Compound Name

SMILES String

FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c([C@@H]4C[C@H]4C#N)c(Cl)ccc3n2)n1 |r|

CCN(Cc1cc(=O)n2cc(C)ccc2n1)c1ccccc1

CCN(Cc1cc(=O)n2cc(C)ccc2n1)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(CC)cccc2n1)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(CC)cccc2n1)c1ccccc1

CCN(Cc1cc(=O)n2c(C)cccc2n1)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(OC)cccc2n1)c1ccc(F)cc1

CCOc1cccc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12

CCN(Cc1cc(=O)n2c(cccc2n1)-c1cncnc1)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(cccc2n1)-c1ccco1)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(cccc2n1)C#N)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(Br)cccc2n1)c1ccc(F)cc1

CCNC(=O)c1c(C)ccc2nc(COc3ccc(F)cc3)cc(=O)n12

CCNC(=O)c1c(C)ccc2nc(Cn3nc(cc3C3CC3)C(F)(F)F)cc(=O)n12

CCNC(=O)c1c(C)ccc2nc(Cn3nc(cc3C(F)(F)F)C3CC3)cc(=O)n12

CCNC(=O)c1cccc2nc(Cn3nc(cc3C3CC3)C(F)(F)F)cc(=O)n12

CCN(Cc1cc(=O)n2c(C(=O)NC)c(C)ccc2n1)c1ccc(F)cc1

CNC(=O)c1c(C)ccc2nc(Cn3nc(cc3C3CC3)C(F)(F)F)cc(=O)n12

Cc1ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1[C@H]1C[C@@H]1C#N |r|

CC1=C(N2C(=NC(=CC2=O)Cn3c(cc(n3)C(F)(F)F)Cl)C=C1)[C@@H]4C[C@H]4C#N

Cc1ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1[C@@H]1C[C@H]1CO |r|

Cc1cc([C@@H]2C[C@H]2C#N)n2c(c1)nc(Cn1nc(cc1Cl)C(F)(F)F)cc2=O |r|

Cc1cc([C@H]2C[C@@H]2C#N)n2c(c1)nc(Cn1nc(cc1Cl)C(F)(F)F)cc2=O |r|

CC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c(cccc3n2)[C@@H]2C[C@H]2C#N)n1 |r|

FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c(cccc3n2)[C@H]2C[C@@H]2C#N)n1 |r|

FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c([C@H]4C[C@@H]4C#N)c(Cl)ccc3n2)n1 |r|

Cc1cc(C2CC2C#N)n2c(c1)nc(Cn1nc(Cl)cc1C(F)(F)F)cc2=O

Cc1ccc2nc(Cn3nc(Cl)cc3C(F)(F)F)cc(=O)n2c1C1CC1C#N

Fc1ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1[C@@H]1C[C@H]1C#N |r|

Fc1ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1[C@H]1C[C@@H]1C#N |r|

Fc1ccc2nc(Cn3nc(Cl)cc3C(F)(F)F)cc(=O)n2c1C1CC1C#N

FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3ccccc3n2)n1

CC(=O)c1cccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n12

CC(=O)c1c(C)ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n12

CC(=O)c1c(C)ccc2nc(Cn3nc(Cl)cc3C(F)(F)F)cc(=O)n12

COc1ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1[C@@H]1C[C@H]1C#N |r|

FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c(Cl)cc(cc3n2)C(F)(F)F)n1

COc1ccc2nc(Cn3nc(C)cc3Cl)cc(=O)n2c1C1CC1C

FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c(cc(cc3n2)C(F)(F)F)[C@@H]2C[C@H]2C#N)n1 |r|

Cc1cc([C@@H]2C[C@H]2C#N)n2c(c1)nc(Cn1nc(Cl)cc1Cl)cc2=O |r|

Oc1nc2cccc(C(N[C@H]3CCc4ccccc34)P(O)(O)=O)c2nc1O

Br.Oc1nc2cc(cc(C(NCc3ccccc3)P(O)(=O)Cc3ccccc3)c2nc1O)[N+]([O-])=O

Cl.CCCNC(c1cc(cc2nc(O)c(O)nc12)[N+]([O-])=O)P(O)(O)=O

C[C@@H](NC(c1cccc2nc(O)c(O)nc12)P(O)(O)=O)c1ccccc1

Oc1nc2cccc(C(Nc3ccccc3)P(O)(O)=O)c2nc1O

C[C@H](NC(c1cccc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O)c1ccc(Br)cc1

Oc1nc2cccc(C(NC(c3ccccc3)c3ccccc3)P(O)(O)=O)c2nc1O

CN(Cc1ccccc1)C(c1cccc2nc(O)c(O)nc12)P(O)(O)=O

COC(=O)NC(c1cc(cc2nc(O)c(O)nc12)[N+]([O-])=O)P(O)(O)=O

Oc1nc2cc(cc(CP(O)(O)=O)c2nc1O)-c1ccc(Cl)cc1

Oc1nc2cccc(C(NCCc3ccccc3)P(O)(O)=O)c2nc1O

C[C@H](NC(c1cccc2nc(O)c(O)nc12)P(O)(O)=O)c1cccc2ccccc12

CN(C(c1cccc2nc(O)c(O)nc12)P(O)(O)=O)C(C)=O

CNC(c1cccc2nc(O)c(O)nc12)P(O)(O)=O

Br.CP(O)(=O)C(NCc1ccccc1)c1cc(cc2nc(O)c(O)nc12)[N+]([O-])=O

Br.Oc1nc2cccc(C(NCc3ccccc3)P(O)(O)=O)c2nc1O

OC(c1cccc2nc(O)c(O)nc12)P(O)(O)=O

C[C@H](NC(c1cccc2nc(O)c(O)nc12)P(O)(O)=O)c1ccccc1

c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N

CN[C@]1(CCCCC1=O)c2ccccc2Cl

Oc1ccc(cc1)C(=O)CN1CCC(Cc2ccc(cc2)N=C=S)CC1

CC(N1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(NC(=O)CCl)cc1

COc1ccc(cc1)C(=O)C(=C)CN1CCC(Cc2ccccc2)CC1

CC12CC3CC(C)(C1)CC(N)(C3)C2 |TLB:7:1:4.5.8:11,10:9:4:2.7.1,0:1:4:8.9.11,THB:7:5:11:2.1.12,12:1:4:8.9.11,12:9:4:2.7.1,6:5:11:2.1.12|

[H][C@]12Cc3ccc(O)cc3[C@@]3(CCCC[C@]13[H])CCN2C |r,THB:20:19:15:2.9.3|

COC(=O)c1ccc(cc1)C1N(CCc2cccc3ccccc23)C(=O)C(O)=C1C(C)=O |c:30|

C[N+](C)(CCCC[C@H](N)C(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12)CCCNC(=O)[C@@H](N)CCCNC(N)=N |r|

CN(CCCC[C@H](N)C(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12)CCCNC(=O)[C@@H](N)CCCNC(N)=N |r|

