smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Cc1ccc(OC)c(F)c1	ZINC001469395656	1068509150	/nfs/dbraw/zinc/50/91/50/1068509150.db2.gz	OEGKATZIZHYGIX-CYBMUJFWSA-N	-1	3	453.492	1.246	20	10		JDCDHM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC001475480082	1069476469	/nfs/dbraw/zinc/47/64/69/1069476469.db2.gz	MEKHLBYDKGGXGN-UHFFFAOYSA-N	-1	3	456.517	1.326	20	10		JDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c1	ZINC001471530485	1068875457	/nfs/dbraw/zinc/87/54/57/1068875457.db2.gz	QCDLEOAIJQRCQI-JOCHJYFZSA-N	-1	3	459.524	1.407	20	10		JDCDHM
COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1	ZINC001464770528	1067653195	/nfs/dbraw/zinc/65/31/95/1067653195.db2.gz	KUOWFNUJHDFOMU-INIZCTEOSA-N	-1	3	451.526	1.926	20	10		JDCDHM
COc1ccc(S(=O)(=O)N2CCC(CNC(=O)c3cccc(O)c3[O-])CC2)cc1OC	ZINC001465149983	1067753829	/nfs/dbraw/zinc/75/38/29/1067753829.db2.gz	VXUWLIORTSRJMX-UHFFFAOYSA-N	-1	3	450.513	1.946	20	10		JDCDHM
O=S(=O)(c1ccc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)nc1)N1CCOCC1	ZINC001474399328	1069244653	/nfs/dbraw/zinc/24/46/53/1069244653.db2.gz	RRZTZJKSLSQGAF-UHFFFAOYSA-N	-1	3	452.964	1.784	20	10		JDCDHM
CNC(=O)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Cc1ccc(OC)c(F)c1	ZINC001469395659	1068508733	/nfs/dbraw/zinc/50/87/33/1068508733.db2.gz	OEGKATZIZHYGIX-ZDUSSCGKSA-N	-1	3	453.492	1.246	20	10		JDCDHM
O=C(CN1CCN(C(=O)c2ccccc2[O-])CC1)NCc1ccc(N2CCOCC2)c(F)c1	ZINC001473243239	1069104834	/nfs/dbraw/zinc/10/48/34/1069104834.db2.gz	BZEGPOZVXPWXNE-UHFFFAOYSA-N	-1	3	456.518	1.442	20	10		JDCDHM
COC(=O)CN(CC(=O)N1CCC(C(=O)N2CCCC2)CC1)Cc1cc(Cl)ccc1[O-]	ZINC001473234510	1069103031	/nfs/dbraw/zinc/10/30/31/1069103031.db2.gz	UEMOCLOUAPLJFD-UHFFFAOYSA-N	-1	3	451.951	1.882	20	10		JDCDHM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCN2CCN(c3ccc(OC)cc3)CC2)c1	ZINC001474940084	1069312053	/nfs/dbraw/zinc/31/20/53/1069312053.db2.gz	ZORIHUXEMCHOBP-UHFFFAOYSA-N	-1	3	451.520	1.721	20	10		JDCDHM
COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1	ZINC001464770536	1067653127	/nfs/dbraw/zinc/65/31/27/1067653127.db2.gz	KUOWFNUJHDFOMU-MRXNPFEDSA-N	-1	3	451.526	1.926	20	10		JDCDHM
Cn1cc(S(=O)(=O)[N-]Cc2cc(F)c(N3CCOCC3)c(F)c2)c(Br)n1	ZINC001475373355	1069454182	/nfs/dbraw/zinc/45/41/82/1069454182.db2.gz	XHMTYUJLCCZLBP-UHFFFAOYSA-N	-1	3	451.293	1.776	20	10		JDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c1	ZINC001471530487	1068875470	/nfs/dbraw/zinc/87/54/70/1068875470.db2.gz	QCDLEOAIJQRCQI-QFIPXVFZSA-N	-1	3	459.524	1.407	20	10		JDCDHM
Cc1cc([O-])c(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1Cl	ZINC001474407328	1069244751	/nfs/dbraw/zinc/24/47/51/1069244751.db2.gz	QRGLNQGVZPNOQW-UHFFFAOYSA-N	-1	3	459.977	1.508	20	10		JDCDHM