smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1	5140277	VRZMESZQDKLNTR-LDADJPATSA-N	385.445	2.805	10	30	GFCC	
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]21	44960216	AXKOHGYOJFOPKE-GVRJEKJASA-N	376.413	2.760	10	30	GFCC	in-vitro
O=C1NC(=S)NC(=O)C1=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	1033128	ZHJXNHQHVRRCBF-UHFFFAOYSA-N	383.273	2.551	10	30	GFCC	
COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(cc3c(c2O)OCO3)CCN1C	14612456	LMGZCSKYOKDBES-WMZOPIPTSA-N	399.399	2.579	10	30	GFCC	endogenous,in-man
Cc1cc(-c2cc(N)c3c(c2O)C(=O)c2c(N)ccc(O)c2C3=O)ccc1O	5419658	WSZULUJFSWLUAF-UHFFFAOYSA-N	376.368	2.719	10	30	GFCC	
CN1CCN(c2ccc(CNS(=O)(=O)c3ccc(F)cc3Cl)cc2)CC1	4362634	YTSSIZTZUWIYCL-UHFFFAOYSA-N	397.903	2.709	10	30	GFCC	
CCC1=CCc2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O	5819529	DUESSPZZBNOZKI-ZDUSSCGKSA-N	394.379	2.728	10	30	GFCC	
O=C(O)c1ccccc1C(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1	1028154	IUSFLEYPTHEYEQ-UHFFFAOYSA-N	394.456	2.866	10	30	GFCC	
Cc1nn(C)c2sc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc12	4362585	PWRXNQHYEMJSCE-UHFFFAOYSA-N	383.521	2.625	10	30	GFCC	
COc1ccc(-c2cc(O)c3c(c2N)C(=O)c2c(O)ccc(N)c2C3=O)cc1	5319364	XDWMUDQKNPIWDS-UHFFFAOYSA-N	376.368	2.713	10	30	GFCC	
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])[C@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]21	255963535	AXKOHGYOJFOPKE-ZVDSWSACSA-N	376.413	2.760	10	30	GFCC	in-vitro
COc1cc(/N=N/c2cc(C(=O)O)c(O)c(S(=O)(=O)O)c2)c(C)cc1N	111851591	ZDLFHKYUFGJLLU-ISLYRVAYSA-N	381.366	2.652	10	30	GFCC	
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]21	255963533	AXKOHGYOJFOPKE-NPJQDHAYSA-N	376.413	2.760	10	30	GFCC	in-vitro
Cc1ccc(-c2cc(O)c3c(c2N)C(=O)c2c(O)ccc(N)c2C3=O)c(O)c1	196585251	JZCSUEKFTVOTSY-UHFFFAOYSA-N	376.368	2.719	10	30	GFCC	
CC(=O)N1CC(=O)N(Cc2ccccc2)C(=Cc2ccc(N(C)C)cc2)C1=O	2265278928	ABDQBRNJEWLVQW-UHFFFAOYSA-N	377.444	2.511	10	30	GFCC	
O=C1c2c([N+](=O)[O-])cc(Cl)c(O)c2C(=O)c2c([N+](=O)[O-])cc(Cl)c(O)c21	114702526	TXYTTXSUKPOZPN-UHFFFAOYSA-N	399.098	2.996	10	30	GFCC	
Cc1cc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)s1	4362658	JEPYDRIKKCWFRT-UHFFFAOYSA-N	379.551	2.595	10	30	GFCC	
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1	33953768	VRZMESZQDKLNTR-PDGQHHTCSA-N	385.445	2.805	10	30	GFCC	
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])[C@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@@H]21	255963534	AXKOHGYOJFOPKE-RFBLXINOSA-N	376.413	2.760	10	30	GFCC	in-vitro
Nc1c(OC[C@@]2(CO)CC=CCC2)cc(O)c2c1C(=O)c1ccccc1C2=O	5162645	ZPOLNEJTJYBGAR-QFIPXVFZSA-N	379.412	2.847	10	30	GFCC	
Nc1c(OC[C@]2(CO)CC=CCC2)cc(O)c2c1C(=O)c1ccccc1C2=O	5162646	ZPOLNEJTJYBGAR-JOCHJYFZSA-N	379.412	2.847	10	30	GFCC