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)CN1CC[NH+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000022013910	518889984	/nfs/dbraw/zinc/88/99/84/518889984.db2.gz	HZUVSUWHMUJMRO-MRXNPFEDSA-N	1	2	437.566	-0.699	50	30		IBEALO
C=CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000022013914	518889602	/nfs/dbraw/zinc/88/96/02/518889602.db2.gz	HZUVSUWHMUJMRO-INIZCTEOSA-N	1	2	437.566	-0.699	50	30		IBEALO
C[NH+]1CCN(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCCCCC3)CC2)CC1	ZINC000059385470	523914696	/nfs/dbraw/zinc/91/46/96/523914696.db2.gz	NMTRMKHAHKUFHA-UHFFFAOYSA-N	1	2	426.587	-0.171	50	30		IBEALO
CN(C)c1ccc(C=[NH+]Nc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1	ZINC000253496357	569283203	/nfs/dbraw/zinc/28/32/03/569283203.db2.gz	STHKNNLRWCJMPL-AKQAHRFJSA-N	1	2	444.452	-0.762	50	30		IBEALO
CN(C)c1ccc(C=[NH+]Nc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1	ZINC000253496358	569283179	/nfs/dbraw/zinc/28/31/79/569283179.db2.gz	STHKNNLRWCJMPL-ZJLCOFGPSA-N	1	2	444.452	-0.762	50	30		IBEALO
CN(C)c1ccc(C=[NH+]Nc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1	ZINC000253531949	569283940	/nfs/dbraw/zinc/28/39/40/569283940.db2.gz	STHKNNLRWCJMPL-ABYLEIOUSA-N	1	2	444.452	-0.762	50	30		IBEALO
CN(C)c1ccc(C=[NH+]Nc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1	ZINC000253531950	569283947	/nfs/dbraw/zinc/28/39/47/569283947.db2.gz	STHKNNLRWCJMPL-LRCAOYNASA-N	1	2	444.452	-0.762	50	30		IBEALO
CN(C)c1ccc(C=[NH+]Nc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000253531952	569283942	/nfs/dbraw/zinc/28/39/42/569283942.db2.gz	STHKNNLRWCJMPL-MBMVNNNZSA-N	1	2	444.452	-0.762	50	30		IBEALO