smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccccc1-c1ccc(CN2CCCC[C@H](NC(=O)c3ccc(O[P@@](=O)([O-])O)cc3)C2=O)cc1	ZINC000013441006	561712641	/nfs/dbraw/zinc/71/26/41/561712641.db2.gz	LNOGZHMFVYZERW-VWLOTQADSA-N	-1	2	519.494	4.008	1	30		KIEFLM
N#Cc1ccccc1-c1ccc(CN2CCCC[C@H](NC(=O)c3ccc(O[P@](=O)([O-])O)cc3)C2=O)cc1	ZINC000013441006	561712640	/nfs/dbraw/zinc/71/26/40/561712640.db2.gz	LNOGZHMFVYZERW-VWLOTQADSA-N	-1	2	519.494	4.008	1	30		KIEFLM
CCCCc1nc(SC)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NC)cc1	ZINC000013741874	561726194	/nfs/dbraw/zinc/72/61/94/561726194.db2.gz	MWEUOYZPAOOJFY-UHFFFAOYSA-N	-1	2	516.645	4.183	1	30		KIEFLM
CCCCc1nc(SC)c(C(=O)NCC(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCCC)cc1	ZINC000026400321	561788207	/nfs/dbraw/zinc/78/82/07/561788207.db2.gz	BRQQBJCKXRWMLJ-UHFFFAOYSA-N	-1	2	601.751	4.080	1	30		KIEFLM
CCCc1cc(C)c(=O)n([C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)n1	ZINC000026668637	561811778	/nfs/dbraw/zinc/81/17/78/561811778.db2.gz	ABGOGTPZZDQRQT-XMMPIXPASA-N	-1	2	511.600	4.291	1	30		KIEFLM
CCCc1cc(C)c(=O)n([C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)n1	ZINC000026668641	561811808	/nfs/dbraw/zinc/81/18/08/561811808.db2.gz	ABGOGTPZZDQRQT-DEOSSOPVSA-N	-1	2	511.600	4.291	1	30		KIEFLM
C#CCOc1nc(-c2ccnc(-c3nc(=S)o[nH]3)c2)nc([N-]S(=O)(=O)c2ccc(C)cn2)c1Oc1ccccc1OC	ZINC000028017936	561897728	/nfs/dbraw/zinc/89/77/28/561897728.db2.gz	VVHUUKQWKHDRBQ-UHFFFAOYSA-N	-1	2	603.642	4.194	1	30		KIEFLM
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@@H](O)[C@@H]4O[C@@]45C[C@@H](OC(=O)[C@@H]([NH3+])[C@@H](OS(=O)(=O)[O-])C(C)C)CC[C@]5(C)[C@H]3CC[C@@]21C(=O)[O-]	ZINC000028541282	561935202	/nfs/dbraw/zinc/93/52/02/561935202.db2.gz	ISIMKBKTIVYXIT-DIGXQPPXSA-N	-1	2	667.862	4.444	1	30		KIEFLM
C[C@H]1COc2c(N3CCN(C/C(=N\O)c4ccc(Cl)cc4Cl)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32	ZINC000028712708	561953293	/nfs/dbraw/zinc/95/32/93/561953293.db2.gz	KMJBLYIIXLKMDF-VYKBWVGWSA-N	-1	2	549.386	4.100	1	30		KIEFLM
CCCCCCCCCCCCCCCCCCNC(=O)[C@H](CO[P@](=O)([O-])O)NS(C)(=O)=O	ZINC000043469889	562648652	/nfs/dbraw/zinc/64/86/52/562648652.db2.gz	JQSJQAWROQYJDP-NRFANRHFSA-N	-1	2	514.666	4.391	1	30		KIEFLM
