smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]ccn1CCC(=O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1	ZINC000217162332	570313179	/nfs/dbraw/zinc/31/31/79/570313179.db2.gz	XWLVBGJSGSTSRF-UHFFFAOYSA-N	1	1	383.518	0.847	50	70		GCIAMO
CS(=O)(=O)N1CCN(Cc2oc(C[NH+]3CCCCC3)cc(=O)c2O)CC1	ZINC000218563219	570336621	/nfs/dbraw/zinc/33/66/21/570336621.db2.gz	NMPKDLDCEVPCBU-UHFFFAOYSA-N	1	1	385.486	0.409	50	70		GCIAMO
CCN(C)CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1	ZINC000216898038	570309124	/nfs/dbraw/zinc/30/91/24/570309124.db2.gz	LMGZVFPATSEDAN-GOSISDBHSA-N	1	1	393.576	0.415	50	70		GCIAMO
CCN(C)CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1	ZINC000216898038	570309126	/nfs/dbraw/zinc/30/91/26/570309126.db2.gz	LMGZVFPATSEDAN-GOSISDBHSA-N	1	1	393.576	0.415	50	70		GCIAMO
COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCC[NH+]3CCOCC3)C2=O)cc1	ZINC000218444549	570334470	/nfs/dbraw/zinc/33/44/70/570334470.db2.gz	VVQABEROSSORCJ-INIZCTEOSA-N	1	1	390.440	0.349	50	70		GCIAMO
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCCn3cc[nH+]c3C)C2=O)cc1	ZINC000218500402	570335556	/nfs/dbraw/zinc/33/55/56/570335556.db2.gz	YALQVBROGAQVKB-KRWDZBQOSA-N	1	1	399.451	0.870	50	70		GCIAMO
CS(=O)(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1	ZINC000218128588	570325586	/nfs/dbraw/zinc/32/55/86/570325586.db2.gz	ZHLBKHFRRBHHTG-FCGDIQPGSA-N	1	1	379.526	0.946	50	70		GCIAMO
COC(=O)CC1CC[NH+](Cc2oc(CN3CCOCC3)cc(=O)c2O)CC1	ZINC000218465980	570334952	/nfs/dbraw/zinc/33/49/52/570334952.db2.gz	DXKSGCHPRPHJSV-UHFFFAOYSA-N	1	1	380.441	0.953	50	70		GCIAMO
CO[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C1	ZINC000217761755	570320857	/nfs/dbraw/zinc/32/08/57/570320857.db2.gz	KRZFGTDXBSDSTI-MRXNPFEDSA-N	1	1	381.498	0.874	50	70		GCIAMO
CO[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C1	ZINC000217761755	570320860	/nfs/dbraw/zinc/32/08/60/570320860.db2.gz	KRZFGTDXBSDSTI-MRXNPFEDSA-N	1	1	381.498	0.874	50	70		GCIAMO
COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)NCCn2cc[nH+]c2C)C1=O	ZINC000218344796	570332202	/nfs/dbraw/zinc/33/22/02/570332202.db2.gz	WMVIARNCIKKFFG-INIZCTEOSA-N	1	1	399.451	0.870	50	70		GCIAMO
C[NH+]1CCN(CCC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)CC1	ZINC000218389786	570333257	/nfs/dbraw/zinc/33/32/57/570333257.db2.gz	CRLWSUQBGRDJIA-RTBURBONSA-N	1	1	377.485	0.469	50	70		GCIAMO