smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)CC1	ZINC000436919079	1070016283	/nfs/dbraw/zinc/01/62/83/1070016283.db2.gz	ARGXGXWKABTVIU-UHFFFAOYSA-N	0	2	413.456	-0.450	20	5		HBBDLN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(S(=O)(=O)N2CCOCC2)CC1	ZINC000436945145	1070018373	/nfs/dbraw/zinc/01/83/73/1070018373.db2.gz	FLZAGZBQCACKIQ-UHFFFAOYSA-N	0	2	400.413	-0.365	20	5		HBBDLN
CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1	ZINC000437315666	1070046954	/nfs/dbraw/zinc/04/69/54/1070046954.db2.gz	RPSGRFXYRXJQMZ-UHFFFAOYSA-N	0	2	412.384	-0.154	20	5		HBBDLN
COC(=O)c1ccc(S(=O)(=O)Nc2ncn(CC(=O)N(C)C)n2)c([N+](=O)[O-])c1	ZINC000437324734	1070047846	/nfs/dbraw/zinc/04/78/46/1070047846.db2.gz	KESINHBOFVBTMH-UHFFFAOYSA-N	0	2	412.384	-0.138	20	5		HBBDLN
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)NCC(F)(F)F	ZINC000442953962	1070949949	/nfs/dbraw/zinc/94/99/49/1070949949.db2.gz	ZLGYEXWHYAFVOX-UHFFFAOYSA-N	0	2	406.364	-0.141	20	5		HBBDLN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)NCC(F)(F)F)c1	ZINC000442972674	1070955231	/nfs/dbraw/zinc/95/52/31/1070955231.db2.gz	LQWHQUBQYZGFLL-UHFFFAOYSA-N	0	2	406.364	-0.141	20	5		HBBDLN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCNS(=O)(=O)NCC(F)(F)F)cc1	ZINC000442981307	1070956307	/nfs/dbraw/zinc/95/63/07/1070956307.db2.gz	YPANSOYTHJCQOA-UHFFFAOYSA-N	0	2	406.364	-0.141	20	5		HBBDLN
CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)CC1	ZINC000469504325	1072128984	/nfs/dbraw/zinc/12/89/84/1072128984.db2.gz	CHJVQBHZBWSQEZ-UHFFFAOYSA-N	0	2	413.456	-0.450	20	5		HBBDLN
O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1	ZINC000505261866	1069759870	/nfs/dbraw/zinc/75/98/70/1069759870.db2.gz	ZUMRJRAREDONSE-UHFFFAOYSA-N	0	2	400.413	-0.365	20	5		HBBDLN
CCn1cc(S(=O)(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c([N+](=O)[O-])n1	ZINC000508133764	1070760263	/nfs/dbraw/zinc/76/02/63/1070760263.db2.gz	SIHTZOCSBKQRCJ-MRVPVSSYSA-N	0	2	423.395	-0.088	20	5		HBBDLN
CCn1cc(S(=O)(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c([N+](=O)[O-])n1	ZINC000508133765	1070760415	/nfs/dbraw/zinc/76/04/15/1070760415.db2.gz	SIHTZOCSBKQRCJ-QMMMGPOBSA-N	0	2	423.395	-0.088	20	5		HBBDLN
CCn1cc(S(=O)(=O)[N-]c2ccnc(C(=O)N3CC[NH+](C)CC3)c2)c([N+](=O)[O-])n1	ZINC000537263897	1069349723	/nfs/dbraw/zinc/34/97/23/1069349723.db2.gz	HIIHRTFPPRNOPE-UHFFFAOYSA-N	0	2	423.455	-0.184	20	5		HBBDLN
O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000740790969	1069992221	/nfs/dbraw/zinc/99/22/21/1069992221.db2.gz	SBWNFBBCYMFTPE-UHFFFAOYSA-N	0	2	411.378	-0.036	20	5		HBBDLN
CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1	ZINC000813946508	1070862826	/nfs/dbraw/zinc/86/28/26/1070862826.db2.gz	ARNGEGCPEWZEQR-UHFFFAOYSA-N	0	2	422.423	-0.081	20	5		HBBDLN
O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000819212508	1070977701	/nfs/dbraw/zinc/97/77/01/1070977701.db2.gz	RKZZUSOZGNFFKS-UHFFFAOYSA-N	0	2	411.378	-0.036	20	5		HBBDLN