smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCOc1c(OCCCO[P@](=O)([O-])O)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O	ZINC000003920366	561685655	/nfs/dbraw/zinc/68/56/55/561685655.db2.gz	KLGGTJSXVJUBGE-VXKWHMMOSA-N	-1	2	646.648	4.335	1	0		KIAFLM
CCCOc1c(OCCCO[P@@](=O)([O-])O)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O	ZINC000003920366	561685653	/nfs/dbraw/zinc/68/56/53/561685653.db2.gz	KLGGTJSXVJUBGE-VXKWHMMOSA-N	-1	2	646.648	4.335	1	0		KIAFLM
CC(=O)N[C@@H](Cc1ccc(C(F)(F)[P@](=O)([O-])O)cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O	ZINC000003964430	561691443	/nfs/dbraw/zinc/69/14/43/561691443.db2.gz	LVZDQVATAQEMCX-NSOVKSMOSA-N	-1	2	613.598	4.325	1	0	in-vivo	KIAFLM
CC(=O)N[C@@H](Cc1ccc(C(F)(F)[P@@](=O)([O-])O)cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O	ZINC000003964430	561691442	/nfs/dbraw/zinc/69/14/42/561691442.db2.gz	LVZDQVATAQEMCX-NSOVKSMOSA-N	-1	2	613.598	4.325	1	0	in-vivo	KIAFLM
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@H]1CSCCN(CCCC2CCCCC2)C1=O	ZINC000004425925	561694964	/nfs/dbraw/zinc/69/49/64/561694964.db2.gz	KAQRGBZJVHHQQT-ZEQRLZLVSA-N	-1	2	613.714	4.015	1	0		KIAFLM
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@H]1CSCCN(CCCC2CCCCC2)C1=O	ZINC000004425925	561694962	/nfs/dbraw/zinc/69/49/62/561694962.db2.gz	KAQRGBZJVHHQQT-ZEQRLZLVSA-N	-1	2	613.714	4.015	1	0		KIAFLM
CC(C)(C)[C@H](NC(=O)OCCO[P@](=O)([O-])O)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1	ZINC000006718134	561703104	/nfs/dbraw/zinc/70/31/04/561703104.db2.gz	IJRNEIZWDUWVAW-FCHUYYIVSA-N	-1	2	538.484	4.182	1	0		KIAFLM
CC(C)(C)[C@H](NC(=O)OCCO[P@@](=O)([O-])O)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1	ZINC000006718134	561703102	/nfs/dbraw/zinc/70/31/02/561703102.db2.gz	IJRNEIZWDUWVAW-FCHUYYIVSA-N	-1	2	538.484	4.182	1	0		KIAFLM
Cc1ccc(-c2ccc(CN3CCCC[C@H](NC(=O)c4ccc(O[P@](=O)([O-])O)cc4)C3=O)cc2)cc1	ZINC000013441009	561712599	/nfs/dbraw/zinc/71/25/99/561712599.db2.gz	DRGDQAGNMHALQY-VWLOTQADSA-N	-1	2	508.511	4.445	1	0		KIAFLM
Cc1ccc(-c2ccc(CN3CCCC[C@H](NC(=O)c4ccc(O[P@@](=O)([O-])O)cc4)C3=O)cc2)cc1	ZINC000013441009	561712597	/nfs/dbraw/zinc/71/25/97/561712597.db2.gz	DRGDQAGNMHALQY-VWLOTQADSA-N	-1	2	508.511	4.445	1	0		KIAFLM
COc1ccc(CC[C@@H]([NH2+][C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)[O-])[P@](=O)([O-])O)cc1OC	ZINC000013805039	561731299	/nfs/dbraw/zinc/73/12/99/561731299.db2.gz	ILIMJHCKHMQEFX-CPJSRVTESA-N	-1	2	513.483	4.325	1	0		KIAFLM
COc1ccc(CC[C@@H]([NH2+][C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)[O-])[P@@](=O)([O-])O)cc1OC	ZINC000013805039	561731297	/nfs/dbraw/zinc/73/12/97/561731297.db2.gz	ILIMJHCKHMQEFX-CPJSRVTESA-N	-1	2	513.483	4.325	1	0		KIAFLM
COc1ccc(CC[C@H]([NH2+][C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)[O-])[P@](=O)([O-])O)cc1OC	ZINC000013805040	561731387	/nfs/dbraw/zinc/73/13/87/561731387.db2.gz	ILIMJHCKHMQEFX-NBGIEHNGSA-N	-1	2	513.483	4.325	1	0		KIAFLM
COc1ccc(CC[C@H]([NH2+][C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)[O-])[P@@](=O)([O-])O)cc1OC	ZINC000013805040	561731386	/nfs/dbraw/zinc/73/13/86/561731386.db2.gz	ILIMJHCKHMQEFX-NBGIEHNGSA-N	-1	2	513.483	4.325	1	0		KIAFLM
O=[P@]([O-])(O)[C@@H](Cc1cccc2cccnc21)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1	ZINC000026006048	561765548	/nfs/dbraw/zinc/76/55/48/561765548.db2.gz	RZMPSTCSWYMNIQ-ZEQRLZLVSA-N	-1	2	500.499	4.035	1	0		KIAFLM
O=[P@@]([O-])(O)[C@@H](Cc1cccc2cccnc21)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1	ZINC000026006048	561765546	/nfs/dbraw/zinc/76/55/46/561765546.db2.gz	RZMPSTCSWYMNIQ-ZEQRLZLVSA-N	-1	2	500.499	4.035	1	0		KIAFLM
O=[P@]([O-])(O)[C@H](Cc1cccc2cccnc21)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1	ZINC000026006053	561765616	/nfs/dbraw/zinc/76/56/16/561765616.db2.gz	RZMPSTCSWYMNIQ-BJKOFHAPSA-N	-1	2	500.499	4.035	1	0		KIAFLM
O=[P@@]([O-])(O)[C@H](Cc1cccc2cccnc21)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1	ZINC000026006053	561765615	/nfs/dbraw/zinc/76/56/15/561765615.db2.gz	RZMPSTCSWYMNIQ-BJKOFHAPSA-N	-1	2	500.499	4.035	1	0		KIAFLM
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H]1CSCCN(CCCC2CCCCC2)C1=O	ZINC000026250642	561774079	/nfs/dbraw/zinc/77/40/79/561774079.db2.gz	KAQRGBZJVHHQQT-BJKOFHAPSA-N	-1	2	613.714	4.015	1	0		KIAFLM
