smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCNC(=O)CN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])CC1	ZINC000728608948	1067878954	/nfs/dbraw/zinc/87/89/54/1067878954.db2.gz	YPPZQDIFTOHIAV-UHFFFAOYSA-N	-2	1	462.553	0.762	20	30		JCEDML
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cc1	ZINC000731155127	1069799756	/nfs/dbraw/zinc/79/97/56/1069799756.db2.gz	UIXVIYANHLNMIQ-HNNXBMFYSA-N	-2	1	459.488	0.896	20	30		JCEDML
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000731155128	1069799676	/nfs/dbraw/zinc/79/96/76/1069799676.db2.gz	UIXVIYANHLNMIQ-OAHLLOKOSA-N	-2	1	459.488	0.896	20	30		JCEDML
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1	ZINC000731157041	1069799645	/nfs/dbraw/zinc/79/96/45/1069799645.db2.gz	CMJSBDCJIOILGG-UHFFFAOYSA-N	-2	1	459.488	0.753	20	30		JCEDML
CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1	ZINC000914600339	1067856329	/nfs/dbraw/zinc/85/63/29/1067856329.db2.gz	RPCUINOITJAKPP-UHFFFAOYSA-N	-2	1	450.498	0.902	20	30		JCEDML
CC(C)=Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O)O1	ZINC001174788471	1068304187	/nfs/dbraw/zinc/30/41/87/1068304187.db2.gz	HYCJWWLPFMZGRO-IVZWLZJFSA-N	-2	1	451.269	0.647	20	30		JCEDML
CC(C)=Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])O)O1	ZINC001174788471	1068304167	/nfs/dbraw/zinc/30/41/67/1068304167.db2.gz	HYCJWWLPFMZGRO-IVZWLZJFSA-N	-2	1	451.269	0.647	20	30		JCEDML
N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ncnc3c2ncn3CCOCP(=O)([O-])[O-])c1	ZINC001190616507	1069368131	/nfs/dbraw/zinc/36/81/31/1069368131.db2.gz	UEEAWKKCFHLMBB-UHFFFAOYSA-N	-3	1	456.352	0.790	20	30		JCEDML
N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ncnc3c2ncn3CCOC[P@@](=O)([O-])O)c1	ZINC001190616507	1069368124	/nfs/dbraw/zinc/36/81/24/1069368124.db2.gz	UEEAWKKCFHLMBB-UHFFFAOYSA-N	-2	1	456.352	0.790	20	30		JCEDML
Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)NCCOP(=O)([O-])[O-])c([O-])c2)cc1	ZINC001192992506	1069479579	/nfs/dbraw/zinc/47/95/79/1069479579.db2.gz	FRUJXVPQRXMQCR-UHFFFAOYSA-N	-3	1	488.411	0.884	20	30		JCEDML
Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)c([O-])c2)cc1	ZINC001192992554	1069479568	/nfs/dbraw/zinc/47/95/68/1069479568.db2.gz	HNRJPHVAWYPSQT-UHFFFAOYSA-N	-2	1	461.456	0.798	20	30		JCEDML
Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)NCS(=O)(=O)[O-])c([O-])c2)cc1	ZINC001192992662	1069479608	/nfs/dbraw/zinc/47/96/08/1069479608.db2.gz	MHPZTZCPPAHESK-UHFFFAOYSA-N	-2	1	458.470	0.620	20	30		JCEDML
COc1ccc(C#N)c(S(=O)(=O)[N-]c2ncnc3c2ncn3CCOCP(=O)([O-])[O-])c1	ZINC001193644825	1069511839	/nfs/dbraw/zinc/51/18/39/1069511839.db2.gz	RULJWMWDFPOGMA-UHFFFAOYSA-N	-3	1	468.388	0.659	20	30		JCEDML
COc1ccc(C#N)c(S(=O)(=O)[N-]c2ncnc3c2ncn3CCOC[P@](=O)([O-])O)c1	ZINC001193644825	1069511837	/nfs/dbraw/zinc/51/18/37/1069511837.db2.gz	RULJWMWDFPOGMA-UHFFFAOYSA-N	-2	1	468.388	0.659	20	30		JCEDML
C=CCOC(=O)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O)O1	ZINC001194289453	1069535743	/nfs/dbraw/zinc/53/57/43/1069535743.db2.gz	FMOOMRTYNRDKMZ-IVZWLZJFSA-N	-2	1	495.278	0.436	20	30		JCEDML
C=CCOC(=O)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])O)O1	ZINC001194289453	1069535736	/nfs/dbraw/zinc/53/57/36/1069535736.db2.gz	FMOOMRTYNRDKMZ-IVZWLZJFSA-N	-2	1	495.278	0.436	20	30		JCEDML
Cc1ccc(S(=O)(=O)[N-]c2ncnc3c2ncn3CCOCP(=O)([O-])[O-])cc1C#N	ZINC001201294774	1069885320	/nfs/dbraw/zinc/88/53/20/1069885320.db2.gz	FUPMQEPNBBSAKE-UHFFFAOYSA-N	-3	1	452.389	0.959	20	30		JCEDML
Cc1ccc(S(=O)(=O)[N-]c2ncnc3c2ncn3CCOC[P@](=O)([O-])O)cc1C#N	ZINC001201294774	1069885300	/nfs/dbraw/zinc/88/53/00/1069885300.db2.gz	FUPMQEPNBBSAKE-UHFFFAOYSA-N	-2	1	452.389	0.959	20	30		JCEDML