smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC/C(=C(\CC)c1ccc(OCC[NH+](C)C)cc1)c1ccc(OCCN(C)C)cc1	ZINC000001620711	557276497	/nfs/dbraw/zinc/27/64/97/557276497.db2.gz	NVYHSNNUKVAVQF-QPLCGJKRSA-N	1	3	410.602	5.298	40	0		HKABHO
CC/C(=C(/CC)c1ccc(OCC[NH+](C)C)cc1)c1ccc(OCCN(C)C)cc1	ZINC000001620712	557276558	/nfs/dbraw/zinc/27/65/58/557276558.db2.gz	NVYHSNNUKVAVQF-OCEACIFDSA-N	1	3	410.602	5.298	40	0		HKABHO
CCCC[NH+](CCCC)CCCNc1c2cc(Cl)ccc2nc2c1CCCC2	ZINC000001677547	557280064	/nfs/dbraw/zinc/28/00/64/557280064.db2.gz	LWIAVKSBBXKFMZ-UHFFFAOYSA-N	1	3	402.026	6.471	40	0		HKABHO
CCCC[NH+](CCCC)CCCNc1c2ccc(Cl)cc2nc2c1CCCC2	ZINC000001873685	557293459	/nfs/dbraw/zinc/29/34/59/557293459.db2.gz	MMFJWHYLXCAAMO-UHFFFAOYSA-N	1	3	402.026	6.471	40	0		HKABHO
CCOc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000008253952	557778187	/nfs/dbraw/zinc/77/81/87/557778187.db2.gz	XKOLTMLKFOVXGC-UHFFFAOYSA-N	1	3	411.373	5.012	40	0		HKABHO
CCOc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCc1ccccc1Cl	ZINC000008254111	557778536	/nfs/dbraw/zinc/77/85/36/557778536.db2.gz	RRFQWKMXTXLJOZ-UHFFFAOYSA-N	1	3	411.373	5.012	40	0		HKABHO
CCOc1ccc([C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2NCc2ccccc2)cc1	ZINC000026440558	558661073	/nfs/dbraw/zinc/66/10/73/558661073.db2.gz	MENHDFSNXLOASS-SVBPBHIXSA-N	1	3	400.566	5.233	40	0		HKABHO
CCOc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2NCc2ccccc2)cc1	ZINC000026440558	558661077	/nfs/dbraw/zinc/66/10/77/558661077.db2.gz	MENHDFSNXLOASS-SVBPBHIXSA-N	1	3	400.566	5.233	40	0		HKABHO
CCOc1ccc([C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2NCc2ccccc2)cc1	ZINC000026440562	558661041	/nfs/dbraw/zinc/66/10/41/558661041.db2.gz	MENHDFSNXLOASS-SXOMAYOGSA-N	1	3	400.566	5.233	40	0		HKABHO
CCOc1ccc([C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2NCc2ccccc2)cc1	ZINC000026440562	558661043	/nfs/dbraw/zinc/66/10/43/558661043.db2.gz	MENHDFSNXLOASS-SXOMAYOGSA-N	1	3	400.566	5.233	40	0		HKABHO
COc1ccc(-c2ccc(C[N@@H+]3CCCC[C@H]3CCN3CCC(C)CC3)cc2)cc1	ZINC000057775521	569053694	/nfs/dbraw/zinc/05/36/94/569053694.db2.gz	GVKWYLOOINKHBB-SANMLTNESA-N	1	3	406.614	5.839	40	0		HKABHO
COc1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3CCN3CCC(C)CC3)cc2)cc1	ZINC000057775521	569053695	/nfs/dbraw/zinc/05/36/95/569053695.db2.gz	GVKWYLOOINKHBB-SANMLTNESA-N	1	3	406.614	5.839	40	0		HKABHO
COc1ccc(-c2ccc(C[N@@H+]3CCCC[C@@H]3CCN3CCC(C)CC3)cc2)cc1	ZINC000057775524	569053766	/nfs/dbraw/zinc/05/37/66/569053766.db2.gz	GVKWYLOOINKHBB-AREMUKBSSA-N	1	3	406.614	5.839	40	0		HKABHO
COc1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3CCN3CCC(C)CC3)cc2)cc1	ZINC000057775524	569053767	/nfs/dbraw/zinc/05/37/67/569053767.db2.gz	GVKWYLOOINKHBB-AREMUKBSSA-N	1	3	406.614	5.839	40	0		HKABHO
C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)c2ccccc2CN2CCCCC2)c1	ZINC000141578579	571132438	/nfs/dbraw/zinc/13/24/38/571132438.db2.gz	SUMDNAYSWJEGRH-OAQYLSRUSA-N	1	3	405.586	5.299	40	0		HKABHO
C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2CN2CCCCC2)c1	ZINC000141578579	571132440	/nfs/dbraw/zinc/13/24/40/571132440.db2.gz	SUMDNAYSWJEGRH-OAQYLSRUSA-N	1	3	405.586	5.299	40	0		HKABHO
C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)c2ccccc2CN2CCCCC2)c1	ZINC000141578773	571132456	/nfs/dbraw/zinc/13/24/56/571132456.db2.gz	SUMDNAYSWJEGRH-NRFANRHFSA-N	1	3	405.586	5.299	40	0		HKABHO
C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2CN2CCCCC2)c1	ZINC000141578773	571132460	/nfs/dbraw/zinc/13/24/60/571132460.db2.gz	SUMDNAYSWJEGRH-NRFANRHFSA-N	1	3	405.586	5.299	40	0		HKABHO
CCOc1ccc([C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2NCc2ccccc2)cc1	ZINC000245227432	569370257	/nfs/dbraw/zinc/37/02/57/569370257.db2.gz	MENHDFSNXLOASS-KAYWLYCHSA-N	1	3	400.566	5.233	40	0		HKABHO
CCOc1ccc([C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2NCc2ccccc2)cc1	ZINC000245227432	569370258	/nfs/dbraw/zinc/37/02/58/569370258.db2.gz	MENHDFSNXLOASS-KAYWLYCHSA-N	1	3	400.566	5.233	40	0		HKABHO
CCOc1ccc([C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2NCc2ccccc2)cc1	ZINC000245227433	569370252	/nfs/dbraw/zinc/37/02/52/569370252.db2.gz	MENHDFSNXLOASS-RRPNLBNLSA-N	1	3	400.566	5.233	40	0		HKABHO
CCOc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2NCc2ccccc2)cc1	ZINC000245227433	569370253	/nfs/dbraw/zinc/37/02/53/569370253.db2.gz	MENHDFSNXLOASS-RRPNLBNLSA-N	1	3	400.566	5.233	40	0		HKABHO