NCCCNCCCCNCCCNCCCN(O)CCCNC(=O)Cc1c[nH]c2ccccc12

N[C@@H](CCCCNCCCNC(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12 |r|

Cc1ccc(CC2CCN(CCC#Cc3ccc(N)cc3)CC2)cc1

Nc1ccc(cc1)C#CCCCN1CCC(Cc2ccccc2)CC1

COc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1

Nc1ccc(cc1)C#CCCN1CCC(O)(Cc2ccc(F)cc2)CC1

CC(=O)Nc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1

CN(C)c1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1

CS(=O)(=O)Nc1ccc(cc1)C#CCCCN1CCC(Cc2ccccc2)CC1

CS(=O)(=O)Nc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1

Oc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1

Oc1ccc(cc1)C#CCN1CCC(Cc2ccccc2)CC1

Nc1ccc(cc1)C#CCN1CCC(Cc2ccccc2)CC1

CC(=O)Nc1ccc(cc1)C#CCCCN1CCC(Cc2ccccc2)CC1

[O-][N+](=O)c1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1

Nc1ccc(cc1N)C#CCCN1CCC(Cc2ccccc2)CC1

Nc1ccc(cc1)C#CCCN1CCC(Cc2ccc(Cl)cc2)CC1

Clc1ccccc1C#CCCN1CCC(Cc2ccccc2)CC1

Cc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1

NS(=O)(=O)c1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1

CS(=O)(=O)Nc1ccc(cc1)C#CCN1CCC(Cc2ccccc2)CC1

Clc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1

Fc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1

Clc1cccc(c1)C#CCCN1CCC(Cc2ccccc2)CC1

Cc1ccc(CC2(O)CCN(CCC#Cc3ccc(N)cc3)CC2)cc1

NCc1cccc(c1)C#CCCN1CCC(Cc2ccccc2)CC1

Nc1cccc(c1)C#CCCN1CCC(Cc2ccccc2)CC1

CNc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1

Nc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1

Nc1ccc(cc1)C#CCCN1CCC(Cc2ccc(F)cc2)CC1

Nc1ccc(cc1)C#CCCN1CCC(O)(Cc2ccccc2)CC1

NC(=O)c1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1

CC(=O)Nc1ccc(cc1)C#CCN1CCC(Cc2ccccc2)CC1

Nc1ccccc1C#CCCN1CCC(Cc2ccccc2)CC1

Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1

Oc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1

OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1

C(CN1CCC(Cc2ccccc2)CC1)Oc1ccccc1

Oc1ccc(OCCN2CCC(CC2)c2ccccc2)cc1

Oc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1

C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3

Cc1ccc(CC2CCN(CCOc3ccc(O)cc3)CC2)cc1

Oc1ccc(CCNC(=O)\C=C\c2ccccc2)cc1

Clc1ccc(Cl)c(\C=C\C(=O)NCCCCc2ccccc2)c1

Oc1cccc(CCNC(=O)\C=C\c2ccc(Cl)cc2)c1

Clc1ccc(\C=C\C(=O)NCCc2ccccc2)cc1

Oc1ccc(\C=C\C(=O)NCCc2ccc(Cl)cc2)cc1

Oc1cccc(\C=C(/C#N)C(=O)NCCCCc2ccccc2)c1

Oc1ccc(CCNC(=O)C(=C\c2ccc(Cl)cc2)\C#N)cc1

O=C(NCCCCc1ccccc1)\C=C\c1ccccc1

Oc1ccc(CCNC(=O)\C=C\c2ccc(Cl)cc2)cc1

Oc1ccc(\C=C\C(=O)NCCCCc2ccc(Cl)cc2)cc1

Clc1ccc(\C=C(/C#N)C(=O)NCCCCc2ccccc2)cc1

Oc1ccc(\C=C(/C#N)C(=O)NCCCCc2ccccc2)cc1O

Oc1ccc(CCNC(=O)\C=C(/C#N)c2ccc(Cl)cc2)cc1

OC(=O)COc1ccc(CCNC(=O)\C=C\c2ccc(Cl)cc2)cc1

Oc1ccc(CCNC(=O)\C=C\c2ccc(O)cc2)cc1

Oc1ccc(\C=C\C(=O)NCCc2ccccc2)cc1

Oc1ccc(CCC(=O)CCCCCc2ccccc2)cc1

Oc1ccc(CCC(=O)NCCCCc2ccccc2)cc1

Clc1ccc(CCNC(=O)\C=C\c2ccc(Cl)cc2)cc1

C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1

CCN(CC)CCOc1ccc(CCNC(=O)\C=C\c2ccc(Cl)cc2)cc1

Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O

Oc1ccccc1CCNC(=O)\C=C\c1ccc(Cl)cc1

C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|

Oc1ccc(\C=C(/C#N)C(=O)NCCCCc2ccccc2)cc1

Oc1ccc(CCNC(=O)\C=C(/C#N)c2ccccc2)cc1

Fc1ccc(\C=C(/C#N)C(=O)NCCCCc2ccccc2)cc1

Oc1ccc(CCNC(=O)\C=C\c2ccc(Cl)cc2Cl)cc1

Oc1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1O

Oc1ccc(\C=C(/C#N)C(=O)NCCc2ccccc2)cc1O

C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 |r|

Oc1ccc(\C=C(/C#N)C(=O)NCCCc2ccccc2)cc1O

Oc1ccc(\C=C\C(=O)NCCCCc2ccccc2)cc1

Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1

O=C(NCCCCc1ccccc1)C(=C\c1ccccc1)\C#N

NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CC1 |r|

CCCC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCNCCCCNCCCN |r|

NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1 |r|

NCCCNCCCCNCCCNC(=O)[C@H](CCCCNC(=O)Cc1ccccc1)NC(=O)c1ccccc1 |r|

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN

NCCCNCCCCNCCCNC(=O)[C@H](CCCNC(=O)Cc1ccccc1)NC(=O)C1CCCCC1 |r|

NCCCNCCCCNCCCNC(=O)[C@H](CCNC(=O)Cc1ccccc1)NC(=O)c1ccccc1 |r|

NCCCNCCCCNCCCNC(=O)[C@H](CNC(=O)Cc1ccccc1)NC(=O)C1CCCCC1 |r|

NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)CC12CC3CC(CC(C3)C1)C2 |r,TLB:31:32:30.29.35:36,THB:31:30:32.37.33:36,33:32:29:35.34.36,33:34:31.32.37:29|

NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc12 |r|

NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|

[H][C@@]1(COC(O1)(c1ccccc1)c1ccccc1)[C@]1([H])CCCCN1 |r|

OC(=O)[C@H]1NCCN(Cc2ccc3c(ccc4ccccc34)c2)[C@H]1C(O)=O

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc(cc1)-c1ccccc1Br

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccccc1

OC(=O)[C@@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2c(ccc3ccccc23)c1

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc(cc1)-c1ccc(F)cc1

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc(cc1)-c1ccccc1

C1CN(C[C@@H](N1)C(=O)O)CCCP(=O)(O)O

C(C[C@H](C(=O)O)N)CP(=O)(O)O

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2ccc3ccccc3c2c1

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)\C=C\c1ccc2ccccc2c1

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)\C=C\c1ccccc1

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc-2c(CCc3ccccc-23)c1

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc-2c(CCc3cc(Br)ccc-23)c1

N[C@H](CCCCCP(O)(O)=O)C(O)=O

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2c(ccc3ccccc23)c1

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2-c3ccccc3C(=O)c2c1

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2c(ccc3cc(Br)ccc23)c1

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2ccccc2c1

COc1cc2CCN[C@@H](C[C@H](O)c3ccc(Cl)cc3)c2cc1OC

COc1ccc(cc1)[C@@H](O)C[C@@H]1N(C)CCc2cc(OC)c(OC)cc12

COc1cc2CCN(C)[C@@H](C[C@H](O)c3ccc(Cl)cc3)c2cc1OC

C1C2CC3CC1CC(C2)(C3)N

N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O |wD:1.0,(27.93,-2.09,;29.26,-2.86,;29.26,-4.4,;27.92,-5.17,;27.92,-6.71,;26.59,-7.48,;26.59,-9.02,;25.26,-9.79,;27.92,-9.79,;30.59,-2.09,;30.59,-.55,;31.93,-2.86,;31.93,-4.4,;33.26,-5.17,;33.26,-6.71,;32.02,-7.62,;32.49,-9.08,;34.03,-9.08,;35.06,-10.22,;36.56,-9.9,;37.04,-8.43,;36.01,-7.3,;34.51,-7.62,;33.26,-2.09,;34.59,-2.86,;34.59,-4.4,;35.93,-2.09,;35.93,-.55,;34.59,.22,;34.6,1.76,;33.26,2.53,;33.26,4.08,;34.59,4.85,;34.59,6.39,;35.93,4.08,;35.93,2.53,;37.27,1.76,;37.26,-2.86,;38.6,-2.09,;39.93,-2.86,;38.6,-.55,)|

