smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]/N=C/c1c([O-])ccc2ccccc21)c1cc(Cl)c(Cl)cc1Cl	ZINC000001657206	555708513	/nfs/dbraw/zinc/70/85/13/555708513.db2.gz	LGOXISZXBYBFGC-ZVBGSRNCSA-N	-2	3	429.712	4.818	40	30		IJEBHL
CCCc1nc(SC(=Cc2cn(Cc3ccc(C#N)cc3)c3ccccc23)C(=O)[O-])n[n-]1	ZINC000408631897	569286562	/nfs/dbraw/zinc/28/65/62/569286562.db2.gz	MXQCCZUSQAKZCD-MTJSOVHGSA-N	-2	3	443.532	4.850	40	30		IJEBHL
CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc(Cl)c1[O-]	ZINC000035656788	569262016	/nfs/dbraw/zinc/26/20/16/569262016.db2.gz	SQICJPAFCXRWTR-HLNFITAXSA-N	-2	3	446.912	4.766	40	30		IJEBHL
O=S(=O)([O-])c1ccc(NN=Cc2cc(C34CC5CC(CC(C5)C3)C4)ccc2[O-])cc1	ZINC000016427892	527261304	/nfs/dbraw/zinc/26/13/04/527261304.db2.gz	PCTYJHCLPXYJRE-ZVHZXABRSA-N	-2	3	426.538	4.553	40	30		IJEBHL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N=Cc3c([O-])ccc4ccccc43)cc2)n1	ZINC000254524349	568644755	/nfs/dbraw/zinc/64/47/55/568644755.db2.gz	ZVZHEPKQSCAJQF-UHFFFAOYSA-N	-2	3	432.505	4.504	40	30		IJEBHL
CCOc1cc(Br)c(Br)c(/C=N/c2ccc(C(=O)[O-])cc2)c1[O-]	ZINC000003141837	569440867	/nfs/dbraw/zinc/44/08/67/569440867.db2.gz	WCLKPXLBLMXFBM-UFWORHAWSA-N	-2	3	443.091	4.765	40	30		IJEBHL
CCCc1nc(SC(=Cc2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)[O-])n[n-]1	ZINC000408632836	569286533	/nfs/dbraw/zinc/28/65/33/569286533.db2.gz	UAXXCIQNUQZLMH-MTJSOVHGSA-N	-2	3	443.532	4.850	40	30		IJEBHL
O=S(=O)([N-]/N=C\c1c([O-])ccc2ccccc21)c1cc(Cl)c(Cl)cc1Cl	ZINC000017379855	556676925	/nfs/dbraw/zinc/67/69/25/556676925.db2.gz	LGOXISZXBYBFGC-NKVSQWTQSA-N	-2	3	429.712	4.818	40	30		IJEBHL
CC(C)C[C@H](c1c([O-])cc(O)c(C(=O)C(C)C)c1O)C1=C([O-])C(C)(C)C(=O)C(C)(C)C1=O	ZINC000100061131	557220417	/nfs/dbraw/zinc/22/04/17/557220417.db2.gz	ZGUNMNCNGJXADK-CYBMUJFWSA-N	-2	3	446.540	4.788	40	30	biogenic,in-vitro	IJEBHL
COc1cc(Br)c(Br)c(/C=N/c2ccc(C(=O)[O-])cc2C)c1[O-]	ZINC000003206095	569441691	/nfs/dbraw/zinc/44/16/91/569441691.db2.gz	TYEPINCBJIXAQA-FBCYGCLPSA-N	-2	3	443.091	4.683	40	30		IJEBHL
[O-]c1c(Br)cc(C=NN=c2[nH]c3ccccc3s2)c([O-])c1Br	ZINC000096600892	557838485	/nfs/dbraw/zinc/83/84/85/557838485.db2.gz	FJOXPIUAYXYVCO-FMQZQXMHSA-N	-2	3	443.120	4.679	40	30		IJEBHL
CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(Cl)c1[O-]	ZINC000035669438	569262188	/nfs/dbraw/zinc/26/21/88/569262188.db2.gz	XAEYZASDNHYYLH-ZRXYRDEMSA-N	-2	3	446.912	4.766	40	30		IJEBHL
CC(C)C[C@@H](c1c([O-])cc(O)c(C(=O)C(C)C)c1O)C1=C([O-])C(C)(C)C(=O)C(C)(C)C1=O	ZINC000100061129	557220459	/nfs/dbraw/zinc/22/04/59/557220459.db2.gz	ZGUNMNCNGJXADK-ZDUSSCGKSA-N	-2	3	446.540	4.788	40	30	biogenic,in-vitro	IJEBHL
CCCCCCCCCCCCCCCCNC(=O)CSc1nc([O-])cc(=O)[n-]1	ZINC000100999695	557281061	/nfs/dbraw/zinc/28/10/61/557281061.db2.gz	NFIZYHWJWIPVKY-UHFFFAOYSA-N	-2	3	425.639	4.720	40	30		IJEBHL
CCc1nc(SC(=Cc2cc(Cl)ccc2OCc2ccc(C#N)cc2)C(=O)[O-])n[n-]1	ZINC000408631676	569286475	/nfs/dbraw/zinc/28/64/75/569286475.db2.gz	LEVMHSTUUSPLQL-ZDLGFXPLSA-N	-2	3	440.912	4.689	40	30		IJEBHL