smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@@H]([NH3+])c1cc(Cl)ccc1[O-]	82725945	167046228	/nfs/dbraw/zinc/04/62/28/167046228.db2.gz	VIHHVFJPEJOXCE-SECBINFHSA-N	0	1	199.681	2.846	20	10		AFCDMN
CCC[C@H]([NH3+])c1cc(Cl)ccc1[O-]	82725944	167082921	/nfs/dbraw/zinc/08/29/21/167082921.db2.gz	VIHHVFJPEJOXCE-VIFPVBQESA-N	0	1	199.681	2.846	20	10		AFCDMN
CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-]	50273176	167283044	/nfs/dbraw/zinc/28/30/44/167283044.db2.gz	ZKDXSMFORRZPCK-ZETCQYMHSA-N	0	1	199.681	2.716	20	10		AFCDMN
CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-]	50273177	167296619	/nfs/dbraw/zinc/29/66/19/167296619.db2.gz	ZKDXSMFORRZPCK-SSDOTTSWSA-N	0	1	199.681	2.716	20	10		AFCDMN
CCC[NH2+]Cc1cc(Cl)ccc1[O-]	19519471	343057621	/nfs/dbraw/zinc/05/76/21/343057621.db2.gz	JFONBLPTQOCZMF-UHFFFAOYSA-N	0	1	199.681	2.545	20	10		AFCDMN
CC(C)[NH2+]Cc1cc(Cl)ccc1[O-]	19880757	343062902	/nfs/dbraw/zinc/06/29/02/343062902.db2.gz	AUMHXVPRRVJDKQ-UHFFFAOYSA-N	0	1	199.681	2.544	20	10		AFCDMN
Cc1n[nH]c(CC(C)C)c1CN=[N+]=[N-]	409439155	346703083	/nfs/dbraw/zinc/70/30/83/346703083.db2.gz	HKIJVKWUZKBFQW-UHFFFAOYSA-N	0	1	193.254	2.727	20	10		AFCDMN
Cc1n[nH]c(C2CCC2)c1CN=[N+]=[N-]	409440719	346705375	/nfs/dbraw/zinc/70/53/75/346705375.db2.gz	OFMMEQFVAOWKQA-UHFFFAOYSA-N	0	1	191.238	2.796	20	10		AFCDMN
CCc1n[nH]c(C(C)C)c1CN=[N+]=[N-]	409441027	346705967	/nfs/dbraw/zinc/70/59/67/346705967.db2.gz	PHAMBQXTBLMYLX-UHFFFAOYSA-N	0	1	193.254	2.906	20	10		AFCDMN
CCc1n[nH]c(C2CC2)c1CN=[N+]=[N-]	409441085	346706038	/nfs/dbraw/zinc/70/60/38/346706038.db2.gz	QDLNTDJQSXYBBR-UHFFFAOYSA-N	0	1	191.238	2.660	20	10		AFCDMN
Cc1n[nH]c(C(C)C)c1CN=[N+]=[N-]	409442339	346707482	/nfs/dbraw/zinc/70/74/82/346707482.db2.gz	YYMKAUXJERGGTP-UHFFFAOYSA-N	0	1	179.227	2.652	20	10		AFCDMN
CC(C)[C@@H]([NH3+])c1cc(Cl)ccc1[O-]	75854075	573711335	/nfs/dbraw/zinc/71/13/35/573711335.db2.gz	CQYGNCANTVAREV-SNVBAGLBSA-N	0	1	199.681	2.701	20	10		AFCDMN
CC(C)[C@H]([NH3+])c1cc(Cl)ccc1[O-]	75854074	573712525	/nfs/dbraw/zinc/71/25/25/573712525.db2.gz	CQYGNCANTVAREV-JTQLQIEISA-N	0	1	199.681	2.701	20	10		AFCDMN