NCCCCCCN(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O

N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O |wD:1.0,(12.78,-1.15,;14.12,-1.92,;14.12,-3.46,;12.78,-4.23,;12.78,-5.77,;11.45,-6.54,;11.45,-8.08,;10.11,-8.85,;12.78,-8.85,;15.45,-1.15,;15.45,.39,;16.78,-1.92,;16.78,-3.46,;18.12,-4.23,;18.12,-5.77,;16.87,-6.68,;17.35,-8.14,;18.89,-8.14,;19.91,-9.28,;21.42,-8.96,;21.89,-7.49,;20.86,-6.36,;19.37,-6.68,;18.12,-1.15,;19.45,-1.92,;19.45,-3.46,;20.78,-1.15,;20.78,.39,;19.45,1.16,;19.45,2.7,;20.69,3.6,;20.22,5.06,;18.68,5.07,;17.65,6.21,;16.14,5.89,;15.66,4.41,;16.7,3.28,;18.2,3.6,;22.12,-1.92,;23.45,-1.15,;24.79,-1.92,;23.45,.39,)|

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6@H](-[#7](-[#6]-c2ccc(Cl)cc2Cl)-[#6]-1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccc(Cl)cc1Cl

N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCCc1c[nH]c2ccccc12 |wD:1.0,(8.54,-38.39,;9.88,-39.16,;9.88,-40.7,;8.54,-41.47,;8.54,-43.01,;7.21,-43.78,;7.21,-45.32,;5.87,-46.09,;8.54,-46.09,;11.21,-38.39,;11.21,-36.85,;12.54,-39.16,;12.54,-40.7,;13.88,-41.47,;13.88,-43.01,;12.64,-43.92,;13.11,-45.38,;14.65,-45.38,;15.68,-46.52,;17.18,-46.2,;17.65,-44.73,;16.62,-43.6,;15.13,-43.92,;13.88,-38.39,;15.21,-39.16,;15.21,-40.7,;16.55,-38.39,;16.55,-36.85,;15.21,-36.08,;15.21,-34.54,;16.45,-33.64,;15.98,-32.18,;14.44,-32.17,;13.41,-31.03,;11.9,-31.35,;11.42,-32.83,;12.46,-33.96,;13.96,-33.64,)|

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7](-[#6]-[#6]-c1ccc(Cl)cc1Cl)-[#6]-[#6](=O)-[#7]-[#6]-[#6]-c1ccc(Cl)cc1Cl

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7](-[#6]-[#6]-c1ccc(Cl)cc1Cl)-[#6]-[#6](=O)-[#7](-[#6]-[#6]-c1ccc(Cl)cc1Cl)-[#6]-[#6](-[#7])=O

N[C@@H](CCCN=C(N)N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O |wD:1.0,(-7.03,-18.3,;-5.69,-19.07,;-5.69,-20.61,;-7.03,-21.38,;-7.03,-22.92,;-8.36,-23.69,;-8.36,-25.23,;-9.7,-26,;-7.03,-26,;-4.36,-18.31,;-4.36,-16.77,;-3.03,-19.08,;-3.03,-20.62,;-1.69,-21.39,;-1.69,-22.93,;-3.03,-23.69,;-3.03,-25.23,;-1.7,-26,;-1.69,-27.54,;-.36,-25.22,;-.36,-23.68,;.97,-22.91,;-1.69,-18.31,;-.36,-19.08,;-.36,-20.62,;.97,-18.31,;.97,-16.77,;-.36,-16,;-.36,-14.46,;.88,-13.56,;.41,-12.09,;-1.13,-12.09,;-2.16,-10.94,;-3.67,-11.27,;-4.15,-12.74,;-3.11,-13.88,;-1.61,-13.56,;2.31,-19.08,;3.64,-18.31,;4.98,-19.08,;3.64,-16.77,)|

[H][C@@]1(CO[C@@](CC)(O1)c1ccccc1)[C@]1([H])CCCCN1 |r|

CCOC(=O)c1c(NC(=O)CC2SC(=N)NC2=O)sc2CSCCc12

CCOC(=O)c1c(NC(=O)CC2SC(=N)NC2=O)sc2COCCc12

CCOC(=O)c1c(NC(=O)CC2SC(=N)NC2=O)sc2CC(C)(C)CCc12

CCOC(=O)c1c2CCC(F)(F)Cc2sc1NC(=O)CC1SC(=N)NC1=O

CCOC(=O)c1c(NC(=O)CC2SC(=N)NC2=O)sc2CCCCc12

CCNC(=O)c1c(C)sc2nc(Cc3cccc(c3)C#N)cc(=O)n12

CCNC(=O)c1c(C)sc2nc(Cc3cccc(c3)C(F)(F)F)cc(=O)n12

CCNC(=O)c1c(C)sc2nc(Cn3nc(cc3C)C(F)(F)F)cc(=O)n12

CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cn3c(cc(n3)C(F)(F)F)Cl)C

CCNC(=O)c1c(C)sc2nc(cc(=O)n12)C(C)c1cccc(c1F)C(F)(F)F

CCNC(=O)c1c(C)sc2nc(Cn3ccc(n3)C(F)(F)F)cc(=O)n12

CCNC(=O)c1c(C)sc2nc(Cc3cc(ccc3Cl)C#N)cc(=O)n12

CCNC(=O)c1c(C)sc2nc(Cc3cc(ccc3C3CC3)C#N)cc(=O)n12

CCNC(=O)c1c(C)sc2nc(Cc3cccc(C#N)c3F)cc(=O)n12

CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cc3cccc(c3F)C(F)(F)F)C

CCN(Cc1cc(=O)n2c(C3CC3)c(C)sc2n1)c1ccc(F)cc1

CCNC(=O)c1c(C)sc2nc(CNc3ccc(F)cc3)cc(=O)n12

CCNC(=O)c1c(C)sc2nc(CN(CC)c3ccc(F)cn3)cc(=O)n12

CCCCc1nn2c(nc(CN(CC)c3ccccc3)cc2=O)s1

CCCN(Cc1cc(=O)n2c(C(=O)NCC)c(C)sc2n1)c1ccc(F)cc1

CCNC(=O)c1c(C)sc2nc(CN(C)c3ccc(F)cc3)cc(=O)n12

CCN(CC1=CC(=O)N2C(=C(SC2=N1)C)C(=O)NC)c3ccc(cc3)F

CCNC(=O)c1c(C)sc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12

CCN(Cc1cc(=O)n2c(C(C)=C)c(C)sc2n1)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(C(C)=O)c(C)sc2n1)c1ccc(F)cc1

CCNC(=O)c1c(C)sc2nc(COc3ccc(F)cc3)cc(=O)n12

c1c(nn(c1Cl)CC2=CC(=O)N3C(=C(SC3=N2)C(F)(F)F)[C@@H]4C[C@H]4C#N)C(F)(F)F

CCNC(=O)c1c(C)sc2nc(Cn3nc(cc3OCC)C(F)(F)F)cc(=O)n12

CCNC(=O)c1c(C)sc2nc(Cn3nc(cc3OCC(C)C)C(F)(F)F)cc(=O)n12

CCNC(=O)c1c(C)sc2nc(Cn3nc(cc3C3CC3)C(F)(F)F)cc(=O)n12

Cc1sc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1[C@@H]1C[C@H]1C#N |r|

Cc1sc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1[C@@H]1C[C@H]1CO |r|

OC[C@@H]1C[C@H]1c1c(sc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n12)C(F)(F)F |r|

Cc1sc2nc(Cc3cccc(C#N)c3F)cc(=O)n2c1C1CC1CO

Cc1sc2nc(Cc3cccc(c3F)C(F)(F)F)cc(=O)n2c1C1CC1CO

CCN(Cc1cc(=O)n2c([C@@H]3C[C@H]3CO)c(C)sc2n1)c1ccc(F)cc1 |r|

CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)[C@@H]4C[C@H]4CO

CCN(Cc1cc(=O)n2c(N3CCOCC3)c(C)sc2n1)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(C#N)c(C)sc2n1)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(c(C)sc2n1)-c1cccnc1)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(c(C)sc2n1)-c1cncnc1)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(CCO)c(C)sc2n1)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(CCCO)c(C)sc2n1)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(C(C)O)c(C)sc2n1)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(c(C)sc2n1)C(C)(C)O)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(CO)c(C)sc2n1)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(C(C)C)c(C)sc2n1)c1ccc(F)cc1

