smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1N[C@@]([N-]c2ccccn2)(C(F)(F)F)C(=O)N1c1cccc(C(F)(F)F)c1	ZINC000020534461	558385590	/nfs/dbraw/zinc/38/55/90/558385590.db2.gz	QJYANEIWYVDPLQ-CQSZACIVSA-N	-1	3	404.270	3.527	10	0		HHAEHM
COc1cc2[n-]c(=S)n(C3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC	ZINC000002974301	568832328	/nfs/dbraw/zinc/83/23/28/568832328.db2.gz	SQGRYXAOZNBXFI-UHFFFAOYSA-N	-1	3	411.527	3.913	10	0		HHAEHM
Cc1cccc(Cc2nc3c(c(=O)[n-]2)CN(C(=O)Nc2cccc(Cl)c2)CC3)c1	ZINC000004754679	559050949	/nfs/dbraw/zinc/05/09/49/559050949.db2.gz	SDQKVRPYVJWALK-UHFFFAOYSA-N	-1	3	408.889	3.913	10	0		HHAEHM
CCCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)CC1	ZINC000064589394	569068975	/nfs/dbraw/zinc/06/89/75/569068975.db2.gz	JQMGRZGIYRHRON-UHFFFAOYSA-N	-1	3	401.894	3.823	10	0		HHAEHM
O=C1N[C@]([N-]c2ccccn2)(C(F)(F)F)C(=O)N1c1cccc(C(F)(F)F)c1	ZINC000020534464	558385612	/nfs/dbraw/zinc/38/56/12/558385612.db2.gz	QJYANEIWYVDPLQ-AWEZNQCLSA-N	-1	3	404.270	3.527	10	0		HHAEHM
COc1ccc(-c2nnc3n2c2ccccc2c(=O)n3Cc2ccc(F)cc2)c([O-])c1	ZINC000006781185	568459249	/nfs/dbraw/zinc/45/92/49/568459249.db2.gz	XVCXVVWBOCTMNK-UHFFFAOYSA-N	-1	3	416.412	3.613	10	0		HHAEHM
CCC[C@@H](C(=O)[O-])N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1	ZINC000725240710	559067305	/nfs/dbraw/zinc/06/73/05/559067305.db2.gz	XUAGCDONODYBTK-QFIPXVFZSA-N	-1	3	408.498	3.806	10	0		HHAEHM
COc1cccc(-c2nnc3n2c2ccccc2c(=O)n3CCc2ccccc2)c1[O-]	ZINC000004193497	560893777	/nfs/dbraw/zinc/89/37/77/560893777.db2.gz	OOAASKBLWDENTD-UHFFFAOYSA-N	-1	3	412.449	3.668	10	0		HHAEHM
COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1	ZINC000009714598	132342957	/nfs/dbraw/zinc/34/29/57/132342957.db2.gz	VTVSQOALPCLEFG-UHFFFAOYSA-N	-1	3	424.526	3.943	10	0		HHAEHM
Cn1cc(C(N)=O)c([C@@H]2CCCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])C2)n1	ZINC000328605965	569418314	/nfs/dbraw/zinc/41/83/14/569418314.db2.gz	PXYOHRBOAZGMDJ-GOSISDBHSA-N	-1	3	418.497	3.620	10	0		HHAEHM
CCOc1ccc(NC(=O)N2CCc3c(=O)[n-]c(-c4ccc(F)cc4)nc3C2)cc1	ZINC000097151940	568714373	/nfs/dbraw/zinc/71/43/73/568714373.db2.gz	IOEBWYZAHOOEBE-UHFFFAOYSA-N	-1	3	408.433	3.565	10	0		HHAEHM
COc1cccc(-c2nnc3n2c2ccccc2c(=O)n3Cc2ccc(C)cc2)c1[O-]	ZINC000006781149	568459209	/nfs/dbraw/zinc/45/92/09/568459209.db2.gz	RILOQGNNIAKUBB-UHFFFAOYSA-N	-1	3	412.449	3.782	10	0		HHAEHM
O=C1CCCC[C@]1([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cccc2c1NCC2	ZINC000089210456	526973544	/nfs/dbraw/zinc/97/35/44/526973544.db2.gz	GEMLPSCMIODPLK-FQEVSTJZSA-N	-1	3	404.919	3.625	10	0		HHAEHM
CCC[C@H](C(=O)[O-])N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1	ZINC000725240709	559067300	/nfs/dbraw/zinc/06/73/00/559067300.db2.gz	XUAGCDONODYBTK-JOCHJYFZSA-N	-1	3	408.498	3.806	10	0		HHAEHM
O=C1CCCC[C@@]1([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cccc2c1NCC2	ZINC000089210453	526972400	/nfs/dbraw/zinc/97/24/00/526972400.db2.gz	GEMLPSCMIODPLK-HXUWFJFHSA-N	-1	3	404.919	3.625	10	0		HHAEHM
COCCOC([O-])=NC(=O)Nc1ccc(C(=O)c2ccc(Br)cc2)cc1	ZINC000020227753	558349634	/nfs/dbraw/zinc/34/96/34/558349634.db2.gz	BCJQZNSIABKCOS-UHFFFAOYSA-N	-1	3	421.247	3.585	10	0		HHAEHM
COCCOC(=O)N=C([O-])Nc1ccc(C(=O)c2ccc(Br)cc2)cc1	ZINC000020227753	558349636	/nfs/dbraw/zinc/34/96/36/558349636.db2.gz	BCJQZNSIABKCOS-UHFFFAOYSA-N	-1	3	421.247	3.585	10	0		HHAEHM
Cn1cc(C(N)=O)c([C@H]2CCCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])C2)n1	ZINC000328605968	569418332	/nfs/dbraw/zinc/41/83/32/569418332.db2.gz	PXYOHRBOAZGMDJ-SFHVURJKSA-N	-1	3	418.497	3.620	10	0		HHAEHM