smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@H](c1cccc(Br)c1)c1c([O-])ccc2ccccc21	ZINC000032098971	202221756	/nfs/dbraw/zinc/22/17/56/202221756.db2.gz	ACGBRGNJXYICEP-QGZVFWFLSA-N	0	3	328.209	4.356	10	10		EICEHN
[NH3+][C@@H](c1cccc(Br)c1)c1c([O-])ccc2ccccc21	ZINC000032098970	202221840	/nfs/dbraw/zinc/22/18/40/202221840.db2.gz	ACGBRGNJXYICEP-KRWDZBQOSA-N	0	3	328.209	4.356	10	10		EICEHN
COc1cccc(CN[C@H](C)c2ccccc2Br)c1O	ZINC000036945580	526036661	/nfs/dbraw/zinc/03/66/61/526036661.db2.gz	PHAPQSZGOMJVOQ-LLVKDONJSA-N	0	3	336.229	4.014	10	10		EICEHN
COc1ccc(O)c(CN[C@@H](C)c2ccccc2Br)c1	ZINC000036945339	524754116	/nfs/dbraw/zinc/75/41/16/524754116.db2.gz	MGLFXXZYVGDAEC-NSHDSACASA-N	0	3	336.229	4.014	10	10		EICEHN
COc1ccc(O)c(CN[C@H](C)c2ccccc2Br)c1	ZINC000036945340	524754849	/nfs/dbraw/zinc/75/48/49/524754849.db2.gz	MGLFXXZYVGDAEC-LLVKDONJSA-N	0	3	336.229	4.014	10	10		EICEHN
COc1cccc(CN[C@@H](C)c2ccccc2Br)c1O	ZINC000036945579	526032500	/nfs/dbraw/zinc/03/25/00/526032500.db2.gz	PHAPQSZGOMJVOQ-NSHDSACASA-N	0	3	336.229	4.014	10	10		EICEHN
CCNCc1ccc(Br)cc1Sc1nccs1	ZINC000104293413	219371026	/nfs/dbraw/zinc/37/10/26/219371026.db2.gz	YDUJMPYMCUXBJH-UHFFFAOYSA-N	0	3	329.288	4.166	10	10		EICEHN
Brc1ccc(CNC2CC2)c(Sc2nccs2)c1	ZINC000104286380	219370802	/nfs/dbraw/zinc/37/08/02/219370802.db2.gz	XOXHEEHWOYITKJ-UHFFFAOYSA-N	0	3	341.299	4.309	10	10		EICEHN