smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[S@@+](CCON)C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000013537723	560218878	/nfs/dbraw/zinc/21/88/78/560218878.db2.gz	RMAOLICYOBWFLA-MGXVIFQTSA-N	1	0	357.416	-1.834	1	30	in-vitro	FAEFRO
C[S@+](CCON)C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000013537726	560218889	/nfs/dbraw/zinc/21/88/89/560218889.db2.gz	RMAOLICYOBWFLA-VLQWXRLFSA-N	1	0	357.416	-1.834	1	30	in-vitro	FAEFRO
CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000013646340	211046166	/nfs/dbraw/zinc/04/61/66/211046166.db2.gz	LJHGALIOHLRRQN-DCAQKATOSA-N	1	0	358.443	-1.513	1	30		FAEFRO
CC(=O)N[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)N[C@@H](CC[NH3+])C(N)=O	ZINC000013809536	204555099	/nfs/dbraw/zinc/55/50/99/204555099.db2.gz	RBDZHBNCYGVQCO-IUCAKERBSA-N	1	0	360.375	-3.314	1	30		FAEFRO
COC(=O)NCCC[C@H]([NH3+])CC(=O)N(C)[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000026494762	204852002	/nfs/dbraw/zinc/85/20/02/204852002.db2.gz	RGKPCUOMVPPHQX-DTWKUNHWSA-N	1	0	371.398	-1.975	1	30		FAEFRO
[N-]=[N+]=N[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](CCCNC(N)=N[N+](=O)[O-])C(N)=O)C1	ZINC000027764872	220547134	/nfs/dbraw/zinc/54/71/34/220547134.db2.gz	RZVCQXPIUDYYLX-XLPZGREQSA-N	1	0	356.347	-2.127	1	30		FAEFRO
O=C1C[C@@H](O)[C@@H]2[C@H](O)[C@]13C[C@@H](O)NC1=C3C3=[N+]2CCc2c[nH]c(c23)C1=O	ZINC000049109799	210190135	/nfs/dbraw/zinc/19/01/35/210190135.db2.gz	CUHRPNQIGJRXJO-ZGCPCHQBSA-O	1	0	356.358	-1.802	1	30	in-vivo	FAEFRO
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CS)C(N)=O	ZINC000049110990	221019693	/nfs/dbraw/zinc/01/96/93/221019693.db2.gz	QKLCQMKMJCLLEG-UWVGGRQHSA-N	1	0	360.484	-1.320	1	30		FAEFRO
[N-]=[N+]=N[C@H]1C[NH2+][C@@H](C(=O)C[C@@H](CCCNC(N)=N[N+](=O)[O-])C(N)=O)C1	ZINC000053243806	205192750	/nfs/dbraw/zinc/19/27/50/205192750.db2.gz	FFVKGWXPOSRUAD-IWSPIJDZSA-N	1	0	355.359	-1.036	1	30		FAEFRO
[N-]=[N+]=N[C@@H]1C[NH2+][C@@H](C(=O)C[C@@H](CCCNC(N)=N[N+](=O)[O-])C(N)=O)C1	ZINC000053243808	221045286	/nfs/dbraw/zinc/04/52/86/221045286.db2.gz	FFVKGWXPOSRUAD-HRDYMLBCSA-N	1	0	355.359	-1.036	1	30		FAEFRO
CN(C(=O)C[C@@H]([NH3+])CCCNC(N)=O)[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000066099116	205363951	/nfs/dbraw/zinc/36/39/51/205363951.db2.gz	DKKCKAGPWBNIMY-JGVFFNPUSA-N	1	0	356.387	-2.026	1	30		FAEFRO
CN(C(=O)C[C@@H]([NH3+])CCCNC(N)=O)[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000066099119	205363795	/nfs/dbraw/zinc/36/37/95/205363795.db2.gz	DKKCKAGPWBNIMY-YUMQZZPRSA-N	1	0	356.387	-2.026	1	30		FAEFRO
CN(C(=O)C[C@@H]([NH3+])CC=C([O-])NC(N)=[NH2+])[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000066099233	221241305	/nfs/dbraw/zinc/24/13/05/221241305.db2.gz	TXZGIBIXTQYMTR-NKWVEPMBSA-N	1	0	369.386	-2.895	1	30		FAEFRO
CN(C(=O)C[C@@H]([NH3+])CC=C([O-])NC(N)=[NH2+])[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000066099236	205364723	/nfs/dbraw/zinc/36/47/23/205364723.db2.gz	TXZGIBIXTQYMTR-BQBZGAKWSA-N	1	0	369.386	-2.895	1	30		FAEFRO
CN(C(=O)C[C@H](CCCC[NH3+])NC=O)[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000066157301	221243215	/nfs/dbraw/zinc/24/32/15/221243215.db2.gz	CESXZEKHSUANEE-VHSXEESVSA-N	1	0	355.399	-1.559	1	30		FAEFRO
CN(C(=O)C[C@H](CCCC[NH3+])NC=O)[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000066157303	221242818	/nfs/dbraw/zinc/24/28/18/221242818.db2.gz	CESXZEKHSUANEE-UWVGGRQHSA-N	1	0	355.399	-1.559	1	30		FAEFRO
CCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1	ZINC000101345274	222270223	/nfs/dbraw/zinc/27/02/23/222270223.db2.gz	GOWXONIFDQHALJ-ZDVFKUJDSA-N	1	0	372.466	-1.085	1	30		FAEFRO