smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOCCN(C)c1ccc([NH3+])cc1	35359025	572021404	/nfs/dbraw/zinc/02/14/04/572021404.db2.gz	ZRIGMMFQIAPQQU-UHFFFAOYSA-N	1	2	194.278	1.742	20	10		ADCDLO
CC[NH2+]Cc1cc(F)cc(F)c1O	708558978	673993135	/nfs/dbraw/zinc/99/31/35/673993135.db2.gz	OAWTWRPAJWBTED-UHFFFAOYSA-N	1	2	187.189	1.780	20	10		ADCDLO
Oc1c(F)cc(F)cc1C[NH2+]C1CC1	708558299	673993308	/nfs/dbraw/zinc/99/33/08/673993308.db2.gz	DVGQVCPPFDHOJO-UHFFFAOYSA-N	1	2	199.200	1.922	20	10		ADCDLO
Oc1ccccc1C[NH2+]CC(F)F	147414497	582517074	/nfs/dbraw/zinc/51/70/74/582517074.db2.gz	JLAJFRICNRRGNB-UHFFFAOYSA-N	1	2	187.189	1.747	20	10		ADCDLO
COCCN(C)c1ccc([NH3+])cc1	20374569	168160799	/nfs/dbraw/zinc/16/07/99/168160799.db2.gz	UBMBWYARECKGQJ-UHFFFAOYSA-N	1	2	180.251	1.351	20	10	in-vitro	ADCDLO
[NH3+]Cc1c(O)cc(F)cc1F	82632316	169219193	/nfs/dbraw/zinc/21/91/93/169219193.db2.gz	OMXRWPLHYNFFNF-UHFFFAOYSA-N	1	2	159.135	1.129	20	10		ADCDLO
[NH3+]c1ccc(N2CC3(COC3)C2)cc1	224829259	344473473	/nfs/dbraw/zinc/47/34/73/344473473.db2.gz	WLUOCPFXVYOGEH-UHFFFAOYSA-N	1	2	190.246	1.105	20	10		ADCDLO