smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc(Br)cc1/C=N/c1ccc2c(c1)OC(F)(F)O2	ZINC000005769934	204224959	/nfs/dbraw/zinc/22/49/59/204224959.db2.gz	SHMGTFWXKDBYAN-CNHKJKLMSA-N	-1	3	356.122	4.227	10	30		FIEEHM
N/C(=N/[O-])c1ccc(Sc2cccc(Br)c2)cc1Cl	ZINC000104173629	206236624	/nfs/dbraw/zinc/23/66/24/206236624.db2.gz	BISDCPKECIFKRD-UHFFFAOYSA-N	-1	3	357.660	4.348	10	30		FIEEHM
COc1cc(/C(C)=N/[O-])ccc1OCc1ccccc1Br	ZINC000019809207	206326003	/nfs/dbraw/zinc/32/60/03/206326003.db2.gz	SDLJHXVCYKSTNU-WOJGMQOQSA-N	-1	3	350.212	4.235	10	30		FIEEHM
C=CCN1C(=O)/C(=C/c2ccccc2C)S/C1=N\c1cccc([O-])c1	ZINC000016904209	204644946	/nfs/dbraw/zinc/64/49/46/204644946.db2.gz	OWOYWQNTSZCZDI-RTPYTOBHSA-N	-1	3	350.443	4.491	10	30		FIEEHM
C=CCc1cccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1[O-]	ZINC000005631313	519141131	/nfs/dbraw/zinc/14/11/31/519141131.db2.gz	YTUCZKXESOQLPH-UFFVCSGVSA-N	-1	3	365.311	4.494	10	30		FIEEHM
CC(=O)N1c2ccc(/N=C/c3cc(Br)ccc3[O-])cc2C[C@H]1C	ZINC000005172009	207084512	/nfs/dbraw/zinc/08/45/12/207084512.db2.gz	PNZCXUIWGLJTTH-JZOCJUILSA-N	-1	3	373.250	4.203	10	30		FIEEHM
COc1cc(/C=N/[O-])cc(Cl)c1OCc1cccc(Br)c1	ZINC000253562719	521997786	/nfs/dbraw/zinc/99/77/86/521997786.db2.gz	DPGGERABPZTFQG-QGMBQPNBSA-N	-1	3	370.630	4.498	10	30		FIEEHM
CCCOC(=O)c1ccc(/N=C\c2cc(Br)ccc2[O-])cc1	ZINC000100209134	520221967	/nfs/dbraw/zinc/22/19/67/520221967.db2.gz	PNEOCDJCBMWXOM-ODLFYWEKSA-N	-1	3	362.223	4.472	10	30		FIEEHM
[O-][C@](F)(c1cc(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F	ZINC000100010828	209207217	/nfs/dbraw/zinc/20/72/17/209207217.db2.gz	ZSPUYSFHAKMLBP-CYBMUJFWSA-N	-1	3	364.138	4.101	10	30		FIEEHM
Cn1ncc(/N=C/c2c([O-])ccc3ccccc32)c1C(=O)Nc1ccccc1	ZINC000001501887	571123424	/nfs/dbraw/zinc/12/34/24/571123424.db2.gz	KGXVLOOPWOXNFB-YDZHTSKRSA-N	-1	3	370.412	4.282	10	30		FIEEHM
O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1	ZINC000100439893	222244059	/nfs/dbraw/zinc/24/40/59/222244059.db2.gz	UQBGJFLODCDKNC-GOBJLOIFSA-N	-1	3	355.393	4.313	10	30		FIEEHM
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1	ZINC000100439893	222244064	/nfs/dbraw/zinc/24/40/64/222244064.db2.gz	UQBGJFLODCDKNC-GOBJLOIFSA-N	-1	3	355.393	4.313	10	30		FIEEHM
COc1cc([C@@H](C#N)NC2CCCCCC2)cc(Br)c1[O-]	ZINC000037970143	211327312	/nfs/dbraw/zinc/32/73/12/211327312.db2.gz	JWRWJKVPNWWCFM-CQSZACIVSA-N	-1	3	353.260	4.040	10	30		FIEEHM
