smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1	ZINC000217020108	557166821	/nfs/dbraw/zinc/16/68/21/557166821.db2.gz	OBQRTNAUZDVKDA-SFHVURJKSA-N	0	3	438.594	1.294	40	70		IDIBHN
CC[C@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000217016338	557166924	/nfs/dbraw/zinc/16/69/24/557166924.db2.gz	OYRSFLWKAVKEHS-GOSISDBHSA-N	0	3	431.002	1.638	40	70		IDIBHN
CN1CCC(NC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1	ZINC000216829607	557156713	/nfs/dbraw/zinc/15/67/13/557156713.db2.gz	CMMVDOITGQQDOO-UHFFFAOYSA-N	0	3	431.558	1.797	40	70		IDIBHN
CN1CCC(Oc2ccc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1	ZINC000218331229	557193555	/nfs/dbraw/zinc/19/35/55/557193555.db2.gz	WQRTYULULJHRJW-UHFFFAOYSA-N	0	3	429.498	1.943	40	70		IDIBHN
CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1	ZINC000217020065	557166958	/nfs/dbraw/zinc/16/69/58/557166958.db2.gz	OBQRTNAUZDVKDA-GOSISDBHSA-N	0	3	438.594	1.294	40	70		IDIBHN
COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCN(C)CC3)CC2)cc1Cl	ZINC000216823031	557156619	/nfs/dbraw/zinc/15/66/19/557156619.db2.gz	NNLDWALKHQBFGE-UHFFFAOYSA-N	0	3	429.970	1.960	40	70		IDIBHN
COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCN(C)CC2)C1	ZINC000216827613	557156629	/nfs/dbraw/zinc/15/66/29/557156629.db2.gz	CFGAHCQWHPORTC-CQSZACIVSA-N	0	3	429.970	1.960	40	70		IDIBHN
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NC3CCN(C)CC3)CC2)c1	ZINC000216822883	557156197	/nfs/dbraw/zinc/15/61/97/557156197.db2.gz	BAPBRVZLIMVZIE-UHFFFAOYSA-N	0	3	425.551	1.315	40	70		IDIBHN
CC[C@H](C(=O)NCCCN1CCN(C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000217016008	557166866	/nfs/dbraw/zinc/16/68/66/557166866.db2.gz	XOCDQOKYOWXGIN-GOSISDBHSA-N	0	3	431.002	1.638	40	70		IDIBHN
CN1CCN(CCCNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1	ZINC000217036155	557167325	/nfs/dbraw/zinc/16/73/25/557167325.db2.gz	RVHSVXSKACAIAG-UHFFFAOYSA-N	0	3	431.002	1.640	40	70		IDIBHN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCN(C)CC3)C2)cc1Cl	ZINC000216824351	557156587	/nfs/dbraw/zinc/15/65/87/557156587.db2.gz	IFJJMFHDCLXUBN-CQSZACIVSA-N	0	3	429.970	1.960	40	70		IDIBHN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCN(C)CC3)C2)cc1OC	ZINC000216826237	557156770	/nfs/dbraw/zinc/15/67/70/557156770.db2.gz	OJOVNBVNLVVGEZ-OAHLLOKOSA-N	0	3	425.551	1.315	40	70		IDIBHN
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCN(C)CC3)C2)c1	ZINC000216826019	557156653	/nfs/dbraw/zinc/15/66/53/557156653.db2.gz	ILFLGBJTZJJWDY-HNNXBMFYSA-N	0	3	425.551	1.315	40	70		IDIBHN
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCN(C)CC3)C2)cc1OC	ZINC000216826273	557156600	/nfs/dbraw/zinc/15/66/00/557156600.db2.gz	OJOVNBVNLVVGEZ-HNNXBMFYSA-N	0	3	425.551	1.315	40	70		IDIBHN
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCN(C)CC3)C2)c1	ZINC000216825980	557156636	/nfs/dbraw/zinc/15/66/36/557156636.db2.gz	ILFLGBJTZJJWDY-OAHLLOKOSA-N	0	3	425.551	1.315	40	70		IDIBHN
COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CCN(C)CC2)CC1	ZINC000216827458	557156753	/nfs/dbraw/zinc/15/67/53/557156753.db2.gz	OIOBRKFCYIHQDA-UHFFFAOYSA-N	0	3	429.970	1.960	40	70		IDIBHN
CN(C)S(=O)(=O)N1CCC(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC1	ZINC000216943891	557164598	/nfs/dbraw/zinc/16/45/98/557164598.db2.gz	LPCFZZMEKGBZNI-UHFFFAOYSA-N	0	3	438.594	1.294	40	70		IDIBHN
CC[C@@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000217016301	557166846	/nfs/dbraw/zinc/16/68/46/557166846.db2.gz	OYRSFLWKAVKEHS-SFHVURJKSA-N	0	3	431.002	1.638	40	70		IDIBHN
CN1CCN(CCCNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)CC1	ZINC000217036042	557167380	/nfs/dbraw/zinc/16/73/80/557167380.db2.gz	JDBKRDYNVFASMF-UHFFFAOYSA-N	0	3	431.002	1.640	40	70		IDIBHN
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCN(C)CC3)C2)cc1Cl	ZINC000216824383	557156701	/nfs/dbraw/zinc/15/67/01/557156701.db2.gz	IFJJMFHDCLXUBN-AWEZNQCLSA-N	0	3	429.970	1.960	40	70		IDIBHN
CN(c1ccc(C(=O)NCCCN2CCN(C)CC2)cc1)S(=O)(=O)c1cccs1	ZINC000216950103	557165296	/nfs/dbraw/zinc/16/52/96/557165296.db2.gz	ITJYRNVRHVBIRO-UHFFFAOYSA-N	0	3	436.603	1.941	40	70		IDIBHN
COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCN(C)CC2)C1	ZINC000216827650	557156790	/nfs/dbraw/zinc/15/67/90/557156790.db2.gz	CFGAHCQWHPORTC-AWEZNQCLSA-N	0	3	429.970	1.960	40	70		IDIBHN
CC[C@@H](C(=O)NCCCN1CCN(C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000217015966	557166874	/nfs/dbraw/zinc/16/68/74/557166874.db2.gz	XOCDQOKYOWXGIN-SFHVURJKSA-N	0	3	431.002	1.638	40	70		IDIBHN
Cn1c(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c(O)c1CN1CCSCC1	ZINC000217567222	557171416	/nfs/dbraw/zinc/17/14/16/557171416.db2.gz	VLRTUOMFEOVXSR-DLBZAZTESA-N	0	3	442.585	1.421	40	70		IDIBHN