smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CN1CCn2nc([C@H](O)CO)cc2C1)N1CCOCC1	ZINC000217683935	201522772	/nfs/dbraw/zinc/52/27/72/201522772.db2.gz	WMLGDCGJQKJFIQ-CYBMUJFWSA-N	0	0	310.354	-1.417	50	70		DAIARN
Cn1c(=O)[nH]cc(CCN2CCn3nc(CO)cc3C2)c1=O	ZINC000217584719	373071403	/nfs/dbraw/zinc/07/14/03/373071403.db2.gz	VAPHQQFRVGEEQC-UHFFFAOYSA-N	0	0	305.338	-1.179	50	70		DAIARN
O=C(CN1CCn2nc([C@@H](O)CO)cc2C1)N1CCOCC1	ZINC000217683846	201521907	/nfs/dbraw/zinc/52/19/07/201521907.db2.gz	WMLGDCGJQKJFIQ-ZDUSSCGKSA-N	0	0	310.354	-1.417	50	70		DAIARN
COC[C@H]1[C@@H](NC(=O)Cc2c[nH]c(=O)[nH]c2=O)[C@@H]2CCO[C@H]12	ZINC000218702879	373075366	/nfs/dbraw/zinc/07/53/66/373075366.db2.gz	FYTTYWFOBPBXRR-QSFUFRPTSA-N	0	0	309.322	-1.228	50	70		DAIARN
COC[C@@H]1[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H]2CCO[C@H]12	ZINC000218758482	373073610	/nfs/dbraw/zinc/07/36/10/373073610.db2.gz	MIMYPRRQOLUYBI-ZFWZSOMGSA-N	0	0	309.322	-1.297	50	70		DAIARN
NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1cc(CO)ccn1	ZINC000218134420	373072753	/nfs/dbraw/zinc/07/27/53/373072753.db2.gz	NVSWLNQMMHWOGI-NEPJUHHUSA-N	0	0	309.322	-1.037	50	70		DAIARN
CSCC[C@H](NC(C)=O)C(=O)NCc1c[nH]c(=O)[nH]c1=O	ZINC000217113313	373690055	/nfs/dbraw/zinc/69/00/55/373690055.db2.gz	SCMVBHFWFUFKRU-VIFPVBQESA-N	0	0	314.367	-1.063	50	70		DAIARN
NC(=O)c1ccc(N2CCN(Cc3cn[nH]n3)C[C@@H](O)C2)nc1	ZINC000217089321	373069911	/nfs/dbraw/zinc/06/99/11/373069911.db2.gz	DJTVZUIRYSJJRU-GFCCVEGCSA-N	0	0	317.353	-1.018	50	70		DAIARN
C[C@H](O)c1cc2n(n1)CCN(C(=O)CNS(C)(=O)=O)C2	ZINC000217625837	373071230	/nfs/dbraw/zinc/07/12/30/373071230.db2.gz	UMCFWMNWXHEBML-QMMMGPOBSA-N	0	0	302.356	-1.172	50	70		DAIARN
C[C@@H](O)c1cc2n(n1)CCN(C(=O)CNS(C)(=O)=O)C2	ZINC000217625763	373071482	/nfs/dbraw/zinc/07/14/82/373071482.db2.gz	UMCFWMNWXHEBML-MRVPVSSYSA-N	0	0	302.356	-1.172	50	70		DAIARN
Nc1ccnc(N2CCN(CC(=O)NC3CC3)C[C@@H](O)C2)n1	ZINC000217552551	373072215	/nfs/dbraw/zinc/07/22/15/373072215.db2.gz	OERMRXRXYYFDHA-LLVKDONJSA-N	0	0	306.370	-1.180	50	70		DAIARN