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H]1CSCCN(CCCC2CCCCC2)C1=O	ZINC000026250642	561774078	/nfs/dbraw/zinc/77/40/78/561774078.db2.gz	KAQRGBZJVHHQQT-BJKOFHAPSA-N	-1	2	613.714	4.015	1	0		KIAFLM
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1nc(CCCC(C)C)no1	ZINC000026395365	561786779	/nfs/dbraw/zinc/78/67/79/561786779.db2.gz	WSVMTCYZKIRZJP-UIOOFZCWSA-N	-1	2	597.609	4.149	1	0		KIAFLM
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1nc(CCCC(C)C)no1	ZINC000026395365	561786778	/nfs/dbraw/zinc/78/67/78/561786778.db2.gz	WSVMTCYZKIRZJP-UIOOFZCWSA-N	-1	2	597.609	4.149	1	0		KIAFLM
CCCCCCc1noc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(C)=O)n1	ZINC000026397499	561787367	/nfs/dbraw/zinc/78/73/67/561787367.db2.gz	PODOZVKOSGZSQE-UIOOFZCWSA-N	-1	2	597.609	4.293	1	0		KIAFLM
CCCCCCc1noc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(C)=O)n1	ZINC000026397499	561787366	/nfs/dbraw/zinc/78/73/66/561787366.db2.gz	PODOZVKOSGZSQE-UIOOFZCWSA-N	-1	2	597.609	4.293	1	0		KIAFLM
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1nc(CC2CCCCC2)no1	ZINC000026398550	561787774	/nfs/dbraw/zinc/78/77/74/561787774.db2.gz	ZXYZPBCEERTGTD-SVBPBHIXSA-N	-1	2	609.620	4.293	1	0		KIAFLM
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1nc(CC2CCCCC2)no1	ZINC000026398550	561787773	/nfs/dbraw/zinc/78/77/73/561787773.db2.gz	ZXYZPBCEERTGTD-SVBPBHIXSA-N	-1	2	609.620	4.293	1	0		KIAFLM
CCCCCCc1cnc([C@H](CC)NC(=O)[C@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(C)=O)s1	ZINC000026474544	561790741	/nfs/dbraw/zinc/79/07/41/561790741.db2.gz	PEIOFQRAYFTODH-SFTDATJTSA-N	-1	2	511.581	4.052	1	0		KIAFLM
CCCCCCc1cnc([C@H](CC)NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(C)=O)s1	ZINC000026474544	561790739	/nfs/dbraw/zinc/79/07/39/561790739.db2.gz	PEIOFQRAYFTODH-SFTDATJTSA-N	-1	2	511.581	4.052	1	0		KIAFLM
CC(=O)N[C@H](Cc1ccccc1)[P@](=O)([O-])C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026576000	561799710	/nfs/dbraw/zinc/79/97/10/561799710.db2.gz	MERYKHOGOUEPIA-JZRGNDHQSA-N	-1	2	602.672	4.295	1	0		KIAFLM
O=C([O-])CCCCCCCCC(=O)Nc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1	ZINC000026576615	561800468	/nfs/dbraw/zinc/80/04/68/561800468.db2.gz	LHZYCCPYUXSIBC-AQPNWFMJSA-N	-1	2	614.724	4.179	1	0		KIAFLM
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[P@@](=O)([O-])O	ZINC000026657105	561809577	/nfs/dbraw/zinc/80/95/77/561809577.db2.gz	MAVHEVQROSUZGT-VMPREFPWSA-N	-1	2	558.571	4.469	1	0		KIAFLM
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[P@](=O)([O-])O	ZINC000026657105	561809576	/nfs/dbraw/zinc/80/95/76/561809576.db2.gz	MAVHEVQROSUZGT-VMPREFPWSA-N	-1	2	558.571	4.469	1	0		KIAFLM
C[C@H](NC(=O)CCc1ccc(O[P@](=O)([O-])O)cc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1	ZINC000026820603	561820994	/nfs/dbraw/zinc/82/09/94/561820994.db2.gz	DGHKPNFJJGVFPD-LBPRGKRZSA-N	-1	2	500.275	4.249	1	0		KIAFLM
C[C@H](NC(=O)CCc1ccc(O[P@@](=O)([O-])O)cc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1	ZINC000026820603	561820992	/nfs/dbraw/zinc/82/09/92/561820992.db2.gz	DGHKPNFJJGVFPD-LBPRGKRZSA-N	-1	2	500.275	4.249	1	0		KIAFLM
C[C@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)CS(=O)(=O)C(C)(C)C)c1nc(Cc2ccc(C(F)(F)F)cc2)no1	ZINC000026823144	561821447	/nfs/dbraw/zinc/82/14/47/561821447.db2.gz	CITNZQIFUQASAB-QFBILLFUSA-N	-1	2	633.582	4.400	1	0		KIAFLM
C[C@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)CS(=O)(=O)C(C)(C)C)c1nc(Cc2ccc(C(F)(F)F)cc2)no1	ZINC000026823144	561821445	/nfs/dbraw/zinc/82/14/45/561821445.db2.gz	CITNZQIFUQASAB-QFBILLFUSA-N	-1	2	633.582	4.400	1	0		KIAFLM
COc1cccc(-c2cn(-c3ccc(C(=O)Nc4ccc(C(P(=O)([O-])O)[P@](=O)([O-])O)cc4)cc3)c3nc[nH+]c(N)c23)c1	ZINC000026827892	561822358	/nfs/dbraw/zinc/82/23/58/561822358.db2.gz	GUXOVNXSTZVJHP-UHFFFAOYSA-N	-1	2	609.472	4.285	1	0		KIAFLM
COc1cccc(-c2cn(-c3ccc(C(=O)Nc4ccc(C(P(=O)([O-])O)[P@@](=O)([O-])O)cc4)cc3)c3nc[nH+]c(N)c23)c1	ZINC000026827892	561822356	/nfs/dbraw/zinc/82/23/56/561822356.db2.gz	GUXOVNXSTZVJHP-UHFFFAOYSA-N	-1	2	609.472	4.285	1	0		KIAFLM
COc1cccc(-c2cn(-c3cccc(C(=O)Nc4ccc(C(P(=O)([O-])O)[P@](=O)([O-])O)cc4)c3)c3nc[nH+]c(N)c23)c1	ZINC000026834334	561823680	/nfs/dbraw/zinc/82/36/80/561823680.db2.gz	CEUUJOBSKLTCBL-UHFFFAOYSA-N	-1	2	609.472	4.285	1	0		KIAFLM
