smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1	ZINC000218616631	557210415	/nfs/dbraw/zinc/21/04/15/557210415.db2.gz	QGMMXMQDEYTJER-NRFANRHFSA-N	1	1	436.512	2.245	50	70		IEIAMO
COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1=O	ZINC000217731063	569452285	/nfs/dbraw/zinc/45/22/85/569452285.db2.gz	DXQGTGMFTKCJFO-YSIASYRMSA-N	1	1	442.560	2.277	50	70	biogenic	IEIAMO
COc1cc2c(cc1OC)CC(=O)N(CC(=O)NC[C@@H]1CCC[N@H+]3CCCC[C@H]13)C=C2	ZINC000217753645	569452821	/nfs/dbraw/zinc/45/28/21/569452821.db2.gz	IPOAWKNNMBGULF-AZUAARDMSA-N	1	1	427.545	2.440	50	70	biogenic	IEIAMO
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1	ZINC000217785321	569453189	/nfs/dbraw/zinc/45/31/89/569453189.db2.gz	COUDQRFTXJAGAO-SESVDKBCSA-N	1	1	442.560	2.277	50	70	biogenic	IEIAMO
O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217883889	569454575	/nfs/dbraw/zinc/45/45/75/569454575.db2.gz	VXENKVFMDBFXKA-PCCBWWKXSA-N	1	1	426.561	2.310	50	70	biogenic	IEIAMO
COc1ccc(CCN2C[C@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)cc1OC	ZINC000217709002	569451992	/nfs/dbraw/zinc/45/19/92/569451992.db2.gz	BILVACWSJNEWCP-PWRODBHTSA-N	1	1	443.588	2.476	50	70	biogenic	IEIAMO
O=C(C[C@@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217615521	569450220	/nfs/dbraw/zinc/45/02/20/569450220.db2.gz	LTJWZSPXQHRKOC-YSIASYRMSA-N	1	1	430.524	2.059	50	70	biogenic	IEIAMO
O=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217776794	569453014	/nfs/dbraw/zinc/45/30/14/569453014.db2.gz	FPPMXMWOWPPVBM-YSIASYRMSA-N	1	1	430.524	2.407	50	70	biogenic	IEIAMO
COc1cc(N2C[C@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)cc(OC)c1OC	ZINC000217692280	569451914	/nfs/dbraw/zinc/45/19/14/569451914.db2.gz	WBIHFVSNQDFSIS-YQVWRLOYSA-N	1	1	445.560	2.446	50	70	biogenic	IEIAMO
CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000218364040	557195689	/nfs/dbraw/zinc/19/56/89/557195689.db2.gz	YLYGPNWDUGLILD-XLIONFOSSA-N	1	1	425.533	2.012	50	70		IEIAMO
COc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1	ZINC000218031024	569455939	/nfs/dbraw/zinc/45/59/39/569455939.db2.gz	GIEBOJNVUUTFQJ-FFZOFVMBSA-N	1	1	428.533	2.281	50	70	biogenic	IEIAMO
CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000218364118	557195597	/nfs/dbraw/zinc/19/55/97/557195597.db2.gz	YLYGPNWDUGLILD-PXNSSMCTSA-N	1	1	425.533	2.012	50	70		IEIAMO
COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32c3ccccc3NC2=O)cc1OC	ZINC000217723609	557173300	/nfs/dbraw/zinc/17/33/00/557173300.db2.gz	DMYOOPSREMVGOU-XXPWESIGSA-N	1	1	433.464	2.135	50	70		IEIAMO