smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1[nH]c(C(=O)OCC)c(O)c1O	ZINC000001608645	170282861	/nfs/dbraw/zinc/28/28/61/170282861.db2.gz	JQAKUNSBLLMPTE-OLQVQODUSA-N	-1	0	243.215	-1.409	40	10		BACBRM
CCOC(=O)c1[nH]c(C(=O)OCC)c(O)c1O	ZINC000001608646	170282898	/nfs/dbraw/zinc/28/28/98/170282898.db2.gz	JQAKUNSBLLMPTE-WDSKDSINSA-N	-1	0	243.215	-1.409	40	10		BACBRM
O=C([C@H](O)CO)[C@H](O)C1NNC(S)NN1	ZINC000004018037	183114174	/nfs/dbraw/zinc/11/41/74/183114174.db2.gz	LGVKIZKQKNTEPW-UZBSEBFBSA-N	-1	0	238.269	-4.126	40	10		BACBRM
CC(CO)(CO)NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000006190909	385071996	/nfs/dbraw/zinc/07/19/96/385071996.db2.gz	YOLGQSKYVIAIHX-UHFFFAOYSA-N	-1	0	243.219	-2.431	40	10		BACBRM
O=C1[N-]C(=O)C(=CNc2nc[nH]n2)C(=O)N1	ZINC000010434969	342836129	/nfs/dbraw/zinc/83/61/29/342836129.db2.gz	PUYIXUJNCQTYRU-UHFFFAOYSA-N	-1	0	222.164	-1.534	40	10		BACBRM
O=C1[N-]C(=O)C(=CNn2cnnc2)C(=O)N1	ZINC000014138003	342877568	/nfs/dbraw/zinc/87/75/68/342877568.db2.gz	VSWQNAMLDINSDG-UHFFFAOYSA-N	-1	0	222.164	-1.929	40	10		BACBRM
CN1C(=O)[N-]C(=O)/C(=C\NNC(N)=S)C1=O	ZINC000408534285	383953509	/nfs/dbraw/zinc/95/35/09/383953509.db2.gz	QDRRKMOGMIKYGC-NSCUHMNNSA-N	-1	0	243.248	-2.084	40	10		BACBRM