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)COc1ccc(C(=O)c2ccc([O-])c(CNC(C)=O)c2)c(Cl)c1Cl	ZINC000029337493	563078302	/nfs/dbraw/zinc/07/83/02/563078302.db2.gz	PMOIHAIQVRSYOV-UHFFFAOYSA-N	-1	1	440.279	3.508	1	10		IHCFMM
O=C([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3[C@H]3C=CC[C@H]32)c1	ZINC000012428651	526394350	/nfs/dbraw/zinc/39/43/50/526394350.db2.gz	GQICLGHDBAZQOY-WAOWUJCRSA-N	-1	1	448.504	3.802	2	10		IHCFMM
COc1ccc(CC(=O)[O-])cc1C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1	ZINC000084617526	563174446	/nfs/dbraw/zinc/17/44/46/563174446.db2.gz	MLAJCQYUIRABMM-UHFFFAOYSA-N	-1	1	439.489	3.663	1	10		IHCFMM
O=c1[n-]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccc(COc2ccccc2)cc1	ZINC000040847565	563107700	/nfs/dbraw/zinc/10/77/00/563107700.db2.gz	QWPYKIFJOOWEMU-UHFFFAOYSA-N	-1	1	427.467	3.656	1	10		IHCFMM
O=C(CCCc1ccc([N+](=O)[O-])cn1)N1CCc2c(Cl)c([O-])c(O)c(Cl)c2C1	ZINC000058591008	563145431	/nfs/dbraw/zinc/14/54/31/563145431.db2.gz	JBNJOCVZGFEDOT-UHFFFAOYSA-N	-1	1	426.256	3.615	1	10		IHCFMM
O=C1[N-]C(=S)S/C1=C/c1ccc2c(c1)N(Cc1ccc(F)c(Cl)c1)C(=O)CO2	ZINC000003960731	132268448	/nfs/dbraw/zinc/26/84/48/132268448.db2.gz	KWDKVVZOYYHCRG-FRKPEAEDSA-N	-1	1	434.901	3.894	1	10		IHCFMM
CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1[N+](=O)[O-]	ZINC000058592552	563145614	/nfs/dbraw/zinc/14/56/14/563145614.db2.gz	SSRTYCVXBCODPQ-UHFFFAOYSA-N	-1	1	438.462	3.636	1	10		IHCFMM
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(F)c([O-])c(F)c3)cc2)cc1	ZINC000064448992	563153482	/nfs/dbraw/zinc/15/34/82/563153482.db2.gz	NGIJPEVBGICFFB-UHFFFAOYSA-N	-1	1	434.420	3.732	1	10		IHCFMM
O=C([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3[C@H]3C=CC[C@@H]32)c1	ZINC000012428653	526394014	/nfs/dbraw/zinc/39/40/14/526394014.db2.gz	GQICLGHDBAZQOY-BBTUJRGHSA-N	-1	1	448.504	3.802	2	10		IHCFMM
O=c1cc(OCCCCCCO[N+](=O)[O-])cc2oc(-c3ccc(O)c(O)c3)cc([O-])c1-2	ZINC000096273322	563196818	/nfs/dbraw/zinc/19/68/18/563196818.db2.gz	FLDSJZRFTQZMMV-UHFFFAOYSA-N	-1	1	431.397	3.724	1	10		IHCFMM
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OCCCCCCO[N+](=O)[O-])cc([O-])c12	ZINC000096273322	563196819	/nfs/dbraw/zinc/19/68/19/563196819.db2.gz	FLDSJZRFTQZMMV-UHFFFAOYSA-N	-1	1	431.397	3.724	1	10		IHCFMM
O=C1CCCN1Cc1c(Br)c([O-])c(O)c(Br)c1Br	ZINC000028707379	563062113	/nfs/dbraw/zinc/06/21/13/563062113.db2.gz	VZZUKOXTBHFIKN-UHFFFAOYSA-N	-1	1	443.917	3.508	1	10		IHCFMM
CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@H](O)[C@@]34Cc3c(c(C=O)cc(O)c3[O-])O4)[C@@]2(C)CC[C@@H]1O	ZINC000040891671	563109875	/nfs/dbraw/zinc/10/98/75/563109875.db2.gz	UAJIAJOUVSPPNY-RDIJYYOSSA-N	-1	1	444.568	3.958	1	10		IHCFMM