COc1cccc(-c2cn(-c3cccc(C(=O)Nc4ccc(C(P(=O)([O-])O)[P@@](=O)([O-])O)cc4)c3)c3nc[nH+]c(N)c23)c1	ZINC000026834334	561823678	/nfs/dbraw/zinc/82/36/78/561823678.db2.gz	CEUUJOBSKLTCBL-UHFFFAOYSA-N	-1	2	609.472	4.285	1	0		KIAFLM
Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(C(=O)[O-])cn2)cc1	ZINC000027086407	561836268	/nfs/dbraw/zinc/83/62/68/561836268.db2.gz	ZTMWRMDLWSYVBC-UHFFFAOYSA-N	-1	2	563.636	4.496	1	0		KIAFLM
COc1ccc(CC(=O)N[C@@H](Cc2ccc(O[P@](=O)([O-])O)cc2)C(=O)N[C@@H](C)c2nc(Cc3ccc(C(F)(F)F)cc3)no2)cc1	ZINC000027327472	561853911	/nfs/dbraw/zinc/85/39/11/561853911.db2.gz	LRGAHDOEHQSMEP-BVZFJXPGSA-N	-1	2	662.558	4.307	1	0		KIAFLM
COc1ccc(CC(=O)N[C@@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)C(=O)N[C@@H](C)c2nc(Cc3ccc(C(F)(F)F)cc3)no2)cc1	ZINC000027327472	561853909	/nfs/dbraw/zinc/85/39/09/561853909.db2.gz	LRGAHDOEHQSMEP-BVZFJXPGSA-N	-1	2	662.558	4.307	1	0		KIAFLM
C[C@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(=O)Cc1ccccc1)c1nc(Cc2ccc(C(F)(F)F)cc2)no1	ZINC000027330293	561854779	/nfs/dbraw/zinc/85/47/79/561854779.db2.gz	WTOJROANXLUZGX-UUOWRZLLSA-N	-1	2	632.532	4.298	1	0		KIAFLM
C[C@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(=O)Cc1ccccc1)c1nc(Cc2ccc(C(F)(F)F)cc2)no1	ZINC000027330293	561854776	/nfs/dbraw/zinc/85/47/76/561854776.db2.gz	WTOJROANXLUZGX-UUOWRZLLSA-N	-1	2	632.532	4.298	1	0		KIAFLM
C[C@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(=O)Cc1cccs1)c1nc(Cc2ccc(C(F)(F)F)cc2)no1	ZINC000027412555	561856571	/nfs/dbraw/zinc/85/65/71/561856571.db2.gz	GHTIUIFUKDTBOM-AOMKIAJQSA-N	-1	2	638.561	4.360	1	0		KIAFLM
C[C@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(=O)Cc1cccs1)c1nc(Cc2ccc(C(F)(F)F)cc2)no1	ZINC000027412555	561856570	/nfs/dbraw/zinc/85/65/70/561856570.db2.gz	GHTIUIFUKDTBOM-AOMKIAJQSA-N	-1	2	638.561	4.360	1	0		KIAFLM
COc1ccc(CC[C@@H]([NH2+][C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)[O-])[P@](=O)([O-])O)c(OC)c1OC	ZINC000027553240	561868595	/nfs/dbraw/zinc/86/85/95/561868595.db2.gz	WXWIQYRTNUWHLL-RDPSFJRHSA-N	-1	2	543.509	4.334	1	0		KIAFLM
COc1ccc(CC[C@@H]([NH2+][C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)[O-])[P@@](=O)([O-])O)c(OC)c1OC	ZINC000027553240	561868593	/nfs/dbraw/zinc/86/85/93/561868593.db2.gz	WXWIQYRTNUWHLL-RDPSFJRHSA-N	-1	2	543.509	4.334	1	0		KIAFLM
COc1ccc(CC[C@H]([NH2+][C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)[O-])[P@](=O)([O-])O)c(OC)c1OC	ZINC000027553243	561868643	/nfs/dbraw/zinc/86/86/43/561868643.db2.gz	WXWIQYRTNUWHLL-GBXCKJPGSA-N	-1	2	543.509	4.334	1	0		KIAFLM
COc1ccc(CC[C@H]([NH2+][C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)[O-])[P@@](=O)([O-])O)c(OC)c1OC	ZINC000027553243	561868642	/nfs/dbraw/zinc/86/86/42/561868642.db2.gz	WXWIQYRTNUWHLL-GBXCKJPGSA-N	-1	2	543.509	4.334	1	0		KIAFLM
COc1cc(CC[C@@H]([NH2+][C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)[O-])[P@](=O)([O-])O)cc(OC)c1OC	ZINC000027556872	561869728	/nfs/dbraw/zinc/86/97/28/561869728.db2.gz	SYDMWNRMRDIRAZ-CPJSRVTESA-N	-1	2	543.509	4.334	1	0		KIAFLM
COc1cc(CC[C@@H]([NH2+][C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)[O-])[P@@](=O)([O-])O)cc(OC)c1OC	ZINC000027556872	561869726	/nfs/dbraw/zinc/86/97/26/561869726.db2.gz	SYDMWNRMRDIRAZ-CPJSRVTESA-N	-1	2	543.509	4.334	1	0		KIAFLM
COc1cc(CC[C@H]([NH2+][C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)[O-])[P@](=O)([O-])O)cc(OC)c1OC	ZINC000027556874	561869750	/nfs/dbraw/zinc/86/97/50/561869750.db2.gz	SYDMWNRMRDIRAZ-NBGIEHNGSA-N	-1	2	543.509	4.334	1	0		KIAFLM
COc1cc(CC[C@H]([NH2+][C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)[O-])[P@@](=O)([O-])O)cc(OC)c1OC	ZINC000027556874	561869748	/nfs/dbraw/zinc/86/97/48/561869748.db2.gz	SYDMWNRMRDIRAZ-NBGIEHNGSA-N	-1	2	543.509	4.334	1	0		KIAFLM
O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)OC[C@@H](Cc2ccc(O)cc2)NS(=O)(=O)c2ccc3ccccc3c2)cc1O	ZINC000027563908	561871618	/nfs/dbraw/zinc/87/16/18/561871618.db2.gz	CHWIXPJSXKQFCT-HSZRJFAPSA-N	-1	2	657.653	4.338	1	0		KIAFLM
O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)OC[C@H](Cc2ccc(O)cc2)NS(=O)(=O)c2ccc3ccccc3c2)cc1O	ZINC000027563911	561871646	/nfs/dbraw/zinc/87/16/46/561871646.db2.gz	CHWIXPJSXKQFCT-QHCPKHFHSA-N	-1	2	657.653	4.338	1	0		KIAFLM
CC(C)(c1nc(-c2ccccc2)c(C(=O)[O-])s1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl	ZINC000028093402	561900341	/nfs/dbraw/zinc/90/03/41/561900341.db2.gz	TYIBCBODFNRMIE-UHFFFAOYSA-N	-1	2	503.367	4.375	1	0		KIAFLM
