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-])c1cc(Cl)ccc1N=NC1SC(=S)NC1=O	ZINC000245238752	304224311	/nfs/dbraw/zinc/22/43/11/304224311.db2.gz	AMSWTIQJTHNRHT-MRVPVSSYSA-N	-1	2	315.763	2.596	50	10		DFCALM
O=C([O-])c1cc(Cl)ccc1N=N[C@@H]1SC(=S)NC1=O	ZINC000245238752	304224314	/nfs/dbraw/zinc/22/43/14/304224314.db2.gz	AMSWTIQJTHNRHT-MRVPVSSYSA-N	-1	2	315.763	2.596	50	10		DFCALM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccnc2)SC1=S	ZINC000005478460	181248081	/nfs/dbraw/zinc/24/80/81/181248081.db2.gz	PDLXKDSFGPYGIB-QBQSQJOESA-N	-1	2	322.411	2.536	50	10		DFCALM
O=C([O-])c1cc(Cl)ccc1N=NC1SC(=S)NC1=O	ZINC000245238753	304224428	/nfs/dbraw/zinc/22/44/28/304224428.db2.gz	AMSWTIQJTHNRHT-QMMMGPOBSA-N	-1	2	315.763	2.596	50	10		DFCALM
O=C([O-])c1cc(Cl)ccc1N=N[C@H]1SC(=S)NC1=O	ZINC000245238753	304224431	/nfs/dbraw/zinc/22/44/31/304224431.db2.gz	AMSWTIQJTHNRHT-QMMMGPOBSA-N	-1	2	315.763	2.596	50	10		DFCALM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccnc2)SC1=S	ZINC000005478461	181248042	/nfs/dbraw/zinc/24/80/42/181248042.db2.gz	PDLXKDSFGPYGIB-PAKSIRSJSA-N	-1	2	322.411	2.536	50	10		DFCALM
C[C@H](C(=O)[O-])N1C(=O)/C(=C\C=C\c2ccccc2)SC1=S	ZINC000026771426	182452620	/nfs/dbraw/zinc/45/26/20/182452620.db2.gz	RQIXEAFWAIGPAL-RFQRVQLJSA-N	-1	2	319.407	2.917	50	10		DFCALM