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(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCCOCCOCCOCCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1	ZINC000159977726	571530768	/nfs/dbraw/zinc/53/07/68/571530768.db2.gz	HCJSAUXAUBGYDL-HZFRXHCASA-N	0	0	654.830	3.319	50	70		KGIARN
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCCOCCOCCOCCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1	ZINC000159977959	571530777	/nfs/dbraw/zinc/53/07/77/571530777.db2.gz	HCJSAUXAUBGYDL-ATNBEAFSSA-N	0	0	654.830	3.319	50	70		KGIARN
CC1(C)O[C@@H]2[C@H](OC(=O)CNC(=O)OCc3ccccc3)[C@@H]([C@H](COC(=O)CNC(=O)OCc3ccccc3)OC(=O)CNC(=O)OCc3ccccc3)O[C@H]2O1	ZINC000161291462	571531016	/nfs/dbraw/zinc/53/10/16/571531016.db2.gz	UWNHGNFQFGCESF-RKKHZNGYSA-N	0	0	793.779	3.009	50	70		KGIARN
COC(=O)COc1ccc([C@@H](CC(=O)OC)c2c(O)cc(C)n(CCc3ccc(O)cc3)c2=O)cc1OC	ZINC000217598777	571601863	/nfs/dbraw/zinc/60/18/63/571601863.db2.gz	MIRKSMREYIHUOF-OAQYLSRUSA-N	0	0	525.554	3.066	50	70		KGIARN
COC(=O)COc1ccc([C@H](CC(=O)OC)c2c(O)cc(C)n(CCc3ccc(O)cc3)c2=O)cc1OC	ZINC000217598859	571601832	/nfs/dbraw/zinc/60/18/32/571601832.db2.gz	MIRKSMREYIHUOF-NRFANRHFSA-N	0	0	525.554	3.066	50	70		KGIARN
CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)N1[C@@H]3C(=O)N(CCCC)C(=O)[C@H]3[C@@H](c3ccccc3)N21	ZINC000217626211	571602099	/nfs/dbraw/zinc/60/20/99/571602099.db2.gz	FWSVQSXGDRRHKL-HILHYHTASA-N	0	0	514.626	3.323	50	70		KGIARN
CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)N1[C@H]3C(=O)N(CCCC)C(=O)[C@H]3[C@@H](c3ccccc3)N21	ZINC000217626374	571602124	/nfs/dbraw/zinc/60/21/24/571602124.db2.gz	FWSVQSXGDRRHKL-LZNKSJHBSA-N	0	0	514.626	3.323	50	70		KGIARN
Cc1cccc(C)c1-n1nnnc1[C@H](c1ccc(Cl)cc1Cl)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCOCC2)[C@@H]3C1=O	ZINC000217661853	571602283	/nfs/dbraw/zinc/60/22/83/571602283.db2.gz	ADJWRFBQDAZQJA-PJHZGZPRSA-N	0	0	595.487	3.316	50	70		KGIARN
Cc1cccc(C)c1-n1nnnc1[C@H](c1ccc(Cl)cc1Cl)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCOCC2)[C@H]3C1=O	ZINC000217662012	571602377	/nfs/dbraw/zinc/60/23/77/571602377.db2.gz	ADJWRFBQDAZQJA-OMKYDFHHSA-N	0	0	595.487	3.316	50	70		KGIARN
COC(=O)c1nc(NC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)sc1C	ZINC000217765183	571602620	/nfs/dbraw/zinc/60/26/20/571602620.db2.gz	GDSYMJKXYXSUMH-IBGZPJMESA-N	0	0	596.662	3.465	50	70		KGIARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3cccc(-c4nnn(C)n4)c3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000217968949	571602770	/nfs/dbraw/zinc/60/27/70/571602770.db2.gz	KGDFIAROCHJUST-QHCPKHFHSA-N	0	0	599.648	3.104	50	70		KGIARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCc3ccncc3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000217971539	571603071	/nfs/dbraw/zinc/60/30/71/571603071.db2.gz	IDNRZKIXSZBJEV-QHCPKHFHSA-N	0	0	546.624	3.029	50	70		KGIARN
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1cc3cc4c(cc3[nH]c1=O)OCCO4)CC(=O)O2	ZINC000218104249	571603494	/nfs/dbraw/zinc/60/34/94/571603494.db2.gz	CAQSQEKUFGLYIY-IBGZPJMESA-N	0	0	500.507	3.159	50	70		KGIARN
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1cc3cc4c(cc3[nH]c1=O)OCCO4)CC(=O)O2	ZINC000218104359	571603432	/nfs/dbraw/zinc/60/34/32/571603432.db2.gz	CAQSQEKUFGLYIY-LJQANCHMSA-N	0	0	500.507	3.159	50	70		KGIARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000218119013	571603497	/nfs/dbraw/zinc/60/34/97/571603497.db2.gz	YYNOWNJFFKSBJU-KKSFZXQISA-N	0	0	509.603	3.286	50	70		KGIARN
COC(=O)C[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000218122250	571603522	/nfs/dbraw/zinc/60/35/22/571603522.db2.gz	FNFGJVJZSSSJQV-OAQYLSRUSA-N	0	0	504.539	3.356	50	70		KGIARN
COC(=O)C[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000218122320	571603426	/nfs/dbraw/zinc/60/34/26/571603426.db2.gz	FNFGJVJZSSSJQV-NRFANRHFSA-N	0	0	504.539	3.356	50	70		KGIARN