smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NC1CCN(C)CC1	ZINC000216815858	488441579	/nfs/dbraw/zinc/44/15/79/488441579.db2.gz	IDKUYBLVDPIBFR-UHFFFAOYSA-N	0	3	373.450	0.665	40	70		FCIBHN
CCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCN(C)CC2)cc1	ZINC000216830851	519981669	/nfs/dbraw/zinc/98/16/69/519981669.db2.gz	DBBCBSUBXVQHAY-UHFFFAOYSA-N	0	3	369.487	0.964	40	70		FCIBHN
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCN(C)CC2)cc1C	ZINC000216817073	488441516	/nfs/dbraw/zinc/44/15/16/488441516.db2.gz	HEGWTEHYPXIJNF-CYBMUJFWSA-N	0	3	369.487	0.881	40	70		FCIBHN
CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN(C)CC2)cc1	ZINC000216809447	488441881	/nfs/dbraw/zinc/44/18/81/488441881.db2.gz	IQMGFQYQMVKQIO-UHFFFAOYSA-N	0	3	369.487	0.916	40	70		FCIBHN
CN(C)S(=O)(=O)c1ccc(OCC(=O)NC2CCN(C)CC2)cc1	ZINC000216834679	521987878	/nfs/dbraw/zinc/98/78/78/521987878.db2.gz	KHYQHGHFCUKEPO-UHFFFAOYSA-N	0	3	355.460	0.526	40	70		FCIBHN
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCN(C)C	ZINC000216864511	525541747	/nfs/dbraw/zinc/54/17/47/525541747.db2.gz	CFFWEOVDXRYGLB-UHFFFAOYSA-N	0	3	368.503	0.223	40	70		FCIBHN
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCN(C)CC2)cc1	ZINC000216817844	488441645	/nfs/dbraw/zinc/44/16/45/488441645.db2.gz	OUWYTRZVNYJYGX-CYBMUJFWSA-N	0	3	369.487	0.963	40	70		FCIBHN
CN1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1	ZINC000216919930	488441710	/nfs/dbraw/zinc/44/17/10/488441710.db2.gz	AJAVKPYZCJGSAT-UHFFFAOYSA-N	0	3	367.471	0.988	40	70		FCIBHN
CCNS(=O)(=O)c1cc(C(=O)NC2CCN(C)CC2)ccc1OC	ZINC000216841739	488441893	/nfs/dbraw/zinc/44/18/93/488441893.db2.gz	RMQNLIRRKXRXAW-UHFFFAOYSA-N	0	3	355.460	0.817	40	70		FCIBHN
CN1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000216906784	488441907	/nfs/dbraw/zinc/44/19/07/488441907.db2.gz	MKWMUAPQWKJDKC-CQSZACIVSA-N	0	3	367.471	0.988	40	70		FCIBHN
Cc1ccc(C(=O)NCCN(C)C)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216858483	488441796	/nfs/dbraw/zinc/44/17/96/488441796.db2.gz	QRHUPGLIYVVAHE-UHFFFAOYSA-N	0	3	368.503	0.223	40	70		FCIBHN
CN1CCC(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)CC1	ZINC000217030708	523771323	/nfs/dbraw/zinc/77/13/23/523771323.db2.gz	AUCUDBIFJHZNAH-UHFFFAOYSA-N	0	3	365.455	0.822	40	70		FCIBHN
CN1CCN(CCCNC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1	ZINC000217014386	523896741	/nfs/dbraw/zinc/89/67/41/523896741.db2.gz	LSPABGVOXDTXLW-IYBDPMFKSA-N	0	3	362.474	0.081	40	70		FCIBHN
COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN(C)CC2)cc1	ZINC000216806824	488441715	/nfs/dbraw/zinc/44/17/15/488441715.db2.gz	ZWQPAPBRHFVIJG-UHFFFAOYSA-N	0	3	355.460	0.526	40	70		FCIBHN
CN(Cc1ccc(OCC(=O)NC2CCN(C)CC2)cc1)S(C)(=O)=O	ZINC000218764000	488443344	/nfs/dbraw/zinc/44/33/44/488443344.db2.gz	ONGMZMIBNMLOGU-UHFFFAOYSA-N	0	3	369.487	0.667	40	70		FCIBHN
COc1cc(OC)cc(OCC(=O)NCCCN2CCN(C)CC2)c1	ZINC000217010449	522869670	/nfs/dbraw/zinc/86/96/70/522869670.db2.gz	JRPDBCCMNNKCGQ-UHFFFAOYSA-N	0	3	351.447	0.836	40	70		FCIBHN
CN(Cc1ccc(/C=C/C(=O)NC2CCN(C)CC2)o1)S(C)(=O)=O	ZINC000216843526	523196777	/nfs/dbraw/zinc/19/67/77/523196777.db2.gz	AWZLGKSWQVUDMH-VOTSOKGWSA-N	0	3	355.460	0.895	40	70		FCIBHN
CN1CCC(NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)CC1	ZINC000216814330	488441731	/nfs/dbraw/zinc/44/17/31/488441731.db2.gz	DSRJCASFNRAOMX-UHFFFAOYSA-N	0	3	357.451	0.798	40	70		FCIBHN
CN1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000216906815	488441966	/nfs/dbraw/zinc/44/19/66/488441966.db2.gz	MKWMUAPQWKJDKC-AWEZNQCLSA-N	0	3	367.471	0.988	40	70		FCIBHN
CC(C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCN(C)CC2)cc1	ZINC000216829454	519733271	/nfs/dbraw/zinc/73/32/71/519733271.db2.gz	VVFTZUUVXLZFEN-UHFFFAOYSA-N	0	3	369.487	0.963	40	70		FCIBHN
COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN(C)CC2)cc1C	ZINC000216809630	488441630	/nfs/dbraw/zinc/44/16/30/488441630.db2.gz	ONFBKJUPFHLECG-UHFFFAOYSA-N	0	3	369.487	0.835	40	70		FCIBHN
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCN(C)CC2)cc1C	ZINC000216817036	488441674	/nfs/dbraw/zinc/44/16/74/488441674.db2.gz	HEGWTEHYPXIJNF-ZDUSSCGKSA-N	0	3	369.487	0.881	40	70		FCIBHN
COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NC1CCN(C)CC1	ZINC000216843789	488441806	/nfs/dbraw/zinc/44/18/06/488441806.db2.gz	DGXQZARZTWFABS-UHFFFAOYSA-N	0	3	355.460	0.915	40	70		FCIBHN
Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NC1CCN(C)CC1	ZINC000216837147	525390575	/nfs/dbraw/zinc/39/05/75/525390575.db2.gz	QGRGAJSOSNPRQN-UHFFFAOYSA-N	0	3	369.487	0.835	40	70		FCIBHN
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCN(C)CC2)cc1	ZINC000216817818	488441756	/nfs/dbraw/zinc/44/17/56/488441756.db2.gz	OUWYTRZVNYJYGX-ZDUSSCGKSA-N	0	3	369.487	0.963	40	70		FCIBHN
CN1CCC(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1	ZINC000216808176	488441839	/nfs/dbraw/zinc/44/18/39/488441839.db2.gz	YMASZRRXIALEFL-UHFFFAOYSA-N	0	3	353.488	0.701	40	70		FCIBHN