CCN(Cc1cc(=O)n2c(C3CCC3)c(C)sc2n1)c1ccc(F)cc1

CCN(Cc1cc(=O)n2cc(C)sc2n1)c1ccc(F)cc1

CCN(CC1=CC(=O)N2C(=N1)SC(=N2)C)c3ccccc3

CCN(Cc1cc(=O)n2nc(C)sc2n1)c1ccc(F)cc1

[H][C@@]12CC[C@]3([H])C[C@@H](CC[C@]3(C)[C@@]1([H])CC[C@@H](C)C2)OS(O)(=O)=O

Cc1sc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1-c1cncnc1

Cc1sc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1C1CC1

COc1cc([C@@H]2C[C@H]2C#N)n2c(c1)nc(Cn1nc(cc1Cl)C(F)(F)F)cc2=O |r|

CCNC(=O)c1c(C)ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n12

Cc1ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1C1CC1

FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c(cccc3n2)[C@@H]2C[C@H]2C#N)n1 |r|

Cc1ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1-c1cncnc1

C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21

C[n+]1ccc2c(c1)n(CCCCCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21

C(CCC[n+]1ccc2c(c1)[nH]c1ccccc21)CC[n+]1ccc2c(c1)[nH]c1ccccc21

C(CCCCC[n+]1ccc2c(c1)[nH]c1ccccc21)CCCCC[n+]1ccc2c(c1)[nH]c1ccccc21

C(CCCCCC[n+]1ccc2c(c1)[nH]c1ccccc21)CCCCC[n+]1ccc2c(c1)[nH]c1ccccc21

c1ccc2c(c1)c(c3c(n2)CCCC3)N

C(CCCCC[n+]1ccc2c(c1)[nH]c1ccccc21)CCCC[n+]1ccc2c(c1)[nH]c1ccccc21

C(CCC[n+]1ccc2c(c1)[nH]c1ccccc21)CCC[n+]1ccc2c(c1)[nH]c1ccccc21

C(CCCC[n+]1ccc2c(c1)[nH]c1ccccc21)CCC[n+]1ccc2c(c1)[nH]c1ccccc21

COc1ccc2[nH]c3c[n+](CCCCC[n+]4ccc5c(c4)[nH]c4ccc(OC)cc54)ccc3c2c1

C(CCCC[n+]1ccc2c(c1)[nH]c1ccccc21)CCCC[n+]1ccc2c(c1)[nH]c1ccccc21

C(CC[n+]1ccc2c(c1)[nH]c1ccccc21)CC[n+]1ccc2c(c1)[nH]c1ccccc21

Oc1ccc2[nH]c3c[n+](CCCCC[n+]4ccc5c(c4)[nH]c4ccc(O)cc54)ccc3c2c1

C(COCC[n+]1ccc2c(c1)[nH]c1ccccc21)OCCOCC[n+]1ccc2c(c1)[nH]c1ccccc21

C(C[n+]1ccc2c(c1)[nH]c1ccccc21)C[n+]1ccc2c(c1)[nH]c1ccccc21

Cc1ccc2nc(CCc3ccccc3)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1

Cc1ccc2nc(\C=C\c3ccccc3)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc3ccccc3c2)nc2ccccc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc3ccccc23)nc2ccccc2c1=O

COc1ccc2cc(\C=C\c3nc4ccccc4c(=O)n3-c3ccc(cc3)C(O)=O)ccc2c1

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(cc2)N2CCOCC2)nc2ccccc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc3OCCOc3c2)nc2ccccc2c1=O

O=c1n(-c2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12

Ic1ccc2nc(\C=C\c3cccnc3)n(-c3ccccc3)c(=O)c2c1

COc1ccc(cc1)-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O

COc1cccc(c1)-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O

COc1ccccc1-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O |(9.99,5.86,;9.99,4.32,;11.33,3.56,;12.66,4.34,;14.01,3.58,;14.01,2.04,;12.68,1.26,;11.34,2.03,;10.01,1.26,;10.02,-.29,;11.36,-1.06,;11.36,-2.6,;12.69,-3.36,;14.01,-2.58,;15.35,-3.34,;15.35,-4.89,;14.02,-5.66,;12.69,-4.9,;8.68,-1.07,;7.35,-.3,;6,-1.07,;4.67,-.3,;4.67,1.24,;3.34,2.01,;6,2.01,;7.34,1.24,;8.67,2.03,;8.66,3.57,)|

Cc1ccc(cc1)-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O

Cc1ccccc1-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O |(9.99,-8.67,;11.33,-9.43,;12.66,-8.66,;14.01,-9.42,;14.01,-10.96,;12.68,-11.74,;11.34,-10.97,;10.01,-11.74,;10.02,-13.28,;11.36,-14.05,;11.36,-15.59,;12.69,-16.36,;14.01,-15.58,;15.35,-16.34,;15.35,-17.89,;14.02,-18.66,;12.69,-17.9,;8.68,-14.06,;7.35,-13.29,;6,-14.07,;4.67,-13.3,;4.67,-11.76,;3.34,-10.99,;6,-10.98,;7.34,-11.75,;8.67,-10.97,;8.66,-9.43,)|

Cc1cccc(c1)-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O

[O-][N+](=O)c1ccc(cc1)-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O

[O-][N+](=O)c1cccc(c1)-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O

[O-][N+](=O)c1ccccc1-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O |(18.58,-22.91,;17.82,-24.26,;16.27,-24.27,;18.6,-25.6,;19.93,-24.82,;21.27,-25.58,;21.27,-27.12,;19.94,-27.9,;18.61,-27.13,;17.28,-27.9,;17.29,-29.45,;18.62,-30.22,;18.62,-31.76,;19.96,-32.52,;21.28,-31.74,;22.61,-32.5,;22.62,-34.05,;21.29,-34.82,;19.95,-34.06,;15.95,-30.22,;14.62,-29.45,;13.27,-30.23,;11.94,-29.46,;11.94,-27.92,;10.61,-27.15,;13.27,-27.14,;14.61,-27.91,;15.94,-27.13,;15.92,-25.59,)|

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O

OC(=O)c1cccc(c1)-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O

[O-][N+](=O)c1cccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccccc2)c1

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2ccccc2c1=O

OC(=O)c1ccccc1-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2ccccc2c1=O |(11.65,-9.49,;13.19,-9.48,;13.95,-8.15,;13.97,-10.83,;15.3,-10.06,;16.64,-10.83,;16.63,-12.37,;15.3,-13.14,;13.97,-12.36,;12.63,-13.12,;12.63,-14.68,;13.96,-15.45,;13.96,-16.99,;15.29,-17.76,;15.28,-19.3,;16.61,-20.07,;17.94,-19.31,;17.94,-17.76,;16.61,-16.99,;19.28,-20.08,;19.28,-21.62,;20.62,-19.32,;11.28,-15.45,;9.94,-14.68,;8.61,-15.44,;7.28,-14.67,;7.28,-13.12,;8.61,-12.35,;9.95,-13.12,;11.29,-12.34,;11.29,-10.8,)|

OC(=O)c1cccc(c1)-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2ccccc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O

OC(=O)c1cccc(c1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O

OC(=O)c1ccccc1-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O |(15.04,-25.16,;14.28,-26.5,;12.73,-26.51,;15.07,-27.84,;16.39,-27.06,;17.73,-27.83,;17.74,-29.37,;16.41,-30.14,;15.07,-29.37,;13.75,-30.15,;13.75,-31.7,;15.09,-32.47,;15.09,-34.01,;16.43,-34.78,;16.42,-36.31,;17.76,-37.08,;19.09,-36.3,;19.08,-34.75,;17.74,-34,;20.41,-33.97,;21.75,-34.74,;20.4,-32.43,;12.41,-32.48,;11.06,-31.71,;9.73,-32.48,;8.4,-31.71,;8.4,-30.16,;9.73,-29.4,;11.06,-30.16,;12.39,-29.37,;12.38,-27.83,)|

OC(=O)c1cccc(c1)-n1c(\C=C\c2ccccc2[N+]([O-])=O)nc2ccccc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccccc2[N+]([O-])=O)nc2ccccc2c1=O

