Compound Name

SMILES String

NCC(CS(O)(=O)=O)c1ccc(Cl)cc1

C1C[C@H](CNC1)C(=O)O

NCC(CC(O)=O)c1ccc(Cl)cc1

NCC1CC(=O)CC(=O)C1

C(CC(=O)O)CN

CP(O)(=O)CCC=N

CP(O)(O)CC(=O)CN

NCCCP(=O)=O

NCC(CP(O)=O)c1ccc(F)cc1

CP(O)(=O)C(CCN)C(F)(F)F

NCC(=O)CP(O)(O)C(F)F

c1cc(ccc1[C@@H](CC(=O)O)CN)Cl

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

CP(O)(O)C(=O)CCN

NCCCP(O)=O

CC(CCN)P(O)=O

CP(=O)(CCCN)O

NCC(=O)CP(O)O

NCC(O)(CP(O)=O)c1ccc(Cl)cc1

NCCCP(O)(=O)C(F)F

NC[C@@H](CC(O)=O)c1ccc(Cl)cc1

CCC(CCN)P(C)(O)=O

CC(N)CCP(O)=O

NCC(CP(O)=O)c1ccccc1

NCCCP(O)(O)C=O

CC(CCN)P(C)(O)=O

CC(CN)CP(O)=O

CCP(O)(=O)CCCN

NCC(CP(O)=O)c1ccc(Cl)cc1

NCCCP(O)(O)=O

NCC[C@@H](CC(O)=O)c1ccc(Cl)cc1

NCC(CCC(O)=O)c1ccc(Cl)cc1

NCC[C@H](CC(O)=O)c1ccc(Cl)cc1

CC(C)(CO)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

NC[C@H](CC(O)=O)c1ccccc1

C[C@@H](NC[C@H](O)CP(O)(=O)CCCCCNC(=O)c1cc([125I])c(cc1O)N=[N+]=[N-])c1cccc(c1)C(O)=O |r|

NCC(CC(O)=O)c1ccc(Cl)s1

NC[C@@H](F)CP(O)(O)=O |r|

C(COS(=O)(=O)O)N

CCOC(OCC)P(=O)(CCCN)O

C(COP(=O)(O)O)N

C(CN)CS(=O)(=O)O

CCCCCCP(O)(=O)CCCN

NCC(CS(O)=O)c1ccc(Cl)cc1

NCCCS(=O)(=O)N(O)Cc1ccccc1

NCCCS(O)=O

NCCCS(=O)(=O)NO

NCCCS(=O)(=O)N(O)CC(O)=O

CN(O)S(=O)(=O)CCCN

CP(=O)(C1=CCNCC1)O

[NH3+]Cc1ccc(F)c([O-])c1F

NCc1cc(F)c(O)c(F)c1

NCC(CC(O)=O)c1ccc(OCc2ccc(F)cc2)cc1

COc1ccc2oc(cc2c1)C(CN)CC(O)=O

NCC(CC(O)=O)c1ccc(O)cc1

NCC(CC(O)=O)c1ccc(OCc2ccccc2)cc1

NCC(CC(O)=O)C1Cc2ccccc2O1

Cn1c2ccc(cc2oc1=O)C(CN)CC(O)=O

NCC(CC(O)=O)c1cc2ccccc2o1

COc1ccc2OC(Cc2c1)C(CN)CC(O)=O

CCCCP(=O)(CCCN)O

OC(=O)CC1CCNC1

OC(=O)C[C@@H]1CCNC1

OC(=O)C[C@H]1CCNC1 |r|

NCC1(CC(O)=O)CCc2cc(Cl)ccc12

NCC(CC(O)=O)c1c(Cl)cccc1Cl

NCC(CC(O)=O)c1ccc(Cl)cc1Cl

NCC1(CC(O)=O)Cc2ccccc12

NCC1(CC(O)=O)CCc2ccccc12

NCC1(CC(O)=O)CCCc2ccccc12

NCC(CC(O)=O)c1cccc(Cl)c1

NCC(CC(O)=O)c1cccs1

Cc1ccc(o1)C(CN)CC(O)=O

NCC(CC(O)=O)c1ccco1

Cc1ccsc1C(CN)CC(O)=O

NCC(CC(O)=O)c1ccc(Br)s1

NC[C@H](CC(O)=O)c1ccc(F)cc1

NCC(CC(O)=O)c1cc(Br)cs1

Cc1ccc(s1)C(CN)CC(O)=O

NCC(CC(O)=O)c1ccsc1

NCC(CC(O)=O)c1cc(Cl)cs1

NCC(CC(O)=O)c1ccccc1Cl

O=c1cc(o[nH]1)C1=CCNCC1 |t:7|

O=c1cc(s[nH]1)C1=CCNCC1 |t:7|

OC(=O)\C=C\C1=CCNCC1 |t:5|

OC(=O)CCC1=CCNCC1 |t:5|

O=c1cc(o[nH]1)C1CCNCC1

O=c1cc(s[nH]1)C1CCNCC1

C1CNCCC1CCC(=O)O

C1CNCC2=C1C(=O)NO2

OC(=O)C1=CCNCC1 |t:3|

O=c1cc([nH]o1)C1CCNCC1

OC(=O)\C=C\C1CCNCC1

CC(=O)c1ccc(cc1)C(O)CC(=O)C12CC3CC(CC(C3)C1)C2 |THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20,12:14:17:21.19.20|

COC(c1ccc(cc1)C(C)=O)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2 |THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23,15:17:20:24.22.23|

