smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)C(=O)N([O-])C(C)(C)C(=O)N1[O-]	ZINC000000135789	383833856	/nfs/dbraw/zinc/83/38/56/383833856.db2.gz	CKULDOGZGMGAMT-UHFFFAOYSA-N	-2	3	202.210	-0.007	50	30		BBEAHL
C=CCn1c([O-])c(C(C)=O)c(=O)[n-]c1=S	ZINC000000477893	166350317	/nfs/dbraw/zinc/35/03/17/166350317.db2.gz	WVXPLRGGKFJXDJ-LURJTMIESA-N	-2	3	226.257	-0.379	50	30		BBEAHL
C=CCn1c([O-])c(C(C)=O)c(=O)[n-]c1=S	ZINC000000477894	166350910	/nfs/dbraw/zinc/35/09/10/166350910.db2.gz	WVXPLRGGKFJXDJ-ZCFIWIBFSA-N	-2	3	226.257	-0.379	50	30		BBEAHL
C=CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]	ZINC000003075225	166342860	/nfs/dbraw/zinc/34/28/60/166342860.db2.gz	BZIDMYLHMFSOPQ-UHFFFAOYSA-N	-4	3	245.108	-0.255	50	30		BBEAHL
O=C1Nc2ccccc2C1=N[N-]c1nn[n-]n1	ZINC000004498980	384381863	/nfs/dbraw/zinc/38/18/63/384381863.db2.gz	XEXLCDODRYLRCH-UHFFFAOYSA-N	-2	3	229.203	-0.032	50	30		BBEAHL
O=c1[n-][n-]c(=O)n1N=Cc1ccc([N+](=O)[O-])cc1	ZINC000004990335	343273631	/nfs/dbraw/zinc/27/36/31/343273631.db2.gz	SACXHUJMDZHPBE-BJMVGYQFSA-N	-2	3	249.186	-0.345	50	30		BBEAHL
C=CCNC(=O)CSc1nc([O-])cc(=O)[n-]1	ZINC000005129562	166371804	/nfs/dbraw/zinc/37/18/04/166371804.db2.gz	RHPBUJSNANEXLK-UHFFFAOYSA-N	-2	3	241.272	-0.130	50	30		BBEAHL
N#CCCN(CC(=O)[O-])CP(=O)([O-])[O-]	ZINC000005479803	181036939	/nfs/dbraw/zinc/03/69/39/181036939.db2.gz	HWXVBJHDMWWTEB-UHFFFAOYSA-N	-3	3	222.137	-0.578	50	30		BBEAHL
CCOC(=O)C(C#N)=N[N-]c1nnn[n-]1	ZINC000009434459	170181396	/nfs/dbraw/zinc/18/13/96/170181396.db2.gz	RMXGHRRSAYCDQS-XBXARRHUSA-N	-2	3	209.169	-0.946	50	30		BBEAHL
Cc1nonc1C1=NNC(=N\[O-])/C1=N\[O-]	ZINC000013810301	342872163	/nfs/dbraw/zinc/87/21/63/342872163.db2.gz	XIUHTKHCIDAZCM-UHFFFAOYSA-N	-2	3	210.153	-0.697	50	30		BBEAHL
O=C([O-])C(=CNC1=NCCS1)C(=O)[O-]	ZINC000097756671	384554101	/nfs/dbraw/zinc/55/41/01/384554101.db2.gz	CYBJMBDYGDZDLY-UHFFFAOYSA-N	-2	3	216.218	-0.268	50	30		BBEAHL