CC[C@@H](C)c1nc2c(=O)n(Cc3cccc(O[P@](=O)([O-])O)c3)nc(C)c2c2cc(-c3ccccc3)nn21	ZINC000028523908	561930621	/nfs/dbraw/zinc/93/06/21/561930621.db2.gz	CJAFFWBKYUSVOB-MRXNPFEDSA-N	-1	2	519.498	4.448	1	0		KIAFLM
CC[C@@H](C)c1nc2c(=O)n(Cc3cccc(O[P@@](=O)([O-])O)c3)nc(C)c2c2cc(-c3ccccc3)nn21	ZINC000028523908	561930620	/nfs/dbraw/zinc/93/06/20/561930620.db2.gz	CJAFFWBKYUSVOB-MRXNPFEDSA-N	-1	2	519.498	4.448	1	0		KIAFLM
CC[C@H](C)c1nc2c(=O)n(Cc3cccc(O[P@](=O)([O-])O)c3)nc(C)c2c2cc(-c3ccccc3)nn21	ZINC000028523909	561930631	/nfs/dbraw/zinc/93/06/31/561930631.db2.gz	CJAFFWBKYUSVOB-INIZCTEOSA-N	-1	2	519.498	4.448	1	0		KIAFLM
CC[C@H](C)c1nc2c(=O)n(Cc3cccc(O[P@@](=O)([O-])O)c3)nc(C)c2c2cc(-c3ccccc3)nn21	ZINC000028523909	561930630	/nfs/dbraw/zinc/93/06/30/561930630.db2.gz	CJAFFWBKYUSVOB-INIZCTEOSA-N	-1	2	519.498	4.448	1	0		KIAFLM
CN(Cc1ccccc1)C(=O)C[NH+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(C(F)(F)[P@](=O)([O-])O)cc1	ZINC000028528962	561933589	/nfs/dbraw/zinc/93/35/89/561933589.db2.gz	BIPKVPVSZBSWAN-UHFFFAOYSA-N	-1	2	562.506	4.038	1	0		KIAFLM
CN(Cc1ccccc1)C(=O)C[NH+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(C(F)(F)[P@@](=O)([O-])O)cc1	ZINC000028528962	561933587	/nfs/dbraw/zinc/93/35/87/561933587.db2.gz	BIPKVPVSZBSWAN-UHFFFAOYSA-N	-1	2	562.506	4.038	1	0		KIAFLM
CN(Cc1ccccc1)C(=O)C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(C(F)(F)P(=O)([O-])O)cc1	ZINC000028528962	561933586	/nfs/dbraw/zinc/93/35/86/561933586.db2.gz	BIPKVPVSZBSWAN-UHFFFAOYSA-N	-1	2	562.506	4.038	1	0		KIAFLM
CN(Cc1ccccc1)C(=O)C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(C(F)(F)P(=O)([O-])O)cc1	ZINC000028528962	561933583	/nfs/dbraw/zinc/93/35/83/561933583.db2.gz	BIPKVPVSZBSWAN-UHFFFAOYSA-N	-1	2	562.506	4.038	1	0		KIAFLM
CC(C)CCn1c2ccccc2nc1Cn1c2ccccc2n(Cc2ccc([P@](=O)([O-])O)cc2)c1=O	ZINC000028570467	561938772	/nfs/dbraw/zinc/93/87/72/561938772.db2.gz	KEQZAGWWPFUXQZ-UHFFFAOYSA-N	-1	2	504.527	4.098	1	0		KIAFLM
CC(C)CCn1c2ccccc2nc1Cn1c2ccccc2n(Cc2ccc([P@@](=O)([O-])O)cc2)c1=O	ZINC000028570467	561938770	/nfs/dbraw/zinc/93/87/70/561938770.db2.gz	KEQZAGWWPFUXQZ-UHFFFAOYSA-N	-1	2	504.527	4.098	1	0		KIAFLM
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C1=O	ZINC000028756136	561956023	/nfs/dbraw/zinc/95/60/23/561956023.db2.gz	QBVGFKJJSLXDTN-NSOVKSMOSA-N	-1	2	614.035	4.223	1	0		KIAFLM
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C1=O	ZINC000028756136	561956022	/nfs/dbraw/zinc/95/60/22/561956022.db2.gz	QBVGFKJJSLXDTN-NSOVKSMOSA-N	-1	2	614.035	4.223	1	0		KIAFLM
O=C(N[C@H]1CSCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O)c1ccc(O[P@@](=O)([O-])O)cc1	ZINC000028758967	561957483	/nfs/dbraw/zinc/95/74/83/561957483.db2.gz	NUZVLQPZRULNQH-KRWDZBQOSA-N	-1	2	572.420	4.070	1	0		KIAFLM
O=C(N[C@H]1CSCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O)c1ccc(O[P@](=O)([O-])O)cc1	ZINC000028758967	561957482	/nfs/dbraw/zinc/95/74/82/561957482.db2.gz	NUZVLQPZRULNQH-KRWDZBQOSA-N	-1	2	572.420	4.070	1	0		KIAFLM
O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](Cc1ccccc1)C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000028762124	561958315	/nfs/dbraw/zinc/95/83/15/561958315.db2.gz	OSYGUMDOKIEOQI-WIIGKZCBSA-N	-1	2	618.627	4.146	1	0		KIAFLM
O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](Cc1ccccc1)C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000028762124	561958313	/nfs/dbraw/zinc/95/83/13/561958313.db2.gz	OSYGUMDOKIEOQI-WIIGKZCBSA-N	-1	2	618.627	4.146	1	0		KIAFLM
O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](Cc1ccccc1)C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000028762126	561958338	/nfs/dbraw/zinc/95/83/38/561958338.db2.gz	OSYGUMDOKIEOQI-PIZZNKLWSA-N	-1	2	618.627	4.146	1	0		KIAFLM
O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](Cc1ccccc1)C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000028762126	561958336	/nfs/dbraw/zinc/95/83/36/561958336.db2.gz	OSYGUMDOKIEOQI-PIZZNKLWSA-N	-1	2	618.627	4.146	1	0		KIAFLM
O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000028762128	561958295	/nfs/dbraw/zinc/95/82/95/561958295.db2.gz	OSYGUMDOKIEOQI-CRXYYGHGSA-N	-1	2	618.627	4.146	1	0		KIAFLM
O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000028762128	561958293	/nfs/dbraw/zinc/95/82/93/561958293.db2.gz	OSYGUMDOKIEOQI-CRXYYGHGSA-N	-1	2	618.627	4.146	1	0		KIAFLM
