Compound Structure	ID	R1-smiles	R2-smiles	R0-smiles	MMP12_pIC50
CSC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C(O)=O	MOL1	CC(C)C*	CSc1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	7.8
CCCC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(O)=O	MOL2	CC(C)(C)OC(=O)CC*	CCCc1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	7.5
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)=O)C(O)=O	MOL3	CC(C)C*	CC(=O)c1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	7.4
OC(=O)[C@H](CCCNC(=O)C1=NC=CN=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(OC(F)(F)F)C=C1	MOL4	*CCCNC(=O)c1cnccn1	FC(F)(F)Oc1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	7.3
CCCC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC1=CN=CC=C1)C(O)=O	MOL5	*Cc1cccnc1	CCCc1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	7.1
CCSCC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC(F)=C(C)C=C1)C(O)=O	MOL6	CCSCC*	Cc1ccc(*)cc1F	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	7
CC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC1CC1)C(O)=O	MOL7	*CC1CC1	Cc1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6.9
CCC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC1=NC=CC=C1)C(O)=O	MOL8	*Cc1ccccn1	CCc1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6.9
CC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC1=CC=CS1)C(O)=O	MOL9	*Cc1cccs1	Cc1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6.8
CC1=C(F)C=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O	MOL10	Oc1ccc(C*)cc1	Cc1ccc(*)cc1F	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6.7
OC(=O)[C@H](CCCNC(=O)C1=NC=CN=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC(F)=CC=C1	MOL11	*CCCNC(=O)c1cnccn1	Fc1cccc(*)c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6.7
OC(=O)C(CC1=CC=C(O)C(F)=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC(F)=C(OCC2=CC=CC=C2)C=C1	MOL12	Oc1ccc(C*)cc1F	Fc1cc(*)ccc1OCc1ccccc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6.5
OC(=O)C(CC1=CNC2=CC(F)=CC=C12)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(Br)C=C1	MOL13	Fc1ccc2c(C*)c[nH]c2c1	Brc1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6.4
OC(=O)[C@H](CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1	MOL14	*Cc1c[nH]c2ccccc12	*c1ccccc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6.4
NC(=O)NC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC(CO)=CC=C1)C(O)=O	MOL15	NC(=O)NC*	OCc1cccc(*)c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6.4
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1F)C(O)=O	MOL16	CC(C)(C)*	Fc1ccccc1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6.2
COC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCCNC(=O)C1=CN=CC=C1)C(O)=O	MOL17	*CCCCNC(=O)c1cccnc1	COC(=O)c1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6.2
OC(=O)[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC(F)=C(F)C(F)=C1	MOL18	*COCc1ccccc1	Fc1cc(*)cc(F)c1F	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6.1
OC(=O)[C@@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(OC(F)(F)F)C=C1)C1=CC=C(F)C=C1	MOL19	Fc1ccc(*)cc1	FC(F)(F)Oc1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6.1
OC(=O)[C@H](CSCCC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C2OCOC2=C1	MOL20	*CSCCc1ccncc1	*c1ccc2OCOc2c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6.1
COC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CN1N=CN=N1)C(O)=O	MOL21	*Cn1ncnn1	COC(=O)c1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6.1
OC(=O)[C@@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC(F)=C(OCC2=CC=CC=C2)C=C1)C1=CC=C(F)C=C1	MOL22	Fc1ccc(*)cc1	Fc1cc(*)ccc1OCc1ccccc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6
CC(C)(C)OC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(\C=C\N(=O)=O)C=C1)C(O)=O	MOL23	CC(C)(C)OC*	*c1ccc(\C=C\N(=O)=O)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	6
C[C@@H](OC(C)(C)C)[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC(CO)=CC=C1)C(O)=O	MOL24	C[C@H](*)OC(C)(C)C	OCc1cccc(*)c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5.9
OC(=O)[C@H](CC1=CN=CC=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C2OCOC2=C1	MOL25	*Cc1cccnc1	*c1ccc2OCOc2c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5.7