CCCCCCCCCCCCCCCCCCNC(=O)[C@H](CO[P@@](=O)([O-])O)NS(C)(=O)=O	ZINC000043469889	562648651	/nfs/dbraw/zinc/64/86/51/562648651.db2.gz	JQSJQAWROQYJDP-NRFANRHFSA-N	-1	2	514.666	4.391	1	30		KIEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000049836598	562687929	/nfs/dbraw/zinc/68/79/29/562687929.db2.gz	VBGTWNQDLZANTG-ZDEPOEGESA-N	-1	2	673.781	4.039	1	30		KIEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000049836598	562687928	/nfs/dbraw/zinc/68/79/28/562687928.db2.gz	VBGTWNQDLZANTG-ZDEPOEGESA-N	-1	2	673.781	4.039	1	30		KIEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000049836600	562687945	/nfs/dbraw/zinc/68/79/45/562687945.db2.gz	VBGTWNQDLZANTG-WIBLCJIBSA-N	-1	2	673.781	4.039	1	30		KIEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000049836600	562687944	/nfs/dbraw/zinc/68/79/44/562687944.db2.gz	VBGTWNQDLZANTG-WIBLCJIBSA-N	-1	2	673.781	4.039	1	30		KIEFLM
N#Cc1cc(Cl)cc(Oc2c(=O)n(Cc3nn(CO[P@@](=O)([O-])O)c4ncccc34)ccc2C(F)(F)F)c1	ZINC000072317537	562733156	/nfs/dbraw/zinc/73/31/56/562733156.db2.gz	WTVZSRLYWBQFFG-UHFFFAOYSA-N	-1	2	555.793	4.044	1	30		KIEFLM
N#Cc1cc(Cl)cc(Oc2c(=O)n(Cc3nn(CO[P@](=O)([O-])O)c4ncccc34)ccc2C(F)(F)F)c1	ZINC000072317537	562733155	/nfs/dbraw/zinc/73/31/55/562733155.db2.gz	WTVZSRLYWBQFFG-UHFFFAOYSA-N	-1	2	555.793	4.044	1	30		KIEFLM
COC(=O)CCCc1cc2ccccc2c(CNC(=O)c2c3c(c(O)cc2OC)[C@@]2(C)C(=CC([O-])=C(C(C)=O)C2=O)O3)c1	ZINC000073196995	562735248	/nfs/dbraw/zinc/73/52/48/562735248.db2.gz	KQYAGEZBMPOAKO-MGBGTMOVSA-N	-1	2	585.609	4.498	1	30		KIEFLM
COC(=O)CCCc1cc2ccccc2c(CNC(=O)c2c3c(c(O)cc2OC)[C@@]2(C)C(=CC(=O)C(=C(C)[O-])C2=O)O3)c1	ZINC000073196995	562735247	/nfs/dbraw/zinc/73/52/47/562735247.db2.gz	KQYAGEZBMPOAKO-MGBGTMOVSA-N	-1	2	585.609	4.498	1	30		KIEFLM
COC(=O)CCCc1cc2ccccc2c(CNC(=O)c2c3c(c(O)cc2OC)[C@@]2(C)C(=CC(=O)C(C(C)=O)=C2[O-])O3)c1	ZINC000073196995	562735246	/nfs/dbraw/zinc/73/52/46/562735246.db2.gz	KQYAGEZBMPOAKO-MGBGTMOVSA-N	-1	2	585.609	4.498	1	30		KIEFLM
COC(=O)CCc1cc2ccccc2c(CNC(=O)c2c3c(c(O)cc2OC)[C@@]2(C)C(=CC([O-])=C(C(C)=O)C2=O)O3)c1	ZINC000073198512	562735773	/nfs/dbraw/zinc/73/57/73/562735773.db2.gz	BLDDPMYSIQFXOT-JGCGQSQUSA-N	-1	2	571.582	4.107	1	30	in-vitro	KIEFLM
COC(=O)CCc1cc2ccccc2c(CNC(=O)c2c3c(c(O)cc2OC)[C@@]2(C)C(=CC(=O)C(=C(C)[O-])C2=O)O3)c1	ZINC000073198512	562735772	/nfs/dbraw/zinc/73/57/72/562735772.db2.gz	BLDDPMYSIQFXOT-JGCGQSQUSA-N	-1	2	571.582	4.107	1	30	in-vitro	KIEFLM
COC(=O)CCc1cc2ccccc2c(CNC(=O)c2c3c(c(O)cc2OC)[C@@]2(C)C(=CC(=O)C(C(C)=O)=C2[O-])O3)c1	ZINC000073198512	562735771	/nfs/dbraw/zinc/73/57/71/562735771.db2.gz	BLDDPMYSIQFXOT-JGCGQSQUSA-N	-1	2	571.582	4.107	1	30	in-vitro	KIEFLM
