smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CNC(=O)N1CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000160906516	416009861	/nfs/dbraw/zinc/00/98/61/416009861.db2.gz	KOFPKAHMRUQCRD-GFCCVEGCSA-N	2	2	303.366	0.367	10	70		DCIELP
O=C1CNC(=O)N1CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000160906516	416009865	/nfs/dbraw/zinc/00/98/65/416009865.db2.gz	KOFPKAHMRUQCRD-GFCCVEGCSA-N	2	2	303.366	0.367	10	70		DCIELP
O=C(Cc1cn2ccccc2[nH+]1)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160396009	527321212	/nfs/dbraw/zinc/32/12/12/527321212.db2.gz	ZTCFBOVCMVAJPH-HNNXBMFYSA-N	2	2	316.405	0.840	10	70		DCIELP
O=C1CNC(=O)N1CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000160906389	416008649	/nfs/dbraw/zinc/00/86/49/416008649.db2.gz	KOFPKAHMRUQCRD-LBPRGKRZSA-N	2	2	303.366	0.367	10	70		DCIELP
O=C1CNC(=O)N1CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000160906389	416008652	/nfs/dbraw/zinc/00/86/52/416008652.db2.gz	KOFPKAHMRUQCRD-LBPRGKRZSA-N	2	2	303.366	0.367	10	70		DCIELP
O=C1CCC(=O)N1CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000160906131	416009121	/nfs/dbraw/zinc/00/91/21/416009121.db2.gz	HWHCXKWHSWOFJK-ZDUSSCGKSA-N	2	2	302.378	0.964	10	70		DCIELP
O=C1CCC(=O)N1CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000160906131	416009123	/nfs/dbraw/zinc/00/91/23/416009123.db2.gz	HWHCXKWHSWOFJK-ZDUSSCGKSA-N	2	2	302.378	0.964	10	70		DCIELP
COC(C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)OC	ZINC000160952251	416011127	/nfs/dbraw/zinc/01/11/27/416011127.db2.gz	ZEDVUKCEGPRJCE-OAHLLOKOSA-N	2	2	315.458	0.332	10	70		DCIELP
COC(C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)OC	ZINC000160952251	416011128	/nfs/dbraw/zinc/01/11/28/416011128.db2.gz	ZEDVUKCEGPRJCE-OAHLLOKOSA-N	2	2	315.458	0.332	10	70		DCIELP
COC(C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)OC	ZINC000160952379	416011114	/nfs/dbraw/zinc/01/11/14/416011114.db2.gz	ZEDVUKCEGPRJCE-HNNXBMFYSA-N	2	2	315.458	0.332	10	70		DCIELP
COC(C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)OC	ZINC000160952379	416011116	/nfs/dbraw/zinc/01/11/16/416011116.db2.gz	ZEDVUKCEGPRJCE-HNNXBMFYSA-N	2	2	315.458	0.332	10	70		DCIELP
O=C1CCC(=O)N1CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000160906253	416009543	/nfs/dbraw/zinc/00/95/43/416009543.db2.gz	HWHCXKWHSWOFJK-CYBMUJFWSA-N	2	2	302.378	0.964	10	70		DCIELP
O=C1CCC(=O)N1CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000160906253	416009546	/nfs/dbraw/zinc/00/95/46/416009546.db2.gz	HWHCXKWHSWOFJK-CYBMUJFWSA-N	2	2	302.378	0.964	10	70		DCIELP