CSC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(\C=C\N(=O)=O)C=C1)C(O)=O	MOL26	CSC*	*c1ccc(\C=C\N(=O)=O)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5.7
CC(=O)NCCCC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(C)C(=C1)N(=O)=O)C(O)=O	MOL27	CC(=O)NCCCC*	Cc1ccc(*)cc1N(=O)=O	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5.5
CCOC(=O)C1=CC(=CC=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(O)=O	MOL28	CC(C)(C)OC(=O)CC*	CCOC(=O)c1cccc(*)c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5.4
CC(=O)NCCCC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=C(C=CC=C1)N(=O)=O)C(O)=O	MOL29	CC(=O)NCCCC*	*c1ccccc1N(=O)=O	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5.3
NCC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(O)=O	MOL30	Fc1ccc2c(C*)c[nH]c2c1	NCc1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5.3
OC(=O)C(NS(=O)(=O)C1=CC=C(C=C1)C1=C(F)C=CC=C1)C1=CC=CS1	MOL31	*c1cccs1	Fc1ccccc1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5.2
CCOC(=O)CC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=C(OC)C=CC=C1)C(O)=O	MOL32	CCOC(=O)CC*	COc1ccccc1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5.2
OC(=O)[C@H](CC1CC1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC(=CC=C1)C#N	MOL33	*CC1CC1	*c1cccc(c1)C#N	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5.1
CCOC(=O)C1=CC(=CC=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CSC1=CC=CS1)C(O)=O	MOL34	*CSc1cccs1	CCOC(=O)c1cccc(*)c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5.1
OC(=O)[C@H](CSC1=CC=CS1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC2=C1OC1=C2C=CC=C1	MOL35	*CSc1cccs1	*c1cccc2c1oc1ccccc21	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5.1
COC1=C(C)C=C(C=C1C)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CSC)C(O)=O	MOL36	CSC*	COc1c(C)cc(*)cc1C	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5
OC(=O)[C@H](CSCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=C(Cl)C=CC=C1	MOL37	*CSCc1ccccc1	Clc1ccccc1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5
CC(=O)NC1=CC(=CC=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CN1C=CC=N1)C(O)=O	MOL38	*Cn1cccn1	CC(=O)Nc1cccc(*)c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5
OC(=O)C(CC1=CC=C(O)C(F)=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC(=C1)N(=O)=O	MOL39	Oc1ccc(C*)cc1F	*c1cccc(c1)N(=O)=O	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5
OC(=O)[C@H](CSC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=C2SC3=CC=CC=C3SC2=CC=C1	MOL40	*CSc1ccccc1	*c1cccc2Sc3ccccc3Sc12	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5
COC1=CC=C(C=C1C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(N)=O)C(O)=O)C(C)C	MOL41	NC(=O)C*	COc1ccc(cc1*)C(C)C	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	5
CC1=C(C=CC(F)=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)C(O)=O	MOL42	*COCc1ccccc1	Cc1cc(F)ccc1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.9
COC1=CC=CC(=C1F)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CSCCC1=CC=NC=C1)C(O)=O	MOL43	*CSCCc1ccncc1	COc1cccc(*)c1F	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.9
OC(=O)[C@H](CC(=O)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC2=C1SC1=C2C=CC=C1	MOL44	*CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1	*c1cccc2c1sc1ccccc21	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.8
OC(=O)[C@H](CC1=CC=CS1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC(=CC=C1)C#N	MOL45	*Cc1cccs1	*c1cccc(c1)C#N	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.8
OC(=O)[C@@H](NS(=O)(=O)C1=CC=C(C=C1)C1=C(C=CC=C1)N(=O)=O)C1=CC=CC=C1	MOL46	*c1ccccc1	*c1ccccc1N(=O)=O	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.7
OC(=O)[C@H](CC1=NC=CC=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC2=C1SC1=C2C=CC=C1	MOL47	*Cc1ccccn1	*c1cccc2c1sc1ccccc21	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.7
CC(C)NC(=O)CC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=C(Cl)C=CC=C1)C(O)=O	MOL48	CC(C)NC(=O)CC*	Clc1ccccc1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.6
CCOC1=C(C=CC=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CSC1=NC=CS1)C(O)=O	MOL49	*CSc1nccs1	CCOc1ccccc1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.6
OC(=O)C(CCC(=O)NC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=C(Cl)C(Cl)=CC=C1	MOL50	*CCC(=O)Nc1ccccc1	Clc1cccc(*)c1Cl	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.6
