smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCc1c([O-])nc(N)[n-]c1=O	12652142	166207205	/nfs/dbraw/zinc/20/72/05/166207205.db2.gz	SIEHFUXYYSUSQG-UHFFFAOYSA-N	-2	3	167.168	-0.214	50	30		ABEAHL
N#Cc1cc(C(=O)[O-])n[n-]1	72190618	169116046	/nfs/dbraw/zinc/11/60/46/169116046.db2.gz	NTSMOUACTOCHOU-UHFFFAOYSA-N	-2	3	137.098	-0.020	50	30		ABEAHL
N#Cc1c[n-]n2c(=O)[n-]c(=S)nc12	98181672	169129947	/nfs/dbraw/zinc/12/99/47/169129947.db2.gz	HCEIUSVSYUEJQC-UHFFFAOYSA-N	-2	3	193.191	-0.010	50	30		ABEAHL
Nc1nc(/C(=N/[O-])C(=O)[O-])cs1	6661600	169304435	/nfs/dbraw/zinc/30/44/35/169304435.db2.gz	URGSBEYHHRKMJL-BAQGIRSFSA-N	-2	3	187.180	-0.012	50	30		ABEAHL
O=C1NC(=N[O-])C(=N[O-])NC1=O	18173669	169315494	/nfs/dbraw/zinc/31/54/94/169315494.db2.gz	SCKFROVNGJHVLS-UHFFFAOYSA-N	-2	3	172.100	-0.512	50	30		ABEAHL
N#Cc1c([O-])cc[n-]c1=O	17163898	171031456	/nfs/dbraw/zinc/03/14/56/171031456.db2.gz	FQLSOJBBTVEIHX-UHFFFAOYSA-N	-2	3	136.110	-0.048	50	30	in-vitro	ABEAHL
O=C([O-])CCC(=O)N[O-]	4773048	171214905	/nfs/dbraw/zinc/21/49/05/171214905.db2.gz	AGEUQNZXCIVHPB-UHFFFAOYSA-N	-2	3	133.103	-0.643	50	30		ABEAHL
CC(C)N([O-])C(=O)C(=O)[O-]	5298708	343000681	/nfs/dbraw/zinc/00/06/81/343000681.db2.gz	QVIOSGUKMDGWNN-UHFFFAOYSA-N	-2	3	147.130	-0.303	50	30	in-vivo,metabolite	ABEAHL
C=C(CP(=O)([O-])[O-])C(=O)OC	64549505	343407658	/nfs/dbraw/zinc/40/76/58/343407658.db2.gz	OCAMAQVVROGPGJ-UHFFFAOYSA-N	-2	3	180.096	-0.107	50	30	in-vitro	ABEAHL
O=C([O-])[C@@H]1CC(=O)N([O-])C1	104705291	572088656	/nfs/dbraw/zinc/08/86/56/572088656.db2.gz	GQLQFYRRHGNPLR-GSVOUGTGSA-N	-2	3	145.114	-0.691	50	30		ABEAHL
O=C([O-])[C@H]1CC(=O)N([O-])C1	104705288	572087350	/nfs/dbraw/zinc/08/73/50/572087350.db2.gz	GQLQFYRRHGNPLR-VKHMYHEASA-N	-2	3	145.114	-0.691	50	30		ABEAHL