COCc1cc2ccccc2c(CNC(=O)c2c3c(c(O)cc2OC)[C@@]2(C)C(=CC([O-])=C(C(C)=O)C2=O)O3)c1	ZINC000082154902	562740400	/nfs/dbraw/zinc/74/04/00/562740400.db2.gz	QSIKHNKQCQVSOJ-SSEXGKCCSA-N	-1	2	529.545	4.148	1	30		KIEFLM
COCc1cc2ccccc2c(CNC(=O)c2c3c(c(O)cc2OC)[C@@]2(C)C(=CC(=O)C(=C(C)[O-])C2=O)O3)c1	ZINC000082154902	562740399	/nfs/dbraw/zinc/74/03/99/562740399.db2.gz	QSIKHNKQCQVSOJ-SSEXGKCCSA-N	-1	2	529.545	4.148	1	30		KIEFLM
COCc1cc2ccccc2c(CNC(=O)c2c3c(c(O)cc2OC)[C@@]2(C)C(=CC(=O)C(C(C)=O)=C2[O-])O3)c1	ZINC000082154902	562740398	/nfs/dbraw/zinc/74/03/98/562740398.db2.gz	QSIKHNKQCQVSOJ-SSEXGKCCSA-N	-1	2	529.545	4.148	1	30		KIEFLM
COc1cc2ccccc2c(CNC(=O)c2c3c(c(O)cc2OC)[C@@]2(C)C(=CC(=O)C(=C(C)[O-])C2=O)O3)c1	ZINC000082156811	562740713	/nfs/dbraw/zinc/74/07/13/562740713.db2.gz	RVHTZJHRUXAALA-GDLZYMKVSA-N	-1	2	515.518	4.010	1	30		KIEFLM
COc1cc2ccccc2c(CNC(=O)c2c3c(c(O)cc2OC)[C@@]2(C)C(=CC(=O)C(C(C)=O)=C2[O-])O3)c1	ZINC000082156811	562740712	/nfs/dbraw/zinc/74/07/12/562740712.db2.gz	RVHTZJHRUXAALA-GDLZYMKVSA-N	-1	2	515.518	4.010	1	30		KIEFLM
COc1cc2ccccc2c(CNC(=O)c2c3c(c(O)cc2OC)[C@@]2(C)C(=CC([O-])=C(C(C)=O)C2=O)O3)c1	ZINC000082156811	562740711	/nfs/dbraw/zinc/74/07/11/562740711.db2.gz	RVHTZJHRUXAALA-GDLZYMKVSA-N	-1	2	515.518	4.010	1	30		KIEFLM
COc1cc(=O)c2c(O)c(OC)c3c4c2c1c1c(OC)cc(=O)c2c(O)c(OC)c(c4c21)C(C(C)=NCCCS(=O)(=O)[O-])=C(C)C3	ZINC000084655047	562747415	/nfs/dbraw/zinc/74/74/15/562747415.db2.gz	HKZXWULMTWLEDA-HBHSWBPBSA-N	-1	2	649.674	4.409	1	30		KIEFLM
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3c(F)cccc31)OC1=CC([O-])=C(C(C)=O)C(=O)[C@@]21C	ZINC000084711074	562750641	/nfs/dbraw/zinc/75/06/41/562750641.db2.gz	QLXCUXMVQPHGCW-GDLZYMKVSA-N	-1	2	517.509	4.449	1	30		KIEFLM
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3c(F)cccc31)OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]21C	ZINC000084711074	562750640	/nfs/dbraw/zinc/75/06/40/562750640.db2.gz	QLXCUXMVQPHGCW-GDLZYMKVSA-N	-1	2	517.509	4.449	1	30		KIEFLM
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3c(F)cccc31)OC1=CC(=O)C(C(C)=O)=C([O-])[C@@]21C	ZINC000084711074	562750639	/nfs/dbraw/zinc/75/06/39/562750639.db2.gz	QLXCUXMVQPHGCW-GDLZYMKVSA-N	-1	2	517.509	4.449	1	30		KIEFLM
Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(O[C@@H]2Cc2cccc(C(N)[NH3+])c2)C2CCC(CC2)[C@@H]31	ZINC000085594051	560064816	/nfs/dbraw/zinc/06/48/16/560064816.db2.gz	ZPWGIWYYWNKZJT-WMYCGWEVSA-N	-1	2	560.647	4.090	1	30	biogenic,in-vitro	KIEFLM
Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(O[C@@H]2Cc2cccc(C(N)[NH3+])c2)C2CCC(CC2)[C@@H]31	ZINC000085594053	560064842	/nfs/dbraw/zinc/06/48/42/560064842.db2.gz	ZPWGIWYYWNKZJT-NJMJWFGMSA-N	-1	2	560.647	4.090	1	30	biogenic,in-vitro	KIEFLM
CCCCCCCCCCCCCCCCNc1nc(=O)n([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O[C@@H]3C[C@H](n4cc(F)c(=O)[nH]c4=O)O[C@@H]3CO)O2)cc1F	ZINC000095549364	562759878	/nfs/dbraw/zinc/75/98/78/562759878.db2.gz	PNVSGXBBZCZTQV-VCNFNBSBSA-N	-1	2	777.800	4.395	1	30		KIEFLM
COc1cc2cc(C(=O)N3C[C@H](COS(=O)(=O)Cc4ccccc4)c4c3cc([N+](=O)[O-])c3cc(C(=O)NCCO[P@](=O)([O-])O)ccc43)[nH]c2c(OC)c1OC	ZINC000095552580	562760658	/nfs/dbraw/zinc/76/06/58/562760658.db2.gz	XONKTDXZMVBUDM-HSZRJFAPSA-N	-1	2	798.720	4.385	1	30		KIEFLM
COc1cc2cc(C(=O)N3C[C@H](COS(=O)(=O)Cc4ccccc4)c4c3cc([N+](=O)[O-])c3cc(C(=O)NCCO[P@@](=O)([O-])O)ccc43)[nH]c2c(OC)c1OC	ZINC000095552580	562760657	/nfs/dbraw/zinc/76/06/57/562760657.db2.gz	XONKTDXZMVBUDM-HSZRJFAPSA-N	-1	2	798.720	4.385	1	30		KIEFLM
COc1cc2cc(C(=O)N3C[C@@H](COS(=O)(=O)Cc4ccccc4)c4c3cc([N+](=O)[O-])c3cc(C(=O)NCCO[P@](=O)([O-])O)ccc43)[nH]c2c(OC)c1OC	ZINC000095552581	562760706	/nfs/dbraw/zinc/76/07/06/562760706.db2.gz	XONKTDXZMVBUDM-QHCPKHFHSA-N	-1	2	798.720	4.385	1	30		KIEFLM
COc1cc2cc(C(=O)N3C[C@@H](COS(=O)(=O)Cc4ccccc4)c4c3cc([N+](=O)[O-])c3cc(C(=O)NCCO[P@@](=O)([O-])O)ccc43)[nH]c2c(OC)c1OC	ZINC000095552581	562760705	/nfs/dbraw/zinc/76/07/05/562760705.db2.gz	XONKTDXZMVBUDM-QHCPKHFHSA-N	-1	2	798.720	4.385	1	30		KIEFLM
N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2cc(Cl)cn2)c(C(=O)[O-])c1	ZINC000095583022	562772761	/nfs/dbraw/zinc/77/27/61/562772761.db2.gz	XBTQIJKLLAUJNM-UHFFFAOYSA-N	-1	2	501.933	4.145	1	30		KIEFLM
N#Cc1cc(S(=O)(=O)[N-]c2ncns2)ccc1Oc1ccc(Cl)cc1-c1cc(N2CCC2)ncn1	ZINC000095583150	562772844	/nfs/dbraw/zinc/77/28/44/562772844.db2.gz	MKKUDYKQDYCOOR-UHFFFAOYSA-N	-1	2	526.003	4.323	1	30		KIEFLM
N#Cc1cc(S(=O)(=O)[N-]c2nncs2)ccc1Oc1ccc(C(F)(F)F)cc1-c1ccnnc1	ZINC000095583727	562773012	/nfs/dbraw/zinc/77/30/12/562773012.db2.gz	HINLBKCOSSRYQM-UHFFFAOYSA-N	-1	2	504.475	4.479	1	30		KIEFLM