OC(=O)C(NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC2=C1OC1=C2C=CC=C1)C1=CC=CS1	MOL51	*c1cccs1	*c1cccc2c1oc1ccccc21	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.5
COC1=CC(OC)=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC1=CC(=CC=C1)C#N)C(O)=O	MOL52	*Cc1cccc(c1)C#N	COc1ccc(*)c(OC)c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.5
CS(=O)CC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=C(OC2=CC=CC=C2)C=CC=C1)C(O)=O	MOL53	CS(=O)CC*	*c1ccccc1Oc1ccccc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.5
OC(=O)CNS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC(=C1)N(=O)=O	MOL54	*[H]	*c1cccc(c1)N(=O)=O	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.5
CCCC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=C(OC)C=CC(Cl)=C1)C(O)=O	MOL55	CCCC*	COc1ccc(Cl)cc1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.4
OC(=O)[C@H](CC(=O)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=C(Cl)C(Cl)=CC=C1	MOL56	*CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1	Clc1cccc(*)c1Cl	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.4
COC1=CC=CC(=C1F)C1=CC=C(C=C1)S(=O)(=O)NC(C(C(F)(F)F)C(F)(F)F)C(O)=O	MOL57	FC(F)(F)C(*)C(F)(F)F	COc1cccc(*)c1F	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.4
CS(=O)CC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC(=C1)C(F)(F)F)C(O)=O	MOL58	CS(=O)CC*	FC(F)(F)c1cccc(*)c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.3
COC1=CC=CC=C1C1=CC=C(C=C1)S(=O)(=O)N[C@H](C(O)=O)C(C)(C)C	MOL59	CC(C)(C)*	COc1ccccc1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.2
CCOC(=O)CC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC(F)=CC(F)=C1OC)C(O)=O	MOL60	CCOC(=O)CC*	COc1c(F)cc(F)cc1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4.1
CCOC1=C(C=CC=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O	MOL61	C[C@H](*)OC(C)(C)C	CCOc1ccccc1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	4
COC1=C(C=C(Cl)C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)OC(C)(C)C)C(O)=O	MOL62	CC(C)(C)OC(=O)C*	COc1ccc(Cl)cc1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	3.9
OC(=O)[C@H](CN1C=NC=N1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC(OCC2=CC=CC=C2)=CC=C1	MOL63	*Cn1cncn1	*c1cccc(OCc2ccccc2)c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	3.9
CC1=CC=C(F)C(=C1Cl)C1=CC=C(C=C1)S(=O)(=O)NCC(O)=O	MOL64	*[H]	Cc1ccc(F)c(*)c1Cl	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	3.8
CCCC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC2=C1SC1=C(S2)C=CC=C1)C(O)=O	MOL65	CCCC*	*c1cccc2Sc3ccccc3Sc12	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
OC(=O)[C@H](CN1C=NC=N1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(Br)C=C1	MOL66	*Cn1cncn1	Brc1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
OC(=O)[C@H](CN1C=CC=N1)NS(=O)(=O)C1=CC=C(C=C1)C1=C2N=CC=CC2=CC=C1	MOL67	*Cn1cccn1	*c1cccc2cccnc12	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
CSC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCC(=O)NC(C)C)C(O)=O	MOL68	CC(C)NC(=O)CC*	CSc1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
COC1=C(OC)C(OC)=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@H](C(O)=O)C1=CC=CC=C1	MOL69	*c1ccccc1	COc1ccc(*)c(OC)c1OC	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
OC(=O)[C@H](CN1N=CN=N1)NS(=O)(=O)C1=CC=C(C=C1)C1=C2N=CC=CC2=CC=C1	MOL70	*Cn1ncnn1	*c1cccc2cccnc12	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
CC1=CC=CC(C)=C1C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(N)=O)C(O)=O	MOL71	NC(=O)C*	Cc1cccc(C)c1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1OC1=CC=CC=C1)C(O)=O	MOL72	CC(C)(C)OC(=O)C*	*c1ccccc1Oc1ccccc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
CCSCC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=C(C)C=CC=C1C)C(O)=O	MOL73	CCSCC*	Cc1cccc(C)c1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
CC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C(O)=O	MOL74	FC(F)(F)C(=O)NCCCC*	CC(=O)c1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
CC(=O)C1=C(C=CC=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)C1=CC=C(C)C=C1)C(O)=O	MOL75	Cc1ccc(cc1)S(=O)(=O)NC(=N)NCCC*	CC(=O)c1ccccc1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
