smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1O	ZINC000019597194	351350934	/nfs/dbraw/zinc/35/09/34/351350934.db2.gz	WUHCDCKCJILPAY-UHFFFAOYSA-N	-1	1	291.219	-0.248	40	10		CBCBMM
O=C1[N-]C(=S)S/C1=C\N1CCN(CCO)CC1	ZINC000584906251	355045861	/nfs/dbraw/zinc/04/58/61/355045861.db2.gz	JZNZUMYGXJSUPW-FPLPWBNLSA-N	-1	1	273.383	-0.414	40	10		CBCBMM
Nc1nc2[n-]c(/N=N/SCCO)nc2c(=O)[nH]1	ZINC000017312810	351346309	/nfs/dbraw/zinc/34/63/09/351346309.db2.gz	BDJOZVYRTVFGBS-BUHFOSPRSA-N	-1	1	255.263	-0.047	40	10		CBCBMM
O=C([O-])c1ccc(C=C2C(=O)NC(=O)NC2=O)o1	ZINC000069593590	304239953	/nfs/dbraw/zinc/23/99/53/304239953.db2.gz	VKHFUOVPHZIMCF-UHFFFAOYSA-N	-1	1	250.166	-0.273	40	10		CBCBMM
COCCOCCCNC=C1C(=O)[N-]C(=S)NC1=O	ZINC000024302239	351360868	/nfs/dbraw/zinc/36/08/68/351360868.db2.gz	PGVPBHJEAIHTNA-UHFFFAOYSA-N	-1	1	287.341	-0.956	40	10		CBCBMM
CN1C(=O)NC(=O)C(=CNCCCC(=O)[O-])C1=O	ZINC000408531538	353927285	/nfs/dbraw/zinc/92/72/85/353927285.db2.gz	KRYOCJHYSFTZKQ-AATRIKPKSA-N	-1	1	255.230	-0.967	40	10		CBCBMM
O=C([O-])c1cc(NC=C2C(=O)NC(=O)NC2=O)ccc1O	ZINC000016385543	518201527	/nfs/dbraw/zinc/20/15/27/518201527.db2.gz	KDCDFEDHIYVTMM-UHFFFAOYSA-N	-1	1	291.219	-0.248	40	10		CBCBMM