smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1	ZINC000514391472	1071108172	/nfs/dbraw/zinc/10/81/72/1071108172.db2.gz	KSGCJWCOESMDBZ-AREMUKBSSA-N	0	3	505.688	5.282	20	30		KKEDHN
CCn1cc(NC(=S)C(=C([O-])C2=C(C)C(C(C)=O)C(C)=N2)[n+]2ccc(Cc3ccccc3)cc2)cn1	ZINC000726178085	1072907003	/nfs/dbraw/zinc/90/70/03/1072907003.db2.gz	ATFHHOGEUXXUGM-UHFFFAOYSA-O	0	3	500.648	5.099	20	30		KKEDHN
C=CCn1c(CCN2CCCCC2)nnc1SCc1nc(=O)c2c(-c3ccc(C)s3)csc2[nH]1	ZINC000514390803	1071107314	/nfs/dbraw/zinc/10/73/14/1071107314.db2.gz	CHCFVADAPBGTQD-UHFFFAOYSA-N	0	3	512.730	5.532	20	30		KKEDHN
C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1	ZINC000514391473	1071108243	/nfs/dbraw/zinc/10/82/43/1071108243.db2.gz	KSGCJWCOESMDBZ-SANMLTNESA-N	0	3	505.688	5.282	20	30		KKEDHN
C=C(C)[C@@H]1CC[C@]2(C(=O)OCC(N)(CO)CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	ZINC000043205335	562647001	/nfs/dbraw/zinc/64/70/01/562647001.db2.gz	KQZVSTAVTJCKDG-DRSBITMPSA-N	0	3	601.869	5.801	20	30	in-vivo	KKEDHN