smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)CNC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000012544839	570846237	/nfs/dbraw/zinc/84/62/37/570846237.db2.gz	RDMBHJJFVAFVSL-UHFFFAOYSA-N	-2	3	393.421	2.487	50	10		GECAHL
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C([O-])=C1SC(=S)[N-]C1=O	ZINC000138039042	532290832	/nfs/dbraw/zinc/29/08/32/532290832.db2.gz	PGTCGZXNHREYSE-QMMMGPOBSA-N	-2	3	382.772	2.383	50	10		GECAHL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1[O-]	ZINC000012338892	204398269	/nfs/dbraw/zinc/39/82/69/204398269.db2.gz	BARRCDBLZHTYCF-SDQBBNPISA-N	-2	3	388.763	2.426	50	10		GECAHL
COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1[O-]	ZINC000016195047	207074388	/nfs/dbraw/zinc/07/43/88/207074388.db2.gz	JHSDKYOJFXLYFH-YWEYNIOJSA-N	-2	3	393.227	2.494	50	10		GECAHL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1[O-]	ZINC000001174826	136196175	/nfs/dbraw/zinc/19/61/75/136196175.db2.gz	BARRCDBLZHTYCF-WUXMJOGZSA-N	-2	3	388.763	2.426	50	10		GECAHL
Cc1cc(C(=O)NCCc2nc([O-])c(C)c(=O)[n-]2)c(C)n1-c1ccccc1C	ZINC000156732402	570696715	/nfs/dbraw/zinc/69/67/15/570696715.db2.gz	SCVXQCJCYYTSQC-UHFFFAOYSA-N	-2	3	380.448	2.213	50	10		GECAHL
Cc1ccc(C(=O)n2[n-]c(-c3ccccc3[O-])c(CN3CCOCC3)c2=O)cc1	ZINC000248137241	570721008	/nfs/dbraw/zinc/72/10/08/570721008.db2.gz	DCETZMIMCNOGBU-GOSISDBHSA-N	-2	3	393.443	2.036	50	10		GECAHL
O=C(c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-])N1CCCC1	ZINC000024976980	570401017	/nfs/dbraw/zinc/40/10/17/570401017.db2.gz	WXUFLSQBFCXVFM-UHFFFAOYSA-N	-2	3	391.405	2.337	50	10		GECAHL
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C([O-])=C1SC(=S)[N-]C1=O	ZINC000138038937	532291080	/nfs/dbraw/zinc/29/10/80/532291080.db2.gz	PGTCGZXNHREYSE-MRVPVSSYSA-N	-2	3	382.772	2.383	50	10		GECAHL
COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1[O-]	ZINC000001194214	212227983	/nfs/dbraw/zinc/22/79/83/212227983.db2.gz	JHSDKYOJFXLYFH-XBXARRHUSA-N	-2	3	393.227	2.494	50	10		GECAHL
CCCNC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000032795143	570815294	/nfs/dbraw/zinc/81/52/94/570815294.db2.gz	XRPFKIPXFRSLOH-UHFFFAOYSA-N	-2	3	379.394	2.241	50	10		GECAHL