smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)(F)c1ccnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1	ZINC001164965154	722062263	/nfs/dbraw/zinc/06/22/63/722062263.db2.gz	JCSRCNIBKGWXFA-UHFFFAOYSA-N	0	0	420.510	2.254	20	70		HEIDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(=O)(=O)F)nn1)C2	ZINC001164911699	721761590	/nfs/dbraw/zinc/76/15/90/721761590.db2.gz	QYOJKQRUTHDGKI-UHFFFAOYSA-N	0	0	417.466	2.318	20	70		HEIDRN
CN(Cc1cccnc1)[C@@H]1CN(c2cc(S(=O)(=O)F)ccn2)[C@H]2CCCO[C@@H]12	ZINC001164801883	721591131	/nfs/dbraw/zinc/59/11/31/721591131.db2.gz	GCFIAHIUVPLUHO-YQVWRLOYSA-N	0	0	406.483	2.003	20	70		HEIDRN
CN(Cc1cccnc1)[C@@H]1CN(c2cc(S(=O)(=O)F)ccn2)[C@@H]2CCCO[C@H]12	ZINC001164801881	721591436	/nfs/dbraw/zinc/59/14/36/721591436.db2.gz	GCFIAHIUVPLUHO-LMMKCTJWSA-N	0	0	406.483	2.003	20	70		HEIDRN
CN(Cc1cccnc1)[C@@H]1CN(c2cc(S(=O)(=O)F)ccn2)[C@@H]2CCCO[C@@H]12	ZINC001164801889	721591127	/nfs/dbraw/zinc/59/11/27/721591127.db2.gz	GCFIAHIUVPLUHO-ZHALLVOQSA-N	0	0	406.483	2.003	20	70		HEIDRN
COc1cccc(OC)c1CN1CCC(N(C)c2ccc(S(=O)(=O)F)nn2)CC1	ZINC001165021226	721843935	/nfs/dbraw/zinc/84/39/35/721843935.db2.gz	IOVBJCWEBHGIMV-UHFFFAOYSA-N	0	0	424.498	2.253	20	70		HEIDRN
O=S(=O)(F)c1ccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nn1	ZINC001164673371	719524277	/nfs/dbraw/zinc/52/42/77/719524277.db2.gz	QMJAZCJEZREKRT-UHFFFAOYSA-N	0	0	424.473	2.145	20	70		HEIDRN
CN(Cc1cccnc1)[C@@H]1CN(c2cc(S(=O)(=O)F)ccn2)[C@H]2CCCO[C@H]12	ZINC001164801882	721591340	/nfs/dbraw/zinc/59/13/40/721591340.db2.gz	GCFIAHIUVPLUHO-SCTDSRPQSA-N	0	0	406.483	2.003	20	70		HEIDRN