COc1ccc(cc1)-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2ccccc2c1=O

COc1ccccc1-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2ccccc2c1=O |(25.66,-18.48,;25.66,-20.02,;27,-20.79,;28.33,-20.02,;29.66,-20.79,;29.66,-22.34,;28.33,-23.1,;27,-22.32,;25.66,-23.08,;25.66,-24.64,;26.99,-25.42,;26.99,-26.96,;28.32,-27.73,;29.64,-26.96,;30.97,-27.73,;30.97,-29.28,;29.63,-30.04,;28.3,-29.27,;32.31,-30.05,;32.31,-31.59,;33.65,-29.28,;24.31,-25.41,;22.97,-24.64,;21.64,-25.4,;20.31,-24.63,;20.31,-23.08,;21.64,-22.31,;22.98,-23.08,;24.31,-22.3,;24.31,-20.76,)|

COc1cccc(c1)-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2ccccc2c1=O

COc1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O

COc1ccccc1-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O |(25.91,-32.56,;25.91,-34.1,;27.25,-34.87,;28.58,-34.1,;29.91,-34.87,;29.91,-36.42,;28.58,-37.18,;27.25,-36.4,;25.91,-37.16,;25.91,-38.72,;27.24,-39.5,;27.24,-41.04,;28.57,-41.81,;28.55,-43.35,;29.88,-44.12,;31.22,-43.35,;31.22,-41.81,;29.89,-41.04,;32.56,-41.04,;33.89,-41.8,;32.55,-39.49,;24.55,-39.49,;23.22,-38.72,;21.89,-39.48,;20.56,-38.71,;20.56,-37.17,;21.89,-36.39,;23.22,-37.16,;24.56,-36.38,;24.56,-34.84,)|

COc1cccc(c1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O

COc1ccc(cc1)-n1c(\C=C\c2ccccc2[N+]([O-])=O)nc2ccccc2c1=O

COc1cccc(c1)-n1c(\C=C\c2ccccc2[N+]([O-])=O)nc2ccccc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccccc2)nc2ccccc2c1=O

COc1ccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)cc1

COc1ccccc1\C=C\c1nc2ccccc2c(=O)n1-c1ccc(cc1)C(O)=O

COc1cccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)c1

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(cc2)C(F)(F)F)nc2ccccc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccccc2C(F)(F)F)nc2ccccc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)C(F)(F)F)nc2ccccc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(O)cc2)nc2ccccc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccccc2O)nc2ccccc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(O)c2)nc2ccccc2c1=O

Cc1ccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)cc1

Cc1ccccc1\C=C\c1nc2ccccc2c(=O)n1-c1ccc(cc1)C(O)=O

Cc1cccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)c1

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2cccc(Cl)c2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2cc(Cl)ccc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(Cl)cc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2c(Cl)cccc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2c(Cl)cc(Cl)cc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2c(Cl)cc(Cl)cc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(F)cc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(I)cc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(Br)cc2c1=O

Cc1ccc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1

COc1ccc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(O)cc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2cc3ccccc3cc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(cc2c1=O)-c1ccccc1

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2cc3OCCOc3cc2c1=O

CC(C)c1ccc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2cc3OCOc3cc2c1=O

CCCc1ccc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(\C=C\c3ccccc3)cc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(cc2c1=O)-c1cccs1

COc1ccc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(-c3ccc(cc3)C#N)c(=O)c2c1

COC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(OC)cc2c1=O

COc1ccc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(-c3ccc(cc3)C(N)=O)c(=O)c2c1

COc1cccc(\C=C\c2nc3ccc(OC)cc3c(=O)n2-c2ccc(cc2)C(O)=O)c1

COc1ccc2nc(\C=C\c3cccc(c3)C(O)=O)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1

COC(=O)c1cccc(\C=C\c2nc3ccc(OC)cc3c(=O)n2-c2ccc(cc2)C(O)=O)c1

COC(=O)c1ccc(\C=C\c2nc3ccc(OC)cc3c(=O)n2-c2ccc(cc2)C(O)=O)cc1C(=O)OC

CSc1ccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)cc1

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(cc2)C#N)nc2ccccc2c1=O

CN(C)c1ccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)cc1

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(OC(F)F)cc2)nc2ccccc2c1=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(OCC=C)cc2)nc2ccccc2c1=O

OC(=O)COc1ccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)cc1

OC(=O)c1ccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)cc1

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2ccc(I)cc2c1=O

OC(=O)c1cccc(c1)-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2ccc(I)cc2c1=O

OC(=O)c1cccc(c1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(I)cc2c1=O

COc1ccc2nc(\C=C\c3ccc(cc3)[N+]([O-])=O)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1

COc1ccc2nc(\C=C\c3ccc(cc3)[N+]([O-])=O)n(-c3cccc(c3)C(O)=O)c(=O)c2c1

COc1ccc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(-c3cccc(c3)C(O)=O)c(=O)c2c1

Cc1nc2ccc(I)cc2c(=O)n1-c1ccc(cc1)C(O)=O

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccccc2)nc2ccc(I)cc2c1=O

COc1ccccc1-n1c(\C=C\c2ccccc2[N+]([O-])=O)nc2ccccc2c1=O |(33.08,.19,;31.74,.96,;31.74,2.5,;33.07,3.27,;33.06,4.81,;31.73,5.58,;30.4,4.8,;30.4,3.27,;29.07,2.5,;29.08,.94,;30.41,.19,;30.42,-1.37,;31.76,-2.13,;33.07,-1.35,;34.41,-2.12,;34.42,-3.66,;33.09,-4.43,;31.75,-3.67,;30.42,-4.44,;29.08,-3.67,;30.42,-5.98,;27.74,.16,;26.4,.93,;25.05,.16,;23.72,.93,;23.72,2.47,;25.05,3.25,;26.39,2.48,;27.72,3.27,;27.71,4.81,)|

c1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(c(c3)Cl)F

Brc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NNC(=O)c1ccccc1

OC(=O)[C@H]1NCC[C@@H]1c1ccc(Cl)c(c1)C(O)=O

C(C[C@H](C(=O)O)N)CP(=O)(O)O

Oc1ccc(CCNCCCCc2ccccc2)cc1

C(CNCCc1ccccc1)Cc1ccccc1

Oc1ccc(CCCNCCCCCc2ccccc2)cc1

Oc1ccc(CCNCCCCCc2ccccc2)cc1

CCN(CCCCc1ccccc1)CCc1ccc(O)cc1

Oc1ccc(CCN2CCC(Cc3ccccc3)CC2)cc1

Oc1ccc(CCOCCCCc2ccccc2)cc1

Oc1ccc(CCNCCCc2ccccc2)cc1

C[C@H](CCc1ccccc1)N[C@H](C)[C@@H](O)c1ccc(O)cc1

Oc1ccc(CCNCCCCCCc2ccccc2)cc1

C(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1

Oc1ccc(CCCNCCCCc2ccccc2)cc1

C(CCc1ccccc1)CNCCc1ccccc1

Oc1ccc(CC2CCN(CCCc3ccccc3)CC2)cc1

Oc1ccc(cc1)C1CCN(CCCc2ccccc2)CC1

Oc1ccc(CC2CCN(CCC#Cc3ccccc3)CC2)cc1

Oc1ccc(cc1)C1CCN(CCCCc2ccccc2)C1

Oc1ccc(CC2CCN(CCCCc3ccccc3)CC2)cc1

C(CCc1ccccc1)CN1CCC(CC1)c1ccccc1

Oc1ccc(CC2CCN(CC#Cc3ccccc3)CC2)cc1

Oc1ccc(cc1)C1(O)CCN(CCCCc2ccccc2)CC1

OC(CCc1ccccc1)CN1CCC(O)(CC1)c1ccc(O)cc1

Oc1ccc(cc1)C1CCN(CCCCCc2ccccc2)CC1

OC(CCc1ccccc1)CN1CCC(CC1)c1ccc(O)cc1

CCCCN1CCC(CC1)c1ccc(O)cc1

Oc1ccc(cc1)C1CCN(CCOCc2ccccc2)CC1

Oc1ccc(cc1)C1=CCN(CCCCc2ccccc2)CC1 |t:8|

COc1ccc(cc1)C1CCN(CCCCc2ccccc2)CC1

Oc1ccc(cc1)C1CCN(CCCCc2ccccc2)CC1

Oc1ccc(cc1)C1CCN(CCCCCc2ccccc2)C1

Oc1ccc(CCCCN2CCC(CC2)c2ccccc2)cc1

COc1cc(cc(c1O)[N+]([O-])=O)C(=O)P(O)(O)CC[C@H](N)C(O)=O |r|

C(CC(=O)O)[C@@H](C(=O)O)N

NC(Cc1no[nH]c1=O)C(O)=O

NC(CCc1no[nH]c1=O)C(O)=O

NC(CCCc1no[nH]c1=O)C(O)=O

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

c1ccc2c(c1)ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2cc3ccccc3cc2c1 |r|

