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(NCCc1nccc(-c2ccccc2)n1)c1ccc[nH]c1=O	ZINC000217152223	201512293	/nfs/dbraw/zinc/51/22/93/201512293.db2.gz	VEZQACXIEACZKK-UHFFFAOYSA-N	0	2	320.352	2.217	50	70		DEIALN
Cc1nnc(CNC(=O)c2c[nH]c3cc(Cl)ccc3c2=O)o1	ZINC000217942318	402294397	/nfs/dbraw/zinc/29/43/97/402294397.db2.gz	QCXNKGGDMWFHFT-UHFFFAOYSA-N	0	2	318.720	2.215	50	70		DEIALN
CC(C)c1nnc([C@@H](C)NC(=O)CCN2CCCCCC2=O)o1	ZINC000217171145	201510705	/nfs/dbraw/zinc/51/07/05/201510705.db2.gz	PTFIZZJJQWOEDU-GFCCVEGCSA-N	0	2	322.409	2.163	50	70		DEIALN
Cc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)sc1-c1ccccc1	ZINC000216908775	201500805	/nfs/dbraw/zinc/50/08/05/201500805.db2.gz	ULSIFVRRKUTAGU-UHFFFAOYSA-N	0	2	314.370	2.065	50	70		DEIALN
CC(C)c1n[nH]c(NC(=O)c2n[nH]c3c2COc2ccccc2-3)n1	ZINC000218217774	402294961	/nfs/dbraw/zinc/29/49/61/402294961.db2.gz	WOWZUTWMAGPWTJ-UHFFFAOYSA-N	0	2	324.344	2.463	50	70		DEIALN
CC(=O)c1ccc(C(=O)N2CCC(n3cnnc3)CC2)s1	ZINC000217201913	201510808	/nfs/dbraw/zinc/51/08/08/201510808.db2.gz	CPGHNBAMINDZRK-UHFFFAOYSA-N	0	2	304.375	2.020	50	70		DEIALN
Cc1scc(C(=O)NCc2n[nH]c(=O)[nH]2)c1-c1ccccc1	ZINC000217014105	402290587	/nfs/dbraw/zinc/29/05/87/402290587.db2.gz	XKBKUZNMBOCOKF-UHFFFAOYSA-N	0	2	314.370	2.065	50	70		DEIALN
O=C(c1cnc2ccccc2c1)N1CCC(n2cnnc2)CC1	ZINC000217167411	201511788	/nfs/dbraw/zinc/51/17/88/201511788.db2.gz	WQNFOERADRCUBF-UHFFFAOYSA-N	0	2	307.357	2.304	50	70		DEIALN
O=C(c1nnc2n1CCCCC2)N1CCC[C@@H]1c1nccs1	ZINC000217192275	201511869	/nfs/dbraw/zinc/51/18/69/201511869.db2.gz	JPGZSZLQRKTFDD-LLVKDONJSA-N	0	2	317.418	2.438	50	70		DEIALN
CN(C)c1ccc(CC(=O)N2CCC(c3cc[nH]n3)CC2)cc1	ZINC000217190799	201511387	/nfs/dbraw/zinc/51/13/87/201511387.db2.gz	PJSFJZNXXAEMLT-UHFFFAOYSA-N	0	2	312.417	2.424	50	70		DEIALN
Cc1[nH]c2ccccc2c1CCNC(=O)c1cnc(N)nc1C	ZINC000217140497	201510897	/nfs/dbraw/zinc/51/08/97/201510897.db2.gz	XSLZRGNPNPPWGA-UHFFFAOYSA-N	0	2	309.373	2.129	50	70		DEIALN