smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1cc(NC2=[NH+]CCC2)cn1	217802837	167119817	/nfs/dbraw/zinc/11/98/17/167119817.db2.gz	ZIWUANNMARSQLX-UHFFFAOYSA-N	1	1	192.266	1.897	40	70		ADIBMO
Cn1c[nH+]c2c1CCCCC2	217695627	169055210	/nfs/dbraw/zinc/05/52/10/169055210.db2.gz	KQJYBAPYYNTEPX-UHFFFAOYSA-N	1	1	150.225	1.689	40	70		ADIBMO
Cc1c(NC2=[NH+]CCC2)cnn1C	217803672	344406730	/nfs/dbraw/zinc/40/67/30/344406730.db2.gz	XZIRGAUMZBXDLF-UHFFFAOYSA-N	1	1	178.239	1.333	40	70		ADIBMO
CC(C)[N@H+]1CCC2=C(CCC(=O)N2)C1	217545958	344403180	/nfs/dbraw/zinc/40/31/80/344403180.db2.gz	OOZGZOHSJMVNDR-UHFFFAOYSA-N	1	1	194.278	1.265	40	70		ADIBMO
Cc1nn(C)cc1NC1=[NH+]CCC1	217803484	344406552	/nfs/dbraw/zinc/40/65/52/344406552.db2.gz	GPNSIVYYNDLTKR-UHFFFAOYSA-N	1	1	178.239	1.333	40	70		ADIBMO
CCn1cc(NC2=[NH+]CCC2)cn1	217802619	344406615	/nfs/dbraw/zinc/40/66/15/344406615.db2.gz	JKZLYDPVHSCKJK-UHFFFAOYSA-N	1	1	178.239	1.507	40	70		ADIBMO
CCn1ncc(NC2=[NH+]CCC2)c1C	217803778	344406646	/nfs/dbraw/zinc/40/66/46/344406646.db2.gz	SUEMPRGGKXMRSJ-UHFFFAOYSA-N	1	1	192.266	1.816	40	70		ADIBMO
Cc1nn(C)c(C)c1NC1=[NH+]CCC1	217803880	344406752	/nfs/dbraw/zinc/40/67/52/344406752.db2.gz	PZEURQDZAWBZBL-UHFFFAOYSA-N	1	1	192.266	1.641	40	70		ADIBMO
CCn1cc(NC2=[NH+]CCCC2)cn1	217805723	344406756	/nfs/dbraw/zinc/40/67/56/344406756.db2.gz	PVCIUUNECMYUHP-UHFFFAOYSA-N	1	1	192.266	1.897	40	70		ADIBMO
CCn1cc(NC2=[NH+]CCC2)c(C)n1	217803570	344406766	/nfs/dbraw/zinc/40/67/66/344406766.db2.gz	KUVGBQLALKPCJN-UHFFFAOYSA-N	1	1	192.266	1.816	40	70		ADIBMO