smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(Nc2cc(NCC[NH3+])nc(C)[nH+]2)cc1	ZINC000217677920	359018695	/nfs/dbraw/zinc/01/86/95/359018695.db2.gz	RMJLHSUIVSVTFN-UHFFFAOYSA-N	2	0	273.340	1.908	40	70		CDIBRP
C[N@@H+]1CCC[C@H](C(=O)NCCC[NH+]2CCCCCC2)C1	ZINC000216912498	358969706	/nfs/dbraw/zinc/96/97/06/358969706.db2.gz	REPIDEMYNXOEQE-HNNXBMFYSA-N	2	0	281.444	1.711	40	70		CDIBRP
C[NH+]1CCC(CC(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000216899214	358968766	/nfs/dbraw/zinc/96/87/66/358968766.db2.gz	IEDCSTSSIVLYHE-UHFFFAOYSA-N	2	0	281.444	1.711	40	70		CDIBRP
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2CCC[N@H+](C)C2)C1	ZINC000216912434	358969192	/nfs/dbraw/zinc/96/91/92/358969192.db2.gz	SFSMMQCVGZEYTF-HRCADAONSA-N	2	0	295.471	1.812	40	70		CDIBRP
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CC[NH+](C)CC2)C1	ZINC000216921833	358970196	/nfs/dbraw/zinc/97/01/96/358970196.db2.gz	ARAZXTAVCITRDL-GASCZTMLSA-N	2	0	295.471	1.812	40	70		CDIBRP
C[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+]2CCCCCC2)C1	ZINC000216912473	358969450	/nfs/dbraw/zinc/96/94/50/358969450.db2.gz	REPIDEMYNXOEQE-OAHLLOKOSA-N	2	0	281.444	1.711	40	70		CDIBRP
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CC[NH+](C)CC2)C1	ZINC000216921861	358970494	/nfs/dbraw/zinc/97/04/94/358970494.db2.gz	ARAZXTAVCITRDL-GJZGRUSLSA-N	2	0	295.471	1.812	40	70		CDIBRP
C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCCC2)CC1	ZINC000216921897	358970220	/nfs/dbraw/zinc/97/02/20/358970220.db2.gz	YCOUHZYGOCQVNL-UHFFFAOYSA-N	2	0	281.444	1.711	40	70		CDIBRP
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCC[NH+](C)C2)C1	ZINC000216912403	533800798	/nfs/dbraw/zinc/80/07/98/533800798.db2.gz	SFSMMQCVGZEYTF-OWCLPIDISA-N	2	0	295.471	1.812	40	70		CDIBRP
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCC[N@H+](C)C2)C1	ZINC000216912383	391016381	/nfs/dbraw/zinc/01/63/81/391016381.db2.gz	SFSMMQCVGZEYTF-BZUAXINKSA-N	2	0	295.471	1.812	40	70		CDIBRP
[NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ccc2ccccc2c1	ZINC000218509699	414394043	/nfs/dbraw/zinc/39/40/43/414394043.db2.gz	GOWRWGKBZOPGCT-CQSZACIVSA-N	2	0	257.337	1.845	40	70		CDIBRP
CC1CC[NH+](CCCNC(=O)CC2CC[NH+](C)CC2)CC1	ZINC000216900138	358968534	/nfs/dbraw/zinc/96/85/34/358968534.db2.gz	TZXOURQWWJNXDV-UHFFFAOYSA-N	2	0	295.471	1.957	40	70		CDIBRP
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CC[NH+](C)CC2)C1	ZINC000216921807	358970178	/nfs/dbraw/zinc/97/01/78/358970178.db2.gz	ARAZXTAVCITRDL-HUUCEWRRSA-N	2	0	295.471	1.812	40	70		CDIBRP
C[NH+]1CCC(CC(=O)NCCC[NH+]2CCCC2)CC1	ZINC000216900045	358968112	/nfs/dbraw/zinc/96/81/12/358968112.db2.gz	DVMLYVMLRIEDTB-UHFFFAOYSA-N	2	0	267.417	1.320	40	70		CDIBRP