9.71,;.22,-8.94,;.22,-7.4,;2.88,-4.33,;4.22,-5.11,)|
CC(C)C1CCC(C)CC1OC(=O)Cc1ccncc1
CC(C)(C(=O)OC1CCCCC1)c1ccncc1
O=C(Cc1ccncc1)OC1=CC2CCC1C2 |t:11,TLB:9:10:16:14.13|
CC1(C)C2CCC1(C)C(C2)OC(=O)Cc1ccncc1
CCC1CCC(CC1)OC(=O)Cc1ccncc1 |(-2.68,-8.66,;-1.35,-7.89,;-.02,-8.68,;-.02,-10.22,;1.31,-11,;2.64,-10.23,;2.64,-8.69,;1.33,-7.92,;3.97,-11,;5.3,-10.23,;5.3,-8.69,;6.63,-11,;7.98,-10.23,;9.31,-11,;10.65,-10.23,;10.65,-8.69,;9.31,-7.92,;7.98,-8.69,)|
CC1CCC(CC1)OC(=O)Cc1ccncc1 |(-1.35,-7.89,;-.02,-8.68,;-.02,-10.22,;1.31,-11,;2.64,-10.23,;2.64,-8.69,;1.33,-7.92,;3.97,-11,;5.3,-10.23,;5.3,-8.69,;6.63,-11,;7.98,-10.23,;9.31,-11,;10.65,-10.23,;10.65,-8.69,;9.31,-7.92,;7.98,-8.69,)|
CC(C)(C)C1CCC(CC1)OC(=O)Cc1ccncc1 |(-2.68,-8.66,;-1.35,-7.89,;-1.33,-6.35,;-.95,-9.39,;-.02,-8.68,;-.02,-10.22,;1.31,-11,;2.64,-10.23,;2.64,-8.69,;1.33,-7.92,;3.97,-11,;5.3,-10.23,;5.3,-8.69,;6.63,-11,;7.98,-10.23,;9.31,-11,;10.65,-10.23,;10.65,-8.69,;9.31,-7.92,;7.98,-8.69,)|
CC1(CCCCC1)OC(=O)Cc1ccncc1
CC(C)OC(=O)Cc1ccncc1
O=C(Cc1ccncc1)OC12CC3CC(CC(C3)C1)C2 |THB:18:10:13:16.17.15,18:16:10.11.19:13,15:16:11:14.19.13,15:14:11:16.18.17|
CC(C)CC(C)OC(=O)Cc1ccncc1
CC1CCC(C1)OC(=O)Cc1ccncc1
O=C(Cc1ccncc1)Oc1ccccc1
O=C(Cc1ccncc1)OC1CCCCC1
CC(C)CCOC(=O)Cc1ccncc1
O=C(Cc1ccncc1)OC1CCCC1
CC(C(=O)OC1CCCCC1)c1ccncc1
CC1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3,THB:0:1:17:3|
Oc1c(F)c(F)c(F)c(F)c1N=Nc1c(F)c(F)c(F)c(F)c1F |w:11.11|
Fc1c(F)c(F)c2[nH]c3c(F)c(F)c(F)c(F)c3o[nH]c2c1F
CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Oc1c(F)c(F)c(N=Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1F |w:8.8|
Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2c1cccnc1 |t:7|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2c1ccncc1 |t:7|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1cccnc1 |c:21,t:8|
C[C@]12CCC3C(CC[C@H]4CC(=O)CC[C@]34C)C1CC=C2c1cccnc1 |c:21|
C[C@]12CCC3C(CC=C4C=CCC[C@]34C)C1CC=C2c1cccnc1 |c:9,20,t:7|
C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC=C2c1cccnc1 |c:20|
C[C@]12CCC3C(CC[C@H]4C[C@H](O)CC[C@]34C)C1CC=C2c1cccnc1 |c:21|
C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CC=C2Cc1ccccn1 |c:21,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1ccncc1 |c:21,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1ccccn1 |c:21,t:7|
C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1cccnc1 |c:22,t:9|
C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)Oc3c(F)c(F)c(c(F)c3F)C(F)(F)F)C1CC=C2c1cccnc1 |c:9,36,t:7|
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cccnc4)[C@@H]3CC=C2C1 |r,c:16,29|
C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9|
CCC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:5:6:13:9|
C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3|
CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:4:5:12:8|
C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C |TLB:7:6:19:3|
C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1ccncc1)C2(C)C |TLB:7:6:19:3|
CCC(CC)(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:7:8:15:11|
CC(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:8:9:13:7.6.12,12:7:14:11.13.10,12:11:14:7.6.8,THB:8:7:13:9.14.10|
C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9|
CC(C)(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:9:10:14:8.7.13,13:8:15:12.14.11,13:12:15:8.7.9,THB:9:8:14:10.15.11|
C[C@H]1C2CC(CC1OC(=O)Cc1ccccn1)C2(C)C |TLB:7:6:17:3|
CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1cccnc1 |TLB:4:5:12:8|
O=C(Cc1cccnc1)OC12CC3CC(CC(C3)C1)C2 |THB:18:10:13:16.17.15,18:16:10.11.19:13,15:16:11:14.19.13,15:14:11:16.18.17|
CC1(OC(=O)Cc2cccnc2)C2CC3CC(C2)CC1C3 |TLB:17:12:20:16.18.15,17:16:1.12.13:20,0:1:14.13.20:16.18.17,THB:2:1:14.13.20:16.18.17,2:1:20:16.18.15,15:14:1:16.18.17,15:16:1:14.13.20,(3.25,-8.58,;4.78,-8.43,;4.56,-9.95,;5.77,-10.91,;7.2,-10.33,;5.55,-12.43,;6.76,-13.38,;8.19,-12.81,;9.4,-13.76,;9.18,-15.29,;7.75,-15.86,;6.54,-14.91,;5.62,-6.95,;6.99,-7.65,;8.37,-6.95,;8.37,-5.56,;6.99,-4.86,;5.62,-5.56,;6.15,-6.33,;6.15,-7.73,;7.53,-8.43,)|
CC(C)(C(=O)OC1(C)C2CC3CC(C2)CC1C3)c1cccnc1 |TLB:7:6:10.9.16:12.13.14,5:6:13:10.9.11,16:15:13:10.9.11,THB:7:6:13:10.9.11,5:6:10.9.16:12.13.14,16:10:13:6.15.14,11:10:6:12.13.14,11:12:6:10.9.16,(4.95,-9.51,;4.66,-11.03,;4.37,-12.54,;6.18,-11.31,;6.68,-12.77,;7.18,-10.15,;8.69,-10.43,;8.91,-11.96,;10.07,-9.74,;10.07,-8.34,;10.91,-6.87,;12.28,-7.56,;12.28,-8.96,;11.44,-10.43,;10.91,-9.66,;9.53,-8.96,;9.53,-7.56,;3.15,-10.74,;2.64,-9.28,;1.13,-9,;.12,-10.16,;.63,-11.62,;2.14,-11.9,)|
C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C |TLB:7:6:17:3|
C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1ccncc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9|
