smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCN(CCN(CC[NH3+])CC[NH3+])n1cc(NC(=O)c2cc(NC=O)cn2C)cc1C(=O)Nc1cc(C(=O)NCCN(C)C)n(C)c1	ZINC000026976694	561830918	/nfs/dbraw/zinc/83/09/18/561830918.db2.gz	GYAFJVCZGDFOCR-UHFFFAOYSA-N	2	3	668.848	0.487	1	0		KCAFHP
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)CCC[NH3+]	ZINC000028900568	561979754	/nfs/dbraw/zinc/97/97/54/561979754.db2.gz	AHNUNVXFZBAZNG-WHHDSKRTSA-N	2	3	617.755	0.179	1	0		KCAFHP
NC(=[NH2+])NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)NCc1ccccc1	ZINC000058547824	562699084	/nfs/dbraw/zinc/69/90/84/562699084.db2.gz	BEBJTOJTJLCIOJ-RNXOBYDBSA-N	2	3	619.775	0.240	1	0		KCAFHP
NC(=[NH2+])Nc1ccc(NC(=O)O[C@@H]2C[C@H](OC(=O)Nc3ccc(NC(N)=[NH2+])cc3)[C@@H]([NH+]=C(N)N)C[C@H]2NC(N)=[NH2+])cc1	ZINC000070613831	562716410	/nfs/dbraw/zinc/71/64/10/562716410.db2.gz	NOQJGASXZDKIAE-USTZCAOPSA-N	4	3	582.630	0.329	1	0		KCAFHP
NC(=[NH2+])Nc1ccc(NC(=O)O[C@@H]2C[C@H](OC(=O)Nc3ccc(NC(N)=[NH2+])cc3)[C@@H](NC(N)=[NH2+])C[C@H]2[NH+]=C(N)N)cc1	ZINC000070613831	562716409	/nfs/dbraw/zinc/71/64/09/562716409.db2.gz	NOQJGASXZDKIAE-USTZCAOPSA-N	4	3	582.630	0.329	1	0		KCAFHP
NC(=[NH2+])Nc1cccc(NC(=O)O[C@@H]2C[C@H](OC(=O)Nc3cccc(NC(N)=[NH2+])c3)[C@@H](NC(N)=[NH2+])C[C@H]2[NH+]=C(N)N)c1	ZINC000070613832	562716431	/nfs/dbraw/zinc/71/64/31/562716431.db2.gz	UTXMRELRWRCVAB-USTZCAOPSA-N	4	3	582.630	0.329	1	0		KCAFHP
NC(=[NH2+])Nc1cccc(NC(=O)O[C@@H]2C[C@H](OC(=O)Nc3cccc(NC(N)=[NH2+])c3)[C@@H]([NH+]=C(N)N)C[C@H]2NC(N)=[NH2+])c1	ZINC000070613832	562716430	/nfs/dbraw/zinc/71/64/30/562716430.db2.gz	UTXMRELRWRCVAB-USTZCAOPSA-N	4	3	582.630	0.329	1	0		KCAFHP
NC(=[NH2+])Nc1ccccc1NC(=O)O[C@@H]1C[C@H](OC(=O)Nc2ccccc2NC(N)=[NH2+])[C@@H]([NH+]=C(N)N)C[C@H]1NC(N)=[NH2+]	ZINC000070613833	562716397	/nfs/dbraw/zinc/71/63/97/562716397.db2.gz	SEKOSPAGVDRNPV-USTZCAOPSA-N	4	3	582.630	0.329	1	0		KCAFHP
NC(=[NH2+])Nc1ccccc1NC(=O)O[C@@H]1C[C@H](OC(=O)Nc2ccccc2NC(N)=[NH2+])[C@@H](NC(N)=[NH2+])C[C@H]1[NH+]=C(N)N	ZINC000070613833	562716396	/nfs/dbraw/zinc/71/63/96/562716396.db2.gz	SEKOSPAGVDRNPV-USTZCAOPSA-N	4	3	582.630	0.329	1	0		KCAFHP
N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H](C(=O)NCCCC[NH3+])[C@H](C(=O)NCCc2ccc3ccccc3c2)C1	ZINC000072118921	562723706	/nfs/dbraw/zinc/72/37/06/562723706.db2.gz	VKCMFKWTSKBBSM-SDHSZQHLSA-N	2	3	510.683	0.885	1	0		KCAFHP
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1	ZINC000072124773	562725128	/nfs/dbraw/zinc/72/51/28/562725128.db2.gz	KKEYXRCJOMIHJA-PMVMPFDFSA-N	2	3	634.785	0.612	1	0		KCAFHP
NC(=[NH2+])NCCC[C@@H]([N-]S(=O)(=O)Cc1ccccc1)C(=O)[C@H](CCCNC(N)=[NH2+])NCc1ccc(C(N)=[NH2+])cc1	ZINC000072178590	562732097	/nfs/dbraw/zinc/73/20/97/562732097.db2.gz	NUFYRQVPEAXSPJ-FCHUYYIVSA-N	2	3	572.740	0.013	1	0		KCAFHP
NCCC[NH2+]CCCC[NH2+]CCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2ccccc12	ZINC000086043558	562753440	/nfs/dbraw/zinc/75/34/40/562753440.db2.gz	ILUCYJIKJBTHOD-VWLOTQADSA-N	2	3	572.755	0.172	1	0		KCAFHP
CCCC(=O)N[C@@H](Cc1cc(I)c([O-])c(I)c1)C(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@@H](N)CCCNC(N)=[NH2+]	ZINC000095550250	562760052	/nfs/dbraw/zinc/76/00/52/562760052.db2.gz	OAAQEYQIFYXRKL-ZEQRLZLVSA-N	2	3	843.594	0.991	1	0		KCAFHP
CN1CCN(CC2C(=O)[O+]=NN2c2ccc(Cc3ccc(N4N=[O+]C(=O)C4CN4CCN(C)CC4)cc3)cc2)CC1	ZINC000103191096	562815671	/nfs/dbraw/zinc/81/56/71/562815671.db2.gz	MCQKFYOVSMOFJJ-UHFFFAOYSA-P	2	3	562.675	0.713	1	0		KCAFHP
CN[C@@H](CC(C)C)C(=O)N[C@@H](CCC[NH3+])C(=O)N[C@@H](CCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000169322809	562856870	/nfs/dbraw/zinc/85/68/70/562856870.db2.gz	OZQCWRYLWDBALE-LJADHVKFSA-N	2	3	744.942	0.971	1	0		KCAFHP
CN[C@H](C(=O)N[C@@H](CCC[NH3+])C(=O)N[C@@H](CCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)C(C)C	ZINC000169322812	562856864	/nfs/dbraw/zinc/85/68/64/562856864.db2.gz	JOJPCMQTNGMJAL-ZTTXAYQISA-N	2	3	730.915	0.581	1	0		KCAFHP
Cc1ccc(-c2ncc(C[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc3ccccc3)[nH]2)cc1	ZINC000169341635	562860842	/nfs/dbraw/zinc/86/08/42/562860842.db2.gz	KFJJFBSRHPDIIB-GSDHBNRESA-N	2	3	646.801	0.067	1	0		KCAFHP
COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1cnc(-c2ccc(-c3ccccc3)cc2)[nH]1)NC(=O)[C@@H](N)CCCNC(N)=[NH2+]	ZINC000169341657	562860879	/nfs/dbraw/zinc/86/08/79/562860879.db2.gz	WKAFVWQVHOLYPP-SDHOMARFSA-N	2	3	633.758	0.283	1	0		KCAFHP