smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(=O)c(-c2nn[nH]n2)c(NCCn2cc([N+](=O)[O-])cn2)n(C)c1=O	ZINC000822599276	607175856	/nfs/dbraw/zinc/17/58/56/607175856.db2.gz	CDUULTRGIYDHJP-UHFFFAOYSA-N	0	2	362.310	-1.519	20	5		FABDLN
Cn1cc(-c2nn[nH]n2)c(=O)n(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1=O	ZINC000822604843	599304768	/nfs/dbraw/zinc/30/47/68/599304768.db2.gz	MUPWQZFTCDIILG-MRVPVSSYSA-N	0	2	363.294	-2.107	20	5		FABDLN
Cn1cc(-c2nn[nH]n2)c(=O)n(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1=O	ZINC000822604844	599305272	/nfs/dbraw/zinc/30/52/72/599305272.db2.gz	MUPWQZFTCDIILG-QMMMGPOBSA-N	0	2	363.294	-2.107	20	5		FABDLN
O=C(Cc1ncn[nH]1)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2	ZINC000965375246	659099594	/nfs/dbraw/zinc/09/95/94/659099594.db2.gz	KCKWDZUUHLBWON-NXEZZACHSA-N	0	2	350.335	-1.548	20	5		FABDLN
Cc1nn[nH]c1C(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2	ZINC000965375792	659099447	/nfs/dbraw/zinc/09/94/47/659099447.db2.gz	MXFRYAOJZTUHRV-NXEZZACHSA-N	0	2	350.335	-1.168	20	5		FABDLN
Cc1nn[nH]c1C(=O)N1CCOC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC000965432903	659099876	/nfs/dbraw/zinc/09/98/76/659099876.db2.gz	KDQYERVAQBTGPO-NXEZZACHSA-N	0	2	350.335	-1.168	20	5		FABDLN
O=C(Cc1ncn[nH]1)N1CCOC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC000965498283	659101862	/nfs/dbraw/zinc/10/18/62/659101862.db2.gz	JMPQPXIQWXTRQH-NXEZZACHSA-N	0	2	350.335	-1.548	20	5		FABDLN
O=C(Cc1ncn[nH]1)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001074738354	680102940	/nfs/dbraw/zinc/10/29/40/680102940.db2.gz	SPNIBWLIVSDUDX-NXEZZACHSA-N	0	2	352.351	-1.518	20	5		FABDLN
O=C(Cc1ncn[nH]1)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001080856875	679994480	/nfs/dbraw/zinc/99/44/80/679994480.db2.gz	YBYPBECJCVVTRP-NXEZZACHSA-N	0	2	352.351	-1.518	20	5		FABDLN
O=C(Cc1nnc[nH]1)NCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001283836551	794242945	/nfs/dbraw/zinc/24/29/45/794242945.db2.gz	OQPXVESBWVYRAJ-GHMZBOCLSA-N	0	2	351.367	-1.727	20	5		FABDLN