smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=N[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OCC(=O)[O-]	ZINC000755805831	1068298092	/nfs/dbraw/zinc/29/80/92/1068298092.db2.gz	WNMWMTOAAYRNNO-UHFFFAOYSA-N	-2	0	426.407	-1.132	20	30		IAEDRL
COc1ccc(C=N[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(OCC(=O)[O-])c1	ZINC000771898186	1068014102	/nfs/dbraw/zinc/01/41/02/1068014102.db2.gz	VYHPMQMIDHKRSF-UHFFFAOYSA-N	-2	0	426.407	-1.132	20	30		IAEDRL
C=C(C)C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12	ZINC001142519011	1067799071	/nfs/dbraw/zinc/79/90/71/1067799071.db2.gz	OXRKBSCDGATMPV-XLKFXECMSA-N	-2	0	439.475	-1.125	20	30		IAEDRL
CC#CC(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12	ZINC001179759029	1068073022	/nfs/dbraw/zinc/07/30/22/1068073022.db2.gz	UVSGRMKDWXDTFY-YMTOWFKASA-N	-2	0	437.459	-1.677	20	30		IAEDRL
CCCCCCCCS(=O)(=O)[N-][C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC001188030432	1068106964	/nfs/dbraw/zinc/10/69/64/1068106964.db2.gz	NCLVJSMEVRVLDS-DHGKCCLASA-N	-2	0	435.517	-1.107	20	30		IAEDRL
CCCCCCCCS(=O)(=O)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC001188030433	1068106872	/nfs/dbraw/zinc/10/68/72/1068106872.db2.gz	NCLVJSMEVRVLDS-KSTCHIGDSA-N	-2	0	435.517	-1.107	20	30		IAEDRL
N#CCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1	ZINC001192938837	1068117815	/nfs/dbraw/zinc/11/78/15/1068117815.db2.gz	HOYJEVDHOGCNHM-DJLDLDEBSA-N	-3	0	434.327	-1.151	20	30		IAEDRL
N#CCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O	ZINC001192939669	1068117825	/nfs/dbraw/zinc/11/78/25/1068117825.db2.gz	VJJYFSHWSUDDMM-IQEPQDSISA-N	-2	0	432.311	-1.134	20	30		IAEDRL
N#CCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O	ZINC001192939670	1068117802	/nfs/dbraw/zinc/11/78/02/1068117802.db2.gz	VJJYFSHWSUDDMM-NNXMZFEESA-N	-2	0	432.311	-1.134	20	30		IAEDRL
N#CCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O	ZINC001192939671	1068117856	/nfs/dbraw/zinc/11/78/56/1068117856.db2.gz	VJJYFSHWSUDDMM-WOUKDFQISA-N	-2	0	432.311	-1.134	20	30		IAEDRL
N#CCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)([O-])O[C@@H]12	ZINC001192951070	1068117734	/nfs/dbraw/zinc/11/77/34/1068117734.db2.gz	HEMQECVVTADIOF-IQEPQDSISA-N	-2	0	432.311	-1.134	20	30		IAEDRL
N#CCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)([O-])O[C@H]12	ZINC001192951071	1068117860	/nfs/dbraw/zinc/11/78/60/1068117860.db2.gz	HEMQECVVTADIOF-NNXMZFEESA-N	-2	0	432.311	-1.134	20	30		IAEDRL
N[C@@H](Cc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1)C(=O)ON1C(=O)CCC1=O	ZINC001218439683	1068399758	/nfs/dbraw/zinc/39/97/58/1068399758.db2.gz	CTOWMUCGWWJADK-NWDGAFQWSA-N	-2	0	446.305	-1.461	20	30		IAEDRL
C=C[C@H](O)CN[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12	ZINC001253610382	1068455723	/nfs/dbraw/zinc/45/57/23/1068455723.db2.gz	DOYZLXQDPTYGAS-ATEUNZGCSA-N	-2	0	441.491	-1.680	20	30		IAEDRL
C=C[C@@H](O)CN[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12	ZINC001253610388	1068456603	/nfs/dbraw/zinc/45/66/03/1068456603.db2.gz	DOYZLXQDPTYGAS-RFXMVYNHSA-N	-2	0	441.491	-1.680	20	30		IAEDRL
N#Cc1ccc(CS(=O)(=O)[N-][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1	ZINC001260048753	1068475186	/nfs/dbraw/zinc/47/51/86/1068475186.db2.gz	XDWOVTIFJQTRLB-DHGKCCLASA-N	-2	0	438.436	-2.395	20	30		IAEDRL
N#Cc1ccc(CS(=O)(=O)[N-][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1	ZINC001260048754	1068475261	/nfs/dbraw/zinc/47/52/61/1068475261.db2.gz	XDWOVTIFJQTRLB-KSTCHIGDSA-N	-2	0	438.436	-2.395	20	30		IAEDRL