CC(=O)C1=C(C=CC=C1)C1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NC1=CC=CC=C1)C(O)=O	MOL76	*CCC(=O)Nc1ccccc1	CC(=O)c1ccccc1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
COC1=C(C=C(F)C=C1F)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CNC(N)=O)C(O)=O	MOL77	NC(=O)NC*	COc1c(F)cc(F)cc1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
OC(=O)[C@H](CC1=CC=C(O)C=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(F)C(C=O)=C1	MOL78	Oc1ccc(C*)cc1	Fc1ccc(*)cc1C=O	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
OC(=O)[C@H](CSCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=C(F)C(F)=C(F)C(F)=C1F	MOL79	*CSCc1ccccc1	Fc1c(F)c(F)c(*)c(F)c1F	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
NC(=O)SC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC(F)=C1)C(O)=O	MOL80	NC(=O)SC*	Fc1cccc(*)c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
NC(=O)SC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC(\C=C\C(O)=O)=C1)C(O)=O	MOL81	NC(=O)SC*	OC(=O)\C=C\c1cccc(*)c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
OC(=O)C(NS(=O)(=O)C1=CC=C(C=C1)C1=CC(F)=C(F)C(F)=C1)C(C(F)(F)F)C(F)(F)F	MOL82	FC(F)(F)C(*)C(F)(F)F	Fc1cc(*)cc(F)c1F	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
OC(=O)[C@H](CC#N)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1	MOL83	*CC#N	*c1ccccc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
COC1=C(C)C=C(C=C1C)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC#N)C(O)=O	MOL84	*CC#N	COc1c(C)cc(*)cc1C	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
OC(=O)\C=C\C1=CC=CC(=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C(O)=O	MOL85	FC(F)(F)C(=O)NCCCC*	OC(=O)\C=C\c1cccc(*)c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
CC(=O)NCSC[C@@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(C)C(=C1)N(=O)=O)C(O)=O	MOL86	CC(=O)NCSC*	Cc1ccc(*)cc1N(=O)=O	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
CC(=O)NCSC[C@@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(F)C=C1C)C(O)=O	MOL87	CC(=O)NCSC*	Cc1cc(F)ccc1*	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
OCC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC(=C1)C(F)(F)F)C(O)=O	MOL88	OCC*	FC(F)(F)c1cccc(*)c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
CCC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCO)C(O)=O	MOL89	OCC*	CCc1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
COC1=CC=C(C=C1C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC1=CN=CN1)C(O)=O)C(C)C	MOL90	*Cc1cnc[nH]1	COc1ccc(cc1*)C(C)C	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
OC(=O)[C@H](CC1=CN=CN1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(F)C(C=O)=C1	MOL91	*Cc1cnc[nH]1	Fc1ccc(*)cc1C=O	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
COC1=CC=C(C2=CC=C(C=C2)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(O)=O)C(OC)=C1OC	MOL92	*Cc1c[nH]c2ccccc12	COc1ccc(*)c(OC)c1OC	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
COC1=CC=C(C(OC)=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](COC(C)(C)C)C(O)=O	MOL93	CC(C)(C)OC*	COc1ccc(*)c(OC)c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
CC1=CC=C(C=C1)S(=O)(=O)NC(=N)NCCC[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=C(F)C=CC(C)=C1Cl)C(O)=O	MOL94	Cc1ccc(cc1)S(=O)(=O)NC(=N)NCCC*	Cc1ccc(F)c(*)c1Cl	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
CC(=O)NC1=CC=CC(=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(O)=O)C1=CCC=CC1	MOL95	*C1=CCC=CC1	CC(=O)Nc1cccc(*)c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
OCC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(O)=O)C1=CCC=CC1	MOL96	*C1=CCC=CC1	OCc1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
OC(=O)[C@H](CSC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=C(F)C(F)=C(F)C(F)=C1F	MOL97	*CSc1ccccc1	Fc1c(F)c(F)c(*)c(F)c1F	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
OCC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC1=CC=CC(=C1)C#N)C(O)=O	MOL98	*Cc1cccc(c1)C#N	OCc1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
OC(=O)[C@H](CCCCNC(=O)C1=CC=CN=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC(OCC2=CC=CC=C2)=C1	MOL99	*CCCCNC(=O)c1cccnc1	*c1cccc(OCc2ccccc2)c1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A
NCC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CSC1=NC=CS1)C(O)=O	MOL100	*CSc1nccs1	NCc1ccc(*)cc1	OC(=O)[C@H](*)NS(=O)(=O)c1ccc(*)cc1	N/A