CC(=O)c1ccc(cc1)C(O)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2 |THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22,14:16:19:23.21.22|

FC(F)C(=O)c1ccc2ccccc2c1

C[C@H](C[C@@H](O)C(F)(F)C(=O)c1ccc2OCOc2c1)O[Si](C(C)C)(C(C)C)C(C)C |r|

C\C=C\C=C\C(O)C(F)(F)C(=O)C(C)(C)C

CCCCC=CC(=O)C(F)(F)C(O)\C=C\C=C\C |w:4.3|

CCC\C=C\C(O)C(F)(F)C(=O)c1ccc(Cl)cc1

C\C=C\C=C\C(O)C(F)(F)C(=O)c1ccc2ccccc2c1

CCC\C=C\C(O)C(F)(F)C(=O)c1ccc2ccccc2c1

COc1ccc(cc1)C(O)C(F)(F)C(=O)c1ccc2ccccc2c1

OC(C1CCCCC1)C(F)(F)C(=O)c1ccc2ccccc2c1

OC(\C=C\c1ccccc1)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2 |THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21,13:15:18:22.20.21|

CC(C)(C)c1cc2c(OC(=O)C2(O)C(F)(F)F)c(c1)C(C)(C)C

Cc1ncc(c(NC2CCCCCC2)n1)-c1ccc(cc1)C(F)(F)F

Cc1ncc(c(NC2CCCCC2)n1)-c1ccc(cc1)C(F)(F)F

Cc1ncc(c(NC2CCCC2)n1)-c1ccc(cc1)C(F)(F)F

Cc1ncc(c(NC23CC4CC(CC(C4)C2)C3)n1)-c1ccc(cc1)C(F)(F)F |TLB:6:7:10.9.14:12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7|

CSc1nc(c(c(n1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3

Cc1ncc(c(NC2C3CC4CC(C3)CC2C4)n1)-c1ccc(cc1)C(F)(F)F |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,6:7:11.12.14:16,(4.3,-15.44,;5.84,-15.43,;6.62,-16.77,;8.16,-16.77,;8.92,-15.44,;8.15,-14.1,;8.93,-12.77,;8.1,-11.47,;6.58,-11.44,;6.25,-10.04,;6.75,-8.72,;5.5,-7.5,;5.89,-9.01,;5.31,-10.4,;7.48,-9.03,;8.7,-10.09,;8.25,-8.73,;6.62,-14.1,;10.46,-15.44,;11.23,-16.78,;12.77,-16.78,;13.54,-15.44,;12.76,-14.1,;11.22,-14.11,;15.08,-15.44,;16.61,-15.44,;15.08,-13.9,;15.08,-16.98,)|

[H][C@@]12CC[C@@]([H])(C1)[C@@H](C2)Nc1nc(OC)ncc1-c1ccc(cc1)C(F)(F)F

[H][C@@]12CC[C@@]([H])(C1)[C@@H](C2)Nc1nc(ncc1-c1ccc(cc1)C(F)(F)F)C#N

[H][C@@]12CC[C@@]([H])(C1)[C@@H](C2)Nc1nc(ncc1-c1ccc(cc1)C(F)(F)F)N(C)C

Cc1ncc(c(NC2CCCC2)n1)-c1ccc(OC(F)(F)F)cc1

[H][C@@]12CC[C@@]([H])(C1)[C@@H](C2)Nc1nc(C)ncc1-c1ccc(cc1)C(F)(F)F

CC(C)(C)c1cc(\C=C\C(=O)C(O)=O)cc(c1O)C(C)(C)C

CC(C)(C)c1cc(\C=C\C=O)cc(c1O)C(C)(C)C

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(N)=O |r|

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(N)=O |r|

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(N)=O |r|

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(N)=O |r|

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(N)=O |r|

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)c1ccccc1)C(=O)N[C@@H](CS)C(N)=O |r|

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(C)=O)C(=O)N[C@@H](CS)C(N)=O |r|

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(N)=O |r|

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)c1ccccc1)C(=O)N[C@@H](CS)C(N)=O |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CC#CC[C@@H](NC(=O)CN)C(=O)N[C@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC1=O)C(N)=O)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

[H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1nc(C)nc2ccc(cc12)-c1ccc(cc1)C(F)(F)F |r|

[H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1nc(C)nc2ccc(cc12)-c1ccc(Cl)cc1 |r|

[H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1nc(C)nc2ccc(cc12)-c1cccc(Cl)c1 |r|

[H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1nc(C)nc2ccc(cc12)-c1ccccc1Cl |r|

[H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1nc(C)nc2ccc(cc12)-c1ccc(Cl)c(Cl)c1 |r|

[H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1nc(C)nc2ccc(cc12)-c1cc(Cl)cc(Cl)c1 |r|

[H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1nc(C)nc2ccc(cc12)-c1cccc(c1)C(F)(F)F |r|

[H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1nc(Cl)nc2ccc(cc12)-c1ccc(cc1)C(F)(F)F |r|

[H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1nc(Cl)nc2ccc(cc12)-c1ccc(Cl)cc1 |r|

[H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1nc(Cl)nc2ccc(cc12)-c1ccc(F)cc1 |r|

[H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1nc(Cl)nc2ccc(cc12)-c1ccc(Cl)c(Cl)c1 |r|

[H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1nc(Cl)nc2ccc(cc12)-c1cc(Cl)cc(Cl)c1 |r|

[H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1nc(Cl)nc2ccc(cc12)-c1cccc(c1)C(F)(F)F |r|

[H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1nc(C)ncc1-c1ccc(cc1)C(F)(F)F |r|