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2cc(I)c3ccccc3c2c1 |r|

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2cc(Br)c3ccccc3c2c1 |r|

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2cc(Cl)c3ccccc3c2c1 |r|

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc(cc1)\N=N\c1ccccc1 |r|

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc(cc1)C#Cc1ccccc1 |r|

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2cc(ccc2c1)C(O)=O |r|

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2cc(Br)ccc2c1 |r|

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2cc(I)ccc2c1 |r|

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2cc(ccc2c1)-c1ccccc1 |r|

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)CCc1ccc2ccccc2c1 |r|

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2cc(F)ccc2c1 |r|

OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc(CCc2ccccc2)cc1 |r|

CS(=O)(=O)Nc1ccc(OCC(=O)NCCNc2ccc(Cl)c(Cl)c2)cc1

N[C@H](CCN=C(N)N)C(=O)NCCCCCCCCNCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1O)c1c[nH]c2ccccc12 |r,wU:27.27,wD:1.0,(63.54,-116.3,;63.54,-117.84,;64.87,-118.62,;66.2,-117.85,;67.53,-118.62,;68.86,-117.85,;70.2,-118.61,;68.86,-116.31,;62.2,-118.61,;62.19,-120.15,;60.87,-117.83,;59.54,-118.61,;58.2,-117.84,;56.87,-118.62,;55.53,-117.85,;54.2,-118.63,;52.87,-117.86,;51.54,-118.64,;50.2,-117.87,;48.87,-118.65,;47.54,-117.87,;46.2,-118.64,;44.87,-117.86,;43.53,-118.63,;42.2,-117.85,;40.87,-118.62,;40.86,-120.16,;39.54,-117.84,;38.2,-118.61,;36.87,-117.83,;36.87,-116.29,;35.53,-118.6,;34.2,-117.82,;34.21,-116.27,;32.87,-115.5,;31.53,-116.27,;30.2,-115.5,;31.54,-117.81,;32.86,-118.59,;32.86,-120.13,;39.54,-116.3,;38.3,-115.39,;38.78,-113.92,;40.32,-113.93,;41.35,-112.8,;42.84,-113.12,;43.31,-114.59,;42.28,-115.72,;40.78,-115.39,)|

N[C@H](CCN=C(N)N)C(=O)NCCCCCCCCNCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1O)c1cnc[nH]1 |r,wU:27.27,wD:1.0,(63.95,-107.91,;63.94,-109.45,;65.27,-110.22,;66.61,-109.46,;67.94,-110.23,;69.27,-109.46,;70.6,-110.22,;69.26,-107.92,;62.6,-110.21,;62.6,-111.75,;61.27,-109.44,;59.94,-110.21,;58.61,-109.45,;57.27,-110.22,;55.94,-109.46,;54.61,-110.23,;53.27,-109.47,;51.94,-110.24,;50.6,-109.48,;49.27,-110.25,;47.94,-109.48,;46.6,-110.24,;45.27,-109.47,;43.94,-110.23,;42.61,-109.46,;41.27,-110.22,;41.26,-111.76,;39.94,-109.45,;38.6,-110.21,;37.27,-109.44,;37.28,-107.9,;35.94,-110.2,;34.6,-109.43,;34.61,-107.88,;33.27,-107.11,;31.94,-107.88,;30.6,-107.11,;31.94,-109.42,;33.27,-110.19,;33.26,-111.73,;39.94,-107.91,;38.7,-107,;39.18,-105.53,;40.72,-105.54,;41.19,-107,)|

[#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

[#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

N[C@H](CCN=C(N)N)C(=O)NCCCCCCCCNCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2ccccc12 |r,wU:27.31,wD:1.0,(63.09,-105.91,;63.08,-107.45,;64.41,-108.23,;65.75,-107.46,;67.08,-108.23,;68.41,-107.46,;69.75,-108.22,;68.4,-105.92,;61.74,-108.22,;61.74,-109.76,;60.41,-107.44,;59.08,-108.22,;57.75,-107.45,;56.42,-108.23,;55.08,-107.46,;53.75,-108.24,;52.41,-107.47,;51.08,-108.25,;49.74,-107.48,;48.41,-108.26,;47.08,-107.48,;45.75,-108.25,;44.42,-107.47,;43.08,-108.24,;41.75,-107.46,;40.41,-108.23,;40.41,-109.77,;39.08,-107.45,;39.09,-105.91,;40.42,-105.15,;41.75,-105.92,;40.43,-103.61,;37.74,-108.22,;36.41,-107.44,;36.42,-105.9,;35.08,-108.21,;33.75,-107.43,;32.33,-108.05,;31.3,-106.9,;32.08,-105.57,;31.61,-104.11,;32.64,-102.98,;34.15,-103.3,;34.61,-104.77,;33.58,-105.9,)|

[#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccccc1 |r|

[#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1 |r|

[#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccccc1-[#8] |r|

N[C@H](CCN=C(N)N)C(=O)NCCCCCNCCCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1O)c1c[nH]c2ccccc12 |r,wU:27.27,wD:1.0,(64.28,-71.95,;64.27,-73.49,;65.6,-74.27,;66.94,-73.5,;68.27,-74.28,;69.6,-73.5,;70.93,-74.27,;69.59,-71.96,;62.93,-74.26,;62.93,-75.8,;61.6,-73.48,;60.27,-74.26,;58.93,-73.49,;57.6,-74.27,;56.27,-73.5,;54.94,-74.28,;53.6,-73.51,;52.27,-74.29,;50.93,-73.52,;49.6,-74.3,;48.27,-73.53,;46.93,-74.3,;45.6,-73.52,;44.26,-74.29,;42.93,-73.51,;41.59,-74.28,;41.59,-75.82,;40.26,-73.5,;38.93,-74.27,;37.6,-73.49,;37.6,-71.95,;36.26,-74.26,;34.93,-73.48,;34.93,-71.93,;33.6,-71.16,;32.26,-71.93,;30.93,-71.16,;32.26,-73.47,;33.59,-74.24,;33.59,-75.78,;40.27,-71.96,;39.03,-71.05,;39.51,-69.59,;41.05,-69.6,;42.08,-68.47,;43.57,-68.78,;44.05,-70.25,;43.01,-71.39,;41.52,-71.06,)|

N[C@H](CCN=C(N)N)C(=O)NCCCCCNCCCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1O)c1cnc[nH]1 |r,wU:27.27,wD:1.0,(63.05,-61.46,;63.04,-63,;64.37,-63.77,;65.71,-63.01,;67.04,-63.78,;68.37,-63.01,;69.7,-63.78,;68.36,-61.47,;61.7,-63.76,;61.7,-65.3,;60.37,-62.99,;59.04,-63.76,;57.71,-63,;56.38,-63.77,;55.04,-63.01,;53.71,-63.78,;52.37,-63.02,;51.04,-63.79,;49.7,-63.03,;48.37,-63.8,;47.04,-63.04,;45.7,-63.8,;44.37,-63.03,;43.03,-63.79,;41.7,-63.02,;40.37,-63.78,;40.36,-65.32,;39.03,-63.01,;37.7,-63.77,;36.37,-63,;36.37,-61.46,;35.03,-63.76,;33.7,-62.99,;33.71,-61.44,;32.37,-60.67,;31.03,-61.44,;29.7,-60.67,;31.04,-62.98,;32.36,-63.75,;32.36,-65.29,;39.04,-61.47,;37.8,-60.56,;38.28,-59.1,;39.82,-59.11,;40.29,-60.57,)|

