smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](O)[C@H](CCN[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000217339519	488442322	/nfs/dbraw/zinc/44/23/22/488442322.db2.gz	SYUWUHQRKQWNLI-LNSITVRQSA-N	0	3	370.427	0.941	40	5		FCBBHN
C[C@@H](O)[C@H](CCN[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000217339430	488442338	/nfs/dbraw/zinc/44/23/38/488442338.db2.gz	SYUWUHQRKQWNLI-KYOSRNDESA-N	0	3	370.427	0.941	40	5		FCBBHN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCN(C)C)S(C)(=O)=O	ZINC000010111620	487532082	/nfs/dbraw/zinc/53/20/82/487532082.db2.gz	WXVUJHWPEZOUDN-UHFFFAOYSA-N	0	3	374.419	0.047	40	5		FCBBHN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCN(C)C)S(C)(=O)=O	ZINC000010111664	263362734	/nfs/dbraw/zinc/36/27/34/263362734.db2.gz	HHLZAGWOEDWLPY-UHFFFAOYSA-N	0	3	358.420	0.347	40	5		FCBBHN
CS(=O)(=O)N1CCN(c2cc(N3CCNCC3)ccc2[N+](=O)[O-])CC1	ZINC000010012435	487530375	/nfs/dbraw/zinc/53/03/75/487530375.db2.gz	KAVWUDHKJZPHRR-UHFFFAOYSA-N	0	3	369.447	0.086	40	5		FCBBHN
C[C@@H](O)[C@@H](CCN[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000217339267	488442267	/nfs/dbraw/zinc/44/22/67/488442267.db2.gz	SYUWUHQRKQWNLI-UXIGCNINSA-N	0	3	370.427	0.941	40	5		FCBBHN
CN1CCC(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	ZINC000216937349	488441745	/nfs/dbraw/zinc/44/17/45/488441745.db2.gz	GEVOTJVDNWEWQA-UHFFFAOYSA-N	0	3	370.431	0.571	40	5		FCBBHN
C[C@H](O)[C@H](CCN[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000242677114	488459894	/nfs/dbraw/zinc/45/98/94/488459894.db2.gz	SYUWUHQRKQWNLI-WHOFXGATSA-N	0	3	370.427	0.941	40	5		FCBBHN
C[C@H](O)[C@@H](CCN[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000217339345	488442177	/nfs/dbraw/zinc/44/21/77/488442177.db2.gz	SYUWUHQRKQWNLI-NJZAAPMLSA-N	0	3	370.427	0.941	40	5		FCBBHN
C[C@H](O)[C@@H](CCN[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000242677112	488459794	/nfs/dbraw/zinc/45/97/94/488459794.db2.gz	SYUWUHQRKQWNLI-CORIIIEPSA-N	0	3	370.427	0.941	40	5		FCBBHN
CN(C)CCn1ccc2nc3ccn(-c4cc[nH]n4)c(=O)c3cc2c1=O	ZINC000040399056	487815321	/nfs/dbraw/zinc/81/53/21/487815321.db2.gz	GNPLVUBRAMQIDY-UHFFFAOYSA-N	0	3	350.382	0.985	40	5		FCBBHN