smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc(CNCCC[NH2+]C[C@@H]2CCC[C@@H](C[NH2+]CCCNCc3ccccc3)C2)cc1	ZINC000053098934	563141070	/nfs/dbraw/zinc/14/10/70/563141070.db2.gz	DEVRBOSLSZJYLW-VSGBNLITSA-N	2	3	436.688	4.332	1	0		IIAFHP
c1ccc(CNCCC[NH2+]C[C@@H]2CCC[C@H](C[NH2+]CCCNCc3ccccc3)C2)cc1	ZINC000006580042	562948165	/nfs/dbraw/zinc/94/81/65/562948165.db2.gz	DEVRBOSLSZJYLW-HNRBIFIRSA-N	2	3	436.688	4.332	1	0		IIAFHP
[NH3+]CCCNCc1ccc(Cn2c3cc(Cl)c(Cl)cc3nc2C2CC[NH2+]CC2)cc1	ZINC000003639579	562937203	/nfs/dbraw/zinc/93/72/03/562937203.db2.gz	JMQRZHPKOKWTDW-UHFFFAOYSA-N	2	3	446.426	4.297	1	0		IIAFHP
[NH3+]CCCC[NH2+]CCCNCCCCNC(=O)N1c2ccccc2Sc2ccccc21	ZINC000028705569	563062023	/nfs/dbraw/zinc/06/20/23/563062023.db2.gz	MXBHDQJXIIOJMJ-UHFFFAOYSA-N	2	3	441.645	4.087	1	0		IIAFHP
NC(=[NH2+])c1ccc2nc(CCCCCCCCc3nc4ccc(C(N)=[NH2+])cc4[nH]3)[nH]c2c1	ZINC000029471180	563080643	/nfs/dbraw/zinc/08/06/43/563080643.db2.gz	JRFGXXLXDHLUEU-UHFFFAOYSA-N	2	3	430.560	4.133	1	0		IIAFHP
[NH3+]CCCC[NH2+]CCCNCCCCNC(=O)N1c2ccccc2C=Cc2ccccc21	ZINC000028705549	563062019	/nfs/dbraw/zinc/06/20/19/563062019.db2.gz	MFKXQHNKPGJTDZ-UHFFFAOYSA-N	2	3	435.616	4.107	1	0		IIAFHP
c1ccc(CNCCC[NH2+]C[C@H]2CCC[C@H](C[NH2+]CCCNCc3ccccc3)C2)cc1	ZINC000053098929	563141017	/nfs/dbraw/zinc/14/10/17/563141017.db2.gz	DEVRBOSLSZJYLW-NSOVKSMOSA-N	2	3	436.688	4.332	1	0		IIAFHP