smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CC(=O)NN=Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1	ZINC000917023843	717194518	/nfs/dbraw/zinc/19/45/18/717194518.db2.gz	LPVFWVLHBDNXFW-UHFFFAOYSA-O	1	0	410.929	3.408	20	50		HGGDRO
Cc1ccc(Cn2cc(C=NNC(=O)C[N+](C)(C)C)c(-c3ccc(C)cc3)n2)cc1	ZINC000917208616	717194526	/nfs/dbraw/zinc/19/45/26/717194526.db2.gz	RKGHJMHIDUASSJ-UHFFFAOYSA-O	1	0	404.538	3.372	20	50		HGGDRO
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C[N+](C)(C)C)cc1	ZINC000916270587	717192978	/nfs/dbraw/zinc/19/29/78/717192978.db2.gz	JQCWYSNCJLEZDT-UHFFFAOYSA-O	1	0	420.537	3.483	20	50		HGGDRO
Cc1ccc(N=C2N=C(Cl)/C(=C/NNC(=O)C[N+](C)(C)C)S2)cc1Cl	ZINC000916541090	717194137	/nfs/dbraw/zinc/19/41/37/717194137.db2.gz	GTNGVQWHZFRZRP-UHFFFAOYSA-O	1	0	401.343	3.188	20	50		HGGDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(NC(=O)CCl)cn3)C[C@@H]21	ZINC001165028304	721828873	/nfs/dbraw/zinc/82/88/73/721828873.db2.gz	VDWQWRMJAJPCIM-FFZOFVMBSA-N	1	0	413.953	3.391	20	50		HGGDRO
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNC(=O)C[N+](C)(C)C	ZINC000916270630	717193280	/nfs/dbraw/zinc/19/32/80/717193280.db2.gz	LYFAUMGVLCADLH-UHFFFAOYSA-O	1	0	410.473	3.268	20	50		HGGDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3NC(=O)CCl)C[C@H]21	ZINC001165024591	721822666	/nfs/dbraw/zinc/82/26/66/721822666.db2.gz	KRICPPHQJUROGI-ILZDJORESA-N	1	0	413.953	3.391	20	50		HGGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1sc(-c2ccc(Br)cc2)nc1C	ZINC000814694262	717191207	/nfs/dbraw/zinc/19/12/07/717191207.db2.gz	CFAKJRRLGACLMD-UHFFFAOYSA-O	1	0	410.361	3.427	20	50		HGGDRO
C[N+](C)(C)CC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	ZINC000916271160	717193935	/nfs/dbraw/zinc/19/39/35/717193935.db2.gz	ZZVRXXOYJZYTRK-UHFFFAOYSA-O	1	0	402.478	3.442	20	50		HGGDRO
C[N+](C)(C)CC(=O)NN=Cc1ccc(OCc2ccccc2)c(Br)c1	ZINC000916271124	717194224	/nfs/dbraw/zinc/19/42/24/717194224.db2.gz	ZAHLHDHDCNCNJX-UHFFFAOYSA-O	1	0	405.316	3.184	20	50		HGGDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3NC(=O)CCl)C[C@@H]21	ZINC001165024597	721822535	/nfs/dbraw/zinc/82/25/35/721822535.db2.gz	KRICPPHQJUROGI-XKGZKEIXSA-N	1	0	413.953	3.391	20	50		HGGDRO
Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C=NNC(=O)C[N+](C)(C)C	ZINC000794457297	717190370	/nfs/dbraw/zinc/19/03/70/717190370.db2.gz	RATYISNGEQAGEG-UHFFFAOYSA-O	1	0	410.473	3.268	20	50		HGGDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3NC(=O)CCl)C[C@@H]21	ZINC001165024594	721822594	/nfs/dbraw/zinc/82/25/94/721822594.db2.gz	KRICPPHQJUROGI-IMFGXOCKSA-N	1	0	413.953	3.391	20	50		HGGDRO
