smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000408931182	556894803	/nfs/dbraw/zinc/89/48/03/556894803.db2.gz	ICJBXGXRYDAEDZ-LICLKQGHSA-N	-1	2	445.387	2.571	40	10		IFCBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1	ZINC000408941826	556896431	/nfs/dbraw/zinc/89/64/31/556896431.db2.gz	PWBCTJVZSSMBSZ-KPKJPENVSA-N	-1	2	431.198	2.519	40	10		IFCBLM
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409244927	557027128	/nfs/dbraw/zinc/02/71/28/557027128.db2.gz	KQOMUSUXEZINJV-YBFXNURJSA-N	-1	2	430.420	2.854	40	10		IFCBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3O[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000409246189	557027943	/nfs/dbraw/zinc/02/79/43/557027943.db2.gz	GEHPADQAWBMKJM-LVLBFHFTSA-N	-1	2	438.436	2.776	40	10		IFCBLM
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Br	ZINC000408936389	556895710	/nfs/dbraw/zinc/89/57/10/556895710.db2.gz	FVSCFQMZVJDUFU-MDWZMJQESA-N	-1	2	445.225	2.822	40	10		IFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)[O-]	ZINC000409044299	556930035	/nfs/dbraw/zinc/93/00/35/556930035.db2.gz	BRCJXNCWEHHTFD-VGOFMYFVSA-N	-1	2	444.827	2.787	40	10		IFCBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000409102966	556956635	/nfs/dbraw/zinc/95/66/35/556956635.db2.gz	UYACBLHEBWAKOV-CPNJWEJPSA-N	-1	2	431.404	2.851	40	10		IFCBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C2=O)cc1	ZINC000409188690	556988647	/nfs/dbraw/zinc/98/86/47/556988647.db2.gz	JYGGUUXLUCMGTR-HTMJNSLASA-N	-1	2	433.420	2.962	40	10		IFCBLM
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)ccc21	ZINC000409191569	556991894	/nfs/dbraw/zinc/99/18/94/556991894.db2.gz	ZHYNWSLHNQTQIO-RGZVIEDOSA-N	-1	2	447.403	2.682	40	10		IFCBLM
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409252452	557037236	/nfs/dbraw/zinc/03/72/36/557037236.db2.gz	XVTHOTQCGXFCEG-YBFXNURJSA-N	-1	2	430.420	2.854	40	10		IFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OC	ZINC000408946713	556898332	/nfs/dbraw/zinc/89/83/32/556898332.db2.gz	ZDIFJJYOZSTSEB-NTUHNPAUSA-N	-1	2	430.800	2.722	40	10		IFCBLM
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000408985512	556909321	/nfs/dbraw/zinc/90/93/21/556909321.db2.gz	XFDAWZNJUQZOHJ-BOPFTXTBSA-N	-1	2	438.436	2.778	40	10		IFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409019925	556924350	/nfs/dbraw/zinc/92/43/50/556924350.db2.gz	KWWIVFYWWAWNPX-BTAWCLGRSA-N	-1	2	444.827	2.867	40	10		IFCBLM
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1	ZINC000409099927	556954946	/nfs/dbraw/zinc/95/49/46/556954946.db2.gz	RTWIYRMNMRYZOK-LICLKQGHSA-N	-1	2	445.387	2.571	40	10		IFCBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3O[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000409246190	557028001	/nfs/dbraw/zinc/02/80/01/557028001.db2.gz	GEHPADQAWBMKJM-VLURKWGBSA-N	-1	2	438.436	2.776	40	10		IFCBLM
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(OC)c1OC	ZINC000016195163	557470810	/nfs/dbraw/zinc/47/08/10/557470810.db2.gz	SDMKAWFVRAZODA-RIYZIHGNSA-N	-1	2	426.381	2.917	40	10		IFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=CNC(=O)Nc3ccc(O)c(C(=O)[O-])c3)C2=O)c(C)c1	ZINC000016284810	556597490	/nfs/dbraw/zinc/59/74/90/556597490.db2.gz	HAZSRQRHQJHQKZ-ZROIWOOFSA-N	-1	2	438.396	2.836	40	10		IFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408845846	556868849	/nfs/dbraw/zinc/86/88/49/556868849.db2.gz	LRTSXCYCGGFYEB-AWNIVKPZSA-N	-1	2	448.790	2.618	40	10		IFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409015037	556920588	/nfs/dbraw/zinc/92/05/88/556920588.db2.gz	RAOWZHJRLCQQOP-FBJMNJBLSA-N	-1	2	438.436	2.830	40	10		IFCBLM
