smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCN1c2ccccc2[C@@]2(C1=O)c1c(nc(N3CCOCC3)[n-]c1=O)NC([O-])=C2C#N	ZINC000040385307	569824327	/nfs/dbraw/zinc/82/43/27/569824327.db2.gz	LSMRYEDWUHQDDY-GYCJOSAFSA-N	-2	3	462.510	1.601	40	30		JDEBHL
CCCCCN1c2ccccc2[C@@]2(C1=O)c1c(nc(N3CCOCC3)[n-]c1=O)NC([O-])=C2C#N	ZINC000040385301	569824347	/nfs/dbraw/zinc/82/43/47/569824347.db2.gz	LSMRYEDWUHQDDY-FYSMJZIKSA-N	-2	3	462.510	1.601	40	30		JDEBHL
CCCCCN1c2ccccc2[C@]2(C1=O)c1c(nc(N3CCOCC3)[n-]c1=O)NC([O-])=C2C#N	ZINC000040385304	569824393	/nfs/dbraw/zinc/82/43/93/569824393.db2.gz	LSMRYEDWUHQDDY-UPCLLVRISA-N	-2	3	462.510	1.601	40	30		JDEBHL
CCCCCN1c2ccccc2[C@]2(C1=O)c1c(nc(N3CCOCC3)[n-]c1=O)NC([O-])=C2C#N	ZINC000040385310	569824332	/nfs/dbraw/zinc/82/43/32/569824332.db2.gz	LSMRYEDWUHQDDY-VOIUYBSRSA-N	-2	3	462.510	1.601	40	30		JDEBHL
Cc1ccc(NN=c2[n-]c3nonc3nc2N=NCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])cc1	ZINC000408721092	570026692	/nfs/dbraw/zinc/02/66/92/570026692.db2.gz	KIVGJEFOOCWTDM-UWVJOHFNSA-N	-2	3	466.374	1.572	40	30		JDEBHL
Cc1ccc(NN=c2[n-]c3nonc3nc2NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])cc1	ZINC000408721092	570026694	/nfs/dbraw/zinc/02/66/94/570026694.db2.gz	KIVGJEFOOCWTDM-UWVJOHFNSA-N	-2	3	466.374	1.572	40	30		JDEBHL