smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1[O-]	ZINC000040422969	174258363	/nfs/dbraw/zinc/25/83/63/174258363.db2.gz	HJQGJCPFDSTGMV-ZDUSSCGKSA-N	0	3	274.276	2.249	1	10		CECFHN
Nc1ccc(CCc2ccc(NC3=NCCN3)cc2)cc1	ZINC000049037551	527480737	/nfs/dbraw/zinc/48/07/37/527480737.db2.gz	DKAZZLZQLOZSIT-UHFFFAOYSA-N	0	3	280.375	2.425	1	10		CECFHN
CN(C)Cc1ccc2c(c1)NC(=O)[C@H]1CCCCN21	ZINC000042966081	581099446	/nfs/dbraw/zinc/09/94/46/581099446.db2.gz	BZEFDGXWAUOOOF-CQSZACIVSA-N	0	3	259.353	2.059	1	10		CECFHN
[NH3+][C@H](Cc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1[O-]	ZINC000040422970	174258521	/nfs/dbraw/zinc/25/85/21/174258521.db2.gz	HJQGJCPFDSTGMV-CYBMUJFWSA-N	0	3	274.276	2.249	1	10		CECFHN
CN(C)Cc1ccc2c(c1)NC(=O)[C@@H]1CCCCN21	ZINC000042966083	581099438	/nfs/dbraw/zinc/09/94/38/581099438.db2.gz	BZEFDGXWAUOOOF-AWEZNQCLSA-N	0	3	259.353	2.059	1	10		CECFHN
Nc1ccc(Oc2ccc(NC3=NCCN3)cc2)cc1	ZINC000049037269	527496774	/nfs/dbraw/zinc/49/67/74/527496774.db2.gz	QQGUJLMHSMSEKC-UHFFFAOYSA-N	0	3	268.320	2.432	1	10		CECFHN
O=C1Nc2cc(CN3CCCC3)ccc2N2CCC[C@H]12	ZINC000043020477	174945174	/nfs/dbraw/zinc/94/51/74/174945174.db2.gz	BWHGMPCLAXAFFD-OAHLLOKOSA-N	0	3	271.364	2.203	1	10		CECFHN
CO[C@@H]1C=CC2=CCN3CCc4cc(O)c(O)cc4[C@]23C1	ZINC000015203705	571735251	/nfs/dbraw/zinc/73/52/51/571735251.db2.gz	GNBQGLMYBIWCOO-DYVFJYSZSA-N	0	3	285.343	2.066	1	10	endogenous,in-man	CECFHN
CCCCN1CCN2CCc3cc(O)c(O)cc3[C@@H]2C1	ZINC000045365864	175362707	/nfs/dbraw/zinc/36/27/07/175362707.db2.gz	HOVXXVQWWRCKLN-AWEZNQCLSA-N	0	3	276.380	2.113	1	10		CECFHN
Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1	ZINC000049231543	527483768	/nfs/dbraw/zinc/48/37/68/527483768.db2.gz	UJQZPYKWLHVWAY-UHFFFAOYSA-N	0	3	266.348	2.231	1	10		CECFHN
CO[C@@H]1C=CC2=CCN3CCc4cc(O)c(O)cc4[C@@]23C1	ZINC000015203708	571735098	/nfs/dbraw/zinc/73/50/98/571735098.db2.gz	GNBQGLMYBIWCOO-CXAGYDPISA-N	0	3	285.343	2.066	1	10	endogenous,in-man	CECFHN
O=C1Nc2cc(CN3CCCC3)ccc2N2CCC[C@@H]12	ZINC000043020479	581100771	/nfs/dbraw/zinc/10/07/71/581100771.db2.gz	BWHGMPCLAXAFFD-HNNXBMFYSA-N	0	3	271.364	2.203	1	10		CECFHN
Cc1cnc2c(c1)[C@@H]1c3cc(O)c(O)cc3CC[C@H]1NC2	ZINC000028764181	171573052	/nfs/dbraw/zinc/57/30/52/171573052.db2.gz	OTRPXYDXEWMYIL-DYVFJYSZSA-N	0	3	282.343	2.351	1	10		CECFHN