smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccn2c1nc1c(cc(C(N)=O)c(=N)n1CC[NH+]1CCOCC1)c2=O	ZINC000000788675	209265693	/nfs/dbraw/zinc/26/56/93/209265693.db2.gz	SQADILXUYFYXCF-UHFFFAOYSA-N	1	2	382.424	-0.132	50	5		GBBALO
CNC(=O)c1cc2c(nc3ccccn3c2=O)n(CC[NH+]2CCOCC2)c1=N	ZINC000000788677	570330662	/nfs/dbraw/zinc/33/06/62/570330662.db2.gz	XCVDXAGDDSZUHS-UHFFFAOYSA-N	1	2	382.424	-0.180	50	5		GBBALO
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC[NH+](CCO)CCO)c2cc1Cl	ZINC000001722914	570270782	/nfs/dbraw/zinc/27/07/82/570270782.db2.gz	RJURBGYVDMBORN-UHFFFAOYSA-N	1	2	393.831	-0.167	50	5		GBBALO
Cc1ccc2nc3c(cc(C(N)=O)c(=N)n3CC[NH+]3CCOCC3)c(=O)n2c1	ZINC000004552976	570880184	/nfs/dbraw/zinc/88/01/84/570880184.db2.gz	KCJGNXYJKCQCMG-UHFFFAOYSA-N	1	2	382.424	-0.132	50	5		GBBALO
CN1CCN(c2nc(NCCC[NH+]3CCOCC3)nc(N)c2[N+](=O)[O-])CC1	ZINC000020267099	207186062	/nfs/dbraw/zinc/18/60/62/207186062.db2.gz	WUZJRYWYAKLCGR-UHFFFAOYSA-N	1	2	380.453	-0.147	50	5		GBBALO
O=c1c2cc3c(ccn(-n4cnnc4)c3=O)nc2ccn1CC[NH+]1CCOCC1	ZINC000038829276	570584164	/nfs/dbraw/zinc/58/41/64/570584164.db2.gz	IJXJPUIZCFSIEI-UHFFFAOYSA-N	1	2	393.407	-0.054	50	5		GBBALO
Cc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CC[NH+](CCO)CCO	ZINC000043214973	212043167	/nfs/dbraw/zinc/04/31/67/212043167.db2.gz	WWJJEMUYRDDKCN-UHFFFAOYSA-N	1	2	393.831	-0.167	50	5		GBBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(NCCn3ncnn3)c([N+](=O)[O-])c2)CC1	ZINC000079109263	222304028	/nfs/dbraw/zinc/30/40/28/222304028.db2.gz	ZBRCXNKYCFDEKP-UHFFFAOYSA-N	1	2	396.433	-0.371	50	5		GBBALO