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409050121	556932418	/nfs/dbraw/zinc/93/24/18/556932418.db2.gz	ZBIYQARVKIQNKI-RIYZIHGNSA-N	-1	2	444.827	2.869	40	10		IFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409228475	557015331	/nfs/dbraw/zinc/01/53/31/557015331.db2.gz	ANZWHZZLQASSSF-LUYJPIOASA-N	-1	2	438.436	2.830	40	10		IFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409232105	557024074	/nfs/dbraw/zinc/02/40/74/557024074.db2.gz	GZTCYCGMDPFRKD-BTAWCLGRSA-N	-1	2	444.827	2.867	40	10		IFCBLM
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000408859139	556872981	/nfs/dbraw/zinc/87/29/81/556872981.db2.gz	WTHAZKIYENQURZ-LICLKQGHSA-N	-1	2	438.436	2.832	40	10		IFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409019927	556924336	/nfs/dbraw/zinc/92/43/36/556924336.db2.gz	KWWIVFYWWAWNPX-ZRRZQRFHSA-N	-1	2	444.827	2.867	40	10		IFCBLM
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)ccc21	ZINC000409191568	556991887	/nfs/dbraw/zinc/99/18/87/556991887.db2.gz	ZHYNWSLHNQTQIO-GFQQVXNGSA-N	-1	2	447.403	2.682	40	10		IFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409243974	557033807	/nfs/dbraw/zinc/03/38/07/557033807.db2.gz	ZXSBRMMZNAIUHM-SWEABUAFSA-N	-1	2	438.436	2.830	40	10		IFCBLM
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409393288	557097588	/nfs/dbraw/zinc/09/75/88/557097588.db2.gz	PQNOHSKENOMHIN-XDHOZWIPSA-N	-1	2	430.420	2.854	40	10		IFCBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])c(OC)c3)C2=O)cc1	ZINC000409009625	556917370	/nfs/dbraw/zinc/91/73/70/556917370.db2.gz	HADLZXDWNGRNAK-VVBXCHJUSA-N	-1	2	438.436	2.776	40	10		IFCBLM
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cccc(OC)c2O[C@@H](C)C(=O)[O-])C1=O	ZINC000409246290	557027997	/nfs/dbraw/zinc/02/79/97/557027997.db2.gz	AMGWPMZIOCBVLK-HKJJFUAXSA-N	-1	2	438.436	2.776	40	10		IFCBLM
C[C@H](Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000108101606	569260799	/nfs/dbraw/zinc/26/07/99/569260799.db2.gz	HPNVYRJFURROMY-WULZRQGASA-N	-1	2	431.788	2.562	40	10		IFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409226927	557014422	/nfs/dbraw/zinc/01/44/22/557014422.db2.gz	NYXFCFLTQSNTDN-MPMPPSQCSA-N	-1	2	438.436	2.830	40	10		IFCBLM
C[C@@H](Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000033657005	569259606	/nfs/dbraw/zinc/25/96/06/569259606.db2.gz	ONQBTMYFMIUGIY-QVASGMJFSA-N	-1	2	431.788	2.562	40	10		IFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409015039	556920473	/nfs/dbraw/zinc/92/04/73/556920473.db2.gz	RAOWZHJRLCQQOP-NGWPFTMJSA-N	-1	2	438.436	2.830	40	10		IFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409232109	557024020	/nfs/dbraw/zinc/02/40/20/557024020.db2.gz	GZTCYCGMDPFRKD-ZRRZQRFHSA-N	-1	2	444.827	2.867	40	10		IFCBLM
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cccc(OC)c2O[C@H](C)C(=O)[O-])C1=O	ZINC000409246291	557028006	/nfs/dbraw/zinc/02/80/06/557028006.db2.gz	AMGWPMZIOCBVLK-MLDYKZIASA-N	-1	2	438.436	2.776	40	10		IFCBLM
C[C@@H](Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000108101612	569260831	/nfs/dbraw/zinc/26/08/31/569260831.db2.gz	HPNVYRJFURROMY-DOQDJBIESA-N	-1	2	431.788	2.562	40	10		IFCBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C2=O)cc1	ZINC000409188691	556988585	/nfs/dbraw/zinc/98/85/85/556988585.db2.gz	JYGGUUXLUCMGTR-RNEAKCBISA-N	-1	2	433.420	2.962	40	10		IFCBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])c(OC)c3)C2=O)cc1	ZINC000409009624	556917347	/nfs/dbraw/zinc/91/73/47/556917347.db2.gz	HADLZXDWNGRNAK-HNEYUBDGSA-N	-1	2	438.436	2.776	40	10		IFCBLM
