smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@]2(CC=CCC2)C1	ZINC000353902025	1025284400	/nfs/dbraw/zinc/28/44/00/1025284400.db2.gz	SXFDTQVLRJSYTM-QGZVFWFLSA-N	-1	2	302.374	3.623	20	5		DHBDLM
C[C@]1(c2ccccc2)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-]	ZINC001197343499	1036744382	/nfs/dbraw/zinc/74/43/82/1036744382.db2.gz	SYGAAGZPZROAKG-GOSISDBHSA-N	-1	2	312.369	3.812	20	5		DHBDLM
Cc1ccc([C@@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1	ZINC000549932459	341307226	/nfs/dbraw/zinc/30/72/26/341307226.db2.gz	SJYYBCZVKIGBJL-OAHLLOKOSA-N	-1	2	312.369	3.598	20	5		DHBDLM
O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1	ZINC000353902020	1025286131	/nfs/dbraw/zinc/28/61/31/1025286131.db2.gz	SXFDTQVLRJSYTM-KRWDZBQOSA-N	-1	2	302.374	3.623	20	5		DHBDLM
C[C@@]1(c2ccccc2)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-]	ZINC001197343503	1036743872	/nfs/dbraw/zinc/74/38/72/1036743872.db2.gz	SYGAAGZPZROAKG-SFHVURJKSA-N	-1	2	312.369	3.812	20	5		DHBDLM
C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-]	ZINC001170769204	1028260764	/nfs/dbraw/zinc/26/07/64/1028260764.db2.gz	NQOMFOJPUNTFGP-OCCSQVGLSA-N	-1	2	306.406	3.947	20	5		DHBDLM
Cc1ccc([C@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1	ZINC000549932458	341307206	/nfs/dbraw/zinc/30/72/06/341307206.db2.gz	SJYYBCZVKIGBJL-HNNXBMFYSA-N	-1	2	312.369	3.598	20	5		DHBDLM
C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-]	ZINC001170769205	1028259421	/nfs/dbraw/zinc/25/94/21/1028259421.db2.gz	NQOMFOJPUNTFGP-TZMCWYRMSA-N	-1	2	306.406	3.947	20	5		DHBDLM