smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C(=O)NCCNC(=O)CCCC(=O)N(C)[O-])C(=O)NCCNC(=O)CCCC(=O)N(C)O	ZINC000005579328	562934248	/nfs/dbraw/zinc/93/42/48/562934248.db2.gz	SAMNZTSYBSAZFU-UHFFFAOYSA-N	-1	3	488.542	-1.877	1	30		JAEFHM
CC(C(=O)NCCNC(=O)CCC(=O)N(C)[O-])C(=O)NCCNC(=O)CCC(=O)N(C)O	ZINC000005579329	562934267	/nfs/dbraw/zinc/93/42/67/562934267.db2.gz	MVAQFOOXCOWIJN-UHFFFAOYSA-N	-1	3	460.488	-2.657	1	30		JAEFHM
N/C(=N\O)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc2ccccc2)cc1	ZINC000013438838	562962659	/nfs/dbraw/zinc/96/26/59/562962659.db2.gz	YVPCSDBGVOOVDK-QGZVFWFLSA-N	-1	3	463.516	-1.006	1	30		JAEFHM
Cn1ccc(S(=O)(=O)[N-][C@@H](CNC(=O)C2=NO[C@@H](CCCCNC(N)=[NH2+])C2)C(=O)[O-])n1	ZINC000028006217	563054494	/nfs/dbraw/zinc/05/44/94/563054494.db2.gz	HLYPERMHFZZNAR-JQWIXIFHSA-N	-1	3	458.501	-2.144	1	30		JAEFHM
Cn1ccc(S(=O)(=O)[N-][C@@H](CNC(=O)C2=NO[C@H](CCCCNC(N)=[NH2+])C2)C(=O)[O-])n1	ZINC000028006222	563054528	/nfs/dbraw/zinc/05/45/28/563054528.db2.gz	HLYPERMHFZZNAR-PWSUYJOCSA-N	-1	3	458.501	-2.144	1	30		JAEFHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CNC(=O)C1=NO[C@@H](CCCCNC(N)=[NH2+])C1)C(=O)[O-]	ZINC000028008503	563054652	/nfs/dbraw/zinc/05/46/52/563054652.db2.gz	MGEHYKCMVRSSIK-AAEUAGOBSA-N	-1	3	473.512	-1.272	1	30		JAEFHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CNC(=O)C1=NO[C@H](CCCCNC(N)=[NH2+])C1)C(=O)[O-]	ZINC000028008507	563054744	/nfs/dbraw/zinc/05/47/44/563054744.db2.gz	MGEHYKCMVRSSIK-YPMHNXCESA-N	-1	3	473.512	-1.272	1	30		JAEFHM
CNS(=O)(=O)NC/C(=N\OC)[C@@H]1C[C@H](SC2=C(C(=O)[O-])N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)CN1	ZINC000028709388	563076025	/nfs/dbraw/zinc/07/60/25/563076025.db2.gz	KXUDAUFRWDYOHI-IJZKTRLRSA-N	-1	3	491.592	-1.340	1	30		JAEFHM
C[C@H](N)C(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000040394997	563139003	/nfs/dbraw/zinc/13/90/03/563139003.db2.gz	YTHQXYJWHHXICR-UPYXNIGMSA-N	-1	3	488.483	-2.903	1	30		JAEFHM
CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)N[O-]	ZINC000045373770	563193999	/nfs/dbraw/zinc/19/39/99/563193999.db2.gz	BWUASXBEWIUMRX-JYJNAYRXSA-N	-1	3	480.526	-1.227	1	30		JAEFHM
COc1ccc(S(=O)(=O)N(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(=O)N[O-])cc1	ZINC000058660563	563208658	/nfs/dbraw/zinc/20/86/58/563208658.db2.gz	RBZQWZODGBMNHX-USACIQFYSA-N	-1	3	466.465	-2.992	1	30	in-vitro	JAEFHM