smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc(OC)c1O	ZINC000057811506	184055646	/nfs/dbraw/zinc/05/56/46/184055646.db2.gz	JORZCOJJOBZATR-AWEZNQCLSA-N	2	1	304.434	2.513	40	30		DFEBMP
C=CCc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc(OC)c1O	ZINC000057811506	184055647	/nfs/dbraw/zinc/05/56/47/184055647.db2.gz	JORZCOJJOBZATR-AWEZNQCLSA-N	2	1	304.434	2.513	40	30		DFEBMP
C=CCc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc(OC)c1O	ZINC000057811506	184055648	/nfs/dbraw/zinc/05/56/48/184055648.db2.gz	JORZCOJJOBZATR-AWEZNQCLSA-N	2	1	304.434	2.513	40	30		DFEBMP
C=CCc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc(OC)c1O	ZINC000057811506	184055649	/nfs/dbraw/zinc/05/56/49/184055649.db2.gz	JORZCOJJOBZATR-AWEZNQCLSA-N	2	1	304.434	2.513	40	30		DFEBMP
Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N	ZINC000192925638	427635794	/nfs/dbraw/zinc/63/57/94/427635794.db2.gz	PJWKPAOUCKDCFG-QGZVFWFLSA-N	2	1	308.429	2.508	40	30		DFEBMP
COc1ccc(/C=[NH+]/CC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1	ZINC000006576982	181355958	/nfs/dbraw/zinc/35/59/58/181355958.db2.gz	WOAIYBQMKKZABM-RQPJFFLJSA-N	2	1	304.434	2.595	40	30		DFEBMP
COc1ccc(/C=[NH+]/CC[C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1	ZINC000006576980	181356289	/nfs/dbraw/zinc/35/62/89/181356289.db2.gz	WOAIYBQMKKZABM-BCWAKYKLSA-N	2	1	304.434	2.595	40	30		DFEBMP
Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N	ZINC000192925628	427636379	/nfs/dbraw/zinc/63/63/79/427636379.db2.gz	PJWKPAOUCKDCFG-KRWDZBQOSA-N	2	1	308.429	2.508	40	30		DFEBMP
COc1ccc(/C=[NH+]/CC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1	ZINC000035898240	523438347	/nfs/dbraw/zinc/43/83/47/523438347.db2.gz	WOAIYBQMKKZABM-LAISTDEBSA-N	2	1	304.434	2.595	40	30		DFEBMP
C=CCc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc(OC)c1O	ZINC000057811509	184055401	/nfs/dbraw/zinc/05/54/01/184055401.db2.gz	JORZCOJJOBZATR-CQSZACIVSA-N	2	1	304.434	2.513	40	30		DFEBMP
C=CCc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc(OC)c1O	ZINC000057811509	184055403	/nfs/dbraw/zinc/05/54/03/184055403.db2.gz	JORZCOJJOBZATR-CQSZACIVSA-N	2	1	304.434	2.513	40	30		DFEBMP
C=CCc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc(OC)c1O	ZINC000057811509	184055405	/nfs/dbraw/zinc/05/54/05/184055405.db2.gz	JORZCOJJOBZATR-CQSZACIVSA-N	2	1	304.434	2.513	40	30		DFEBMP
C=CCc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc(OC)c1O	ZINC000057811509	184055406	/nfs/dbraw/zinc/05/54/06/184055406.db2.gz	JORZCOJJOBZATR-CQSZACIVSA-N	2	1	304.434	2.513	40	30		DFEBMP
COc1ccc(/C=[NH+]/CC[C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1	ZINC000035898239	523437144	/nfs/dbraw/zinc/43/71/44/523437144.db2.gz	WOAIYBQMKKZABM-HUMAGWNWSA-N	2	1	304.434	2.595	40	30		DFEBMP
CCc1c2c3ccccc3[nH]c2c2c([n+]1N)CC(C)(C)C/C2=[NH+]\N	ZINC000013511136	425755496	/nfs/dbraw/zinc/75/54/96/425755496.db2.gz	BRBHHQGVFUFQEC-YDZHTSKRSA-O	2	1	322.436	2.520	40	30		DFEBMP
CNC(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1)=[NH+]C	ZINC000195530764	399184494	/nfs/dbraw/zinc/18/44/94/399184494.db2.gz	ZJQXEZPWVXGFFM-DZGCQCFKSA-N	2	1	308.857	2.518	40	30		DFEBMP