C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:12:7:14:13.11.10,12:11:14:6.7.8,THB:10:11:6:14.9.8,10:9:6:13.11.12|
CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:9:10:14:7.8.13,13:8:15:14.12.11,13:12:15:7.8.9,THB:9:8:14:15.10.11|
C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:8:9:13:6.7.12,12:7:14:13.11.10,12:11:14:6.7.8,THB:8:7:13:14.9.10|
CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:9:10:14:7.8.13,13:8:15:14.12.11,13:12:15:7.8.9,THB:9:8:14:15.10.11|
O=C(NCc1ccncc1)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:11.12.17,THB:13:12:18:19.14.15,15:16:11:19.14.13,15:14:11:18.16.17|
O=C(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:11.12.17,THB:13:12:18:19.14.15,15:16:11:19.14.13,15:14:11:18.16.17|
O=C(OCc1cccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:11.12.17,THB:13:12:18:19.14.15,15:16:11:19.14.13,15:14:11:18.16.17|
O=C(OCc1ccncc1)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:11.12.17,THB:13:12:18:19.14.15,15:16:11:19.14.13,15:14:11:18.16.17|
C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:12:7:14:13.11.10,12:11:14:6.7.8,THB:10:11:6:14.9.8,10:9:6:13.11.12|
C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:8:9:13:6.7.12,12:7:14:13.11.10,12:11:14:6.7.8,THB:8:7:13:14.9.10|
C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:12:7:14:13.11.10,12:11:14:6.7.8,THB:10:11:6:14.9.8,10:9:6:13.11.12|
C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:12:7:14:13.11.10,12:11:14:6.7.8,THB:10:11:6:14.9.8,10:9:6:13.11.12|
CC(O)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:9|
CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C |t:12|
C[C@H](N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:9|
CC(N=N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:10|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2C=C |t:7|
C[C@@H](CN=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:12|
C[C@@H](C#N)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:11|
C[C@@H](O)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:9|
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(C)=O)[C@@H]3CC=C2C1 |r,c:16,25|
CC(=O)C1=CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:3,9|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2N=O |t:7|
CC(N=O)C1=CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:4,10|
C[C@@H](O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:10|
CC(=O)C1=CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:3,10|
C[C@]1(CO1)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:11|
CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C |t:11|
CN(C)N=C(C)C1=CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |w:3.2,t:6,12|
CN(C=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:10|
CC(N=O)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:10|
CC(=O)[C@@]1(Br)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:10|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2C#C |t:7|
C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:10|
C[C@@H](N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:9|
CN(C=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:11|
C[C@@H](C=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:11|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=NN |w:20.24,t:7|
C\C(C#N)=C1\CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:11|
O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2c1cnc[nH]1 |t:8|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1ccno1 |c:21,t:8|
C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2c1ccon1 |t:7|
CC(C1N=CC=N1)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C |c:3,5,t:15|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1cnc[nH]1 |c:21,t:8|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)c1cnc[nH]1 |t:8|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1ccn[nH]1 |c:21,t:8|
Cc1ncc([nH]1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:13|
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1C[C@H]1O[C@@]21c1cccnc1
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1ccnc1 |c:21,t:8|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2n1ccnc1 |c:21,t:7|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1ccnn1 |c:21,t:8|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1cncn1 |c:21,t:8|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2n1cncn1 |c:21,t:7|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2n1ccnn1 |c:21,t:7|
O=C1\C(CCc2ccccc12)=C\c1cccnc1
C1Cc2ccccc2C2C1C2c1cnc[nH]1
C1Cc2ccccc2C2C1C2c1ccncc1
O=C1\C(CCc2ccccc12)=C\c1cncs1
C1Cc2ccccc2C2C1C2c1cccnc1