O=C1C=CC(F)(F)C2=C1[C@]1(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CCC[C@@H](C[N-]S(=O)(=O)C(F)(F)F)[C@@H]1CO2	ZINC000095593398	562776243	/nfs/dbraw/zinc/77/62/43/562776243.db2.gz	ZJQQIWPRJMXYQZ-ODYMNIRHSA-N	-1	2	609.513	4.132	1	30		KIEFLM
CCOc1cc2ccccc2c(CNC(=O)c2c3c(c(O)cc2OC)[C@@]2(C)C(=CC(=O)C(=C(C)[O-])C2=O)O3)c1	ZINC000101468112	562810861	/nfs/dbraw/zinc/81/08/61/562810861.db2.gz	YMVHWNQNRJLTTN-SSEXGKCCSA-N	-1	2	529.545	4.401	1	30	in-vitro	KIEFLM
CCOc1cc2ccccc2c(CNC(=O)c2c3c(c(O)cc2OC)[C@@]2(C)C(=CC(=O)C(C(C)=O)=C2[O-])O3)c1	ZINC000101468112	562810860	/nfs/dbraw/zinc/81/08/60/562810860.db2.gz	YMVHWNQNRJLTTN-SSEXGKCCSA-N	-1	2	529.545	4.401	1	30	in-vitro	KIEFLM
CCOc1cc2ccccc2c(CNC(=O)c2c3c(c(O)cc2OC)[C@@]2(C)C(=CC([O-])=C(C(C)=O)C2=O)O3)c1	ZINC000101468112	562810859	/nfs/dbraw/zinc/81/08/59/562810859.db2.gz	YMVHWNQNRJLTTN-SSEXGKCCSA-N	-1	2	529.545	4.401	1	30	in-vitro	KIEFLM
COc1cc(O)c2c(c1C(=O)NCc1c(C)cc(F)c3ccccc31)OC1=CC([O-])=C(C(C)=O)C(=O)[C@@]21C	ZINC000101510971	562811114	/nfs/dbraw/zinc/81/11/14/562811114.db2.gz	FUOVOICVCWCOJR-GDLZYMKVSA-N	-1	2	517.509	4.449	1	30		KIEFLM
COc1cc(O)c2c(c1C(=O)NCc1c(C)cc(F)c3ccccc31)OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]21C	ZINC000101510971	562811113	/nfs/dbraw/zinc/81/11/13/562811113.db2.gz	FUOVOICVCWCOJR-GDLZYMKVSA-N	-1	2	517.509	4.449	1	30		KIEFLM
COc1cc(O)c2c(c1C(=O)NCc1c(C)cc(F)c3ccccc31)OC1=CC(=O)C(C(C)=O)=C([O-])[C@@]21C	ZINC000101510971	562811112	/nfs/dbraw/zinc/81/11/12/562811112.db2.gz	FUOVOICVCWCOJR-GDLZYMKVSA-N	-1	2	517.509	4.449	1	30		KIEFLM
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3cc(F)ccc31)OC1=CC([O-])=C(C(C)=O)C(=O)[C@@]21C	ZINC000101510972	562811096	/nfs/dbraw/zinc/81/10/96/562811096.db2.gz	OTURQPLSERVJKK-GDLZYMKVSA-N	-1	2	517.509	4.449	1	30		KIEFLM
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3cc(F)ccc31)OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]21C	ZINC000101510972	562811095	/nfs/dbraw/zinc/81/10/95/562811095.db2.gz	OTURQPLSERVJKK-GDLZYMKVSA-N	-1	2	517.509	4.449	1	30		KIEFLM
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3cc(F)ccc31)OC1=CC(=O)C(C(C)=O)=C([O-])[C@@]21C	ZINC000101510972	562811094	/nfs/dbraw/zinc/81/10/94/562811094.db2.gz	OTURQPLSERVJKK-GDLZYMKVSA-N	-1	2	517.509	4.449	1	30		KIEFLM
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3ccc(F)cc31)OC1=CC([O-])=C(C(C)=O)C(=O)[C@@]21C	ZINC000101510973	562811102	/nfs/dbraw/zinc/81/11/02/562811102.db2.gz	CELVEDJSTQOXQD-GDLZYMKVSA-N	-1	2	517.509	4.449	1	30		KIEFLM
