smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS/C(=N\C#N)Sc1ccccc1Oc1ccccc1C	ZINC000015443589	182002250	/nfs/dbraw/zinc/00/22/50/182002250.db2.gz	XKCBHDSXMDIWLP-FBMGVBCBSA-N	0	0	314.435	5.080	30	30		DKECRN
CS/C(=N\C#N)Sc1ccc(-c2ccccc2)c(Cl)c1	ZINC000015443608	182002322	/nfs/dbraw/zinc/00/23/22/182002322.db2.gz	YTKYHGBCDFTRFL-OBGWFSINSA-N	0	0	318.854	5.299	30	30		DKECRN
Fc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(F)(F)F	ZINC000063979955	184291442	/nfs/dbraw/zinc/29/14/42/184291442.db2.gz	GANZGARSDVDIAF-UHFFFAOYSA-N	0	0	308.196	5.530	30	30		DKECRN
Fc1ccc(-c2cccc(C(F)(F)F)c2)cc1C(F)(F)F	ZINC000063979960	184291329	/nfs/dbraw/zinc/29/13/29/184291329.db2.gz	PDNSFYAYCKXHOT-UHFFFAOYSA-N	0	0	308.196	5.530	30	30		DKECRN