O=C1\C(CCc2ccccc12)=C\c1ccncc1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1c[nH]cn1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1ccncc1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1cnco1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1c[nH]nn1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1cn[nH]c1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1ccncn1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1cc[nH]n1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1cccnc1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1nc[nH]n1
CC(C)C(O)(c1c[nH]nn1)c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1
CC(C)C(O)(c1c[nH]nn1)c1ccc2cc(OCC(F)(F)F)c(OCC(F)(F)F)cc2c1
CC(C)C(O)(c1c[nH]nn1)c1ccc2cc(OC(F)F)ccc2c1
CC(C)C(O)(c1c[nH]nn1)c1ccc2cc(OCC(F)(F)F)ccc2c1
CC(C)C(O)(c1c[nH]nn1)c1ccc2cc(ccc2c1)-c1cnco1
CC(C)C(O)(c1c[nH]nn1)c1ccc2cc(ccc2c1)-c1cccs1
Cn1nccc1C1=CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C |t:7,13|
C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CC=C2c1ccnn1-c1ccccc1 |c:21,t:7|
Cc1nc(co1)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C |t:13|
Cn1ccc(n1)C1=CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C |t:7,13|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2C1N=CC=N1 |c:25,27,t:8|
C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2c1ccno1 |t:7|
C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2c1ncc[nH]1 |t:7|
C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2c1ccn[nH]1 |t:7|
C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CC[C@@H]2c1cnc([nH]1)-c1ccccc1 |t:7|
CC12CCC3C(CC=C4CC(O)CCC34C)C1CC=C2c1ccn[nH]1 |c:21,t:7|
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1 |t:7|
CC1(NN1)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C |t:11|
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C1CS1 |t:7|
COC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C1CO1 |c:20|
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C1CCN1 |t:7|
CC12CCC3C(CC=C4CC(=O)CCC34C)C1CCC2CC1CN1 |t:7|
CC1(N=N1)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C |c:2,t:11|
CC12CCC3C(CC=C4CC(O)CCC34C)C1CC=C2c1cnc[nH]1 |c:21,t:7|
CC12CCC3C(CC=C4CC(=O)CCC34C)C1CCC2C1CO1 |t:7|
O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)C#N
Brc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
[O-][N+](=O)c1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1ccnc1 |r,c:21,t:7|
[H][C@@]12CC=C(n3cncn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:3,22|
[H][C@@]12CC=C(n3ccnn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:3,22|
[H][C@@]12CC=C(n3cncn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:3,23|
[H][C@@]12CC=C(n3ccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:3,23|
[H][C@@]12CC=C(n3ccnn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:3,23|
[H][C@@]12CC[C@H](n3cncn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:22|
[H][C@@]12CC[C@H](n3ccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:22|
Fc1cc-2c(CCc3nncn-23)cc1-c1cccnc1
Fc1cc(cc2CCc3nncn3-c12)-c1cccnc1
Cc1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
CCc1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
CCc1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
CC(C)c1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
CC(C)c1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
Fc1cc-2c(CCc3nnc(-c4ccccc4)n-23)cc1-c1cccnc1
Fc1cc(cc2CCc3nnc(-c4ccccc4)n3-c12)-c1cccnc1
Fc1cc-2c(CCc3nnc(Cc4ccccc4)n-23)cc1-c1cccnc1
Fc1cc(cc2CCc3nnc(C(=O)c4ccccc4)n3-c12)-c1cccnc1
Fc1cc-2c(CCc3nnc(-c4ccncc4)n-23)cc1-c1cccnc1
Fc1cc(cc2CCc3nnc(-c4ccncc4)n3-c12)-c1cccnc1
COc1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
CC(O)c1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
CC(=O)c1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C(F)(F)F
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C#N
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)-c1ccccc1
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc2ccccc12
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cnccc1C
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C
Fc1cncc(c1)-c1cc(F)c-2c(CCc3nncn-23)c1
Cc1c(F)cncc1-c1cc(F)c-2c(CCc3nncn-23)c1
Fc1ccc(Cn2ccnc2)cc1
c1ccc(cc1)Cn2ccnc2
Oc1ccc(Cn2ccnc2)cc1
Cc1ccc(Cn2ccnc2)cc1
Brc1ccc(Cn2ccnc2)cc1
Fc1cc(F)cc(Cn2ccnc2)c1
Fc1ccc(Cn2ccnc2)cc1F
Brc1cc(Br)cc(Cn2ccnc2)c1
Ic1ccc(Cn2ccnc2)cc1
[O-][N+](=O)c1ccc(Cn2ccnc2)cc1
Clc1cc(Cl)cc(Cn2ccnc2)c1
c1cc(c(cc1Cn2ccnc2)Cl)Cl
N#Cc1ccc(Cn2ccnc2)cc1
FC(F)(F)c1cc(Cn2ccnc2)cc(c1)C(F)(F)F
Clc1ccc(Cn2ccnc2)cc1
Fc1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
CC(C)(O)c1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
CC(C)(O)c1cncc(c1)-c1nc2ccc(F)cc2n1C1CC1
Cc1c(F)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1
