smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSC[C@H](C)NC(=O)N1CCC([C@@H](C)O)CC1	ZINC000160418114	533774297	/nfs/dbraw/zinc/77/42/97/533774297.db2.gz	KWKHIFVJWLKRMC-VHSXEESVSA-N	0	2	260.403	1.540	10	70		CDIELN
CNC(=O)CCCN(C)C(=O)c1c(O)cc(F)cc1F	ZINC000159383390	539114048	/nfs/dbraw/zinc/11/40/48/539114048.db2.gz	CYYZORBROIVCPB-UHFFFAOYSA-N	0	2	286.278	1.269	10	70		CDIELN
CCC[C@H](C(=O)N1CC[N@H+](CCOCC)[C@H](C)C1)[NH+](C)C	ZINC000160883525	362193559	/nfs/dbraw/zinc/19/35/59/362193559.db2.gz	MYKGOGTZPDCFTM-HUUCEWRRSA-N	0	2	299.459	1.286	10	70		CDIELN
Cn1cc(S(=O)(=O)Nc2cc(O)cc(F)c2)cn1	ZINC000161284257	237196143	/nfs/dbraw/zinc/19/61/43/237196143.db2.gz	WEIKLABPTKUQJE-UHFFFAOYSA-N	0	2	271.273	1.066	10	70		CDIELN
Cc1noc(C)c1S(=O)(=O)Nc1cc(O)cc(F)c1	ZINC000161298452	237197369	/nfs/dbraw/zinc/19/73/69/237197369.db2.gz	YYSPGZSNJVWECZ-UHFFFAOYSA-N	0	2	286.284	1.937	10	70		CDIELN
CCC[C@@H](C(=O)N1CC[N@H+](CCOCC)[C@H](C)C1)[NH+](C)C	ZINC000160883385	362192694	/nfs/dbraw/zinc/19/26/94/362192694.db2.gz	MYKGOGTZPDCFTM-CABCVRRESA-N	0	2	299.459	1.286	10	70		CDIELN
O=C(NCCO)c1ccc(Cl)c(Cl)c1O	ZINC000159435376	358540619	/nfs/dbraw/zinc/54/06/19/358540619.db2.gz	REMLKTSTKPBLOE-UHFFFAOYSA-N	0	2	250.081	1.421	10	70		CDIELN
CCn1cc(S(=O)(=O)Nc2cc(O)cc(F)c2)cn1	ZINC000161302348	237197670	/nfs/dbraw/zinc/19/76/70/237197670.db2.gz	OSYQTIKQKCTCDQ-UHFFFAOYSA-N	0	2	285.300	1.549	10	70		CDIELN
CSC[C@H](C)NC(=O)N1CCC([C@H](C)O)CC1	ZINC000160418399	533774885	/nfs/dbraw/zinc/77/48/85/533774885.db2.gz	KWKHIFVJWLKRMC-UWVGGRQHSA-N	0	2	260.403	1.540	10	70		CDIELN
O=C(NCCSCCCO)c1c(O)cc(F)cc1F	ZINC000161487983	373761974	/nfs/dbraw/zinc/76/19/74/373761974.db2.gz	BMLTUZLMWFGWNH-UHFFFAOYSA-N	0	2	291.319	1.516	10	70		CDIELN
O=C(c1c(O)cc(F)cc1F)N1CCC(O)CC1	ZINC000159840692	539114760	/nfs/dbraw/zinc/11/47/60/539114760.db2.gz	HLRJGSFJGOMRRS-UHFFFAOYSA-N	0	2	257.236	1.267	10	70		CDIELN