smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2nc(CCNC(=O)c3ccc(C[NH+]4CCC(C)CC4)o3)[nH]c21	ZINC000217140994	570312878	/nfs/dbraw/zinc/31/28/78/570312878.db2.gz	ZRXNNONDILWVLS-UHFFFAOYSA-N	1	1	380.492	3.669	50	70		GHIAMO
CC[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1c(C)cc(C)cc1-n1cccn1)C2	ZINC000218701709	570339300	/nfs/dbraw/zinc/33/93/00/570339300.db2.gz	SOSOWNUXFPIAIW-QFIPXVFZSA-N	1	1	379.508	3.535	50	70		GHIAMO
COc1ccc(/C=C/C[N@@H+]2CCc3nc(-c4cccc(CO)c4)[nH]c3C2)cc1	ZINC000218295368	570330387	/nfs/dbraw/zinc/33/03/87/570330387.db2.gz	IUFSNGXMHGXMBO-HWKANZROSA-N	1	1	375.472	3.649	50	70		GHIAMO
COc1ccc(/C=C/C[N@H+]2CCc3nc(-c4cccc(CO)c4)[nH]c3C2)cc1	ZINC000218295368	570330389	/nfs/dbraw/zinc/33/03/89/570330389.db2.gz	IUFSNGXMHGXMBO-HWKANZROSA-N	1	1	375.472	3.649	50	70		GHIAMO
O=c1occ(C[NH+]2CCCCC2)c([O-])c1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1	ZINC000218326153	570331264	/nfs/dbraw/zinc/33/12/64/570331264.db2.gz	QXRZEHXLAWTAJC-UHFFFAOYSA-N	1	1	398.478	3.760	50	70		GHIAMO
O=C(CCCCCN1Cc2ccccc2C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217753740	208830328	/nfs/dbraw/zinc/83/03/28/208830328.db2.gz	ZVWGEWSJVWZVRZ-SIKLNZKXSA-N	1	1	397.563	3.584	50	70	biogenic	GHIAMO
CC[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1c(C)cc(C)cc1-n1cccn1)C2	ZINC000218701618	570339399	/nfs/dbraw/zinc/33/93/99/570339399.db2.gz	SOSOWNUXFPIAIW-JOCHJYFZSA-N	1	1	379.508	3.535	50	70		GHIAMO
Cc1cncnc1C1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1	ZINC000217114731	570312940	/nfs/dbraw/zinc/31/29/40/570312940.db2.gz	AIFJQZRFYCOLLT-OAQYLSRUSA-N	1	1	378.520	3.546	50	70		GHIAMO
CC(C)c1ccc(NC(=O)COc2coc(C[NH+]3CCCCC3)cc2=O)cc1	ZINC000218281009	570329602	/nfs/dbraw/zinc/32/96/02/570329602.db2.gz	HJTWWURLVJVKPU-UHFFFAOYSA-N	1	1	384.476	3.767	50	70		GHIAMO
CN(Cc1nccs1)C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1	ZINC000216996491	570310806	/nfs/dbraw/zinc/31/08/06/570310806.db2.gz	OTAGDCDQBPNXPW-UHFFFAOYSA-N	1	1	377.513	3.974	50	70		GHIAMO
Cc1cc(C)n(-c2ccc(CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)n1	ZINC000217855544	212113584	/nfs/dbraw/zinc/11/35/84/212113584.db2.gz	GYSXTLVLSXTOSI-JTHBVZDNSA-N	1	1	394.563	3.802	50	70	biogenic	GHIAMO
Cc1cncnc1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1	ZINC000217114712	570312845	/nfs/dbraw/zinc/31/28/45/570312845.db2.gz	AIFJQZRFYCOLLT-NRFANRHFSA-N	1	1	378.520	3.546	50	70		GHIAMO
O=C(Cc1c(F)ccc(F)c1F)N1C[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2	ZINC000217156541	231030410	/nfs/dbraw/zinc/03/04/10/231030410.db2.gz	CFDQZMLZVQABLK-SJORKVTESA-N	1	1	388.433	3.769	50	70		GHIAMO