O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000028762130	561958440	/nfs/dbraw/zinc/95/84/40/561958440.db2.gz	OSYGUMDOKIEOQI-XNFLFYSQSA-N	-1	2	618.627	4.146	1	0		KIAFLM
O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000028762130	561958439	/nfs/dbraw/zinc/95/84/39/561958439.db2.gz	OSYGUMDOKIEOQI-XNFLFYSQSA-N	-1	2	618.627	4.146	1	0		KIAFLM
COC(=O)N[C@H](C(=O)NCCCC[C@@H](CO[P@](=O)([O-])O)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1	ZINC000028967255	561985229	/nfs/dbraw/zinc/98/52/29/561985229.db2.gz	KHASNRBNVBIREH-IZEXYCQBSA-N	-1	2	704.783	4.237	1	0		KIAFLM
COC(=O)N[C@H](C(=O)NCCCC[C@@H](CO[P@@](=O)([O-])O)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1	ZINC000028967255	561985227	/nfs/dbraw/zinc/98/52/27/561985227.db2.gz	KHASNRBNVBIREH-IZEXYCQBSA-N	-1	2	704.783	4.237	1	0		KIAFLM
Cc1cc(C[C@@H](NS(=O)(=O)c2cccc(F)c2)c2[nH]cc(CCCOc3cccc(O)c3C(=O)[O-])[nH+]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O	ZINC000028978141	561987682	/nfs/dbraw/zinc/98/76/82/561987682.db2.gz	WUAJBSMXLMEQGE-SQHAQQRYSA-N	-1	2	686.740	4.266	1	0		KIAFLM
Cc1cc(C[C@H](NS(=O)(=O)c2cccc(F)c2)c2[nH]cc(CCCOc3cccc(O)c3C(=O)[O-])[nH+]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O	ZINC000028978148	561987668	/nfs/dbraw/zinc/98/76/68/561987668.db2.gz	WUAJBSMXLMEQGE-IGKIAQTJSA-N	-1	2	686.740	4.266	1	0		KIAFLM
Cc1cc(C[C@@H](NS(=O)(=O)c2cccc(F)c2)c2[nH]cc(CCCOc3cccc(O)c3C(=O)[O-])[nH+]2)ccc1[C@H]1CC(=O)[N-]S1(=O)=O	ZINC000028978154	561987746	/nfs/dbraw/zinc/98/77/46/561987746.db2.gz	WUAJBSMXLMEQGE-SHQCIBLASA-N	-1	2	686.740	4.266	1	0		KIAFLM
Cc1cc(C[C@H](NS(=O)(=O)c2cccc(F)c2)c2[nH]cc(CCCOc3cccc(O)c3C(=O)[O-])[nH+]2)ccc1[C@H]1CC(=O)[N-]S1(=O)=O	ZINC000028978160	561987715	/nfs/dbraw/zinc/98/77/15/561987715.db2.gz	WUAJBSMXLMEQGE-RPLLCQBOSA-N	-1	2	686.740	4.266	1	0		KIAFLM
O=C([O-])CC/C=C\C[C@@H]1CO[C@H](COc2cc(C(=O)[O-])ccc2OCCn2cc[nH+]c2)O[C@@H]1c1ccccc1O	ZINC000029343831	562015821	/nfs/dbraw/zinc/01/58/21/562015821.db2.gz	CHZKTNLUUNIFCP-CMOVNVCKSA-N	-1	2	552.580	4.286	1	0		KIAFLM
C=CC1=C(C)[C@H](CC2=[NH+]/C(=C/c3[nH]c(C[C@H]4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)[O-])C(CCC(=O)[O-])=C2C)NC1=O	ZINC000032789742	571744182	/nfs/dbraw/zinc/74/41/82/571744182.db2.gz	DOKCNDVEPDZOJQ-QEGVEPJLSA-N	-1	2	588.705	4.476	1	0	endogenous,in-man	KIAFLM
C=CC1=C(C)[C@H](CC2=[NH+]/C(=C/c3[nH]c(C[C@@H]4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)[O-])C(CCC(=O)[O-])=C2C)NC1=O	ZINC000032789745	571744195	/nfs/dbraw/zinc/74/41/95/571744195.db2.gz	DOKCNDVEPDZOJQ-UYMYUHGCSA-N	-1	2	588.705	4.476	1	0	endogenous,in-man	KIAFLM
CC(=O)S[C@@H](CCCCC(=O)N(C)CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)CCSC(=O)CCC(=O)[O-]	ZINC000036757842	562061397	/nfs/dbraw/zinc/06/13/97/562061397.db2.gz	IFEKJEWXDCPADZ-FCHUYYIVSA-N	-1	2	612.792	4.141	1	0		KIAFLM
CC(=O)S[C@H](CCCCC(=O)N(C)CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)CCSC(=O)CCC(=O)[O-]	ZINC000036757843	562061330	/nfs/dbraw/zinc/06/13/30/562061330.db2.gz	IFEKJEWXDCPADZ-FGZHOGPDSA-N	-1	2	612.792	4.141	1	0		KIAFLM
CC(=O)S[C@@H](CCCCC(=O)N(C)CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)CCSC(=O)CCC(=O)[O-]	ZINC000036757844	562061270	/nfs/dbraw/zinc/06/12/70/562061270.db2.gz	IFEKJEWXDCPADZ-VXKWHMMOSA-N	-1	2	612.792	4.141	1	0		KIAFLM
CC(=O)S[C@H](CCCCC(=O)N(C)CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)CCSC(=O)CCC(=O)[O-]	ZINC000036757845	562061361	/nfs/dbraw/zinc/06/13/61/562061361.db2.gz	IFEKJEWXDCPADZ-YADHBBJMSA-N	-1	2	612.792	4.141	1	0		KIAFLM
CC(C)C[C@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@@H](c2c([O-])c(C=O)c(O)c(C=O)c2O)[C@@H]1C(C)C	ZINC000038804347	562072340	/nfs/dbraw/zinc/07/23/40/562072340.db2.gz	PHQDMQGEKNBIPF-RAFFTOIBSA-N	-1	2	500.500	4.000	1	0	in-vivo	KIAFLM
C=CC1=C(C)[C@@H](CC2=[NH+]/C(=C/c3[nH]c(C[C@H]4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)[O-])C(CCC(=O)[O-])=C2C)NC1=O	ZINC000040164450	571756241	/nfs/dbraw/zinc/75/62/41/571756241.db2.gz	DOKCNDVEPDZOJQ-PXQXBSAQSA-N	-1	2	588.705	4.476	1	0	endogenous,in-man	KIAFLM
C=CC1=C(C)[C@@H](CC2=[NH+]/C(=C/c3[nH]c(C[C@@H]4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)[O-])C(CCC(=O)[O-])=C2C)NC1=O	ZINC000040164451	571756160	/nfs/dbraw/zinc/75/61/60/571756160.db2.gz	DOKCNDVEPDZOJQ-YYVBKQGDSA-N	-1	2	588.705	4.476	1	0	endogenous,in-man	KIAFLM
