smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)Nc1cc(CO)cc(Nc2c3cccc(C)c3[nH+]c3c(C(=O)NC)cccc23)c1	ZINC000027524472	563045391	/nfs/dbraw/zinc/04/53/91/563045391.db2.gz	LNUSGCBJTOKNKY-UHFFFAOYSA-N	1	1	458.518	4.860	1	10		JJCFMO
COc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)c2)c(F)c1	ZINC000034663082	563114611	/nfs/dbraw/zinc/11/46/11/563114611.db2.gz	MOCBYCDTKLLAID-IYBDPMFKSA-N	1	1	489.638	4.859	1	10		JJCFMO
Cc1ccc(N2CC[N@@H+](C[C@H](O)COc3ccc4c(c3)CCCN4Cc3ccccc3)[C@H](C)C2)cc1	ZINC000040380555	563137685	/nfs/dbraw/zinc/13/76/85/563137685.db2.gz	VNQBAVZVWMUZHC-IRPSRAIASA-N	1	1	485.672	4.898	1	10		JJCFMO
CCc1[nH+]c2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cn2c1N(C)Cc1ccc(N(C)C)cc1	ZINC000061905255	563210276	/nfs/dbraw/zinc/21/02/76/563210276.db2.gz	HJHXBBAMTSKTNX-UHFFFAOYSA-N	1	1	487.604	4.869	3	10		JJCFMO
COc1ccc(C[N@H+]2CCC[C@@H](N3CC4(OC3=O)c3ccccc3-c3ccccc34)C2)c(O)c1	ZINC000045335359	563190031	/nfs/dbraw/zinc/19/00/31/563190031.db2.gz	BSCQMZBETWLNRD-HXUWFJFHSA-N	1	1	456.542	4.742	1	10		JJCFMO
CCN(CC)C(=O)N1CC[NH+](Cc2cc(Nc3ccnc4cc(Cl)ccc43)ccc2O)CC1	ZINC000029239528	563099323	/nfs/dbraw/zinc/09/93/23/563099323.db2.gz	ARBRQCGIQVHMFV-UHFFFAOYSA-N	1	1	468.001	4.917	1	10		JJCFMO
COc1ccc(C[N@H+]2CC[C@@H](CN3CC4(OC3=O)c3ccccc3-c3ccccc34)C2)c(O)c1	ZINC000045189403	563175205	/nfs/dbraw/zinc/17/52/05/563175205.db2.gz	GOORTEMYJHGXHT-LJQANCHMSA-N	1	1	456.542	4.599	1	10		JJCFMO
Nc1ccc(NC[C@@H](O)C[NH+]2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1	ZINC000022941103	563019801	/nfs/dbraw/zinc/01/98/01/563019801.db2.gz	INUOCFOJUUCTSN-MUUNZHRXSA-N	1	1	494.630	4.550	1	10		JJCFMO
COc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)c2)cc1	ZINC000038269916	563133664	/nfs/dbraw/zinc/13/36/64/563133664.db2.gz	CBERZDKZIZGNMF-CALCHBBNSA-N	1	1	471.648	4.720	1	10		JJCFMO
Cc1ccc(N2CC[N@@H+](C[C@@H](O)COc3ccc4c(c3)CCCN4Cc3ccccc3)[C@H](C)C2)cc1	ZINC000058536429	563206922	/nfs/dbraw/zinc/20/69/22/563206922.db2.gz	VNQBAVZVWMUZHC-VAVYLYDRSA-N	1	1	485.672	4.898	1	10		JJCFMO
O=C1c2ccc(OCC[NH+]3CCCCC3)cc2C(=O)[C@]12c1ccc(O)cc1C=C2c1ccc(O)cc1	ZINC000028760198	563078147	/nfs/dbraw/zinc/07/81/47/563078147.db2.gz	HSKXJPNHMGUVPL-PMERELPUSA-N	1	1	481.548	4.834	1	10		JJCFMO
COc1ccc(C[N@H+]2CC[C@H](CN3CC4(OC3=O)c3ccccc3-c3ccccc34)C2)c(O)c1	ZINC000045189400	563175214	/nfs/dbraw/zinc/17/52/14/563175214.db2.gz	GOORTEMYJHGXHT-IBGZPJMESA-N	1	1	456.542	4.599	1	10		JJCFMO
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C[NH+](C)C)cccc21	ZINC000026842692	563036971	/nfs/dbraw/zinc/03/69/71/563036971.db2.gz	KANJADYTBUCFEA-UHFFFAOYSA-N	1	1	450.564	4.573	1	10		JJCFMO
