smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc(OC)c(C)c1OC)CC2	ZINC000072150422	518996804	/nfs/dbraw/zinc/99/68/04/518996804.db2.gz	YRKDFQHTSDNSOX-SFHVURJKSA-N	0	1	432.517	2.486	10	30		IEEEMN
CCOC(=O)O[C@H](C)OC(=O)[C@@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C	ZINC000031297670	563083221	/nfs/dbraw/zinc/08/32/21/563083221.db2.gz	XHKFBADIZIDYBU-YYFDCEKQSA-N	0	1	441.550	2.384	10	30	in-man	IEEEMN
Cn1c2nc(NN=Cc3ccc([N+](=O)[O-])cc3)n(CCc3ccccc3)c2c(=O)n(C)c1=O	ZINC000098008513	557232322	/nfs/dbraw/zinc/23/23/22/557232322.db2.gz	PSFYVTGDPMBSLG-UCQKPKSFSA-N	0	1	447.455	2.031	10	30		IEEEMN
CC(C)(C)C(=O)OCOC(=O)[C@H]1N2C(=O)[C@H](/N=C/N3CCCCCC3)[C@@H]2SC1(C)C	ZINC000011616335	569210142	/nfs/dbraw/zinc/21/01/42/569210142.db2.gz	NPGNOVNWUSPMDP-YUAJRPMDSA-N	0	1	439.578	2.412	10	30		IEEEMN
C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1ccc(OC)c(C)c1OC)CC2	ZINC000072150423	518997814	/nfs/dbraw/zinc/99/78/14/518997814.db2.gz	YRKDFQHTSDNSOX-GOSISDBHSA-N	0	1	432.517	2.486	10	30		IEEEMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NN=Cc1c(F)cccc1F	ZINC000012564468	527339947	/nfs/dbraw/zinc/33/99/47/527339947.db2.gz	FLFSOLAPGIWENR-RGVLZGJSSA-N	0	1	426.401	2.340	10	30		IEEEMN
CCOC(=O)O[C@@H](C)OC(=O)[C@@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C	ZINC000004212049	562942711	/nfs/dbraw/zinc/94/27/11/562942711.db2.gz	XHKFBADIZIDYBU-GEHZSGLKSA-N	0	1	441.550	2.384	10	30	in-man	IEEEMN