smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@](C#N)(NC(=O)CSc1ccccc1C(=O)[O-])C1CC1	ZINC000037417589	182891283	/nfs/dbraw/zinc/89/12/83/182891283.db2.gz	IXWAHTMBLPXJMP-OAHLLOKOSA-N	-1	2	304.371	2.285	10	30		DEEELM
COc1ccc(Cl)c2c1C(=O)N(CCCC(=O)[O-])[C@H]2C#N	ZINC000071680835	191007360	/nfs/dbraw/zinc/00/73/60/191007360.db2.gz	SJSQNKFSCWDJHN-VIFPVBQESA-N	-1	2	308.721	2.234	10	30		DEEELM
COc1ccc(Cl)c2c1C(=O)N(CCCC(=O)[O-])C2C#N	ZINC000071680835	191007362	/nfs/dbraw/zinc/00/73/62/191007362.db2.gz	SJSQNKFSCWDJHN-VIFPVBQESA-N	-1	2	308.721	2.234	10	30		DEEELM
COc1ccc(Cl)c2c1C(=O)N(CCCC(=O)[O-])[C@@H]2C#N	ZINC000071680834	191007821	/nfs/dbraw/zinc/00/78/21/191007821.db2.gz	SJSQNKFSCWDJHN-SECBINFHSA-N	-1	2	308.721	2.234	10	30		DEEELM
COc1ccc(Cl)c2c1C(=O)N(CCCC(=O)[O-])C2C#N	ZINC000071680834	191007824	/nfs/dbraw/zinc/00/78/24/191007824.db2.gz	SJSQNKFSCWDJHN-SECBINFHSA-N	-1	2	308.721	2.234	10	30		DEEELM
N#Cc1ccc(Nc2nnc(SCC(=O)[O-])s2)c(F)c1	ZINC000168441204	197722554	/nfs/dbraw/zinc/72/25/54/197722554.db2.gz	PQCBUYRDZXBZBD-UHFFFAOYSA-N	-1	2	310.335	2.469	10	30		DEEELM
C=C[C@H](C)NS(=O)(=O)c1ccc(OCCC)c(C(=O)[O-])c1	ZINC000159721467	186137502	/nfs/dbraw/zinc/13/75/02/186137502.db2.gz	BIMNUPRVBOFLFZ-JTQLQIEISA-N	-1	2	313.375	2.026	10	30		DEEELM
C=C[C@@H](C)NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1	ZINC000159719404	186137464	/nfs/dbraw/zinc/13/74/64/186137464.db2.gz	NWKCYFGPVDRXON-ZCFIWIBFSA-N	-1	2	307.730	2.030	10	30		DEEELM
O=C([O-])c1cc(/N=C/c2cc([N+](=O)[O-])ccc2O)ccc1O	ZINC000004949359	181178225	/nfs/dbraw/zinc/17/82/25/181178225.db2.gz	KXJYBXUIIIFORF-VIZOYTHASA-N	-1	2	302.242	2.455	10	30		DEEELM
C=C[C@H](C)NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1	ZINC000159719270	186137358	/nfs/dbraw/zinc/13/73/58/186137358.db2.gz	NWKCYFGPVDRXON-LURJTMIESA-N	-1	2	307.730	2.030	10	30		DEEELM
C=C[C@@H](C)NS(=O)(=O)c1ccc(OCCC)c(C(=O)[O-])c1	ZINC000159721584	186137408	/nfs/dbraw/zinc/13/74/08/186137408.db2.gz	BIMNUPRVBOFLFZ-SNVBAGLBSA-N	-1	2	313.375	2.026	10	30		DEEELM
O=C([O-])c1ccc(NN=Cc2cccc([N+](=O)[O-])c2O)cc1	ZINC000005511400	304245979	/nfs/dbraw/zinc/24/59/79/304245979.db2.gz	VCMYFRWLUJOTHM-OVCLIPMQSA-N	-1	2	301.258	2.445	10	30		DEEELM