Fc1ccc(CCn2ccnc2)cc1
c1cc(ccc1CCCn2ccnc2)Cl
Clc1ccc(CCn2ccnc2)cc1
Fc1ccc(CCCn2ccnc2)cc1
Brc1ccc(CCCn2ccnc2)cc1
C(Cc1ccccc1)Cn1ccnc1
Brc1ccc(CCn2ccnc2)cc1
COC(C)(C)c1cncc(c1)-c1ccc-2c(CCc3nnc(C)n-23)c1
Cc1nnc2CCc3cc(ccc3-n12)-c1cncc(c1)[C@](C)(O)C(F)(F)F |r|
C1Cc2cc(ccc2-n2c1nnc2-c1ccccc1)-c1cccnc1
COC(=O)c1cncc(c1)-c1ccc-2c(CCc3nnc(C)n-23)c1
CC(c1ccc-2c(Cc3ccccc-23)c1)n1ccnc1
CC(c1ccc(cc1)-c1ccc(F)cc1)n1ccnc1
CC(c1ccc2c(c1)[nH]c1cc(F)ccc21)n1ccnc1
CC(c1ccc2c(c1)[nH]c1ccccc21)n1ccnc1
CC(c1ccc-2c(Cc3cc(F)ccc-23)c1)n1ccnc1
C(c1ccc-2c(Cc3ccccc-23)c1)n1ccnc1
CC(c1ccc-2c(Cc3cc(O)ccc-23)c1)n1ccnc1
C=CC(c1ccc(cc1)-c1ccccc1)n1ccnc1
Fc1ccc(cc1)-c1ccc(cc1)C(C=C)n1ccnc1
Fc1ccc(cc1)-c1ccc(cc1)C(CCCl)n1ccnc1
OCCC(c1ccc(cc1)-c1ccc(F)cc1)n1ccnc1
CCC(CC)(c1ccc(cc1)-c1ccc(F)cc1)n1ccnc1
CC(C)(c1ccc(cc1)-c1ccc(F)cc1)n1ccnc1
CCC(c1ccc(cc1)-c1ccc(F)cc1)n1ccnc1
CCC(c1ccc(cc1)-c1ccc(O)cc1)n1ccnc1
CCC(c1ccc(cc1)-c1ccc(NC(C)=O)cc1)n1ccnc1
CCC(c1ccc(cc1)-c1ccc(NC(=O)OC(C)(C)C)cc1)n1ccnc1
CCC(c1ccc(cc1)-c1ccc(cc1)N1CCOCC1)n1ccnc1
CCC(c1ccc(cc1)-c1ccc(cc1)N(CC)CC)n1ccnc1
CCC(c1ccc(cc1)-c1ccc(cc1)N(C)C)n1ccnc1
CCC(c1ccc(cc1)-c1ccc(CC)cc1)n1ccnc1
CCC(c1ccc(cc1)-c1ccc(C)cc1)n1ccnc1
CCC(c1ccc(cc1)-c1ccc(cc1)C#N)n1ccnc1
CCC(c1ccc(cc1)-c1ccc(SC)cc1)n1ccnc1
CCC(c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1)n1ccnc1
FC(F)(F)c1ccc(cc1)-c1ccc(Cn2ccnc2)cc1
c1cn(cn1)C(c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1
c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4ccnc4
C(C(c1ccc(cc1)-c1ccccc1)n1ccnc1)c1ccccc1
C1CCC(CC1)C(c1ccc(cc1)-c1ccccc1)n1ccnc1
CC(C)(C)C(c1ccc(cc1)-c1ccccc1)n1ccnc1
CC(C)CC(c1ccc(cc1)-c1ccccc1)n1ccnc1
CCCCC(c1ccc(cc1)-c1ccccc1)n1ccnc1
CC(C)C(c1ccc(cc1)-c1ccccc1)n1ccnc1
CCCC(c1ccc(cc1)-c1ccccc1)n1ccnc1
CCC(c1ccc(cc1)-c1ccccc1)n1ccnc1
CC(c1ccc(cc1)-c1ccccc1)n1ccnc1
Cc1ccncc1-c1cccc2n(ncc12)-c1ccc(F)cc1
Cc1ccncc1-c1cccc2n(ncc12)-c1ccccn1
Cc1ccncc1-c1cccc2n(ncc12)-c1cccnn1
Cc1ccncc1-c1cccc2n(ncc12)-c1cnccn1
Cc1ccncc1-c1cccc2n(ncc12)-c1nccs1
Cc1ccncc1-c1cccc2n(ncc12)-c1cscn1
Cc1ccncc1-c1cccc2n(cnc12)-c1nccs1
Cc1ccncc1-c1cccc2n(cnc12)-c1cscn1
Cc1ccncc1-c1cccc2n(ncc12)-c1ccccc1
[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@@]1(C)C2CC=C1c1cccnc1 |r,c:22,t:3|
O=c1c(Cc2ccncc2)coc2ccccc12
Fc1ccc2c(c1)occ(Cc1ccncc1)c2=O
Fc1ccc2c(c1)oc(Cc1ccncc1)cc2=O
COc1ccc2c(c1)occ(Cc1c[nH]cn1)c2=O
Fc1ccc2c(c1)occ(Cc1c[nH]cn1)c2=O
CCC(c1ccc(cc1)-c1cccc(O)c1)n1ccnc1
CCC(c1ccc(cc1)-c1ccc(O)c(O)c1)n1ccnc1
CCC(c1ccc(cc1)-c1cc(O)cc(O)c1)n1ccnc1
CCC(c1ccc(cc1F)-c1ccc(O)cc1)n1ccnc1
CCC(c1ccc(cc1F)-c1ccc(O)c(O)c1)n1ccnc1
CCC(c1ccc(cc1)-c1cccc(OC)c1)n1ccnc1
CCC(c1ccc(cc1)-c1cc(C)c(O)c(C)c1)n1ccnc1
CCC(c1ccc(cc1)-c1ccc(O)c(C)c1)n1ccnc1
CCC(c1ccc(cc1)-c1ccc(O)c(Cl)c1)n1ccnc1
Cc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Fc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Clc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Brc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Ic1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
COc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
FC(F)(F)c1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
CC1(C)N=C(N)N=C(N)N1c1ccc(Cc2ccccc2)cc1 |t:3,6|
[H][C@@]12CC=C(c3n[nH]cc3C=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:3,24|
[H][C@@]12CC=C(c3n[nH]cc3C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:3,24|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1ccn[nH]1 |c:21,t:7|
[H][C@@]12CC=C(c3n[nH]cc3CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:3,24|
COCCS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
CC(C)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
CS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CC2)O1 |r|
FC(F)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
CS(=O)(=O)CS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Cn1ccnc1S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CCOCC2)O1 |r|
Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)CC#N)O1 |r|
CCS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
FC(F)(F)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)c2cccs2)O1 |r|
C[C@](O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F |r|
Fc1cncc(c1)-c1nc2cc(F)c(Cl)cn2c1C1CC1
Cc1c(F)cncc1-c1nc2ccc(F)cn2c1C1CC1
CCc1c(F)cncc1-c1nc2ccc(F)cn2c1C1CC1
CCC(c1ccc(cc1)-c1ccc(OC)cc1)n1ccnc1
CCC(c1ccc(cc1)-c1ccc(OC)cc1)c1cccnc1
CCC(c1ccncc1)c1ccc(cc1)-c1ccc(OC)cc1
OC(c1ccc(cc1)-c1ccc(O)cc1)n1ccnc1
OC(c1ccc(cc1)-c1ccc(O)cc1)c1cccnc1
OC(c1ccncc1)c1ccc(cc1)-c1ccc(O)cc1
CC(C)(c1cccnc1)C(=O)c2cccnc2
Nc1ccc(cc1)-c1ccc(Cc2ccncc2)cc1
Nc1cccc(c1)-c1ccc(Cc2ccncc2)cc1
Nc1ccc(cc1N)-c1ccc(Cc2ccncc2)cc1
Oc1cccc(c1)-c1ccc(Cc2ccncc2)cc1
Oc1ccc(cc1O)-c1ccc(Cc2ccncc2)cc1
