smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c([N+](=O)[O-])c1	ZINC000514294313	1059182716	/nfs/dbraw/zinc/18/27/16/1059182716.db2.gz	ZYQWMIRQPXUIQB-UHFFFAOYSA-N	1	1	543.690	3.186	20	5		KGBDMO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1	ZINC000514294794	1059189438	/nfs/dbraw/zinc/18/94/38/1059189438.db2.gz	CBQGSUPPOHYPBB-NRFANRHFSA-N	1	1	509.028	3.376	20	5		KGBDMO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1	ZINC000514294799	1059189492	/nfs/dbraw/zinc/18/94/92/1059189492.db2.gz	CBQGSUPPOHYPBB-OAQYLSRUSA-N	1	1	509.028	3.376	20	5		KGBDMO
C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1	ZINC000514296368	1059216116	/nfs/dbraw/zinc/21/61/16/1059216116.db2.gz	LWYFNBBHKPMYDG-UHFFFAOYSA-N	1	1	556.689	3.374	20	5		KGBDMO
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3nc4c(s3)C[N@@H+](CC)CC4)CC2)c([N+](=O)[O-])c1	ZINC000514377451	1059325485	/nfs/dbraw/zinc/32/54/85/1059325485.db2.gz	VXSSSAZSEDNHDZ-UHFFFAOYSA-N	1	1	550.707	3.315	20	5		KGBDMO
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3nc4c(s3)C[N@H+](CC)CC4)CC2)c([N+](=O)[O-])c1	ZINC000514377451	1059325468	/nfs/dbraw/zinc/32/54/68/1059325468.db2.gz	VXSSSAZSEDNHDZ-UHFFFAOYSA-N	1	1	550.707	3.315	20	5		KGBDMO
C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1	ZINC000514379498	1059341730	/nfs/dbraw/zinc/34/17/30/1059341730.db2.gz	VZJORGRJDYASQA-UHFFFAOYSA-N	1	1	570.716	3.376	20	5		KGBDMO
C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000514380288	1059335446	/nfs/dbraw/zinc/33/54/46/1059335446.db2.gz	LCPOYAGTFVBYIU-UHFFFAOYSA-N	1	1	522.027	3.427	20	5		KGBDMO
CC(C)c1ccc(C[NH+]2CCN(C(=O)C3CCN(c4ccc(S(=O)(=O)N5CCOCC5)cc4[N+](=O)[O-])CC3)CC2)cc1	ZINC000514381960	1059422172	/nfs/dbraw/zinc/42/21/72/1059422172.db2.gz	CDPZWWCVFKTEIA-UHFFFAOYSA-N	1	1	599.754	3.300	20	5		KGBDMO
C[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	ZINC000514384865	1059357134	/nfs/dbraw/zinc/35/71/34/1059357134.db2.gz	UZDIMOMREZEWSL-NRFANRHFSA-N	1	1	535.711	3.367	20	5		KGBDMO
C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	ZINC000514384866	1059357049	/nfs/dbraw/zinc/35/70/49/1059357049.db2.gz	UZDIMOMREZEWSL-OAQYLSRUSA-N	1	1	535.711	3.367	20	5		KGBDMO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC1	ZINC000514390908	1059395334	/nfs/dbraw/zinc/39/53/34/1059395334.db2.gz	BAPSUMMXLHHVIW-UHFFFAOYSA-N	1	1	518.611	3.178	20	5		KGBDMO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC1	ZINC000514390908	1059395308	/nfs/dbraw/zinc/39/53/08/1059395308.db2.gz	BAPSUMMXLHHVIW-UHFFFAOYSA-N	1	1	518.611	3.178	20	5		KGBDMO
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)c([N+](=O)[O-])c1	ZINC000514392489	1059491381	/nfs/dbraw/zinc/49/13/81/1059491381.db2.gz	WUTRVUNDCWXWPF-UHFFFAOYSA-N	1	1	524.043	3.430	20	5		KGBDMO