smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C(NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br)C(=O)OCC	ZINC000013248988	1073026457	/nfs/dbraw/zinc/02/64/57/1073026457.db2.gz	XSBLBQUTGBFHHM-UHFFFAOYSA-N	-1	2	438.252	0.920	20	0		ICADLM
C[C@@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)[C@H]1C[N@H+](C)CCN1C	ZINC001471599723	1069459934	/nfs/dbraw/zinc/45/99/34/1069459934.db2.gz	FWZSOSWKITXTQC-DZUCGIPZSA-N	-1	2	449.518	0.878	20	0		ICADLM
C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)[C@@H]1C[N@H+](C)CCN1C	ZINC001471599732	1069459662	/nfs/dbraw/zinc/45/96/62/1069459662.db2.gz	FWZSOSWKITXTQC-ORQFMDKSSA-N	-1	2	449.518	0.878	20	0		ICADLM
C[C@@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)[C@@H]1C[N@H+](C)CCN1C	ZINC001471599735	1069459720	/nfs/dbraw/zinc/45/97/20/1069459720.db2.gz	FWZSOSWKITXTQC-SIXLDLHFSA-N	-1	2	449.518	0.878	20	0		ICADLM
C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)[C@H]1C[N@H+](C)CCN1C	ZINC001471599739	1069459995	/nfs/dbraw/zinc/45/99/95/1069459995.db2.gz	FWZSOSWKITXTQC-SVGFKBNWSA-N	-1	2	449.518	0.878	20	0		ICADLM
O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F	ZINC001526764132	1071287295	/nfs/dbraw/zinc/28/72/95/1071287295.db2.gz	STMXWWATYCQYQR-APPZFPTMSA-N	-1	2	440.304	0.672	20	0		ICADLM
COC(=O)c1cc(S(=O)(=O)NCc2n[nH]c([C@@H]3CCOC3)n2)c(Br)o1	ZINC001561841721	1073383174	/nfs/dbraw/zinc/38/31/74/1073383174.db2.gz	DXMOFHGLSUSSMB-SSDOTTSWSA-N	-1	2	435.256	0.929	20	0		ICADLM
COC(=O)c1cc(S(=O)(=O)NCc2n[nH]c([C@H]3CCOC3)n2)c(Br)o1	ZINC001561841726	1073383130	/nfs/dbraw/zinc/38/31/30/1073383130.db2.gz	DXMOFHGLSUSSMB-ZETCQYMHSA-N	-1	2	435.256	0.929	20	0		ICADLM
CC(C)(NC(=O)C(F)(F)F)C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC001567787360	1071934177	/nfs/dbraw/zinc/93/41/77/1071934177.db2.gz	DVHQBUFCSLSILT-UHFFFAOYSA-N	-1	2	442.382	0.421	20	0		ICADLM