Oc1ccc(cc1F)-c1ccc(Cc2ccncc2)cc1
CC(=O)Nc1ccc(cc1)-c1ccc(Cc2ccncc2)cc1
CC(=O)Nc1cccc(c1)-c1ccc(Cc2ccncc2)cc1
NC(=O)c1ccc(cc1)-c1ccc(Cc2ccncc2)cc1
Fc1cccc(c1)-c1ccc(Cc2ccncc2)cc1
Fc1ccc(cc1F)-c1ccc(Cc2ccncc2)cc1
COc1ccc(cc1F)-c1ccc(Cc2ccncc2)cc1
CC(C)(C)OC(=O)Nc1ccc(cc1)-c1ccc(Cc2ccncc2)cc1
CC(C)(C)OC(=O)Nc1ccc(cc1F)-c1ccc(Cc2ccncc2)cc1
CC(C)(C)OC(=O)Nc1ccc(cc1NC(=O)OC(C)(C)C)-c1ccc(Cc2ccncc2)cc1
COc1ccc(cc1NC(=O)OC(C)(C)C)-c1ccc(Cc2ccncc2)cc1
C(c1ccncc1)c1ccc(cc1)-c1ccsc1
C(c1ccncc1)c1ccc(cc1)-c1cccs1
C(c1ccncc1)c1ccc(cc1)-c1ccc2[nH]ccc2c1
COc1ccc2cc(ccc2c1)-c1ccc(Cc2ccncc2)cc1
Oc1ccc2cc(ccc2c1)-c1ccc(Cc2ccncc2)cc1
O=S(=O)(Oc1ccc(Cn2ccnc2)cc1)c1ccc(cc1)-c1ccccc1
CCc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
CCCc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
CCCCc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
CCCCCc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccccc1
COc1ccc(cc1)-c1cccc(c1)C(O)(C(C)C)c1cnc[nH]1
CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccc(F)cc1
CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccc(Cl)cc1
CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccccc1
COc1ccc(cc1)-c1ccc(cc1)C(O)(C(C)C)c1cnc[nH]1
CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccc(F)cc1
CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccc(Cl)cc1
CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1
CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccc(NC(C)=O)cc1
CNC(=O)c1cccc(c1)-c1ccc(cc1)C(O)(C(C)C)c1cnc[nH]1
CNS(=O)(=O)c1cccc(c1)-c1ccc(cc1)C(O)(C(C)C)c1cnc[nH]1
CNC(=O)Nc1cccc(c1)-c1ccc(cc1)C(O)(C(C)C)c1cnc[nH]1
CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccccn1
CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1
CC(=O)Nc1cccc(c1)-c1ccc(cc1)C(C)(O)c1cnc[nH]1
CCC(O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1
CC(=O)Nc1cccc(c1)-c1ccc(cc1)C(O)(C1CC1)c1cnc[nH]1
CC(=O)Nc1cccc(c1)-c1ccc(cc1)C(O)c1cnc[nH]1
CC(C)[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1 |r|
CC(C)[C@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1 |r|
CC(C)[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1 |r|
CC(C)[C@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1 |r|
CC[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1 |r|
CC[C@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1 |r|
Cc1ccncc1-c1ccnc2n(ncc12)-c1ccccc1
Cc1ccncc1-c1ccnn2c(ccc12)-c1ccccc1
Cc1ccncc1-c1cccc2c(cnn12)-c1ccccc1
Cc1ccncc1-c1cccc2c(csc12)-c1ccccc1
Cc1ccncc1-c1ccnc2c(csc12)-c1ccccc1
Cc1ccncc1-c1ccnc2c(noc12)-c1ccccc1
Cc1ccncc1-c1cccc2N(CCOc12)c1ccccc1
Cc1ccncc1-c1ccnc2n(C)ncc12
Cc1ccncc1-c1ccnc2n(ncc12)C(C)(C)C
Cc1ccncc1-c1ccnc2n(CC(F)(F)F)ncc12
Cc1ccncc1-c1ccnc2n(ncc12)-c1nccs1
Cc1ccncc1-c1ccnc2n(Cc3ccc(F)cc3)ncc12
Cc1ccncc1-c1ccnc2n(ncc12)-c1cccc(F)c1
COc1cccc(c1)-n1ncc2c(ccnc12)-c1cnccc1C
Cc1ccncc1-c1ccnc2n(ncc12)-c1ccc(F)c(Cl)c1
COc1ccccc1-n1ncc2c(ccnc12)-c1cnccc1C
COc1c(F)cccc1-n1ncc2c(ccnc12)-c1cnccc1C
Cc1ccncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1
Cc1ccncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1Cl
Cc1ccncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1F
Cc1ccncc1-c1ccnc2n(ncc12)-c1ncccc1Cl
Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncn2cccc12
Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cccnc1
COc1ccncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1
Nc1ccncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1
Nc1ncncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1
Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncnc1N1CC(F)(F)C1
Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncnc1NCC(F)(F)F
Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncnc1NC1CC1
CNC1=C(C(=O)NC(=N1)N)N=O
Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncnc1C(F)(F)F
Cc1ncncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1
Nc1ncncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1F
Nc1ncncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1C(F)(F)F
Nc1ncncc1-c1ccnc2n(ncc12)-c1c(F)cc(F)cc1F |(-5.55,2.02,;-5.55,.48,;-6.88,-.29,;-6.89,-1.83,;-5.55,-2.6,;-4.22,-1.83,;-4.22,-.29,;-2.88,.47,;-2.88,2.01,;-1.54,2.78,;-.21,2.01,;-.21,.47,;.94,-.6,;.32,-1.97,;-1.22,-1.79,;-1.55,-.3,;2.43,-.2,;3.52,-1.29,;3.12,-2.78,;5.01,-.89,;5.4,.59,;6.89,.99,;4.31,1.68,;2.83,1.29,;1.74,2.38,)|
Nc1ncncc1-c1ccnc2n(ncc12)-c1cccc(c1)S(N)(=O)=O
Nc1ncncc1-c1ccnc2n(ncc12)-c1ccccn1
Nc1ncncc1-c1ccnc2n(ncc12)-c1ncccc1C(F)(F)F
CNC(=O)c1ccc2cc(ccc2c1)[C@@](O)(C(C)C)c1cnc[nH]1 |r|
CNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
CNC(=O)c1ccc2cc(ccc2c1)[C@@]3(CCn4c3cnc4)O
CNC(=O)c1ccc2cc(ccc2c1)C1(O)c2cncn2CC1(C)C
CNC(=O)c1ccc2cc(ccc2c1)C1CCn2cncc12
CNC(=O)c1ccc2cc(ccc2c1)C(C)(O)c1cncn1C
