smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2c1cc(C(=O)NCc1ccc([N+](C)(C)C)cc1)n2Cc1cccc(C(N)=[NH2+])c1	ZINC000001490439	562920345	/nfs/dbraw/zinc/92/03/45/562920345.db2.gz	WIMHXWXNMBNFDL-UHFFFAOYSA-O	2	0	454.598	4.409	1	10		JICFRP
COc1ccc2cc(C(=O)NCc3ccc([N+](C)(C)C)cc3)n(Cc3cccc(C(N)=[NH2+])c3)c2c1	ZINC000013474318	562966742	/nfs/dbraw/zinc/96/67/42/562966742.db2.gz	PACCSSQPBHOMFO-UHFFFAOYSA-O	2	0	470.597	4.109	1	10		JICFRP
C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(C(N)=[NH2+])c2)cc1	ZINC000013474320	562966740	/nfs/dbraw/zinc/96/67/40/562966740.db2.gz	HUQHTHMQTZUEGK-UHFFFAOYSA-O	2	0	458.561	4.239	1	10		JICFRP
COc1ccc2c(cc(C(=O)NCc3ccc([N+](C)(C)C)cc3)n2Cc2cccc(C(N)=[NH2+])c2)c1	ZINC000013474325	562966751	/nfs/dbraw/zinc/96/67/51/562966751.db2.gz	RHJKQYKMUMRUMC-UHFFFAOYSA-O	2	0	470.597	4.109	1	10		JICFRP
C[NH+](C)CCCCCNc1ccc(NCCCCC[NH+](C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000031440432	563108060	/nfs/dbraw/zinc/10/80/60/563108060.db2.gz	UDNNULHPKJMSTG-UHFFFAOYSA-N	2	0	496.652	4.161	1	10		JICFRP
NC(=[NH2+])NCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000026841572	563036802	/nfs/dbraw/zinc/03/68/02/563036802.db2.gz	OGFZYHVWNMQNBT-UHFFFAOYSA-N	2	0	462.579	4.137	1	10		JICFRP
COc1cc2c(Nc3cc(C[NH+]4CCCC4)c(O)c(C[NH+]4CCCC4)c3)ncnc2c(OC)c1OC	ZINC000027892003	563052910	/nfs/dbraw/zinc/05/29/10/563052910.db2.gz	GZCWZDPIMYNNPT-UHFFFAOYSA-N	2	0	493.608	4.296	1	10		JICFRP
COc1cccc2c1cc(C(=O)NCc1ccc([N+](C)(C)C)cc1)n2Cc1cccc(C(N)=[NH2+])c1	ZINC000013474319	562966755	/nfs/dbraw/zinc/96/67/55/562966755.db2.gz	DDDMCGGVAQNMNT-UHFFFAOYSA-O	2	0	470.597	4.109	1	10		JICFRP
CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2cc(O)c(O)cc21	ZINC000015150961	563011361	/nfs/dbraw/zinc/01/13/61/563011361.db2.gz	HGQNZTBYUKKJLH-CQOCVSQPSA-N	2	0	452.595	4.337	1	10	in-vitro	JICFRP
[NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH2+]CCCCCNc1c2ccccc2[nH+]c2ccccc21	ZINC000027558390	563046623	/nfs/dbraw/zinc/04/66/23/563046623.db2.gz	ARJJFWCGMCQIBZ-UHFFFAOYSA-N	5	0	464.702	4.258	1	10		JICFRP
C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3n2Cc2cccc(C(N)=[NH2+])c2)cc1	ZINC000013474323	562966722	/nfs/dbraw/zinc/96/67/22/562966722.db2.gz	UNBRJUFLVAWRRR-UHFFFAOYSA-O	2	0	485.568	4.009	1	10		JICFRP