smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(Oc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)CC1	ZINC000216941211	557164372	/nfs/dbraw/zinc/16/43/72/557164372.db2.gz	LMJOVNHJJHJBOJ-UHFFFAOYSA-N	0	3	425.348	3.723	40	70		IHIBHN
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(C(C)C)cc2)cc1	ZINC000216933605	557163205	/nfs/dbraw/zinc/16/32/05/557163205.db2.gz	DVKRRZSKWUNWLC-UHFFFAOYSA-N	0	3	443.613	3.524	40	70		IHIBHN
COc1ccc(-c2noc(CNC(=O)c3ccc(CN4CCCCC4)cc3)n2)c(OC)c1	ZINC000218612903	557210096	/nfs/dbraw/zinc/21/00/96/557210096.db2.gz	VFASPOGSBCCUJK-UHFFFAOYSA-N	0	3	436.512	3.670	40	70		IHIBHN
CN1CCC(Oc2ccc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1	ZINC000216941776	557164382	/nfs/dbraw/zinc/16/43/82/557164382.db2.gz	CLGISGWCFHWESV-UHFFFAOYSA-N	0	3	429.369	3.945	40	70		IHIBHN
CN1CCC(Oc2ccc(CNC(=O)COc3ccc(Br)cc3)cc2)CC1	ZINC000216950295	557165446	/nfs/dbraw/zinc/16/54/46/557165446.db2.gz	FMIPZGKZHFFWEY-UHFFFAOYSA-N	0	3	433.346	3.617	40	70		IHIBHN
Cc1cc(OCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)ccc1Br	ZINC000216950417	557165335	/nfs/dbraw/zinc/16/53/35/557165335.db2.gz	NMKCTHHLRPJTHZ-UHFFFAOYSA-N	0	3	447.373	3.926	40	70		IHIBHN
COc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1C(C)C	ZINC000217036373	557167159	/nfs/dbraw/zinc/16/71/59/557167159.db2.gz	GTUBVWXWJGVVOU-UHFFFAOYSA-N	0	3	432.586	3.770	40	70		IHIBHN
C[NH+]1CCC(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)CC1	ZINC000217022347	557167198	/nfs/dbraw/zinc/16/71/98/557167198.db2.gz	FXZVQGSECREXPR-UHFFFAOYSA-N	0	3	435.977	3.603	40	70		IHIBHN
O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000218094850	557177276	/nfs/dbraw/zinc/17/72/76/557177276.db2.gz	LVCDEWBPDNDHIO-NZQKXSOJSA-N	0	3	439.559	3.515	40	70		IHIBHN
CN1CCC(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)CC1	ZINC000216945486	557165135	/nfs/dbraw/zinc/16/51/35/557165135.db2.gz	KKUYITKITHHNOV-QHCPKHFHSA-N	0	3	444.000	3.938	40	70		IHIBHN
CN1CCC(Oc2ccc(NS(=O)(=O)Cc3ccc(Br)cc3)cc2)CC1	ZINC000216948965	557165035	/nfs/dbraw/zinc/16/50/35/557165035.db2.gz	BCACGMXWQUYOSU-UHFFFAOYSA-N	0	3	439.375	3.864	40	70		IHIBHN
CN1CCC(Oc2ccc(CNS(=O)(=O)Cc3c(F)cccc3Cl)cc2)CC1	ZINC000216948667	557165159	/nfs/dbraw/zinc/16/51/59/557165159.db2.gz	OQSJYGCUZWGMSU-UHFFFAOYSA-N	0	3	426.941	3.572	40	70		IHIBHN
COc1ccc(/C=C/C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c(OC)c1OC	ZINC000216931458	557162414	/nfs/dbraw/zinc/16/24/14/557162414.db2.gz	DNTQZKXWKNOVFP-XYOKQWHBSA-N	0	3	440.540	3.515	40	70		IHIBHN
COc1ccc(/C=C/C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c(OC)c1OC	ZINC000216931428	557162486	/nfs/dbraw/zinc/16/24/86/557162486.db2.gz	MSQSDSBYNBDYDB-WUXMJOGZSA-N	0	3	426.513	3.837	40	70		IHIBHN
CN1CCC(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)CC1	ZINC000216945505	557165147	/nfs/dbraw/zinc/16/51/47/557165147.db2.gz	KKUYITKITHHNOV-HSZRJFAPSA-N	0	3	444.000	3.938	40	70		IHIBHN
COc1ccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCCC4)cc3)n2)c(OC)c1	ZINC000218611614	557210057	/nfs/dbraw/zinc/21/00/57/557210057.db2.gz	ORYHFWPHZGFMNI-UHFFFAOYSA-N	0	3	436.512	3.622	40	70		IHIBHN