NC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12
CCNC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12
OC1(CCn2cncc12)c1ccc2cc(ccc2c1)C(=O)NC1CC1
CC(C)NC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12
CNC(=O)c1ccc2cc(ccc2c1)[C@@]3(CCn4c3cnc4)O
COc1cncc(CN2CCc3c(C2)sc2ccc(F)cc32)c1
Fc1cncc(CN2CCc3c(C2)sc2ccc(F)cc32)c1
Cc1ccncc1CN1CCc2c(C1)sc1ccc(F)cc21
Fc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Fc1ccc2sc3CN(Cc4cncc5ccccc45)CCc3c2c1
Fc1ccc2sc3CN(Cc4c[nH]cn4)CCc3c2c1
Fc1ccc2sc3CN(Cc4ccncc4)CCc3c2c1
Cc1cncc(CN2CCc3c(C2)sc2ccc(F)cc32)c1
CC(=C)c1ccncc1CN1CCc2c(C1)sc1ccc(F)cc21
Fc1ccc2sc3CN(Cc4cnccc4C4CC4)CCc3c2c1
Fc1ccc2sc3CN(Cc4cnccc4Br)CCc3c2c1
Fc1ccc2sc3CN(CCc3c2c1)C(=O)c1cccnc1
CC(=O)Nc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
CC(C)(C)OC(=O)Nc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
CNC(=O)c1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Oc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
CC1(C)OB(OC1(C)C)c1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
COc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Brc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Clc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
C(N1CCc2c(C1)sc1ccccc21)c1cccnc1
C(N1CCc2c(C1)[nH]c1ccccc21)c1cccnc1
Fc1ccc2sc3CN(Cc4cncnc4)CCc3c2c1
CC(C)c1ccncc1CN1CCc2c(C1)sc1ccc(F)cc21
Fc1ccc2sc3CN(Cc4cnccc4-c4ccccc4)CCc3c2c1
N#Cc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Cc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
CC(C)(O)c1cncc(c1)-n1ncc2c(cccc12)C(F)(F)F
Cc1nn(-c2cncc(c2)[C@](C)(O)C(F)(F)F)c2ccccc12 |r|
Cc1nn(-c2cncc(c2)[C@@](C)(O)C(F)(F)F)c2ccccc12 |r|
Cc1nn(-c2cncc(c2)C(C)(C)O)c2cccc(F)c12
C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@H]2c1ccncc1 |t:7|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)c1cccnc1
[H][C@@]12CCC(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2CCN=O |t:8|
CC(N=O)C1=CC=C2C3CCC4=CC(=O)CCC4(C)C3CCC12C |t:4,6,11|
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=CCN=O |w:20.24,t:7|
CC(CC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)N=O |t:10|
CC(N=O)[C@H]1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C |t:12|
CC(CC1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)N=O |t:9|
CC(N=O)[C@H]1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C |t:11|
CC(N=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C |t:4,11|
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CCN=O |t:7|
CC(N=O)C1CC=C2C3CC=C4CC(O)CCC4(C)C3CCC12C |t:6,10|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2c1cnccn1 |c:21,t:7|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1cnc2ccccc12 |c:21,t:8|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2c1cncnc1 |c:21,t:7|
C[C@@]12CC(CC1C1CC=C3C[C@@H](O)CC[C@]3(C)C1CC2)N=O |t:9|
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2n1nccn1 |c:21,t:7|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=NNC(N)=O |w:20.24,t:7|
Clc1sccc1COC(Cn1ccnc1)c1ccc(Cl)cc1Cl
CC(=O)O[C@@]1(C)CCC2C3CCC4=CC(=O)C(=C)C[C@]4(C)C3CC[C@]12C |t:12|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2n1nnc2ccccc12 |c:21,t:7|
OC(Cc1c(Cl)cccc1Cl)(Cn1ccnc1)c1ccc(Cl)cc1Cl
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2n1cnnn1 |c:21,t:7|
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4
CC(CCC(=O)OC1CC2CC1C=CC2)[C@H]1CCC2C1CCC1C2CC=C2C[C@@H](O)CC[C@]12C |c:13,t:29,THB:6:7:10:12.13.14|
CC(=O)O[C@H]1CCC2C3C=CC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C |c:9,15,t:11|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC(NO)=C2N=N |c:23,t:7|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2n1ncnn1 |c:21,t:7|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2CCN=O |t:7|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@H]2c1ccncn1 |t:7|
c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2n1cnc2ccccc12 |c:21,t:7|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1nnc2ccccc12 |c:21,t:8|
CCC(c1ccc(cc1)-c1ccsc1)n1ccnc1 |w:2.1|
CCC(c1ccc(cc1)-c1ccsc1Cl)n1ccnc1 |w:2.1|
CCC(c1ccc(cc1F)-c1cscc1C)n1ccnc1 |w:2.1|
CCC(c1ccc(cc1)-c1cscc1C)n1ccnc1 |w:2.1|
CC(c1ccc(cc1)-c1ccsc1)n1ccnc1 |w:1.0|
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(OCc2ccc(cc2)C#N)cc1
CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O |r|
c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O
O=c1c2ccccc2oc2cccc(Cn3ccnc3)c12
CCC(c1ccncc1)c1ccc(cc1)-c1cccc(O)c1
CC(C)C(c1ccncc1)c1ccc(cc1)-c1cccc(O)c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#8])c1
