smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCOCC2)CC1	ZINC001295367419	1063332474	/nfs/dbraw/zinc/33/24/74/1063332474.db2.gz	SYYVLGGFTZJSMT-IBGZPJMESA-N	1	3	471.606	2.885	20	5		JFBDHO
CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(CC)[C@@H](C)C2)CC1	ZINC001296183500	1064328205	/nfs/dbraw/zinc/32/82/05/1064328205.db2.gz	DOKMRKISJSDYLX-RTWAWAEBSA-N	1	3	484.649	2.657	20	5		JFBDHO
CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2CCOC2)CC1)[NH+](C)C	ZINC001287322197	1062799836	/nfs/dbraw/zinc/79/98/36/1062799836.db2.gz	NXXQPTSPNWGSHM-OFNKIYASSA-N	1	3	485.633	2.988	20	5		JFBDHO
CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2CCOC2)CC1)[NH+](C)C	ZINC001287322192	1062800000	/nfs/dbraw/zinc/80/00/00/1062800000.db2.gz	NXXQPTSPNWGSHM-NFBKMPQASA-N	1	3	485.633	2.988	20	5		JFBDHO
CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(CC)[C@H](C)C2)CC1	ZINC001296183498	1064328136	/nfs/dbraw/zinc/32/81/36/1064328136.db2.gz	DOKMRKISJSDYLX-LEWJYISDSA-N	1	3	484.649	2.657	20	5		JFBDHO
CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(CC)[C@H](C)C2)CC1	ZINC001296183499	1064328297	/nfs/dbraw/zinc/32/82/97/1064328297.db2.gz	DOKMRKISJSDYLX-NHCUHLMSSA-N	1	3	484.649	2.657	20	5		JFBDHO
CC(C)(C)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1	ZINC001287042735	1062013533	/nfs/dbraw/zinc/01/35/33/1062013533.db2.gz	FJZWYNWRHZTSFK-OAQYLSRUSA-N	1	3	471.606	2.621	20	5		JFBDHO
CC(C)(C)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@H+]2CCCO)CC1	ZINC001287042735	1062013558	/nfs/dbraw/zinc/01/35/58/1062013558.db2.gz	FJZWYNWRHZTSFK-OAQYLSRUSA-N	1	3	471.606	2.621	20	5		JFBDHO
CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(CC)[C@@H](C)C2)CC1	ZINC001296183501	1064328539	/nfs/dbraw/zinc/32/85/39/1064328539.db2.gz	DOKMRKISJSDYLX-SFTDATJTSA-N	1	3	484.649	2.657	20	5		JFBDHO
CC(C)(C)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1	ZINC001287042734	1062013632	/nfs/dbraw/zinc/01/36/32/1062013632.db2.gz	FJZWYNWRHZTSFK-NRFANRHFSA-N	1	3	471.606	2.621	20	5		JFBDHO
CC(C)(C)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1	ZINC001287042734	1062013654	/nfs/dbraw/zinc/01/36/54/1062013654.db2.gz	FJZWYNWRHZTSFK-NRFANRHFSA-N	1	3	471.606	2.621	20	5		JFBDHO
CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCOCC2)CC1	ZINC001295367420	1063332430	/nfs/dbraw/zinc/33/24/30/1063332430.db2.gz	SYYVLGGFTZJSMT-LJQANCHMSA-N	1	3	471.606	2.885	20	5		JFBDHO
CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)[NH+](C)C	ZINC001287322194	1062799788	/nfs/dbraw/zinc/79/97/88/1062799788.db2.gz	NXXQPTSPNWGSHM-NZQKXSOJSA-N	1	3	485.633	2.988	20	5		JFBDHO
CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)[NH+](C)C	ZINC001287322199	1062800377	/nfs/dbraw/zinc/80/03/77/1062800377.db2.gz	NXXQPTSPNWGSHM-REWPJTCUSA-N	1	3	485.633	2.988	20	5		JFBDHO