smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCN(CCc2ccccc2)C3)c1	ZINC000011818818	204355326	/nfs/dbraw/zinc/35/53/26/204355326.db2.gz	OEAGANQWIXJXEC-DEOSSOPVSA-N	1	3	380.532	3.931	50	10		GHCAHO
COc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CCCN(CCc2ccccc2)C3)c1	ZINC000011818818	204355330	/nfs/dbraw/zinc/35/53/30/204355330.db2.gz	OEAGANQWIXJXEC-DEOSSOPVSA-N	1	3	380.532	3.931	50	10		GHCAHO
COc1ccc(O)c(C[N@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)c1	ZINC000012431561	570659692	/nfs/dbraw/zinc/65/96/92/570659692.db2.gz	NCHCWGQDFPHLEN-UHFFFAOYSA-N	1	3	386.511	3.926	50	10		GHCAHO
COc1ccc(O)c(C[N@@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)c1	ZINC000012431561	570659693	/nfs/dbraw/zinc/65/96/93/570659693.db2.gz	NCHCWGQDFPHLEN-UHFFFAOYSA-N	1	3	386.511	3.926	50	10		GHCAHO
COc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCCN(CCc2ccccc2)C3)c1	ZINC000011818817	204354906	/nfs/dbraw/zinc/35/49/06/204354906.db2.gz	OEAGANQWIXJXEC-XMMPIXPASA-N	1	3	380.532	3.931	50	10		GHCAHO
COc1ccc(O)c(C[N@H+]2CC[C@]3(C2)CCCN(CCc2ccccc2)C3)c1	ZINC000011818817	204354908	/nfs/dbraw/zinc/35/49/08/204354908.db2.gz	OEAGANQWIXJXEC-XMMPIXPASA-N	1	3	380.532	3.931	50	10		GHCAHO
Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)cc1	ZINC000095459051	136179321	/nfs/dbraw/zinc/17/93/21/136179321.db2.gz	WWDJBKVZVTWRLB-IBGZPJMESA-N	1	3	389.547	3.783	50	10		GHCAHO
Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)cc1	ZINC000095459050	136179227	/nfs/dbraw/zinc/17/92/27/136179227.db2.gz	WWDJBKVZVTWRLB-LJQANCHMSA-N	1	3	389.547	3.783	50	10		GHCAHO
COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cc(OC)ccc3[O-])CC2)cc1	ZINC000015065343	210145711	/nfs/dbraw/zinc/14/57/11/210145711.db2.gz	YBXJYARVDNISID-UHFFFAOYSA-N	1	3	398.547	3.796	50	10		GHCAHO
COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cc(OC)ccc3[O-])CC2)cc1	ZINC000015065343	210145717	/nfs/dbraw/zinc/14/57/17/210145717.db2.gz	YBXJYARVDNISID-UHFFFAOYSA-N	1	3	398.547	3.796	50	10		GHCAHO
COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3c([O-])cccc3OC)CC2)cc1	ZINC000012075058	221147945	/nfs/dbraw/zinc/14/79/45/221147945.db2.gz	FRPZEFISGYGTCV-UHFFFAOYSA-N	1	3	398.547	3.796	50	10		GHCAHO
COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3c([O-])cccc3OC)CC2)cc1	ZINC000012075058	221147949	/nfs/dbraw/zinc/14/79/49/221147949.db2.gz	FRPZEFISGYGTCV-UHFFFAOYSA-N	1	3	398.547	3.796	50	10		GHCAHO
COc1ccc(CC[N@@H+](Cc2cccc(OC)c2[O-])CC2CC[NH+](C)CC2)cc1	ZINC000014977175	221324038	/nfs/dbraw/zinc/32/40/38/221324038.db2.gz	FQCUSVDMJNFKEP-UHFFFAOYSA-N	1	3	398.547	3.796	50	10		GHCAHO
COc1ccc(CC[N@H+](Cc2cccc(OC)c2[O-])CC2CC[NH+](C)CC2)cc1	ZINC000014977175	221324040	/nfs/dbraw/zinc/32/40/40/221324040.db2.gz	FQCUSVDMJNFKEP-UHFFFAOYSA-N	1	3	398.547	3.796	50	10		GHCAHO