CCC(c1ccncc1)c1ccc(cc1)-c1ccc(O)c(F)c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(F)c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(-[#8])c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])cc1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])c(F)c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])c(-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#7])c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#7])c(-[#7])c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc2cc(-[#8])ccc2c1
CNC(=O)Nc1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
CCNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
CC(C)NC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
CNC(=O)c1cc2ccc(cc2cc1C)C(O)(C(C)C)c1cnc[nH]1
CCCNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
CC(C)C(O)(c1cnc[nH]1)c1ccc2cc(ccc2c1)C(C)=O
CC(C)[C@](O)(c1cnc[nH]1)c1ccc2c3CN(C)C(=O)c3ccc2c1 |r|
CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1
CC(C)C(O)(c1cnc[nH]1)c1ccc2cc3C(=O)N(C)Cc3cc2c1
CC(C)[C@@](O)(c1cnc[nH]1)c1ccc2c3CN(C)C(=O)c3ccc2c1 |r|
COc1ccc2cc(ccc2c1)[C@@](O)(C(C)C)c1cnc[nH]1 |r|
COC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
CC(C)C(O)(c1cnc[nH]1)c1ccc2cc(NC(C)=O)ccc2c1
CC(C)C(O)(c1cnc[nH]1)c1ccc2cc(ccc2c1)C(N)=O
CC(C)C(O)(c1cnc[nH]1)c1ccc2cc3C(=O)NCc3cc2c1
CNC(=O)c1ccc2cc(ccc2c1Cl)C(O)(C(C)C)c1cnc[nH]1
CNC(=O)c1ccc2cc(ccc2c1C)C(O)(C(C)C)c1cnc[nH]1
FC(F)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(c2)-c2ccncc2)cc1
Fc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)CC#N)c1
Clc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)c2c[nH]cn2)c1
Clc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CC2)c1
FC(F)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(Cn3ccnc3)c2)cc1
Fc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C(F)(F)F)cc(c1)-c1ccncc1
CC(C)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1
CCS(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1
CCS(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(Cn3ccnc3)c2)cc1
CC(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(Cn3ccnc3)c2)cc1
Clc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)c2cccnc2)c1
Fc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CC2)c1
CC(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(c2)-c2ccncc2)cc1
Clc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)CC#N)cc(c1)-c1ccncc1
CC(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1
Fc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CC2)cc(c1)-c1ccncc1
FC(F)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1
COc1ccc(cc1)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
C=C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
CC(C)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
O=C1CCc2cc(cc(-c3ccsc3)c2N1)-c1cccnc1
O=C1CCc2cc(cc(c2N1)-c1cccnc1)-c1cccnc1
O=C1CCc2cc(cc(c2N1)-c1ccccc1)-c1cccnc1
Brc1cc(cc2CCC(=O)Nc12)-c1cccnc1
CN1C(=O)CCc2cc(c(OCc3ccccc3)cc12)-c1cccnc1
O=C1CCc2cc(c(OCc3ccccc3)cc2N1)-c1cccnc1
CN1C(=O)CCc2cc(c(OC3CCCC3)cc12)-c1cccnc1
O=C1CCc2cc(c(OC3CCCC3)cc2N1)-c1cccnc1
CCOc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
CCOc1cc2NC(=O)CCc2cc1-c1cccnc1
COc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
COc1cc2NC(=O)CCc2cc1-c1cccnc1
Oc1cc2NC(=O)CCc2cc1-c1cccnc1
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cnc[nH]4)[C@@H]3CC=C2C1 |c:16,28|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cnc[nH]1 |c:21,t:7|
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C4=NC(NC4)C(C)=O)[C@@H]3CC=C2C1 |c:31,t:19|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2c1cnc[nH]1 |t:7|
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4c4cnc[nH]4)[C@@H]3CC=C2C1 |c:28|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1ccno1 |c:21,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1ncc[nH]1 |c:21,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC1O[C@@]21c1cnc[nH]1 |t:7|
CC(N=O)[C@H]1CC=C2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:6,10|
CC(N=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:10|
CC(N=O)C1=CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:4,10|
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)C1CCC2=CCN=O |w:20.24,t:8|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=CCN=O |w:20.24,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1=CC[C@@H]2[C@H]1CN1 |r,c:19,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1 |r,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1 |r,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CO1 |r,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@H]1CN1 |r,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@@H]1CN1 |r,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@@H]1CN1 |r,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1=CC[C@@H]2[C@@H]1CN1 |r,c:19,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@@H]1CO1 |r,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@@H]1CN1 |r,t:7|
