smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1)oc(=O)cc2-c1sc2ccccc2c1O	ZINC000012973938	563375825	/nfs/dbraw/zinc/37/58/25/563375825.db2.gz	RKRPFFFGZBRJOS-UHFFFAOYSA-N	0	2	324.357	4.389	50	10		DICALN
COc1ccc(NN=C2C(C)=NN(c3ccccc3)C2=O)cc1	ZINC000100478047	563550920	/nfs/dbraw/zinc/55/09/20/563550920.db2.gz	SBNTXAIGPHOYFZ-VHEBQXMUSA-N	0	2	308.341	4.310	50	10		DICALN
Cc1ccc(/C(O)=C/c2nc3cc(Cl)ccc3oc2=O)cc1	ZINC000102649285	563661132	/nfs/dbraw/zinc/66/11/32/563661132.db2.gz	FRUNFCQOXMYJBB-DHDCSXOGSA-N	0	2	313.740	4.206	50	10		DICALN
CCC1=N[C@@H](c2cc(Cl)cc(Cl)c2O)N(O)C1(C)C	ZINC000023115395	1039044055	/nfs/dbraw/zinc/04/40/55/1039044055.db2.gz	ZDHKEHHSRYNCGO-GFCCVEGCSA-N	0	2	303.189	4.032	50	10		DICALN
COc1ccc(NN=C2C(C)=NN(c3ccccc3)C2=O)cc1	ZINC000252627788	563919434	/nfs/dbraw/zinc/91/94/34/563919434.db2.gz	SBNTXAIGPHOYFZ-UHFFFAOYSA-N	0	2	308.341	4.310	50	10		DICALN
CCC1=N[C@H](c2cc(Cl)cc(Cl)c2O)N(O)C1(C)C	ZINC000023115397	1039045839	/nfs/dbraw/zinc/04/58/39/1039045839.db2.gz	ZDHKEHHSRYNCGO-LBPRGKRZSA-N	0	2	303.189	4.032	50	10		DICALN