smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216785612	569879302	/nfs/dbraw/zinc/87/93/02/569879302.db2.gz	WFMICOUMKDXZQQ-UHFFFAOYSA-N	0	0	468.557	0.531	40	70		JCIBRN
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000216788622	569879258	/nfs/dbraw/zinc/87/92/58/569879258.db2.gz	HVFHPMJDNCOYFL-UHFFFAOYSA-N	0	0	468.557	0.531	40	70		JCIBRN
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1N1CCN(C)CC1	ZINC000216791750	569879277	/nfs/dbraw/zinc/87/92/77/569879277.db2.gz	SJMGYHXPLDGCJN-UHFFFAOYSA-N	0	0	467.573	0.246	40	70		JCIBRN
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1N1CCN(C)CC1	ZINC000216794881	569879397	/nfs/dbraw/zinc/87/93/97/569879397.db2.gz	YFDCJARCVFVPHP-UHFFFAOYSA-N	0	0	481.600	0.636	40	70		JCIBRN
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216806950	569879480	/nfs/dbraw/zinc/87/94/80/569879480.db2.gz	UOYCYFQXQQCDIF-UHFFFAOYSA-N	0	0	496.611	0.891	40	70		JCIBRN
CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)C1	ZINC000216828794	569879628	/nfs/dbraw/zinc/87/96/28/569879628.db2.gz	XWXUEYXQNLWFDQ-MRXNPFEDSA-N	0	0	458.606	0.623	40	70		JCIBRN
CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)C1	ZINC000216828828	569879622	/nfs/dbraw/zinc/87/96/22/569879622.db2.gz	XWXUEYXQNLWFDQ-INIZCTEOSA-N	0	0	458.606	0.623	40	70		JCIBRN
CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216834770	569879688	/nfs/dbraw/zinc/87/96/88/569879688.db2.gz	KKQAICROTRGHHZ-UHFFFAOYSA-N	0	0	496.611	0.891	40	70		JCIBRN
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1OC	ZINC000216841405	569879779	/nfs/dbraw/zinc/87/97/79/569879779.db2.gz	UARUKZDRCCHVMA-UHFFFAOYSA-N	0	0	482.584	0.792	40	70		JCIBRN
CCOc1cc(=O)c2c(O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc-2c1	ZINC000217357027	569879916	/nfs/dbraw/zinc/87/99/16/569879916.db2.gz	PHTZWFITMNFQCB-LDBVRRDLSA-N	0	0	460.435	0.743	40	70		JCIBRN
COCCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCCOC)[C@@H]1c1ccc2c(c1)OCO2	ZINC000217659725	569880900	/nfs/dbraw/zinc/88/09/00/569880900.db2.gz	CWUBYUVPEPMVTM-YXTQBTIXSA-N	0	0	452.456	0.834	40	70		JCIBRN
COC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12	ZINC000217802985	569881724	/nfs/dbraw/zinc/88/17/24/569881724.db2.gz	IAVIOSIECRAVBW-CROMWVBPSA-N	0	0	453.451	0.882	40	70		JCIBRN
COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12	ZINC000217803065	569881659	/nfs/dbraw/zinc/88/16/59/569881659.db2.gz	IAVIOSIECRAVBW-GBPOLFSSSA-N	0	0	453.451	0.882	40	70		JCIBRN