COc1cc(C=NNC(=O)C[N+](C)(C)C)ccc1OCc1cccc(C(F)(F)F)c1	ZINC000916270600	717192795	/nfs/dbraw/zinc/19/27/95/717192795.db2.gz	KFAYQZWOZWEDEK-UHFFFAOYSA-O	1	0	424.443	3.449	20	50		HGGDRO
C[N+](C)(C)CC(=O)NN=Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1	ZINC000916541318	717194453	/nfs/dbraw/zinc/19/44/53/717194453.db2.gz	OZPHNIUCRHQDHK-UHFFFAOYSA-O	1	0	410.929	3.408	20	50		HGGDRO
O=C(CCl)Nc1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2	ZINC001164696685	719897896	/nfs/dbraw/zinc/89/78/96/719897896.db2.gz	HIOCHNKDAPRYHE-UHFFFAOYSA-N	1	0	420.966	3.192	20	50		HGGDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(NC(=O)CCl)cn3)C[C@@H]21	ZINC001165028306	721828837	/nfs/dbraw/zinc/82/88/37/721828837.db2.gz	VDWQWRMJAJPCIM-LSTHTHJFSA-N	1	0	413.953	3.391	20	50		HGGDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(NC(=O)CCl)cn3)C[C@H]21	ZINC001165028307	721828956	/nfs/dbraw/zinc/82/89/56/721828956.db2.gz	VDWQWRMJAJPCIM-NSISKUIASA-N	1	0	413.953	3.391	20	50		HGGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1sc(-c2ccccc2Br)nc1C	ZINC000814694782	717190859	/nfs/dbraw/zinc/19/08/59/717190859.db2.gz	YIDJVDBMZJJODK-UHFFFAOYSA-O	1	0	410.361	3.427	20	50		HGGDRO
O=C(CCl)Nc1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1	ZINC001164705918	719904798	/nfs/dbraw/zinc/90/47/98/719904798.db2.gz	FTCFMUKFWVUWLW-UHFFFAOYSA-N	1	0	420.966	3.192	20	50		HGGDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3NC(=O)CCl)C[C@H]21	ZINC001165024599	721822578	/nfs/dbraw/zinc/82/25/78/721822578.db2.gz	KRICPPHQJUROGI-YVWKXTFCSA-N	1	0	413.953	3.391	20	50		HGGDRO
C[N+](C)(C)CC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1	ZINC000916270399	717193374	/nfs/dbraw/zinc/19/33/74/717193374.db2.gz	CKIOLFDDODYDSQ-UHFFFAOYSA-O	1	0	405.316	3.184	20	50		HGGDRO
CCc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)C[N+](C)(C)C)cc1	ZINC000916540964	717194101	/nfs/dbraw/zinc/19/41/01/717194101.db2.gz	AVWWNZMPCPWGFX-UHFFFAOYSA-O	1	0	404.538	3.317	20	50		HGGDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(NC(=O)CCl)cn3)C[C@H]21	ZINC001165028308	721828740	/nfs/dbraw/zinc/82/87/40/721828740.db2.gz	VDWQWRMJAJPCIM-PWIZWCRZSA-N	1	0	413.953	3.391	20	50		HGGDRO
C[N+](C)(C)CC(=O)NN=C(Cc1ccccc1F)c1ccccc1Br	ZINC000794457767	717190398	/nfs/dbraw/zinc/19/03/98/717190398.db2.gz	VLDFZZNDEQJFNZ-UHFFFAOYSA-O	1	0	407.307	3.357	20	50		HGGDRO
Cc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)C[N+](C)(C)C)cc1C	ZINC000916541119	717193845	/nfs/dbraw/zinc/19/38/45/717193845.db2.gz	GXZGGSRXVNKDNT-UHFFFAOYSA-O	1	0	404.538	3.372	20	50		HGGDRO