smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4nc5ccccc5nc4C)C3)CC2)cc1	ZINC000020877644	524431867	/nfs/dbraw/zinc/43/18/67/524431867.db2.gz	VIFAVEWTDZVVKY-JOCHJYFZSA-N	1	0	431.584	3.733	10	10		IHCERO
Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc12	ZINC000020114399	563023742	/nfs/dbraw/zinc/02/37/42/563023742.db2.gz	ACACNQSVUSCSPH-XBXARRHUSA-N	1	0	430.508	3.676	10	10		IHCERO
COc1ccc(OC)c(/C=C/C(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)c1	ZINC000020114397	563023782	/nfs/dbraw/zinc/02/37/82/563023782.db2.gz	VSWLIQCLPNOHSV-BJMVGYQFSA-N	1	0	446.551	3.964	10	10		IHCERO
CCCc1nc2c(cnn2-c2ccccc2)c(N2CC[NH+](Cc3ccccc3O)CC2)n1	ZINC000035925653	521541747	/nfs/dbraw/zinc/54/17/47/521541747.db2.gz	BZUWQQLRXYNSIM-UHFFFAOYSA-N	1	0	428.540	3.796	10	10		IHCERO
COc1ccc(N2CC[NH+](CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)c(OC)c1	ZINC000072106417	563163087	/nfs/dbraw/zinc/16/30/87/563163087.db2.gz	NVRRMHFWYSOBLH-UHFFFAOYSA-N	1	0	439.556	3.570	10	10		IHCERO
COc1ccc(/C=C\C(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)cc1OC	ZINC000064245777	563152471	/nfs/dbraw/zinc/15/24/71/563152471.db2.gz	KFOHUCYWGJGHPM-POHAHGRESA-N	1	0	446.551	3.964	10	10		IHCERO
COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4nc5ccccc5nc4C)C3)CC2)cc1	ZINC000020877647	524434300	/nfs/dbraw/zinc/43/43/00/524434300.db2.gz	VIFAVEWTDZVVKY-QFIPXVFZSA-N	1	0	431.584	3.733	10	10		IHCERO