O=S(=O)([N-]C(=S)Nc1ccc(Cl)cc1)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000044388086	562656259	/nfs/dbraw/zinc/65/62/59/562656259.db2.gz	KMUXJCLWYBAQEW-UHFFFAOYSA-N	-1	2	544.507	4.190	1	0		KIAFLM
CC(=O)c1c([O-])c(C(c2c(O)c(C(C)=O)c(O)c(C(C)=O)c2O)C2CCCCC2)c(O)c(C(C)=O)c1O	ZINC000045356419	562661916	/nfs/dbraw/zinc/66/19/16/562661916.db2.gz	UOVQWIWUPCLIGY-UHFFFAOYSA-N	-1	2	514.527	4.443	1	0		KIAFLM
CC(=O)c1c([O-])c(C(CCc2ccccc2)c2c(O)c(C(C)=O)c(O)c(C(C)=O)c2O)c(O)c(C(C)=O)c1O	ZINC000049757492	562676071	/nfs/dbraw/zinc/67/60/71/562676071.db2.gz	KXSSUUBMIQITJK-UHFFFAOYSA-N	-1	2	536.533	4.495	1	0		KIAFLM
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O)OCO[P@](=O)([O-])O	ZINC000049833382	562687749	/nfs/dbraw/zinc/68/77/49/562687749.db2.gz	YNPMKIYQUHHBBF-TUCRWICHSA-N	-1	2	738.819	4.419	1	0		KIAFLM
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O)OCO[P@@](=O)([O-])O	ZINC000049833382	562687748	/nfs/dbraw/zinc/68/77/48/562687748.db2.gz	YNPMKIYQUHHBBF-TUCRWICHSA-N	-1	2	738.819	4.419	1	0		KIAFLM
Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)[O-])CC[C@](C)(COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)O2	ZINC000073296095	562737688	/nfs/dbraw/zinc/73/76/88/562737688.db2.gz	ZFKRHQZBTDTJNE-LYZGTLIUSA-N	-1	2	541.622	4.439	1	0		KIAFLM
Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)[O-])CC[C@@](C)(COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)O2	ZINC000073296097	562737694	/nfs/dbraw/zinc/73/76/94/562737694.db2.gz	ZFKRHQZBTDTJNE-PIKZIKFNSA-N	-1	2	541.622	4.439	1	0		KIAFLM
Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)[O-])CC[C@](C)(COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)O2	ZINC000073296098	562737707	/nfs/dbraw/zinc/73/77/07/562737707.db2.gz	ZFKRHQZBTDTJNE-RBTNQOKQSA-N	-1	2	541.622	4.439	1	0		KIAFLM
Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)[O-])CC[C@@](C)(COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)O2	ZINC000073296101	562737705	/nfs/dbraw/zinc/73/77/05/562737705.db2.gz	ZFKRHQZBTDTJNE-KMRXNPHXSA-N	-1	2	541.622	4.439	1	0		KIAFLM
C=CC1=C(C)/C(=C/C2=[NH+]/C(=C/c3[nH]c(C[C@H]4NC(=O)[C@@H](C)/C4=C\C)c(C)c3CCC(=O)[O-])C(CC(=O)[O-])=C2C)NC1=O	ZINC000073315652	562738063	/nfs/dbraw/zinc/73/80/63/562738063.db2.gz	NFFMLNZTNZKQFS-PSRLVFDKSA-N	-1	2	572.662	4.067	1	0		KIAFLM
C=CC1=C(C)/C(=C/C2=[NH+]/C(=C/c3[nH]c(C[C@H]4NC(=O)[C@H](C)/C4=C\C)c(C)c3CCC(=O)[O-])C(CC(=O)[O-])=C2C)NC1=O	ZINC000073315654	562738043	/nfs/dbraw/zinc/73/80/43/562738043.db2.gz	NFFMLNZTNZKQFS-XHVJKDTESA-N	-1	2	572.662	4.067	1	0		KIAFLM
C=CC1=C(C)/C(=C/C2=[NH+]/C(=C/c3[nH]c(C[C@@H]4NC(=O)[C@@H](C)/C4=C\C)c(C)c3CCC(=O)[O-])C(CC(=O)[O-])=C2C)NC1=O	ZINC000073315655	562738083	/nfs/dbraw/zinc/73/80/83/562738083.db2.gz	NFFMLNZTNZKQFS-VNKBBKMMSA-N	-1	2	572.662	4.067	1	0		KIAFLM
C=CC1=C(C)/C(=C/C2=[NH+]/C(=C/c3[nH]c(C[C@@H]4NC(=O)[C@H](C)/C4=C\C)c(C)c3CCC(=O)[O-])C(CC(=O)[O-])=C2C)NC1=O	ZINC000073315657	562738071	/nfs/dbraw/zinc/73/80/71/562738071.db2.gz	NFFMLNZTNZKQFS-OQPXZOPESA-N	-1	2	572.662	4.067	1	0		KIAFLM
NS(=O)(=O)C(F)(F)c1cc2nc(CN(Cc3ccc(-c4csnn4)cc3)S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)ccc2cc1F	ZINC000082157579	562740944	/nfs/dbraw/zinc/74/09/44/562740944.db2.gz	FRUMGZNRRQRQLG-UHFFFAOYSA-N	-1	2	693.707	4.085	1	0		KIAFLM
O=S(=O)([N-]c1nc(NS(=O)(=O)c2ccc(Cl)cc2)nc(-c2ccc3c(c2)OCO3)n1)c1ccc(Cl)cc1	ZINC000082158069	562741026	/nfs/dbraw/zinc/74/10/26/562741026.db2.gz	AFUWPEOWPXLCKP-UHFFFAOYSA-N	-1	2	580.431	4.176	1	0		KIAFLM
O=[P@]([O-])(O)[C@H](Cc1cccc2cccnc21)N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1	ZINC000084403450	562742994	/nfs/dbraw/zinc/74/29/94/562742994.db2.gz	RZMPSTCSWYMNIQ-DNQXCXABSA-N	-1	2	500.499	4.035	1	0		KIAFLM
O=[P@@]([O-])(O)[C@H](Cc1cccc2cccnc21)N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1	ZINC000084403450	562742993	/nfs/dbraw/zinc/74/29/93/562742993.db2.gz	RZMPSTCSWYMNIQ-DNQXCXABSA-N	-1	2	500.499	4.035	1	0		KIAFLM
O=[P@]([O-])(O)[C@@H](Cc1cccc2cccnc21)N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1	ZINC000084403451	562742968	/nfs/dbraw/zinc/74/29/68/562742968.db2.gz	RZMPSTCSWYMNIQ-RPWUZVMVSA-N	-1	2	500.499	4.035	1	0		KIAFLM
O=[P@@]([O-])(O)[C@@H](Cc1cccc2cccnc21)N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1	ZINC000084403451	562742967	/nfs/dbraw/zinc/74/29/67/562742967.db2.gz	RZMPSTCSWYMNIQ-RPWUZVMVSA-N	-1	2	500.499	4.035	1	0		KIAFLM
