smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1CCN1CCOCC1	ZINC000012481209	527629847	/nfs/dbraw/zinc/62/98/47/527629847.db2.gz	VYMRAZQEOMWNTK-IRXDYDNUSA-N	-1	1	428.451	2.981	10	0		IFAEMM
Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)[N-]c1ccc(I)cc1	ZINC000011635267	557217595	/nfs/dbraw/zinc/21/75/95/557217595.db2.gz	UUEWKHZUWWJITN-UHFFFAOYSA-N	-1	1	429.239	2.570	10	0		IFAEMM
COCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)CCC1	ZINC000033277503	557059078	/nfs/dbraw/zinc/05/90/78/557059078.db2.gz	AVACIEZTYDEDGW-UHFFFAOYSA-N	-1	1	448.541	2.689	10	0		IFAEMM
CC(C)(C)c1ccc(C(=O)[N-]C(=O)COC(=O)CCS(=O)(=O)c2ccccc2)cc1	ZINC000009584634	562973612	/nfs/dbraw/zinc/97/36/12/562973612.db2.gz	JNSZPKBLNMSHKV-UHFFFAOYSA-N	-1	1	431.510	2.648	10	0		IFAEMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H]3C(=O)NC3CC3)cc2)c(C)c1	ZINC000021713162	525598695	/nfs/dbraw/zinc/59/86/95/525598695.db2.gz	LGRDWLKEMYCPMS-FQEVSTJZSA-N	-1	1	441.553	2.987	10	0		IFAEMM
CCOC(=O)[C@H](CC[NH2+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)[O-])c1ccccc1	ZINC000035566837	521244657	/nfs/dbraw/zinc/24/46/57/521244657.db2.gz	URHDLNBYCJJQOO-CVEARBPZSA-N	-1	1	432.439	2.615	10	0		IFAEMM
O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1	ZINC000021706887	527491827	/nfs/dbraw/zinc/49/18/27/527491827.db2.gz	OJWFKNPSIAFCTR-INIZCTEOSA-N	-1	1	445.516	2.757	10	0		IFAEMM
O=C([O-])c1cc(NC(=O)c2ccccc2)cnc1N1CCC(CCN2CCOCC2)CC1	ZINC000064978872	569078093	/nfs/dbraw/zinc/07/80/93/569078093.db2.gz	BPBUUIYMOGBZET-UHFFFAOYSA-N	-1	1	438.528	2.971	10	0		IFAEMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H]3C(=O)NC3CC3)cc2)c(C)c1	ZINC000021713158	525597429	/nfs/dbraw/zinc/59/74/29/525597429.db2.gz	LGRDWLKEMYCPMS-HXUWFJFHSA-N	-1	1	441.553	2.987	10	0		IFAEMM
O=C(Nc1ccccn1)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1	ZINC000003958203	562940041	/nfs/dbraw/zinc/94/00/41/562940041.db2.gz	DYHIDFWZUJVUIZ-KRWDZBQOSA-N	-1	1	425.495	2.745	10	0	aggregator	IFAEMM
O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1	ZINC000021706884	527488897	/nfs/dbraw/zinc/48/88/97/527488897.db2.gz	OJWFKNPSIAFCTR-MRXNPFEDSA-N	-1	1	445.516	2.757	10	0		IFAEMM
CCS(=O)(=O)[N-]c1cc2c(cc1OC)n(S(=O)(=O)CC)c1c2C(=O)CC(C)(C)C1	ZINC000008870466	569480676	/nfs/dbraw/zinc/48/06/76/569480676.db2.gz	BAZGMELKPZLHKC-UHFFFAOYSA-N	-1	1	442.559	2.764	10	0		IFAEMM
CCOC(=O)[C@@H](CC[NH2+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)[O-])c1ccccc1	ZINC000035566835	521060562	/nfs/dbraw/zinc/06/05/62/521060562.db2.gz	URHDLNBYCJJQOO-HOTGVXAUSA-N	-1	1	432.439	2.615	10	0		IFAEMM
O=C(Nc1ccccn1)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1	ZINC000003958206	562940044	/nfs/dbraw/zinc/94/00/44/562940044.db2.gz	DYHIDFWZUJVUIZ-QGZVFWFLSA-N	-1	1	425.495	2.745	10	0	aggregator	IFAEMM