smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCNc1ccc2c(=O)n(CC[NH+](C)C)c(=O)n3c4ccc(O)cc4c(=O)c1c23	ZINC000003842151	562939103	/nfs/dbraw/zinc/93/91/03/562939103.db2.gz	LZUSOTZODKLCQV-UHFFFAOYSA-N	2	0	437.500	0.806	1	5		ICBFRP
C[NH+](C)CCNc1ccc2c3c1c(=O)c1cc(N)ccc1n3c(=O)n(CC[NH+](C)C)c2=O	ZINC000003842154	562939092	/nfs/dbraw/zinc/93/90/92/562939092.db2.gz	HVGHXUABOZQFRM-UHFFFAOYSA-N	2	0	436.516	0.683	1	5		ICBFRP
C[NH+](C)CCn1c(=O)c2ccc(NCC[NH2+]CCO)c3c(=O)c4ccccc4n(c1=O)c23	ZINC000005581649	562944334	/nfs/dbraw/zinc/94/43/34/562944334.db2.gz	KRVHAHXMDDSFRQ-UHFFFAOYSA-N	2	0	437.500	0.121	1	5		ICBFRP
O=C(NCC[NH2+]CCO)c1ccc(NCC[NH2+]CCO)c2c(=O)c3ccccc3[nH]c12	ZINC000013652292	562999288	/nfs/dbraw/zinc/99/92/88/562999288.db2.gz	SQECZDZKDQCRGJ-UHFFFAOYSA-N	2	0	427.505	0.399	1	5		ICBFRP
Cn1cc(NC(=O)c2cc(NC(=N)C[N+](C)(C)C)cn2C)cc1C(=O)NCCC(N)=[NH2+]	ZINC000028230520	563051893	/nfs/dbraw/zinc/05/18/93/563051893.db2.gz	WSZLRJJLJLINOI-UHFFFAOYSA-O	2	0	430.537	0.767	1	5		ICBFRP
C[N+](C)(C)CCn1c(=O)c2ccc3c(=O)n(CC[N+](C)(C)C)c(=O)c4ccc(c1=O)c2c34	ZINC000028640057	563060050	/nfs/dbraw/zinc/06/00/50/563060050.db2.gz	MUZHPAZFPAJEEP-UHFFFAOYSA-N	2	0	438.528	0.478	1	5		ICBFRP