C[N@H+](CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1cc(Cl)c2cccnc2c1O)Cc1ccccc1	ZINC000040898535	563154306	/nfs/dbraw/zinc/15/43/06/563154306.db2.gz	SERWBTCJOSXMQR-DEOSSOPVSA-N	1	1	490.947	4.840	1	10		JJCFMO
C[N@@H+](CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1cc(Cl)c2cccnc2c1O)Cc1ccccc1	ZINC000040898535	563154307	/nfs/dbraw/zinc/15/43/07/563154307.db2.gz	SERWBTCJOSXMQR-DEOSSOPVSA-N	1	1	490.947	4.840	1	10		JJCFMO
C[N@H+](CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1cc(Cl)c2cccnc2c1O)Cc1ccccc1	ZINC000040898538	563154313	/nfs/dbraw/zinc/15/43/13/563154313.db2.gz	SERWBTCJOSXMQR-XMMPIXPASA-N	1	1	490.947	4.840	1	10		JJCFMO
C[N@@H+](CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1cc(Cl)c2cccnc2c1O)Cc1ccccc1	ZINC000040898538	563154315	/nfs/dbraw/zinc/15/43/15/563154315.db2.gz	SERWBTCJOSXMQR-XMMPIXPASA-N	1	1	490.947	4.840	1	10		JJCFMO
CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3c(C(N)=O)cccc23)c(OC)c1	ZINC000026839127	563036686	/nfs/dbraw/zinc/03/66/86/563036686.db2.gz	CSJKYRQBXZYIAK-UHFFFAOYSA-N	1	1	478.574	4.781	1	10		JJCFMO
Oc1ccccc1CN(CCC[N@@H+](Cc1ccccn1)Cc1ccccc1O)Cc1ccccn1	ZINC000045227113	563179924	/nfs/dbraw/zinc/17/99/24/563179924.db2.gz	YEUXNOAMWYQJRM-UHFFFAOYSA-N	1	1	468.601	4.983	1	10		JJCFMO
COc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)cc1C	ZINC000034643417	563114446	/nfs/dbraw/zinc/11/44/46/563114446.db2.gz	GGIMLURHCSIDGB-HDICACEKSA-N	1	1	471.648	4.720	1	10		JJCFMO
NC(=[NH2+])NCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(Cl)ccc32)cc1	ZINC000026846242	563037159	/nfs/dbraw/zinc/03/71/59/563037159.db2.gz	BRCXKLZYGNNHLH-UHFFFAOYSA-N	1	1	497.024	4.790	1	10		JJCFMO
O=C1c2ccc(OCC[NH+]3CCCCC3)cc2C(=O)[C@@]12c1ccc(O)cc1C=C2c1ccc(O)cc1	ZINC000028760200	563078110	/nfs/dbraw/zinc/07/81/10/563078110.db2.gz	HSKXJPNHMGUVPL-SSEXGKCCSA-N	1	1	481.548	4.834	1	10		JJCFMO
C[N@H+](CCC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1)CCC1c2ccccc2-c2ccccc21	ZINC000040951911	563159734	/nfs/dbraw/zinc/15/97/34/563159734.db2.gz	URNNYCSBJXAUQB-UHFFFAOYSA-N	1	1	483.612	4.588	1	10		JJCFMO
COc1ccc(C[N@H+]2CCC[C@H](N3CC4(OC3=O)c3ccccc3-c3ccccc34)C2)c(O)c1	ZINC000045335356	563190007	/nfs/dbraw/zinc/19/00/07/563190007.db2.gz	BSCQMZBETWLNRD-FQEVSTJZSA-N	1	1	456.542	4.742	1	10		JJCFMO
Nc1ccc(NC[C@H](O)C[NH+]2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1	ZINC000022941106	563019836	/nfs/dbraw/zinc/01/98/36/563019836.db2.gz	INUOCFOJUUCTSN-NDEPHWFRSA-N	1	1	494.630	4.550	1	10		JJCFMO
COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3N(C)C)c3ccc(C)cc3[nH+]c12	ZINC000027726986	563050481	/nfs/dbraw/zinc/05/04/81/563050481.db2.gz	PTHHXAZHUVWNTD-UHFFFAOYSA-N	1	1	450.564	4.886	1	10		JJCFMO