[#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

[#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

N[C@H](CCN=C(N)N)C(=O)NCCCCCNCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2ccccc12 |r,wU:27.31,wD:1.0,(62.02,-79.67,;62.01,-81.21,;63.34,-81.98,;64.68,-81.22,;66.01,-81.99,;67.34,-81.22,;68.68,-81.98,;67.34,-79.68,;60.68,-81.97,;60.67,-83.51,;59.35,-81.2,;58.02,-81.97,;56.68,-81.21,;55.35,-81.98,;54.01,-81.22,;52.68,-81.99,;51.34,-81.23,;50.01,-82,;48.68,-81.24,;47.35,-82.01,;46.01,-81.25,;44.67,-82.01,;43.34,-81.24,;42.01,-82,;40.68,-81.23,;39.34,-81.99,;39.33,-83.53,;38.01,-81.22,;38.01,-79.68,;39.35,-78.91,;40.68,-79.69,;39.36,-77.37,;36.67,-81.98,;35.34,-81.21,;35.35,-79.67,;34,-81.97,;32.67,-81.2,;31.26,-81.81,;30.23,-80.66,;31,-79.33,;30.54,-77.88,;31.57,-76.74,;33.07,-77.07,;33.54,-78.53,;32.5,-79.66,)|

[#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccccc1 |r|

[#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1 |r|

[#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccccc1-[#8] |r|

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

NC(C(O)=O)c1ccnn1O

CCCC[C@@]1(C[C@H]1[C@@H](C(=O)O)N)C(=O)O

CCC[C@@]1(C[C@H]1[C@H](N)C(O)=O)C(O)=O |r|

CC[C@@]1(C[C@H]1[C@H](N)C(O)=O)C(O)=O |r|

C[C@@]1(C[C@H]1[C@H](N)C(O)=O)C(O)=O |r|

N[C@@H]([C@@H]1C[C@@H]1C(O)=O)C(O)=O

CCN(CC)c1ccc(cc1)\N=N\c1ccc(cc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCCCCCNCCCCNC(=O)[C@@H](N)CCCNC(N)=N |r|

CC12CC3CC(C)(C1)CC(C3)(C2)NCCCCNCCCCN

CC12CC3CC(C)(C1)CC(C3)(C2)NCCCCNCCCCNC(N)=N

[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(=O)CCCCC(O)=O |r,t:19|

NCCCNCCCCNCCCNC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1

NCCCCNCCCNCCCCNC(=O)N1c2ccccc2C=Cc2ccccc12 |c:25|

NCCCNCCCCNCCCNC(=O)N1c2ccccc2C=Cc2ccccc12 |c:24|

NCCCNCCCCNCCCNC(=O)N1c2ccccc2CCc2ccccc12

NCCCCNCCCCNCCCCNC(=O)N1c2ccccc2C=Cc2ccccc12 |c:26|

NCCCCNCCCCNCCCCNC(=O)N1c2ccccc2CCc2ccccc12

NCCCCNCCCNCCCCNC(=O)N1c2ccccc2CCc2ccccc12

NCCCCNCCCNCCCCNC(=O)N1c2ccccc2Sc2ccccc12

NCCCNCCCCNCCCNC(=O)N1c2ccccc2Sc2ccccc12

NCCCNCCCCNCCCNC(=O)n1c2ccccc2c2ccccc12

NCCCCNCCCCNCCCCNC(=O)N1c2ccccc2Sc2ccccc12

NCCCCNCCCNCCCCNC(=O)n1c2ccccc2c2ccccc12

NCCCCNCCCCNCCCCNC(=O)n1c2ccccc2c2ccccc12

c1ccc(cc1)C2(CCCCC2)N3CCCCC3

CCCCOc1ccc(cc1)C1(CCCCC1)N1CCCCC1

CCCCOc1cccc(c1)C1(CCCCC1)N1CCCCC1

O=C1NCCC1(N1CCCCC1)c1ccccc1

CN1CCC(N2CCCCC2)(C1=O)c1ccccc1

O=C1NCCCC1(N1CCCCC1)c1ccccc1

CNC1(CCCNC1=O)c1ccccc1Cl

CNC1(CCCN(C)C1=O)c1ccccc1Cl

CN1CCCC(N2CCCCC2)(C1=O)c1ccccc1

C1CCN(CC1)C1(CCCCC1)c1ccccn1

NC1(CCCNC1=O)c1ccccc1Cl

CNC1(CCCCC1=O)c1ccc(OC)cc1Cl

FC(F)(F)COc1cccc(c1)C1(CCCCC1)N1CCCCC1

COc1ccc(cc1)C1(CCCCC1)N1CCCCC1

COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC

C(CCCCNCCCCCCNCC(c1ccccc1)c1ccccc1)CCCNCCCCCCNCC(c1ccccc1)c1ccccc1

C(CCCCCCNCCCCCCNCC(c1ccccc1)c1ccccc1)CCCCCNCCCCCCNCC(c1ccccc1)c1ccccc1

COc1ccccc1CNCCCCCNCCCCCCNCCCCCNCc1ccccc1OC

COc1ccccc1CNCCCCCNCCCCCCCCCCNCCCCCNCc1ccccc1OC

COc1ccccc1CNCCCCCCCCNCCCCCCNCCCCCCCCNCc1ccccc1OC

[H][C@@]12CC[C@H](C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O

OC(=O)c1cc2cc(Br)ccc2oc1=O

FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1

FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1

COc1cc(\C=C\C(=O)NCCCCNC23CC4CC(C)(CC(C)(C4)C2)C3)ccc1O |TLB:14:15:18:24.21.22,23:22:18.19.26:16,THB:21:19:16:24.22.25,21:22:18.19.26:16,25:22:18:26.15.16,25:15:18:24.21.22,20:19:16:24.22.25,23:22:18:26.15.16|

COc1cc(\C=C\C(=O)NCCCCCCNC23CC4CC(C)(CC(C)(C4)C2)C3)ccc1O |TLB:16:17:20:26.23.24,25:24:20.21.28:18,THB:23:21:18:26.24.27,23:24:20.21.28:18,27:24:20:28.17.18,27:17:20:26.23.24,22:21:18:26.24.27,25:24:20:28.17.18|

COc1cc(\C=C\C(=O)NCCCNC(=O)C23CC4(C)CC(C)(CC(N)(C4)C2)C3)ccc1O |TLB:20:21:17.18.26:27,25:24:17:28.20.21,THB:22:21:17:26.24.27,22:21:17.18.26:27,20:18:27:28.21.23,23:21:17:26.24.27,23:24:17:28.20.21,19:18:27:28.21.23|

COc1cc(\C=C\C(=O)NCCNC(=O)C23CC4(C)CC(C)(CC(N)(C4)C2)C3)ccc1O |TLB:19:20:16.17.25:26,24:23:16:27.19.20,THB:19:17:26:27.20.22,22:20:16:25.23.26,22:23:16:27.19.20,18:17:26:27.20.22,21:20:16:25.23.26,21:20:16.17.25:26|

COc1cc(\C=C\C(=O)NCCCCCNC23CC4CC(C)(CC(C)(C4)C2)C3)ccc1O |TLB:15:16:19:25.22.23,24:23:19.20.27:17,THB:22:20:17:25.23.26,22:23:19.20.27:17,26:23:19:27.16.17,26:16:19:25.22.23,21:20:17:25.23.26,24:23:19:27.16.17|

COc1cc(\C=C\C(=O)NCCCCNC(=O)C23CC4(C)CC(C)(CC(N)(C4)C2)C3)ccc1O |TLB:21:22:18.19.27:28,26:25:18:29.21.22,THB:23:22:18:27.25.28,23:22:18.19.27:28,21:19:28:29.22.24,24:22:18:27.25.28,24:25:18:29.21.22,20:19:28:29.22.24|

COc1cc(\C=C\C(=O)NCCCNC23CC4CC(C)(CC(C)(C4)C2)C3)ccc1O |TLB:13:14:17:23.20.21,22:21:17.18.25:15,THB:20:18:15:23.21.24,20:21:17.18.25:15,24:21:17:25.14.15,24:14:17:23.20.21,19:18:15:23.21.24,22:21:17:25.14.15|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](C)CCC(C)(C)O |r,t:9|

C[C@H](CCCC(C)(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:15|

C[C@H](CC[C@@H](C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)C(F)(F)F |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](O)C1CCC1 |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)C1CCC1 |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)C1CC1 |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](O)CC |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)O |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(C)(C)OC |r,t:9|

