smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CC[C@@H](C(=O)Nc2ncccc2[O-])O1	ZINC000159561483	385625600	/nfs/dbraw/zinc/62/56/00/385625600.db2.gz	PFDBEXDNCYYKTK-APPZFPTMSA-N	-1	3	222.244	1.293	10	70		BDIEHM
[O-]C(=Cc1cncs1)c1ccncn1	ZINC000159689737	350973372	/nfs/dbraw/zinc/97/33/72/350973372.db2.gz	YOCOOIYRMFXALY-UHFFFAOYSA-N	-1	3	205.242	1.359	10	70		BDIEHM
Cn1ccc(C([O-])=Cc2cncs2)n1	ZINC000159691738	350974829	/nfs/dbraw/zinc/97/48/29/350974829.db2.gz	ZWEBOKZLHCHFKL-UHFFFAOYSA-N	-1	3	207.258	1.302	10	70		BDIEHM
Cn1c2[n-]c(=O)cc(C(F)F)c2n(C)c1=S	ZINC000217014654	385876405	/nfs/dbraw/zinc/87/64/05/385876405.db2.gz	IYRZDYNYKFCAEM-UHFFFAOYSA-N	-1	3	245.254	1.872	10	70		BDIEHM
C[C@H]1CC[C@H](C(=O)Nc2ccccc2[O-])O1	ZINC000159572713	323038206	/nfs/dbraw/zinc/03/82/06/323038206.db2.gz	PGVNDQZZCDDWEO-GZMMTYOYSA-N	-1	3	221.256	1.898	10	70		BDIEHM
CC(C)CNC(=O)[N-]C1=NCCS1	ZINC000217269527	345434991	/nfs/dbraw/zinc/43/49/91/345434991.db2.gz	WRHLVEMZLSQNRY-UHFFFAOYSA-N	-1	3	201.295	1.044	10	70		BDIEHM
C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2[O-])O1	ZINC000159572783	323038174	/nfs/dbraw/zinc/03/81/74/323038174.db2.gz	PGVNDQZZCDDWEO-KCJUWKMLSA-N	-1	3	221.256	1.898	10	70		BDIEHM
C[C@H]1CC[C@H](C(=O)Nc2ncccc2[O-])O1	ZINC000159561340	385626219	/nfs/dbraw/zinc/62/62/19/385626219.db2.gz	PFDBEXDNCYYKTK-IONNQARKSA-N	-1	3	222.244	1.293	10	70		BDIEHM
C[C@H]1CC[C@@H](C(=O)Nc2ccccc2[O-])O1	ZINC000159572931	323038192	/nfs/dbraw/zinc/03/81/92/323038192.db2.gz	PGVNDQZZCDDWEO-KWQFWETISA-N	-1	3	221.256	1.898	10	70		BDIEHM
C[C@H]1CC[C@@H](C(=O)Nc2ncccc2[O-])O1	ZINC000159561623	385626849	/nfs/dbraw/zinc/62/68/49/385626849.db2.gz	PFDBEXDNCYYKTK-CBAPKCEASA-N	-1	3	222.244	1.293	10	70		BDIEHM