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(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1cccc(-c2nnc[nH]2)c1	ZINC000218295928	568477959	/nfs/dbraw/zinc/47/79/59/568477959.db2.gz	YZLNFSLYOALDEP-KRWDZBQOSA-N	0	1	404.430	2.311	50	70		HEIAMN
NC(=O)COc1ccc(S(=O)(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc1	ZINC000217287005	568868663	/nfs/dbraw/zinc/86/86/63/568868663.db2.gz	VZQFHRYKGISNCK-UHFFFAOYSA-N	0	1	420.472	2.340	50	70		HEIAMN
COC(=O)C[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1c(O)cc(C)oc1=O	ZINC000218113874	568925858	/nfs/dbraw/zinc/92/58/58/568925858.db2.gz	RIRZXGLDKALVIG-CYBMUJFWSA-N	0	1	406.387	2.291	50	70	biogenic	HEIAMN
COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32c3ccccc3NC2=O)c1	ZINC000217699318	568473595	/nfs/dbraw/zinc/47/35/95/568473595.db2.gz	GMNXXRIOIFEQEK-YWNPBTLJSA-N	0	1	403.438	2.126	50	70		HEIAMN
COC(=O)C[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1c(O)cc(C)oc1=O	ZINC000218113944	568925942	/nfs/dbraw/zinc/92/59/42/568925942.db2.gz	RIRZXGLDKALVIG-ZDUSSCGKSA-N	0	1	406.387	2.291	50	70	biogenic	HEIAMN
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1cnc[nH]1	ZINC000217614599	568898911	/nfs/dbraw/zinc/89/89/11/568898911.db2.gz	ITASKNNZCOGBPF-NRFANRHFSA-N	0	1	415.453	2.274	50	70	biogenic	HEIAMN
O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1cccc(-c2nnc[nH]2)c1	ZINC000218355482	568479016	/nfs/dbraw/zinc/47/90/16/568479016.db2.gz	NZAHANUXHIFAOQ-INIZCTEOSA-N	0	1	408.393	2.060	50	70		HEIAMN
CC(C)Cc1nc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n[nH]1	ZINC000218385283	568479580	/nfs/dbraw/zinc/47/95/80/568479580.db2.gz	CAMFHGPSKMMGLB-ZDUSSCGKSA-N	0	1	404.858	2.106	50	70		HEIAMN
CC(C)Cc1n[nH]c(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n1	ZINC000218385283	568479581	/nfs/dbraw/zinc/47/95/81/568479581.db2.gz	CAMFHGPSKMMGLB-ZDUSSCGKSA-N	0	1	404.858	2.106	50	70		HEIAMN
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1cnc[nH]1	ZINC000217614526	568898860	/nfs/dbraw/zinc/89/88/60/568898860.db2.gz	ITASKNNZCOGBPF-OAQYLSRUSA-N	0	1	415.453	2.274	50	70	biogenic	HEIAMN
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1nnc(CCc2ccccc2)[nH]1	ZINC000218033763	569039151	/nfs/dbraw/zinc/03/91/51/569039151.db2.gz	KKPBFNZPRYAMDD-MPGHIAIKSA-N	0	1	414.535	2.254	50	70	biogenic	HEIAMN
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1nc(CCc2ccccc2)n[nH]1	ZINC000218033763	569039152	/nfs/dbraw/zinc/03/91/52/569039152.db2.gz	KKPBFNZPRYAMDD-MPGHIAIKSA-N	0	1	414.535	2.254	50	70	biogenic	HEIAMN
O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1cccc(-c2nnc[nH]2)c1	ZINC000218186332	568476178	/nfs/dbraw/zinc/47/61/78/568476178.db2.gz	XVAWJHZWWGLLHL-SFHVURJKSA-N	0	1	418.457	2.354	50	70		HEIAMN
CC(C)Cc1nc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n[nH]1	ZINC000218186718	568476119	/nfs/dbraw/zinc/47/61/19/568476119.db2.gz	HOFGTINBPYJZFE-AWEZNQCLSA-N	0	1	418.885	2.496	50	70		HEIAMN
CC(C)Cc1n[nH]c(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n1	ZINC000218186718	568476120	/nfs/dbraw/zinc/47/61/20/568476120.db2.gz	HOFGTINBPYJZFE-AWEZNQCLSA-N	0	1	418.885	2.496	50	70		HEIAMN
COc1ccc(CN2CCC(NC(=O)CNc3nc(C)cc(C)n3)CC2)cc1OC	ZINC000218434427	568480369	/nfs/dbraw/zinc/48/03/69/568480369.db2.gz	ZDPAYQJZWJIPSO-UHFFFAOYSA-N	0	1	413.522	2.303	50	70		HEIAMN