smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c([O-])c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000161499914	571530897	/nfs/dbraw/zinc/53/08/97/571530897.db2.gz	PHGHKHVDCGNPQE-MASCHLQQSA-N	-1	3	637.432	3.042	40	70		KGIBHM
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c([O-])c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000161500048	571530952	/nfs/dbraw/zinc/53/09/52/571530952.db2.gz	PHGHKHVDCGNPQE-IXSXPGEMSA-N	-1	3	637.432	3.042	40	70		KGIBHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000216821302	571599051	/nfs/dbraw/zinc/59/90/51/571599051.db2.gz	OESDUICNCHGTGS-DEOSSOPVSA-N	-1	3	571.099	3.265	40	70		KGIBHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000216821341	571599063	/nfs/dbraw/zinc/59/90/63/571599063.db2.gz	OESDUICNCHGTGS-XMMPIXPASA-N	-1	3	571.099	3.265	40	70		KGIBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2)cc1	ZINC000216831178	571599786	/nfs/dbraw/zinc/59/97/86/571599786.db2.gz	WQVJBMLZEPSJOV-UHFFFAOYSA-N	-1	3	522.627	3.201	40	70		KGIBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)cc1C	ZINC000216831517	571599815	/nfs/dbraw/zinc/59/98/15/571599815.db2.gz	MCJCUVUPBMHPBR-UHFFFAOYSA-N	-1	3	572.709	3.058	40	70		KGIBHM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216831624	571599731	/nfs/dbraw/zinc/59/97/31/571599731.db2.gz	SNGRAITZNYDVNO-UHFFFAOYSA-N	-1	3	522.627	3.201	40	70		KGIBHM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)c1	ZINC000216831811	571599763	/nfs/dbraw/zinc/59/97/63/571599763.db2.gz	LMZLGKLXVAAFJR-UHFFFAOYSA-N	-1	3	572.709	3.058	40	70		KGIBHM
Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2)c1	ZINC000216831901	571599716	/nfs/dbraw/zinc/59/97/16/571599716.db2.gz	QYXPLYKZXJLCRM-UHFFFAOYSA-N	-1	3	522.627	3.201	40	70		KGIBHM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)c1	ZINC000216832096	571599827	/nfs/dbraw/zinc/59/98/27/571599827.db2.gz	KGBWMFBWXHTBGM-UHFFFAOYSA-N	-1	3	572.709	3.058	40	70		KGIBHM
CN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)cc2)CC1	ZINC000216832398	571599689	/nfs/dbraw/zinc/59/96/89/571599689.db2.gz	UVXHDAKZWCIUNG-UHFFFAOYSA-N	-1	3	579.100	3.094	40	70		KGIBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2)cc1	ZINC000216832500	571599707	/nfs/dbraw/zinc/59/97/07/571599707.db2.gz	MRMIQTOMNVSBJV-UHFFFAOYSA-N	-1	3	552.653	3.291	40	70		KGIBHM
CN1CCN(C(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)cc2)CC1	ZINC000216832961	571599934	/nfs/dbraw/zinc/59/99/34/571599934.db2.gz	CAQYYKZUHBCLEA-UHFFFAOYSA-N	-1	3	526.590	3.032	40	70		KGIBHM
CN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)cc2)CC1	ZINC000216833469	571600093	/nfs/dbraw/zinc/60/00/93/571600093.db2.gz	GISCBRYVNVNIRZ-UHFFFAOYSA-N	-1	3	623.551	3.204	40	70		KGIBHM
CN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)cc2)CC1	ZINC000216833620	571600036	/nfs/dbraw/zinc/60/00/36/571600036.db2.gz	ZUPNYQFLHWUWHH-UHFFFAOYSA-N	-1	3	612.652	3.460	40	70		KGIBHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)cc1Cl	ZINC000216833770	571600145	/nfs/dbraw/zinc/60/01/45/571600145.db2.gz	KLMYESQRQVPSGK-UHFFFAOYSA-N	-1	3	609.126	3.103	40	70		KGIBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)cc1Cl	ZINC000216834062	571599959	/nfs/dbraw/zinc/59/99/59/571599959.db2.gz	SJIGUZNHISJHHB-UHFFFAOYSA-N	-1	3	593.127	3.403	40	70		KGIBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c(C)c2)cc1	ZINC000216835061	571600113	/nfs/dbraw/zinc/60/01/13/571600113.db2.gz	NFBWCUGHEUUQEK-UHFFFAOYSA-N	-1	3	572.709	3.058	40	70		KGIBHM
Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000216836462	571600119	/nfs/dbraw/zinc/60/01/19/571600119.db2.gz	KHTCMYAVHYQVSV-UHFFFAOYSA-N	-1	3	522.627	3.201	40	70		KGIBHM
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216836659	571599955	/nfs/dbraw/zinc/59/99/55/571599955.db2.gz	MOKCQELMFTYSBW-UHFFFAOYSA-N	-1	3	593.127	3.403	40	70		KGIBHM
Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000216836758	571600376	/nfs/dbraw/zinc/60/03/76/571600376.db2.gz	JDCSARCTFGTPAC-UHFFFAOYSA-N	-1	3	540.617	3.340	40	70		KGIBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c(C)c2)cc1	ZINC000216836947	571600306	/nfs/dbraw/zinc/60/03/06/571600306.db2.gz	UWUJRUGUWPOTNC-UHFFFAOYSA-N	-1	3	602.735	3.148	40	70		KGIBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c(C)c2)cc1C	ZINC000216837098	571600381	/nfs/dbraw/zinc/60/03/81/571600381.db2.gz	HGGLFZCJLHQHET-UHFFFAOYSA-N	-1	3	586.736	3.366	40	70		KGIBHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c(Cl)c2)cc1	ZINC000216838490	571600235	/nfs/dbraw/zinc/60/02/35/571600235.db2.gz	VJGIVFGUUXJGJN-UHFFFAOYSA-N	-1	3	609.126	3.103	40	70		KGIBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c(Cl)c2)cc1	ZINC000216838916	571600293	/nfs/dbraw/zinc/60/02/93/571600293.db2.gz	NQOTZPCLNGMFJX-UHFFFAOYSA-N	-1	3	623.153	3.493	40	70		KGIBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)cc1	ZINC000216840227	571600296	/nfs/dbraw/zinc/60/02/96/571600296.db2.gz	QNYALZXUFVUVHS-UHFFFAOYSA-N	-1	3	556.710	3.303	40	70		KGIBHM