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1C(=O)[O-]	ZINC000409044361	556930041	/nfs/dbraw/zinc/93/00/41/556930041.db2.gz	BOFHLCMBLFYLBS-ZROIWOOFSA-N	-1	2	445.225	2.822	40	10		IFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)[O-]	ZINC000409046799	556931294	/nfs/dbraw/zinc/93/12/94/556931294.db2.gz	MHBKTFPGHJOWFO-MDWZMJQESA-N	-1	2	444.827	2.787	40	10		IFCBLM
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1O	ZINC000408938598	556897199	/nfs/dbraw/zinc/89/71/99/556897199.db2.gz	LDTCUWUGOYHZBI-NTUHNPAUSA-N	-1	2	430.800	2.809	40	10		IFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409012725	556918727	/nfs/dbraw/zinc/91/87/27/556918727.db2.gz	RNUJZOYJUHBORI-OXFWXOROSA-N	-1	2	444.827	2.867	40	10		IFCBLM
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCC(=O)[O-]	ZINC000409058109	556935195	/nfs/dbraw/zinc/93/51/95/556935195.db2.gz	RGUDNMLQVJYIFD-LCYFTJDESA-N	-1	2	444.827	2.869	40	10		IFCBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000408816480	556863708	/nfs/dbraw/zinc/86/37/08/556863708.db2.gz	JRYRSLKTLXCKDJ-OQLLNIDSSA-N	-1	2	444.827	2.869	40	10		IFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408908825	556887067	/nfs/dbraw/zinc/88/70/67/556887067.db2.gz	DIVDRPKPUQFGLD-WLRTZDKTSA-N	-1	2	448.790	2.618	40	10		IFCBLM
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000408960666	556899473	/nfs/dbraw/zinc/89/94/73/556899473.db2.gz	HSFWDLYWOMSQBD-XYOKQWHBSA-N	-1	2	432.186	2.729	40	10		IFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409226940	557014277	/nfs/dbraw/zinc/01/42/77/557014277.db2.gz	NYXFCFLTQSNTDN-SWEABUAFSA-N	-1	2	438.436	2.830	40	10		IFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409228473	557015244	/nfs/dbraw/zinc/01/52/44/557015244.db2.gz	ANZWHZZLQASSSF-DSQDWWTGSA-N	-1	2	438.436	2.830	40	10		IFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409246712	557028284	/nfs/dbraw/zinc/02/82/84/557028284.db2.gz	AQYLPEYRGITJJZ-KBVGCWLLSA-N	-1	2	444.827	2.867	40	10		IFCBLM
C[C@H](Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000033657003	569259684	/nfs/dbraw/zinc/25/96/84/569259684.db2.gz	ONQBTMYFMIUGIY-BNDQCTAISA-N	-1	2	431.788	2.562	40	10		IFCBLM
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC000408741845	556215309	/nfs/dbraw/zinc/21/53/09/556215309.db2.gz	SIWICMFXBOPVRR-IZZDOVSWSA-N	-1	2	432.186	2.729	40	10		IFCBLM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O	ZINC000408902395	556885251	/nfs/dbraw/zinc/88/52/51/556885251.db2.gz	IKWTVAYTGAJLLR-MDWZMJQESA-N	-1	2	432.186	2.729	40	10		IFCBLM
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000408902395	556885253	/nfs/dbraw/zinc/88/52/53/556885253.db2.gz	IKWTVAYTGAJLLR-MDWZMJQESA-N	-1	2	432.186	2.729	40	10		IFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409012726	556918739	/nfs/dbraw/zinc/91/87/39/556918739.db2.gz	RNUJZOYJUHBORI-UXYFDLPDSA-N	-1	2	444.827	2.867	40	10		IFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409246711	557028174	/nfs/dbraw/zinc/02/81/74/557028174.db2.gz	AQYLPEYRGITJJZ-HGLKBHAMSA-N	-1	2	444.827	2.867	40	10		IFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409243973	557033760	/nfs/dbraw/zinc/03/37/60/557033760.db2.gz	ZXSBRMMZNAIUHM-MPMPPSQCSA-N	-1	2	438.436	2.830	40	10		IFCBLM
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409393868	557097882	/nfs/dbraw/zinc/09/78/82/557097882.db2.gz	STTSNYZSOZKZDA-XDHOZWIPSA-N	-1	2	430.420	2.854	40	10		IFCBLM
COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000059417343	557822862	/nfs/dbraw/zinc/82/28/62/557822862.db2.gz	PWCCIQSPZFOMCZ-NTEUORMPSA-N	-1	2	445.225	2.822	40	10		IFCBLM