CSc1ccc(OP(=O)(Oc2ccc(SC)cc2)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)Cn2cc(C)c(=O)n(CC(=O)[O-])c2=O)C(C)C)C(C)C)cc1	ZINC000095552116	562760603	/nfs/dbraw/zinc/76/06/03/562760603.db2.gz	XQTLMLKHGMFAFH-NMUBOZGASA-N	-1	2	817.924	4.428	1	0		KIAFLM
CCCCS(=O)(=O)[N-]c1nc(-c2ncccn2)nc(OCCOc2ncc(Br)cn2)c1Oc1ccccc1OC	ZINC000095552921	562760809	/nfs/dbraw/zinc/76/08/09/562760809.db2.gz	YPXSZXRASAVIKK-UHFFFAOYSA-N	-1	2	632.497	4.287	1	0		KIAFLM
COc1ccc(S(=O)(=O)[N-]C(=O)Cc2cn(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1	ZINC000095583745	562773009	/nfs/dbraw/zinc/77/30/09/562773009.db2.gz	PNXAZBLRMHAZNR-UHFFFAOYSA-N	-1	2	512.971	4.048	1	0		KIAFLM
CC(=O)NCc1cccc(Cn2nc([N-]S(=O)(=O)c3ccc(Cl)s3)c3c2cccc3C(C)(C)O)c1	ZINC000095583750	562773010	/nfs/dbraw/zinc/77/30/10/562773010.db2.gz	VKGBGXKPNDCEJE-UHFFFAOYSA-N	-1	2	533.075	4.464	1	0		KIAFLM
COc1ccc([C@H]2[C@H](c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O[P@](=O)([O-])O	ZINC000095589555	562774964	/nfs/dbraw/zinc/77/49/64/562774964.db2.gz	PUAHMNVFICCSBJ-SFTDATJTSA-N	-1	2	521.484	4.126	1	0		KIAFLM
COc1ccc([C@H]2[C@H](c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O[P@@](=O)([O-])O	ZINC000095589555	562774963	/nfs/dbraw/zinc/77/49/63/562774963.db2.gz	PUAHMNVFICCSBJ-SFTDATJTSA-N	-1	2	521.484	4.126	1	0		KIAFLM
COc1ccc([C@H]2[C@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O[P@](=O)([O-])O	ZINC000095592299	562775915	/nfs/dbraw/zinc/77/59/15/562775915.db2.gz	MEKKSAYXENWEGZ-GOTSBHOMSA-N	-1	2	515.455	4.064	1	0		KIAFLM
COc1ccc([C@H]2[C@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O[P@@](=O)([O-])O	ZINC000095592299	562775914	/nfs/dbraw/zinc/77/59/14/562775914.db2.gz	MEKKSAYXENWEGZ-GOTSBHOMSA-N	-1	2	515.455	4.064	1	0		KIAFLM
O=C([O-])c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)cc1	ZINC000095605800	562781707	/nfs/dbraw/zinc/78/17/07/562781707.db2.gz	GORPEPQGNOSGTJ-UHFFFAOYSA-N	-1	2	522.564	4.147	1	0		KIAFLM
CO[C@]12C[C@@H]3C(C)(C)O[C@](C/C=C(/C)C(=O)[O-])(C1=O)[C@@]31Oc3c4c(c(CC=C(C)C)c(O)c3C(=O)[C@H]1[C@@H]2O)O[C@@H](C)C4(C)C	ZINC000095915115	565187973	/nfs/dbraw/zinc/18/79/73/565187973.db2.gz	RBOHAEQJEXPWDA-LYTKBAPXSA-N	-1	2	610.700	4.207	1	0	biogenic,in-vitro	KIAFLM
O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1Br)NCc1ccccc1Cl	ZINC000101565282	562811307	/nfs/dbraw/zinc/81/13/07/562811307.db2.gz	BTGRHUDUHDSYRW-UHFFFAOYSA-N	-1	2	504.797	4.297	1	0		KIAFLM
COc1ccc(CCNC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(Cl)cc2Cl)cc1OC	ZINC000101586289	562811352	/nfs/dbraw/zinc/81/13/52/562811352.db2.gz	BCHXRQBEFXUYCE-UHFFFAOYSA-N	-1	2	534.425	4.248	1	0		KIAFLM
CNC(=O)c1c2cc(C3CC3)c(N(Cc3ccc([P@](=O)([O-])O)cc3)S(C)(=O)=O)cc2oc1-c1ccc(F)cc1	ZINC000103262392	562821633	/nfs/dbraw/zinc/82/16/33/562821633.db2.gz	DTIIPYIOXTUZEF-UHFFFAOYSA-N	-1	2	572.551	4.245	1	0		KIAFLM
CNC(=O)c1c2cc(C3CC3)c(N(Cc3ccc([P@@](=O)([O-])O)cc3)S(C)(=O)=O)cc2oc1-c1ccc(F)cc1	ZINC000103262392	562821632	/nfs/dbraw/zinc/82/16/32/562821632.db2.gz	DTIIPYIOXTUZEF-UHFFFAOYSA-N	-1	2	572.551	4.245	1	0		KIAFLM
COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc(OC)c1OC	ZINC000135790435	562831034	/nfs/dbraw/zinc/83/10/34/562831034.db2.gz	BJACXOCJPLSUML-UHFFFAOYSA-N	-1	2	520.947	4.117	1	0		KIAFLM
NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(-c3c4ccc(O)cc4oc4cc(=O)ccc3-4)c(C(=O)[O-])c2)cc1	ZINC000142993623	562834434	/nfs/dbraw/zinc/83/44/34/562834434.db2.gz	MWYSNECAHMAFGG-UHFFFAOYSA-N	-1	2	575.624	4.103	1	0		KIAFLM
CC(C)[C@H](C(=O)N[C@H]1C(=O)Cc2ccccc21)[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc21)[C@@H](C)O[P@](=O)([O-])O	ZINC000150594862	562846566	/nfs/dbraw/zinc/84/65/66/562846566.db2.gz	WPMCAFGGHDSURD-CSPSPLQSSA-N	-1	2	781.840	4.420	1	0		KIAFLM
CC(C)[C@H](C(=O)N[C@H]1C(=O)Cc2ccccc21)[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc21)[C@@H](C)O[P@@](=O)([O-])O	ZINC000150594862	562846565	/nfs/dbraw/zinc/84/65/65/562846565.db2.gz	WPMCAFGGHDSURD-CSPSPLQSSA-N	-1	2	781.840	4.420	1	0		KIAFLM
CC(C)[C@H](C(=O)N[C@H]1C(=O)Cc2ccccc21)[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc21)[C@H](C)O[P@](=O)([O-])O	ZINC000150594865	562846578	/nfs/dbraw/zinc/84/65/78/562846578.db2.gz	WPMCAFGGHDSURD-PUSRBIQMSA-N	-1	2	781.840	4.420	1	0		KIAFLM
