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([N-]c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1sccc1S(=O)(=O)N1CCCCC1	ZINC000514298792	1066255871	/nfs/dbraw/zinc/25/58/71/1066255871.db2.gz	GCJDSVCMNSFZBI-UHFFFAOYSA-N	-1	3	517.626	2.335	20	0		KEADHM
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[n-]1	ZINC000514380447	1066324720	/nfs/dbraw/zinc/32/47/20/1066324720.db2.gz	LGAQYYNTEYFGLE-KRWDZBQOSA-N	-1	3	545.687	2.287	20	0		KEADHM
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[n-]1	ZINC000514380449	1066324629	/nfs/dbraw/zinc/32/46/29/1066324629.db2.gz	LGAQYYNTEYFGLE-QGZVFWFLSA-N	-1	3	545.687	2.287	20	0		KEADHM
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)c1OC	ZINC000514388266	1066312147	/nfs/dbraw/zinc/31/21/47/1066312147.db2.gz	MRZAOWUKLPKWJF-UHFFFAOYSA-N	-1	3	559.597	2.196	20	0		KEADHM
CC(C)OC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cc(Br)ccc1Br	ZINC000514389992	1066318842	/nfs/dbraw/zinc/31/88/42/1066318842.db2.gz	USSXHLRIYITZRR-UHFFFAOYSA-N	-1	3	500.209	2.338	20	0		KEADHM
Cc1nc(C)c(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c(=O)[n-]1	ZINC000514390783	1066321053	/nfs/dbraw/zinc/32/10/53/1066321053.db2.gz	VIBYDCGBBAHCFU-UHFFFAOYSA-N	-1	3	503.625	2.382	20	0		KEADHM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1	ZINC000514390884	1066320403	/nfs/dbraw/zinc/32/04/03/1066320403.db2.gz	AKDHMZAGPYREDL-UHFFFAOYSA-N	-1	3	518.621	2.394	20	0		KEADHM
CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3nc(=O)c4c(C)c(C(=O)OC)sc4[n-]3)n2c1	ZINC000514392633	1066340402	/nfs/dbraw/zinc/34/04/02/1066340402.db2.gz	ZYZOLQOIRZYUFT-UHFFFAOYSA-N	-1	3	522.634	2.445	20	0		KEADHM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN([C@H](C)C(=O)NC4CC4)CC3)ccc2C)cc1	ZINC000514392642	1066340149	/nfs/dbraw/zinc/34/01/49/1066340149.db2.gz	ZNHSVSSETVDDJO-GOSISDBHSA-N	-1	3	500.621	2.229	20	0		KEADHM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN([C@@H](C)C(=O)NC4CC4)CC3)ccc2C)cc1	ZINC000514392643	1066340343	/nfs/dbraw/zinc/34/03/43/1066340343.db2.gz	ZNHSVSSETVDDJO-SFHVURJKSA-N	-1	3	500.621	2.229	20	0		KEADHM
CCCCCN(C(=O)CCC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000514401852	1066329994	/nfs/dbraw/zinc/32/99/94/1066329994.db2.gz	GWIDXCKJJPLHPN-UHFFFAOYSA-N	-1	3	502.498	2.410	20	0		KEADHM
CCCCCN(C(=O)CCC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000514401852	1066329976	/nfs/dbraw/zinc/32/99/76/1066329976.db2.gz	GWIDXCKJJPLHPN-UHFFFAOYSA-N	-1	3	502.498	2.410	20	0		KEADHM
Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)nc(=O)c12	ZINC000514404969	1066349674	/nfs/dbraw/zinc/34/96/74/1066349674.db2.gz	OXNBRIBBBUAICV-GOSISDBHSA-N	-1	3	529.688	2.467	20	0		KEADHM
Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)nc(=O)c12	ZINC000514404970	1066349699	/nfs/dbraw/zinc/34/96/99/1066349699.db2.gz	OXNBRIBBBUAICV-SFHVURJKSA-N	-1	3	529.688	2.467	20	0		KEADHM