smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1	ZINC000216810515	206360226	/nfs/dbraw/zinc/36/02/26/206360226.db2.gz	XQZCNHYSRUMEGB-UHFFFAOYSA-N	0	3	353.488	1.216	40	70		FDIBHN
CCN(c1ccc(OCC(=O)NC2CCN(C)CC2)cc1)S(C)(=O)=O	ZINC000216843255	521492466	/nfs/dbraw/zinc/49/24/66/521492466.db2.gz	DXMFXGQBFLPEKI-UHFFFAOYSA-N	0	3	369.487	1.062	40	70		FDIBHN
CCCNS(=O)(=O)c1cc(C(=O)NC2CCN(C)CC2)ccc1OC	ZINC000216842100	519980659	/nfs/dbraw/zinc/98/06/59/519980659.db2.gz	QFGAJPCBCDOCAP-UHFFFAOYSA-N	0	3	369.487	1.208	40	70		FDIBHN
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCN(C)CC1	ZINC000216923238	568154783	/nfs/dbraw/zinc/15/47/83/568154783.db2.gz	MSVBNIXZVTURRD-UHFFFAOYSA-N	0	3	369.487	1.662	40	70		FDIBHN
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN(C)C1	ZINC000216911322	568153392	/nfs/dbraw/zinc/15/33/92/568153392.db2.gz	JRYDNIYPOVTXJE-CQSZACIVSA-N	0	3	351.472	1.168	40	70		FDIBHN
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NC2CCN(C)CC2)c(C)c1	ZINC000216807479	568141535	/nfs/dbraw/zinc/14/15/35/568141535.db2.gz	VVULQEKFPGJJJA-UHFFFAOYSA-N	0	3	367.515	1.443	40	70		FDIBHN
CC(C)NS(=O)(=O)c1ccc(CCC(=O)NC2CCN(C)CC2)cc1	ZINC000216839094	519732945	/nfs/dbraw/zinc/73/29/45/519732945.db2.gz	YNSJTDNSJQVJCW-UHFFFAOYSA-N	0	3	367.515	1.516	40	70		FDIBHN
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC1CCN(C)CC1	ZINC000216897988	568152003	/nfs/dbraw/zinc/15/20/03/568152003.db2.gz	YDROXKQTLCFIGP-UHFFFAOYSA-N	0	3	365.499	1.558	40	70		FDIBHN
C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(C)CC1	ZINC000216816523	568142833	/nfs/dbraw/zinc/14/28/33/568142833.db2.gz	JRPMIJCHQNZKEC-LLVKDONJSA-N	0	3	359.879	1.217	40	70		FDIBHN
CN1CCC(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1	ZINC000216811040	206361076	/nfs/dbraw/zinc/36/10/76/206361076.db2.gz	WIKKZJPIKKJOOI-UHFFFAOYSA-N	0	3	373.906	1.312	40	70		FDIBHN
CCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccc(F)cc1	ZINC000216812772	568142384	/nfs/dbraw/zinc/14/23/84/568142384.db2.gz	UJVVUEFPFZNYTO-UHFFFAOYSA-N	0	3	357.451	1.047	40	70		FDIBHN
COc1ccc(OC[C@@H](O)CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1	ZINC000217436754	568183849	/nfs/dbraw/zinc/18/38/49/568183849.db2.gz	SYUDRJAFDXATKU-BBWFWOEESA-N	0	3	370.449	1.716	40	70		FDIBHN
Cc1ccn2c(=O)cc(CN3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)nc2c1	ZINC000217560347	537455135	/nfs/dbraw/zinc/45/51/35/537455135.db2.gz	GMVQCIQHXPGFRJ-JKSUJKDBSA-N	0	3	362.433	1.784	40	70		FDIBHN
CCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000216810693	568142056	/nfs/dbraw/zinc/14/20/56/568142056.db2.gz	BRLCAAOOUHCRBA-UHFFFAOYSA-N	0	3	373.906	1.561	40	70		FDIBHN
COc1ccc(OC[C@H](O)CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1	ZINC000217436652	568183833	/nfs/dbraw/zinc/18/38/33/568183833.db2.gz	SYUDRJAFDXATKU-GVDBMIGSSA-N	0	3	370.449	1.716	40	70		FDIBHN
Cc1cccc2nc(CN3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)cc(=O)n12	ZINC000217565456	537455583	/nfs/dbraw/zinc/45/55/83/537455583.db2.gz	STGIABNFCMGRCU-JKSUJKDBSA-N	0	3	362.433	1.784	40	70		FDIBHN
Cc1ccc(N(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)c(C)c1	ZINC000216934364	537453108	/nfs/dbraw/zinc/45/31/08/537453108.db2.gz	UKPROSFXXGXVSM-UHFFFAOYSA-N	0	3	353.488	1.280	40	70		FDIBHN
CN(C)CCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C	ZINC000216891304	535890108	/nfs/dbraw/zinc/89/01/08/535890108.db2.gz	OZNWPMMBNXUWTK-UHFFFAOYSA-N	0	3	359.451	1.784	40	70		FDIBHN
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H]1CCCN(C)C1	ZINC000216915813	568153926	/nfs/dbraw/zinc/15/39/26/568153926.db2.gz	QGUPUCQGJHSXTI-ZDUSSCGKSA-N	0	3	369.487	1.662	40	70		FDIBHN
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H]1CCCN(C)C1	ZINC000216915782	568153806	/nfs/dbraw/zinc/15/38/06/568153806.db2.gz	QGUPUCQGJHSXTI-CYBMUJFWSA-N	0	3	369.487	1.662	40	70		FDIBHN
CN(C)S(=O)(=O)c1ccc(CCC(=O)NC2CCN(C)CC2)cc1	ZINC000216840367	521981556	/nfs/dbraw/zinc/98/15/56/521981556.db2.gz	PGKWUNQIXJMWEG-UHFFFAOYSA-N	0	3	353.488	1.080	40	70		FDIBHN
Cc1ccc(C(=O)NC2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1	ZINC000216942708	537451699	/nfs/dbraw/zinc/45/16/99/537451699.db2.gz	ACJQETPCNRDIBM-UHFFFAOYSA-N	0	3	365.499	1.604	40	70		FDIBHN
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCCN(C)C1	ZINC000216911352	568153402	/nfs/dbraw/zinc/15/34/02/568153402.db2.gz	JRYDNIYPOVTXJE-AWEZNQCLSA-N	0	3	351.472	1.168	40	70		FDIBHN
CCCNS(=O)(=O)c1ccc(CCC(=O)NC2CCN(C)CC2)cc1	ZINC000216840008	519980311	/nfs/dbraw/zinc/98/03/11/519980311.db2.gz	OVLYRUHZLITMOB-UHFFFAOYSA-N	0	3	367.515	1.518	40	70		FDIBHN