smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2[nH]c(CCNC(=O)c3ccc(CN4CCC(C)CC4)o3)nc21	ZINC000217140994	570312880	/nfs/dbraw/zinc/31/28/80/570312880.db2.gz	ZRXNNONDILWVLS-UHFFFAOYSA-N	0	1	380.492	3.669	50	70		GHIAMN
COC(=O)c1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)sc1C	ZINC000218153083	570326612	/nfs/dbraw/zinc/32/66/12/570326612.db2.gz	WHIMKPAXUCVRND-UHFFFAOYSA-N	0	1	376.825	3.534	50	70		GHIAMN
CC[C@H](O)c1cc2n(n1)CCCN(Cc1c(C)cc(C)cc1-n1cccn1)C2	ZINC000218701709	570339305	/nfs/dbraw/zinc/33/93/05/570339305.db2.gz	SOSOWNUXFPIAIW-QFIPXVFZSA-N	0	1	379.508	3.535	50	70		GHIAMN
O=S(=O)(Nc1nc(SCc2ccccc2)n[nH]1)C1=Cc2ccccc2CC1	ZINC000160432943	570322253	/nfs/dbraw/zinc/32/22/53/570322253.db2.gz	UYAAZPIJSAYUBU-UHFFFAOYSA-N	0	1	398.513	3.826	50	70		GHIAMN
O=C(c1c[nH]c2ccccc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000218319512	570331211	/nfs/dbraw/zinc/33/12/11/570331211.db2.gz	ISYSILFOFXSWDR-UHFFFAOYSA-N	0	1	382.847	3.718	50	70		GHIAMN
CC[C@@H](O)c1cc2n(n1)CCCN(Cc1c(C)cc(C)cc1-n1cccn1)C2	ZINC000218701618	570339401	/nfs/dbraw/zinc/33/94/01/570339401.db2.gz	SOSOWNUXFPIAIW-JOCHJYFZSA-N	0	1	379.508	3.535	50	70		GHIAMN
Cc1cncnc1C1CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CC1	ZINC000217114731	570312942	/nfs/dbraw/zinc/31/29/42/570312942.db2.gz	AIFJQZRFYCOLLT-OAQYLSRUSA-N	0	1	378.520	3.546	50	70		GHIAMN
CSCC[C@H](NC(=O)c1[nH]nc2c1CCCCC2)c1nc2ccccc2n1C	ZINC000218212293	570327923	/nfs/dbraw/zinc/32/79/23/570327923.db2.gz	DKMPIUIZSFZQLH-KRWDZBQOSA-N	0	1	397.548	3.790	50	70		GHIAMN
COc1ccc(CCc2nnc(NC(=O)CCc3c[nH]c4ccccc34)[nH]2)cc1	ZINC000218155487	570326587	/nfs/dbraw/zinc/32/65/87/570326587.db2.gz	FDFNWTZAFPCTLU-UHFFFAOYSA-N	0	1	389.459	3.651	50	70		GHIAMN
COc1ccc(CCc2n[nH]c(NC(=O)CCc3c[nH]c4ccccc34)n2)cc1	ZINC000218155487	570326588	/nfs/dbraw/zinc/32/65/88/570326588.db2.gz	FDFNWTZAFPCTLU-UHFFFAOYSA-N	0	1	389.459	3.651	50	70		GHIAMN
COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3cccnc3)n[nH]2)cc1OC	ZINC000217991579	209184592	/nfs/dbraw/zinc/18/45/92/209184592.db2.gz	YAFMTIUQVGGNPB-IBGZPJMESA-N	0	1	392.459	3.856	50	70	biogenic	GHIAMN
CC(C)CCn1cnc2ccc(NC(=O)c3cc(-c4ccco4)n[nH]3)cc2c1=O	ZINC000218434545	527886257	/nfs/dbraw/zinc/88/62/57/527886257.db2.gz	WIOBREOQZZVZHE-UHFFFAOYSA-N	0	1	391.431	3.678	50	70		GHIAMN
Cc1cncnc1C1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1	ZINC000217114712	570312847	/nfs/dbraw/zinc/31/28/47/570312847.db2.gz	AIFJQZRFYCOLLT-NRFANRHFSA-N	0	1	378.520	3.546	50	70		GHIAMN