[H][C@@]12CC[C@H](CCCC(C)(C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@](C)(O)CC[C@]12C |r,t:23|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](O)C(C)C |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)C(C)C |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC(C)(C)O |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(C)O |r,t:9|

[H][C@@](O)(CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)C |r,t:16|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)CC |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(C)(C)O |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](O)C(F)(F)F |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC1(O)CC1 |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(C)(C)O |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](O)C1CC1 |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](C)O |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(C)(C)O |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C(C)(C)O |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCO |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC1(O)CC1 |r,t:9|

CC(C)CCCc1ccc2cc(ccc2c1)C(O)=O

OC(=O)c1ccc2cc(CCCC3CCCC3)ccc2c1

CC(C)CCC(C)c1ccc2cc(ccc2c1)C(O)=O

OC(=O)c1cc2cc(ccc2cc1O)-c1ccccc1

OC(=O)c1cc2cc(\C=C\c3ccccc3)ccc2cc1O

OC(=O)c1cc2cc(\C=C\c3cccc(c3)[N+]([O-])=O)ccc2cc1O

OC(=O)c1cc2cc(\C=C\c3ccccc3[N+]([O-])=O)ccc2cc1O

OC(=O)c1cc2cc(\C=C\c3ccc(cc3)[N+]([O-])=O)ccc2cc1O

CCCCCc1ccc2cc(ccc2c1)C(O)=O

CC(C)CCC(=C)c1ccc2cc(ccc2c1)C(O)=O

Cc1ccc2nc3CCCc3c(N)c2c1

Cc1ccc2nc3CCCCc3c(N)c2c1

Cc1ccc2nc3CCCCCc3c(N)c2c1

Nc1c2CCCc2nc2ccc(Br)cc12

Nc1c2CCCCc2nc2ccc(Br)cc12

Nc1c2CCCCCc2nc2ccc(Br)cc12

Nc1c2CCCc2nc2ccc(Cl)cc12

Nc1c2CCCCc2nc2ccc(Cl)cc12

Nc1c2CCCCCc2nc2ccc(Cl)cc12

Nc1c2CCCc2nc2c(Cl)cc(Cl)cc12

Nc1c2CCCCc2nc2c(Cl)cc(Cl)cc12

Nc1c2CCCCCc2nc2c(Cl)cc(Cl)cc12

Nc1c2CCCc2nc2c(Br)cc(Br)cc12

Nc1c2CCCCc2nc2c(Br)cc(Br)cc12

Nc1c2CCCCCc2nc2c(Br)cc(Br)cc12

Nc1c2CCCc2nc2ccc(F)cc12

Nc1c2CCCCc2nc2ccc(F)cc12

Nc1c2CCCCCc2nc2ccc(F)cc12

Nc1c2CCCc2nc2cccc(Cl)c12

Nc1c2CCCCc2nc2cccc(Cl)c12

Nc1c2CCCCCc2nc2cccc(Cl)c12

Cc1ccc2c(N)c3CCCc3nc2c1

Cc1ccc2c(N)c3CCCCc3nc2c1

Cc1ccc2c(N)c3CCCCCc3nc2c1

Cc1cccc2nc3CCCc3c(N)c12

Cc1cccc2nc3CCCCc3c(N)c12

Cc1cccc2nc3CCCCCc3c(N)c12

COc1ccc2nc3CCCc3c(N)c2c1

COc1ccc2nc3CCCCc3c(N)c2c1

COc1ccc2nc3CCCCCc3c(N)c2c1

O=C(CCn1c2ccccc2c2cnccc12)N1c2ccccc2Sc2ccccc12

Fc1ccc2n(CCC(=O)N3c4ccccc4Sc4ccccc34)c3ccncc3c2c1

Cc1ccc2n(CCC(=O)N3c4ccccc4Sc4ccccc34)c3ccncc3c2c1

COc1ccc2n(CCC(=O)N3c4ccccc4Sc4ccccc34)c3ccncc3c2c1

C[n+]1ccc2n(CCC(=O)N3c4ccccc4Sc4ccccc34)c3ccccc3c2c1

C[n+]1ccc2n(CCC(=O)N3c4ccccc4Sc4ccccc34)c3ccc(F)cc3c2c1

Cc1ccc2n(CCC(=O)N3c4ccccc4Sc4ccccc34)c3cc[n+](C)cc3c2c1

COc1ccc2n(CCC(=O)N3c4ccccc4Sc4ccccc34)c3cc[n+](C)cc3c2c1

O=C(CCn1c2ccccc2c2c[n+](Cc3ccccc3)ccc12)N1c2ccccc2Sc2ccccc12

CCc1ccccc1-c1ccc(o1)C(=O)NC[C@@H](N)C(O)=O |r|

N[C@H](CNC(=O)c1ccc(o1)-c1ccccc1C(F)(F)F)C(O)=O |r|

N[C@H](CNC(=O)c1ccc(o1)-c1cccc2ccccc12)C(O)=O |r|

Cc1ccccc1-c1ccc(o1)C(=O)NC[C@@H](N)C(O)=O |r|

N[C@H](CNC(=O)c1ccc(o1)-c1ccccc1Cl)C(O)=O |r|

C(C(=O)O)N

N[C@H](CO)C(O)=O

COCc1ccccc1-c1ccc(o1)C(=O)NC[C@@H](N)C(O)=O |r|

N[C@H](CNC(=O)c1ccc(o1)-c1ccc(Cl)cc1)C(O)=O |r|

N[C@H](CNC(=O)c1ccc(o1)-c1ccccc1)C(O)=O |r|

N[C@H](CNC(=O)c1ccc(o1)-c1cccc(Cl)c1)C(O)=O |r|

N[C@H](CNC(=O)c1ccc(o1)-c1cccc(c1)C(F)(F)F)C(O)=O |r|

CN(C)S(=O)(=O)c1ccccc1-c1ccc(o1)C(=O)NC[C@@H](N)C(O)=O |r|

N[C@H](CNC(=O)c1ccc(o1)-c1ccc(Cl)c(Cl)c1)C(O)=O |r|

N[C@H](CNC(=O)c1ccc(o1)-c1ccccc1Br)C(O)=O |r|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@](C)(O)C(F)(F)F |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@](C)(O)CC |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)CC |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@](C)(O)CCCC |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)CCCC |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@](C)(O)C1CC1 |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C1CC1 |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@](C)(O)C(C)C |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(C)C |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@](C)(O)CCO |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)CCO |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)CCOC |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@](C)(O)C#C |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C#C |r,t:9|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r|

C[C@H](CC[C@](C)(O)C(F)(F)F)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r,t:17|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9|

CCN(Cc1cc2ccn(CC#N)c(=O)c2s1)c1ccc(F)cc1

CCN(Cc1cc2ccn(CCC#N)c(=O)c2s1)c1ccc(F)cc1

CCN(Cc1cc2c(ccn(CCC#N)c2=O)s1)c1ccc(F)cc1

CCN(Cc1cc2n(ccn(CCC#N)c2=O)n1)c1ccc(F)cc1

CCN(Cc1cc2n(n1)c(F)cn(CCC#N)c2=O)c1ccc(F)cc1

CCN(Cc1cc2c(C)cn(CCC#N)c(=O)c2s1)c1ccc(F)cc1

CCN(Cc1cc2c(CC)cn(CCC#N)c(=O)c2s1)c1ccc(F)cc1

CCN(Cc1cc2cc(C)n(CCC#N)c(=O)c2s1)c1ccc(F)cc1

CCN(Cc1cc2n(n1)c(C)cn(CCC#N)c2=O)c1ccc(F)cc1

Cc1cn(CCC#N)c(=O)c2cc(Cn3nc(Cl)cc3Cl)nn12

Cc1cn(CCC#N)c(=O)c2cc(Cn3nc(Br)cc3Cl)nn12

Cc1cn(CCC#N)c(=O)c2cc(Cn3nc(cc3Cl)C(F)F)nn12

C[C@H](CC#N)n1cc(C)n2nc(Cn3nc(cc3Cl)C(F)F)cc2c1=O

NC12CC3c4ccccc4C4CC(F)(CC34C1)C2