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3ccc(F)cc31)OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]21C	ZINC000101510973	562811101	/nfs/dbraw/zinc/81/11/01/562811101.db2.gz	CELVEDJSTQOXQD-GDLZYMKVSA-N	-1	2	517.509	4.449	1	30		KIEFLM
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3ccc(F)cc31)OC1=CC(=O)C(C(C)=O)=C([O-])[C@@]21C	ZINC000101510973	562811100	/nfs/dbraw/zinc/81/11/00/562811100.db2.gz	CELVEDJSTQOXQD-GDLZYMKVSA-N	-1	2	517.509	4.449	1	30		KIEFLM
O=S(=O)(c1ccc2c(c1)C(=N[O-])c1cc(S(=O)(=O)N3CCCCCCC3)ccc1C2=NO)N1CCCCCCC1	ZINC000113025751	562826106	/nfs/dbraw/zinc/82/61/06/562826106.db2.gz	JVFKNQIAISIXPI-UHFFFAOYSA-N	-1	2	588.752	4.363	1	30		KIEFLM
CC(=O)OC[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4C(=O)C[C@@H](C)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)O5)c(O)c3C([O-])=C1C(=O)C[C@@H](C)[C@H]2OC(C)=O	ZINC000150346957	562843224	/nfs/dbraw/zinc/84/32/24/562843224.db2.gz	LYWOIRXBEDUAPM-ACMZUNAXSA-N	-1	2	750.706	4.086	1	30	in-vitro	KIEFLM
CCCCC(=O)OCC(=O)C1=Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000169313807	562855670	/nfs/dbraw/zinc/85/56/70/562855670.db2.gz	ZWQWNWVWRPWJGM-KDCSTBCASA-N	-1	2	755.642	4.207	1	30		KIEFLM
CCc1nnc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[nH]n(-c4cccc(Cl)c4)c3=O)cc2)s1	ZINC000169325497	562857618	/nfs/dbraw/zinc/85/76/18/562857618.db2.gz	CBGIFYIBZVRNHM-FSJBWODESA-N	-1	2	503.009	4.093	1	30		KIEFLM
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])=NN=c1[nH]c2c(s1)CS(=O)(=O)c1c(Cl)c(Cl)ccc1-2	ZINC000169348604	562862344	/nfs/dbraw/zinc/86/23/44/562862344.db2.gz	XFHCZTXGFWNUAY-FSJBWODESA-N	-1	2	527.367	4.408	1	30		KIEFLM
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])N=Nc1nc2c(s1)CS(=O)(=O)c1c(Cl)c(Cl)ccc1-2	ZINC000169348604	562862343	/nfs/dbraw/zinc/86/23/43/562862343.db2.gz	XFHCZTXGFWNUAY-FSJBWODESA-N	-1	2	527.367	4.408	1	30		KIEFLM
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])=NN=c1[nH]c2c(s1)CS(=O)(=O)c1c(Cl)c(Cl)ccc1-2	ZINC000169348605	562862327	/nfs/dbraw/zinc/86/23/27/562862327.db2.gz	XFHCZTXGFWNUAY-FMCGGJTJSA-N	-1	2	527.367	4.408	1	30		KIEFLM
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])N=Nc1nc2c(s1)CS(=O)(=O)c1c(Cl)c(Cl)ccc1-2	ZINC000169348605	562862326	/nfs/dbraw/zinc/86/23/26/562862326.db2.gz	XFHCZTXGFWNUAY-FMCGGJTJSA-N	-1	2	527.367	4.408	1	30		KIEFLM
