smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000217016338	557166921	/nfs/dbraw/zinc/16/69/21/557166921.db2.gz	OYRSFLWKAVKEHS-GOSISDBHSA-N	1	1	431.002	1.638	40	70		IDIBMO
O=C(NCCC[NH+]1CCOCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	ZINC000218438938	557199683	/nfs/dbraw/zinc/19/96/83/557199683.db2.gz	GYSCWRFBBFKKSE-OAQYLSRUSA-N	1	1	445.541	1.481	40	70		IDIBMO
C[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218492484	557203312	/nfs/dbraw/zinc/20/33/12/557203312.db2.gz	OOUMXWWQQPHSRU-ZDUSSCGKSA-N	1	1	438.377	1.986	40	70		IDIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)CN(Cc3ccccc3)S(C)(=O)=O)cc2)CC1	ZINC000216806713	557156248	/nfs/dbraw/zinc/15/62/48/557156248.db2.gz	ZQLWBSUBIUJXCH-UHFFFAOYSA-N	1	1	444.557	1.475	40	70		IDIBMO
CC[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000217016008	557166864	/nfs/dbraw/zinc/16/68/64/557166864.db2.gz	XOCDQOKYOWXGIN-GOSISDBHSA-N	1	1	431.002	1.638	40	70		IDIBMO
CN1CC[NH+](CCCNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1	ZINC000217036155	557167318	/nfs/dbraw/zinc/16/73/18/557167318.db2.gz	RVHSVXSKACAIAG-UHFFFAOYSA-N	1	1	431.002	1.640	40	70		IDIBMO
CCN(CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccccc1	ZINC000216812144	557156403	/nfs/dbraw/zinc/15/64/03/557156403.db2.gz	LSRRYHJXFAQQDF-UHFFFAOYSA-N	1	1	444.557	1.724	40	70		IDIBMO
O=C(NCCC[NH+]1CCOCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	ZINC000218438861	557199614	/nfs/dbraw/zinc/19/96/14/557199614.db2.gz	GYSCWRFBBFKKSE-NRFANRHFSA-N	1	1	445.541	1.481	40	70		IDIBMO
C[C@H](C(=O)NCCC[NH+]1CCOCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218492598	557203325	/nfs/dbraw/zinc/20/33/25/557203325.db2.gz	OOUMXWWQQPHSRU-CYBMUJFWSA-N	1	1	438.377	1.986	40	70		IDIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)CN(C3CCCCC3)S(C)(=O)=O)cc2)CC1	ZINC000216808424	557156415	/nfs/dbraw/zinc/15/64/15/557156415.db2.gz	IXAQSWJZIGQBOG-UHFFFAOYSA-N	1	1	436.578	1.607	40	70		IDIBMO
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ccc1OC	ZINC000216841358	557157416	/nfs/dbraw/zinc/15/74/16/557157416.db2.gz	ZRQKURDZHJUOJR-UHFFFAOYSA-N	1	1	446.529	1.243	40	70		IDIBMO
COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCC[NH+]1CCOCC1)S(C)(=O)=O	ZINC000218486043	557202650	/nfs/dbraw/zinc/20/26/50/557202650.db2.gz	LHYRRLKQUPNKJD-CQSZACIVSA-N	1	1	433.958	1.342	40	70		IDIBMO
CN(CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(F)cc1	ZINC000216807239	557156304	/nfs/dbraw/zinc/15/63/04/557156304.db2.gz	HRQFQKGMBNJULS-UHFFFAOYSA-N	1	1	448.520	1.473	40	70		IDIBMO
CC[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000217016301	557166844	/nfs/dbraw/zinc/16/68/44/557166844.db2.gz	OYRSFLWKAVKEHS-SFHVURJKSA-N	1	1	431.002	1.638	40	70		IDIBMO
CN1CC[NH+](CCCNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)CC1	ZINC000217036042	557167375	/nfs/dbraw/zinc/16/73/75/557167375.db2.gz	JDBKRDYNVFASMF-UHFFFAOYSA-N	1	1	431.002	1.640	40	70		IDIBMO
Cc1cc(N(CC(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)ccc1Br	ZINC000218350012	557194223	/nfs/dbraw/zinc/19/42/23/557194223.db2.gz	BAFQCPJBFSJKNP-UHFFFAOYSA-N	1	1	448.383	1.362	40	70		IDIBMO
Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216798695	557155904	/nfs/dbraw/zinc/15/59/04/557155904.db2.gz	QIRMZVVDHFZPPT-UHFFFAOYSA-N	1	1	444.557	1.642	40	70		IDIBMO
CN(c1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)cc1)S(=O)(=O)c1cccs1	ZINC000216950103	557165291	/nfs/dbraw/zinc/16/52/91/557165291.db2.gz	ITJYRNVRHVBIRO-UHFFFAOYSA-N	1	1	436.603	1.941	40	70		IDIBMO
COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCC[NH+]1CCOCC1)S(C)(=O)=O	ZINC000218485963	557202591	/nfs/dbraw/zinc/20/25/91/557202591.db2.gz	LHYRRLKQUPNKJD-AWEZNQCLSA-N	1	1	433.958	1.342	40	70		IDIBMO
CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216840276	557157431	/nfs/dbraw/zinc/15/74/31/557157431.db2.gz	RHXIQPGMTNOCHR-UHFFFAOYSA-N	1	1	444.557	1.554	40	70		IDIBMO
CC[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000217015966	557166871	/nfs/dbraw/zinc/16/68/71/557166871.db2.gz	XOCDQOKYOWXGIN-SFHVURJKSA-N	1	1	431.002	1.638	40	70		IDIBMO
CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccccc1Br	ZINC000218273989	557186978	/nfs/dbraw/zinc/18/69/78/557186978.db2.gz	PVUZHZRXVGODLM-UHFFFAOYSA-N	1	1	434.356	1.054	40	70		IDIBMO
Cn1c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1CN1CCSCC1	ZINC000217567222	557171405	/nfs/dbraw/zinc/17/14/05/557171405.db2.gz	VLRTUOMFEOVXSR-DLBZAZTESA-N	1	1	442.585	1.421	40	70		IDIBMO