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(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1	ZINC000410424118	1066281077	/nfs/dbraw/zinc/28/10/77/1066281077.db2.gz	QWYHNAKFQWRLTI-UHFFFAOYSA-N	1	0	500.003	0.938	20	0		KCADRO
CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1	ZINC000514297952	1066209996	/nfs/dbraw/zinc/20/99/96/1066209996.db2.gz	YBTDVFKVLRZJAI-NHCUHLMSSA-N	1	0	547.678	0.963	20	0		KCADRO
CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1	ZINC000514297953	1066209923	/nfs/dbraw/zinc/20/99/23/1066209923.db2.gz	YBTDVFKVLRZJAI-OYRHEFFESA-N	1	0	547.678	0.963	20	0		KCADRO
CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1	ZINC000514297954	1066209861	/nfs/dbraw/zinc/20/98/61/1066209861.db2.gz	YBTDVFKVLRZJAI-SFTDATJTSA-N	1	0	547.678	0.963	20	0		KCADRO
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1	ZINC000514302216	1066212419	/nfs/dbraw/zinc/21/24/19/1066212419.db2.gz	MUAQPMJELKBDJH-UHFFFAOYSA-N	1	0	560.681	0.245	20	0		KCADRO
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)CC2)cc1	ZINC000514387252	1066218684	/nfs/dbraw/zinc/21/86/84/1066218684.db2.gz	DVFDHVFRJBSSCM-UHFFFAOYSA-N	1	0	549.719	0.669	20	0		KCADRO
C[C@H](NC(=O)c1ccco1)C(=O)NCCCN1CC[NH+](CCCNC(=O)[C@H](C)NC(=O)c2ccco2)CC1	ZINC000514387596	1066220362	/nfs/dbraw/zinc/22/03/62/1066220362.db2.gz	KDXHAOKKDLSOMP-PMACEKPBSA-N	1	0	530.626	0.440	20	0		KCADRO
NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1	ZINC000514391373	1066222828	/nfs/dbraw/zinc/22/28/28/1066222828.db2.gz	IJWGUNDSDSWDNJ-UHFFFAOYSA-N	1	0	512.629	0.919	20	0		KCADRO
CC[NH+]1CCC(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1	ZINC000514400815	1066225648	/nfs/dbraw/zinc/22/56/48/1066225648.db2.gz	BFNCQFWCHVPAGN-UHFFFAOYSA-N	1	0	516.064	0.832	20	0		KCADRO
NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1	ZINC000514402947	1066226923	/nfs/dbraw/zinc/22/69/23/1066226923.db2.gz	UEYXCHDFQFNSEA-UHFFFAOYSA-N	1	0	500.668	0.887	20	0		KCADRO
NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)cc1Cl	ZINC001218877966	1066285022	/nfs/dbraw/zinc/28/50/22/1066285022.db2.gz	XFUFVOKNWWHRLD-BLVKFPJESA-N	1	0	500.002	0.299	20	0		KCADRO
NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)cc1Cl	ZINC001218877967	1066285969	/nfs/dbraw/zinc/28/59/69/1066285969.db2.gz	XFUFVOKNWWHRLD-BUXKBTBVSA-N	1	0	500.002	0.299	20	0		KCADRO
NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)cc1Cl	ZINC001218877968	1066285852	/nfs/dbraw/zinc/28/58/52/1066285852.db2.gz	XFUFVOKNWWHRLD-CWTRNNRKSA-N	1	0	500.002	0.299	20	0		KCADRO
NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)cc1Cl	ZINC001218877969	1066286014	/nfs/dbraw/zinc/28/60/14/1066286014.db2.gz	XFUFVOKNWWHRLD-HXPMCKFVSA-N	1	0	500.002	0.299	20	0		KCADRO
Nc1ccc(S(=O)(=O)N(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)c2ccc(Cl)nn2)cc1	ZINC001218884240	1066285872	/nfs/dbraw/zinc/28/58/72/1066285872.db2.gz	HIYVCRKPSVIHKW-HNNXBMFYSA-N	1	0	500.002	0.849	20	0		KCADRO
Nc1ccc(S(=O)(=O)N(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)c2ccc(Cl)nn2)cc1	ZINC001218884242	1066285992	/nfs/dbraw/zinc/28/59/92/1066285992.db2.gz	HIYVCRKPSVIHKW-OAHLLOKOSA-N	1	0	500.002	0.849	20	0		KCADRO
Nc1ccc(S(=O)(=O)N(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)c2cncc(Cl)n2)cc1	ZINC001219378316	1066285670	/nfs/dbraw/zinc/28/56/70/1066285670.db2.gz	OWSGIHCHUBMUFF-HNNXBMFYSA-N	1	0	500.002	0.849	20	0		KCADRO
Nc1ccc(S(=O)(=O)N(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)c2cncc(Cl)n2)cc1	ZINC001219378317	1066285982	/nfs/dbraw/zinc/28/59/82/1066285982.db2.gz	OWSGIHCHUBMUFF-OAHLLOKOSA-N	1	0	500.002	0.849	20	0		KCADRO
Nc1ccc(S(=O)(=O)N=c2cncc(Cl)n2C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)cc1	ZINC001219467898	1066285641	/nfs/dbraw/zinc/28/56/41/1066285641.db2.gz	SCCLHUBWPJTSAO-HNNXBMFYSA-N	1	0	500.002	0.463	20	0		KCADRO
Nc1ccc(S(=O)(=O)N=c2cncc(Cl)n2C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)cc1	ZINC001219467899	1066286006	/nfs/dbraw/zinc/28/60/06/1066286006.db2.gz	SCCLHUBWPJTSAO-OAHLLOKOSA-N	1	0	500.002	0.463	20	0		KCADRO