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])=NN=c1[nH]c2c(s1)CS(=O)(=O)c1cc(Cl)c(Cl)cc1-2	ZINC000169348606	562862332	/nfs/dbraw/zinc/86/23/32/562862332.db2.gz	WXEUUGWVBOMIAM-YDZHTSKRSA-N	-1	2	527.367	4.408	1	30		KIEFLM
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])N=Nc1nc2c(s1)CS(=O)(=O)c1cc(Cl)c(Cl)cc1-2	ZINC000169348606	562862331	/nfs/dbraw/zinc/86/23/31/562862331.db2.gz	WXEUUGWVBOMIAM-YDZHTSKRSA-N	-1	2	527.367	4.408	1	30		KIEFLM
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])=NN=c1[nH]c2c(s1)CS(=O)(=O)c1cc(Cl)c(Cl)cc1-2	ZINC000169348607	562862361	/nfs/dbraw/zinc/86/23/61/562862361.db2.gz	WXEUUGWVBOMIAM-QRVIBDJDSA-N	-1	2	527.367	4.408	1	30		KIEFLM
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])N=Nc1nc2c(s1)CS(=O)(=O)c1cc(Cl)c(Cl)cc1-2	ZINC000169348607	562862360	/nfs/dbraw/zinc/86/23/60/562862360.db2.gz	WXEUUGWVBOMIAM-QRVIBDJDSA-N	-1	2	527.367	4.408	1	30		KIEFLM
COc1c(C)c(O)c2c(c1C(=O)CSc1nc3ccccc3o1)OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]21C	ZINC000299840536	562888579	/nfs/dbraw/zinc/88/85/79/562888579.db2.gz	VIIKBGOIFOMJMM-AREMUKBSSA-N	-1	2	507.520	4.343	1	30		KIEFLM
COc1c(C)c(O)c2c(c1C(=O)CSc1nc3ccccc3o1)OC1=CC(=O)C(C(C)=O)=C([O-])[C@@]21C	ZINC000299840536	562888578	/nfs/dbraw/zinc/88/85/78/562888578.db2.gz	VIIKBGOIFOMJMM-AREMUKBSSA-N	-1	2	507.520	4.343	1	30		KIEFLM
COc1c(C)c(O)c2c(c1C(=O)CSc1nc3ccccc3o1)OC1=CC([O-])=C(C(C)=O)C(=O)[C@@]21C	ZINC000299840536	562888577	/nfs/dbraw/zinc/88/85/77/562888577.db2.gz	VIIKBGOIFOMJMM-AREMUKBSSA-N	-1	2	507.520	4.343	1	30		KIEFLM
COc1ccc([N-]S(=O)(=O)c2ccc(N=C3C=C(Nc4ccc(S(=O)(=O)Nc5ccc(OC)nn5)cc4)C(=O)c4ccccc43)cc2)nn1	ZINC000377841309	562896289	/nfs/dbraw/zinc/89/62/89/562896289.db2.gz	KFWYKLOUGANEIT-UHFFFAOYSA-N	-1	2	698.743	4.307	1	30		KIEFLM
CCCCCCCCCCCCOCc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000473145842	562901324	/nfs/dbraw/zinc/90/13/24/562901324.db2.gz	BNWLPFPUKVHYFR-XUVXKRRUSA-N	-1	2	531.547	4.462	1	30		KIEFLM
CCCCCCCCCCCCOCc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000473145842	562901323	/nfs/dbraw/zinc/90/13/23/562901323.db2.gz	BNWLPFPUKVHYFR-XUVXKRRUSA-N	-1	2	531.547	4.462	1	30		KIEFLM
CC1(C)CCCN(S(=O)(=O)c2ccc3c(c2)C(=N[O-])c2cc(S(=O)(=O)N4CCCC(C)(C)C4)ccc2C3=NO)C1	ZINC000474609948	562905756	/nfs/dbraw/zinc/90/57/56/562905756.db2.gz	XVJVGXSZROFNRR-UHFFFAOYSA-N	-1	2	588.752	4.075	1	30		KIEFLM