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)=O)[C@@H](N)C(=O)[O-]	1590290	166111733	/nfs/dbraw/zinc/11/17/33/166111733.db2.gz	GFQKEKUFTSJNBA-GSVOUGTGSA-N	-1	1	144.130	-1.560	40	30		AAEBMM
C=C(C(N)=O)[C@H](N)C(=O)[O-]	5600811	166112751	/nfs/dbraw/zinc/11/27/51/166112751.db2.gz	GFQKEKUFTSJNBA-VKHMYHEASA-N	-1	1	144.130	-1.560	40	30		AAEBMM
N/C(=N\O)NCC[C@@H]([NH3+])C(=O)[O-]	5975459	169132272	/nfs/dbraw/zinc/13/22/72/169132272.db2.gz	KOBHCUDVWOTEKO-GSVOUGTGSA-N	-1	1	176.176	-1.918	40	30	in-vitro	AAEBMM
NC(=O)C1=C([O-])NC(=O)C1=O	5566459	169147841	/nfs/dbraw/zinc/14/78/41/169147841.db2.gz	BTVBGSMPURCZLW-UHFFFAOYSA-N	-1	1	156.097	-2.060	40	30		AAEBMM
O=Cc1c([O-])[nH]c(=O)[nH]c1=O	100293202	169395953	/nfs/dbraw/zinc/39/59/53/169395953.db2.gz	BGLZMCSABBNRIJ-UHFFFAOYSA-N	-1	1	156.097	-1.833	40	30		AAEBMM
N#CCCN[C@@H](CO)C(=O)[O-]	1703606	171001686	/nfs/dbraw/zinc/00/16/86/171001686.db2.gz	UTFROKFOELZWKE-YFKPBYRVSA-N	-1	1	158.157	-1.065	40	30		AAEBMM
N#CCCN[C@H](CO)C(=O)[O-]	5410735	207351259	/nfs/dbraw/zinc/35/12/59/207351259.db2.gz	UTFROKFOELZWKE-RXMQYKEDSA-N	-1	1	158.157	-1.065	40	30		AAEBMM
CN1C(=N)C(=NO)C(=O)[N-]C1=O	299888337	344957209	/nfs/dbraw/zinc/95/72/09/344957209.db2.gz	FXTBDNVUTFHTTK-UHFFFAOYSA-N	-1	1	170.128	-1.025	40	30		AAEBMM