CC(C)[C@H](C(=O)N[C@H]1C(=O)Cc2ccccc21)[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc21)[C@H](C)O[P@@](=O)([O-])O	ZINC000150594865	562846577	/nfs/dbraw/zinc/84/65/77/562846577.db2.gz	WPMCAFGGHDSURD-PUSRBIQMSA-N	-1	2	781.840	4.420	1	0		KIAFLM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(CCOc4cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc5c4)CC3)cc21	ZINC000169337460	562860010	/nfs/dbraw/zinc/86/00/10/562860010.db2.gz	ATVLEGJQTGCWDH-UHFFFAOYSA-N	-1	2	615.614	4.244	1	0		KIAFLM
CC(=O)Nc1cc(-c2c(C)cccc2C)cc2nnc(Nc3ccc(C(=O)NCC[NH+]4CCCC4)o3)nc21	ZINC000169694143	562865215	/nfs/dbraw/zinc/86/52/15/562865215.db2.gz	PDGSDMDSBVRRMY-UHFFFAOYSA-N	-1	2	513.602	4.429	1	0		KIAFLM
O=C([O-])CCNC(=O)c1nc(-c2nccs2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O	ZINC000169711078	562870855	/nfs/dbraw/zinc/87/08/55/562870855.db2.gz	SBYLVWBDWWRENU-UHFFFAOYSA-N	-1	2	526.574	4.145	1	0		KIAFLM
COc1ccc(-c2cc(CNc3ccc(S(=O)(=O)Nc4nnc(C)s4)cc3)cc(C(=O)[O-])c2)cn1	ZINC000230585752	562881128	/nfs/dbraw/zinc/88/11/28/562881128.db2.gz	CBZPCOUPBNLTKW-UHFFFAOYSA-N	-1	2	511.585	4.028	1	0	in-vitro	KIAFLM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](n2cnc3c2ncnc3-c2cccc(-c3cccc4c5ccccc5sc43)c2)[C@H](O)[C@@H]1O	ZINC000299837732	562887616	/nfs/dbraw/zinc/88/76/16/562887616.db2.gz	PIRFJRGEOQQQOU-QZHHGCDDSA-N	-1	2	590.554	4.257	1	0		KIAFLM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](n2cnc3c2ncnc3-c2cccc(-c3cccc4c5ccccc5sc43)c2)[C@H](O)[C@@H]1O	ZINC000299837732	562887615	/nfs/dbraw/zinc/88/76/15/562887615.db2.gz	PIRFJRGEOQQQOU-QZHHGCDDSA-N	-1	2	590.554	4.257	1	0		KIAFLM
CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(=O)O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)c(NS(=O)(=O)c2ccc(C3CC3)cc2Cl)c1	ZINC000299853544	562891175	/nfs/dbraw/zinc/89/11/75/562891175.db2.gz	MLRYWGXYDWMAGZ-RIJOFNGHSA-N	-1	2	785.627	4.109	1	0		KIAFLM
COc1cc2oc(-c3cccc(OC(=O)N4CC[NH+](Cc5ccccc5)CC4)c3)cc(=O)c2c(O)c1OC	ZINC000299871462	562895680	/nfs/dbraw/zinc/89/56/80/562895680.db2.gz	YPQSERDLWNCLCI-UHFFFAOYSA-N	-1	2	516.550	4.499	1	0		KIAFLM
Cc1nnc(NS(=O)(=O)c2ccc(NCc3cc(C(=O)[O-])cc(-c4ccc5c(c4)OCCO5)c3)cc2)s1	ZINC000473128610	562899966	/nfs/dbraw/zinc/89/99/66/562899966.db2.gz	CTMXQXVWTYALGC-UHFFFAOYSA-N	-1	2	538.607	4.396	1	0		KIAFLM
C[C@H](NC(=O)c1cc2cc(O[P@](=O)([O-])O)ccc2[nH]1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1	ZINC000473234900	562904560	/nfs/dbraw/zinc/90/45/60/562904560.db2.gz	FSYHCVKPBIPFQS-JTQLQIEISA-N	-1	2	511.258	4.411	1	0		KIAFLM
C[C@H](NC(=O)c1cc2cc(O[P@@](=O)([O-])O)ccc2[nH]1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1	ZINC000473234900	562904559	/nfs/dbraw/zinc/90/45/59/562904559.db2.gz	FSYHCVKPBIPFQS-JTQLQIEISA-N	-1	2	511.258	4.411	1	0		KIAFLM
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2n[nH+]cc(N3CCOCC3)c2N)cc1	ZINC000474608997	562905475	/nfs/dbraw/zinc/90/54/75/562905475.db2.gz	NHIOMLRISKSZIR-UHFFFAOYSA-N	-1	2	502.040	4.314	1	0		KIAFLM
C/C(=C\C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccccc1)C(C)(C)C)c1ccc(O[P@](=O)([O-])O)cc1	ZINC000653793171	562912762	/nfs/dbraw/zinc/91/27/62/562912762.db2.gz	HODMGQXOGMVLJY-IIZAQIIQSA-N	-1	2	543.601	4.220	1	0		KIAFLM
C/C(=C\C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccccc1)C(C)(C)C)c1ccc(O[P@@](=O)([O-])O)cc1	ZINC000653793171	562912761	/nfs/dbraw/zinc/91/27/61/562912761.db2.gz	HODMGQXOGMVLJY-IIZAQIIQSA-N	-1	2	543.601	4.220	1	0		KIAFLM
C/C(=C\C(=O)N[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccccc1)C(C)(C)C)c1ccc(O[P@](=O)([O-])O)cc1	ZINC000653793172	562912781	/nfs/dbraw/zinc/91/27/81/562912781.db2.gz	HODMGQXOGMVLJY-MOCIGUIUSA-N	-1	2	543.601	4.220	1	0		KIAFLM
C/C(=C\C(=O)N[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccccc1)C(C)(C)C)c1ccc(O[P@@](=O)([O-])O)cc1	ZINC000653793172	562912780	/nfs/dbraw/zinc/91/27/80/562912780.db2.gz	HODMGQXOGMVLJY-MOCIGUIUSA-N	-1	2	543.601	4.220	1	0		KIAFLM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)CC(c1ccccc1)c1ccccc1	ZINC000095603809	562780695	/nfs/dbraw/zinc/78/06/95/562780695.db2.gz	DGOJORUYFYYYRN-HHHXNRCGSA-N	-1	2	528.577	4.306	3	0		KIAFLM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)CC(c1ccccc1)c1ccccc1	ZINC000095603810	562780696	/nfs/dbraw/zinc/78/06/96/562780696.db2.gz	DGOJORUYFYYYRN-MHZLTWQESA-N	-1	2	528.577	4.306	3	0		KIAFLM