Cc1ccc(/N=C2\S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2C)c([O-])c1	ZINC000016936133	211174222	/nfs/dbraw/zinc/17/42/22/211174222.db2.gz	IJPWVWPZNIFSGJ-RTPYTOBHSA-N	-1	3	367.474	4.000	10	30		FIEEHM
CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N\c1cccc([O-])c1	ZINC000016935820	211173585	/nfs/dbraw/zinc/17/35/85/211173585.db2.gz	IQARIIIBZJRHDO-RTPYTOBHSA-N	-1	3	367.474	4.082	10	30		FIEEHM
CCCOc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3[O-])NC2=O)cc1	ZINC000016937247	211173481	/nfs/dbraw/zinc/17/34/81/211173481.db2.gz	SIBLTCFFHXEOJH-PDGQHHTCSA-N	-1	3	368.458	4.381	10	30		FIEEHM
C=CCc1cccc(C=NNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1[O-]	ZINC000005631312	570632089	/nfs/dbraw/zinc/63/20/89/570632089.db2.gz	GFWPGJASCVVRJP-UFFVCSGVSA-N	-1	3	365.311	4.494	10	30		FIEEHM
O=C(/C=C/c1ccc([O-])cc1)c1cccc(C(=O)/C=C/c2ccc(O)cc2)n1	ZINC000034044977	571311365	/nfs/dbraw/zinc/31/13/65/571311365.db2.gz	GCSVDBMPVNYUKN-VOMDNODZSA-N	-1	3	371.392	4.285	10	30		FIEEHM
COc1cc(/C(C)=N/[O-])ccc1OCc1ccc(Br)cc1	ZINC000019809221	220298344	/nfs/dbraw/zinc/29/83/44/220298344.db2.gz	NWCFJPYXFIMYBV-WOJGMQOQSA-N	-1	3	350.212	4.235	10	30		FIEEHM
O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1	ZINC000100439886	222244336	/nfs/dbraw/zinc/24/43/36/222244336.db2.gz	UQBGJFLODCDKNC-LCPUNJGISA-N	-1	3	355.393	4.313	10	30		FIEEHM
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccccc1	ZINC000100439886	222244339	/nfs/dbraw/zinc/24/43/39/222244339.db2.gz	UQBGJFLODCDKNC-LCPUNJGISA-N	-1	3	355.393	4.313	10	30		FIEEHM
N#Cc1c([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCCC2	ZINC000001932426	210375433	/nfs/dbraw/zinc/37/54/33/210375433.db2.gz	VRXGZOFOHCDRSG-UHFFFAOYSA-N	-1	3	361.810	4.312	10	30		FIEEHM
C=CCNc1ncnc([N-]c2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-]	ZINC000040583169	210044764	/nfs/dbraw/zinc/04/47/64/210044764.db2.gz	BENLVTFSHQOTFI-UHFFFAOYSA-N	-1	3	373.722	4.399	10	30		FIEEHM
COc1ccc(C=[NH+][N-]c2nnc(SCc3ccccc3Cl)[n-]2)cc1	ZINC000006127683	523449043	/nfs/dbraw/zinc/44/90/43/523449043.db2.gz	YDXCMDKIYXJLEK-VXLYETTFSA-N	-1	3	373.869	4.205	10	30		FIEEHM
COc1ccc(C=NNc2nnc(SCc3ccccc3Cl)[n-]2)cc1	ZINC000006127683	523449055	/nfs/dbraw/zinc/44/90/55/523449055.db2.gz	YDXCMDKIYXJLEK-VXLYETTFSA-N	-1	3	373.869	4.205	10	30		FIEEHM
CC(=O)N1c2ccc(/N=C/c3cc(Br)ccc3[O-])cc2C[C@@H]1C	ZINC000005172012	570627974	/nfs/dbraw/zinc/62/79/74/570627974.db2.gz	PNZCXUIWGLJTTH-KKBVUKDESA-N	-1	3	373.250	4.203	10	30		FIEEHM