CC(N=O)C1=CC=C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:4,6,11|
CC(N=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:11|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=CCN=O |w:20.24,t:7|
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:12|
Nc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
Oc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
O=c1c2ccccc2oc2c(OC3CCCC3)ccc(Cn3ccnc3)c12
O=c1c2ccccc2oc2c(OCC3CC3)ccc(Cn3ccnc3)c12
CCC(C)Oc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
CC(C)CCOc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
CC(C)Oc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
CCOc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
COc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)-c1ccccc1
Ic1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
Clc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
C[C@]12CC[C@H]3[C@@H](CCC4=CC(CC[C@]34C)N=O)[C@@H]1CC=C2n1cnc2ccccc12 |r,c:22,t:8|
Cc1nccn1C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4n4cnc5ccccc45)[C@@H]3CC=C2C1 |r,c:22,39|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC(=O)n3ccnc3)[C@@H]1CC=C2n1cnc2ccccc12 |r,c:29,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC(=O)c3ccncc3)[C@@H]1CC=C2n1cnc2ccccc12 |r,c:30,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1ccc2ccccc12 |r,c:21,t:7|
C[C@]12CC[C@H]3[C@@H](C=CC4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 |r,c:6,21|
Oc1ccc2ccc(c(Cl)c2c1)-c1cncc2ccccc12
COc1ccc2ccc(c(Cl)c2c1)-c1cncc2ccccc12
Oc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
COc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
Oc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1
COc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1
COc1cncc(c1)-c1ccc2ccc(O)cc2c1Cl
COc1ccc2ccc(-c3cncc(OC)c3)c(Cl)c2c1
Oc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1
COc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1
Oc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
Oc1ccc2ccc(-c3cccnc3)c(F)c2c1
COc1ccc2ccc(-c3cccnc3)c(F)c2c1
Oc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
COc1ccc2ccc(cc2c1)-c1cccnc1
c1ccc2cc(ccc2c1)-c1cccnc1
CCn1ccc2c1ccc1nc(cc(Cn3cncn3)c21)-c1ccccc1
COc1ccc(cc1)-c1cc(Cn2cncn2)c2ccc3[nH]ccc3c2n1
CCn1ccc2c1ccc1nc(cc(Cn3ccnc3)c21)-c1ccccc1
Cc1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1
CCn1ccc2c1ccc1c(Cn3ccnc3)cc(nc21)-c1ccccc1
COc1ccc(cc1)-c1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1
C(c1cc(nc2c3cc[nH]c3ccc12)-c1ccccc1)n1ccnc1
Cc1noc(n1)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:7,13|
COc1ccc(Cc2onc3CC(C)(C)CC(=O)c23)cc1
CN1C(=O)CCc2cc(ccc12)-c1cccnc1
c1cc(c(cc1C#N)F)[C@H]2CCc3n2cnc3
CC1(C)Cc2noc(Cc3ccccc3)c2C(=O)C1
CC1(C)Cc2noc(Cc3ccc(cc3)S(C)(=O)=O)c2C(=O)C1
CC1(C)Cc2noc(c2C(=O)C1)-c1ccccc1
c1cc(ccc1C#N)[C@H]2CCCc3n2cnc3
CN(CCO)C(=O)c1ccc(Cc2onc3CC(C)(C)CC(=O)c23)cc1
[H][C@@]12CC=C(c3ccccc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:3,23|
[H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](O)[C@@]2([H])C[C@@H](O)CC[C@]12C |r,t:3|
[H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C\C(=N\O)[C@@]2([H])C[C@@H](O)CC[C@]12C |r,t:3|
[H][C@@]12C[C@@]11C[C@@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)C(=CC[C@@]3([H])[C@]1([H])C2)c1cccnc1 |r,c:19|
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C
[H][C@@]12CC=C(n3cnc4ccccc34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)n1ccnc1 |r,t:3,27|
[H][C@@]12CC=C(n3cnc4ccccc34)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,t:3|
[H][C@@]12CC=C(n3cnc4ccccc34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OCc1ccncc1 |r,t:3,27|
[H][C@@]12CC=C(n3cnc4ccccc34)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)OC |r,t:3|
[H][C@@]12CC=C(n3cnc4ccccc34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC |r,t:3,27|
CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
[H][C@@]12CC=C(n3ccnn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)NC(=O)c1ccnnc1 |r,t:3,22|
[H][C@@]12CC=C(n3cnc(C)c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)NC(=O)c1ccnnc1 |r,t:3,23|
[H][C@@]12CC=C(n3cncn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)NC(=O)c1ccnnc1 |r,t:3,22|
[H][C@@]12CC=C(n3cnc(C)c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)NC(=O)c1ccncc1 |r,t:3,23|
[H][C@@]12CC[C@@]([H])(C1)[C@]1(ON=C(c3cccnc3)[C@@]21[H])C(=O)Nc1ccc2[nH]ncc2c1 |r,t:10|
Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccncc1 |r,t:7,13|
Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccc(F)cc1 |r,t:7,13|
Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccc(F)cc1F |r,t:7,13|