smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C[NH+]1CCCC1)Nc1ccc2cc3ccc(NC(=O)C[NH+]4CCCC4)cc3nc2c1	ZINC000013679549	563000755	/nfs/dbraw/zinc/00/07/55/563000755.db2.gz	RGHKPLRVHYUFND-UHFFFAOYSA-N	2	0	431.540	3.457	1	5		IGBFRP
C[NH+](C)CCNC(=O)c1ccc2c3c([nH]n2CC[NH+]2CCCCC2)c2cc(O)ccc2nc31	ZINC000026987543	563038647	/nfs/dbraw/zinc/03/86/47/563038647.db2.gz	OTKXDWWZLHVJBA-UHFFFAOYSA-N	2	0	448.571	3.154	1	5		IGBFRP
Cc1ccccc1-c1nn(-c2ccc([N+](=O)[O-])cc2)cc1C[NH2+]CCN1CC[NH+](C)CC1	ZINC000096938565	563199850	/nfs/dbraw/zinc/19/98/50/563199850.db2.gz	NCLBFCMPIVMVDI-UHFFFAOYSA-N	2	0	434.544	3.093	1	5		IGBFRP
C[NH+](C)CCN1C(=O)c2c3c4c[nH+]ccc4[nH]c3c3[nH]c4cc5c(cc4c3c2C1=O)OCO5	ZINC000040424776	563103068	/nfs/dbraw/zinc/10/30/68/563103068.db2.gz	OXJCYQHHZFUZIS-UHFFFAOYSA-N	2	0	441.447	3.237	1	5		IGBFRP
CC[NH+](CC)CCn1nc2c3c1ccc(NCC[NH2+]CCO)c3sc1ccc(O)cc21	ZINC000029324437	563077927	/nfs/dbraw/zinc/07/79/27/563077927.db2.gz	DOMGIMOQNJMAQB-UHFFFAOYSA-N	2	0	441.601	3.445	1	5		IGBFRP
C[NH+](C)CCNC(=O)c1ccc2c3c([nH]n2CC[NH+]2CCCCC2)c2cc(N)ccc2nc31	ZINC000026992472	563038768	/nfs/dbraw/zinc/03/87/68/563038768.db2.gz	DMVUHANOQXQZLL-UHFFFAOYSA-N	2	0	447.587	3.030	1	5		IGBFRP
CC(C)C[NH+](CCCN1CC[NH+](CCCNc2ccc([N+](=O)[O-])cn2)CC1)CC(C)C	ZINC000027209232	563040933	/nfs/dbraw/zinc/04/09/33/563040933.db2.gz	AFGBGMCOIBEMRZ-UHFFFAOYSA-N	2	0	434.629	3.414	1	5		IGBFRP
C[NH+](C)CCNC(=O)c1ccc2c3c([nH]n2CC[NH+]2CCCCC2)c2ccccc2nc31	ZINC000026985626	563038584	/nfs/dbraw/zinc/03/85/84/563038584.db2.gz	FYPHFEONFZZIFF-UHFFFAOYSA-N	2	0	432.572	3.448	1	5		IGBFRP
COc1ccc2nc3c4c(ccc3C(=O)NCC[NH+](C)C)n(CC[NH+]3CCCC3)[nH]c4c2c1	ZINC000027072863	563038965	/nfs/dbraw/zinc/03/89/65/563038965.db2.gz	DFQABMCHBLBSEO-UHFFFAOYSA-N	2	0	448.571	3.067	1	5		IGBFRP
NC(=[NH2+])c1ccc(OCCCCCCOc2ccc(C(N)=[NH2+])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000028250585	563052274	/nfs/dbraw/zinc/05/22/74/563052274.db2.gz	IOYRBKHINZZFQR-UHFFFAOYSA-N	2	0	444.448	3.089	1	5		IGBFRP