[O-]c1ccc2ccccc2c1/C=N\n1cnnc1SCc1ccccc1	ZINC000103739724	526354943	/nfs/dbraw/zinc/35/49/43/526354943.db2.gz	KDWGOOLPCHTICQ-UUYOSTAYSA-N	-1	3	360.442	4.311	10	30		FIEEHM
C=CCN1C(=O)/C(=C/c2cccc(OC)c2)S/C1=N\c1cccc([O-])c1	ZINC000016934659	211173072	/nfs/dbraw/zinc/17/30/72/211173072.db2.gz	BIKXQLMUGGAKGM-RTPYTOBHSA-N	-1	3	366.442	4.191	10	30		FIEEHM
C=CCN1C(=O)/C(=C/c2ccccc2OC)S/C1=N\c1cccc([O-])c1	ZINC000016934656	211173284	/nfs/dbraw/zinc/17/32/84/211173284.db2.gz	UTZJDHQDEOASPJ-RTPYTOBHSA-N	-1	3	366.442	4.191	10	30		FIEEHM
C=CCN1C(=O)/C(=C/c2cccc(F)c2)S/C1=N\c1cccc([O-])c1	ZINC000016934698	211172898	/nfs/dbraw/zinc/17/28/98/211172898.db2.gz	AUENAHVEEUTKCF-WQZDFCHPSA-N	-1	3	354.406	4.321	10	30		FIEEHM
CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc([O-])cc1	ZINC000101763876	222284660	/nfs/dbraw/zinc/28/46/60/222284660.db2.gz	CUJPQNPENLMKJE-NMWGTECJSA-N	-1	3	362.429	4.454	10	30		FIEEHM
CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1cccc([O-])c1	ZINC000016935842	220197151	/nfs/dbraw/zinc/19/71/51/220197151.db2.gz	WBRVQXQPDUVUIK-KQSCOELBSA-N	-1	3	363.442	4.497	10	30		FIEEHM
Cc1ccc(/N=C2\S/C(=C\C=C\c3ccccc3)C(=O)N2C)c([O-])c1	ZINC000016904411	220197273	/nfs/dbraw/zinc/19/72/73/220197273.db2.gz	MIICCQIAALUPGI-WJJGGCMESA-N	-1	3	350.443	4.491	10	30		FIEEHM
C/C(=N/[O-])c1ccc(OCCOc2ccc(Br)cc2)cc1	ZINC000005175255	570629125	/nfs/dbraw/zinc/62/91/25/570629125.db2.gz	OKRHJXGHWGINBW-PDGQHHTCSA-N	-1	3	350.212	4.105	10	30		FIEEHM
O=[N+]([O-])c1cc(/N=C/c2cc(Br)ccc2[O-])ccc1Cl	ZINC000001234439	219391749	/nfs/dbraw/zinc/39/17/49/219391749.db2.gz	WLWQKTNTDGOVNU-FRKPEAEDSA-N	-1	3	355.575	4.467	10	30		FIEEHM
C=CCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N\c1cccc([O-])c1	ZINC000016934701	220196521	/nfs/dbraw/zinc/19/65/21/220196521.db2.gz	KDAPHKNMEYEKCL-WQZDFCHPSA-N	-1	3	354.406	4.321	10	30		FIEEHM
C=CCN1C(=O)/C(=C/c2ccccc2F)S/C1=N\c1cccc([O-])c1	ZINC000016934695	220197137	/nfs/dbraw/zinc/19/71/37/220197137.db2.gz	QQUITUHTWSAPKG-WQZDFCHPSA-N	-1	3	354.406	4.321	10	30		FIEEHM
O=[N+]([O-])c1cc(/N=C\c2cc(Br)ccc2[O-])ccc1Cl	ZINC000100489782	222245186	/nfs/dbraw/zinc/24/51/86/222245186.db2.gz	WLWQKTNTDGOVNU-APSNUPSMSA-N	-1	3	355.575	4.467	10	30		FIEEHM
Cc1ccc(CSc2nnc([N-][NH+]=Cc3c[nH]c4ccccc34)[n-]2)cc1	ZINC000006275194	524649704	/nfs/dbraw/zinc/64/97/04/524649704.db2.gz	LLYQZMJKAWCBIG-SRZZPIQSSA-N	-1	3	362.462	4.333	10	30		FIEEHM
Cc1ccc(CSc2nnc(NN=Cc3c[nH]c4ccccc34)[n-]2)cc1	ZINC000006275194	524649709	/nfs/dbraw/zinc/64/97/09/524649709.db2.gz	LLYQZMJKAWCBIG-SRZZPIQSSA-N	-1	3	362.462	4.333	10	30		FIEEHM