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-])CN(CC(=O)[O-])[C@@H]1CCCC[C@H]1N(CC(=O)[O-])CC(=O)[O-]	ZINC000019202633	376001720	/nfs/dbraw/zinc/00/17/20/376001720.db2.gz	FCKYPQBAHLOOJQ-NXEZZACHSA-N	-4	3	346.336	-0.760	50	0		EBAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C(=O)OC)cc3)c(=O)c1-2	ZINC000100166170	381991226	/nfs/dbraw/zinc/99/12/26/381991226.db2.gz	QJGQQUSONIQTGS-GHMZBOCLSA-N	-2	3	345.311	-0.147	50	0		EBAAHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C)o1	ZINC000262907948	379001789	/nfs/dbraw/zinc/00/17/89/379001789.db2.gz	RKVVKZYAQYMERQ-SECBINFHSA-N	-2	3	332.334	-0.578	50	0		EBAAHL
C[N-]S(=O)(=O)c1ncccc1[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000585129213	1128139106	/nfs/dbraw/zinc/13/91/06/1128139106.db2.gz	BRSVGLXYOLGKKU-UHFFFAOYSA-N	-2	3	345.406	-0.168	50	0		EBAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc(C(C)=O)ccc3OC)c(=O)c1-2	ZINC000100568141	376050432	/nfs/dbraw/zinc/05/04/32/376050432.db2.gz	FLIQIBZLDYQWRX-VXGBXAGGSA-N	-2	3	345.311	-0.112	50	0		EBAAHL
O=C([O-])C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)CCO1	ZINC000262692968	154244558	/nfs/dbraw/zinc/24/45/58/154244558.db2.gz	AMRMBVGJXLWQJN-SECBINFHSA-N	-2	3	348.402	-0.272	50	0		EBAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc(OC)ccc3OC)c(=O)c1-2	ZINC000004852585	376711957	/nfs/dbraw/zinc/71/19/57/376711957.db2.gz	NQGHPPCPHMBYPL-WDEREUQCSA-N	-2	3	333.300	-0.306	50	0		EBAAHL
Cc1nc(C)c(CC(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])c(=O)[n-]1	ZINC000219919804	378460022	/nfs/dbraw/zinc/46/00/22/378460022.db2.gz	NJOZDVVVTMTYOC-NEPJUHHUSA-N	-2	3	339.348	-0.696	50	0		EBAAHL
COC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)cc1	ZINC000004270312	379735080	/nfs/dbraw/zinc/73/50/80/379735080.db2.gz	WWEPQTCIHYZIER-UHFFFAOYSA-N	-2	3	325.302	-0.349	50	0		EBAAHL
C[C@@H](O)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000330600706	155291590	/nfs/dbraw/zinc/29/15/90/155291590.db2.gz	VFIILHFPEQXBLZ-SSDOTTSWSA-N	-2	3	326.371	-0.144	50	0		EBAAHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])c(C)o1	ZINC000262747525	154245591	/nfs/dbraw/zinc/24/55/91/154245591.db2.gz	HZSRBPTVZYMCQM-VIFPVBQESA-N	-2	3	332.334	-0.578	50	0		EBAAHL
C[C@@]1(c2ccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000262964480	154251597	/nfs/dbraw/zinc/25/15/97/154251597.db2.gz	KRZQLCXIIXRPDX-BZNIZROVSA-N	-2	3	347.327	-0.333	50	0		EBAAHL
C[C@@]1(c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000262964492	154251018	/nfs/dbraw/zinc/25/10/18/154251018.db2.gz	KRZQLCXIIXRPDX-ZBEGNZNMSA-N	-2	3	347.327	-0.333	50	0		EBAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc(OC)ccc3OC)c(=O)c1-2	ZINC000100559233	376050554	/nfs/dbraw/zinc/05/05/54/376050554.db2.gz	NQGHPPCPHMBYPL-MNOVXSKESA-N	-2	3	333.300	-0.306	50	0		EBAAHL
Cn1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c(=O)[n-]c1=O	ZINC000217112744	378420467	/nfs/dbraw/zinc/42/04/67/378420467.db2.gz	MSKUOIYKMIKONO-LBPRGKRZSA-N	-2	3	329.312	-0.275	50	0		EBAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(OC)cc3OC)c(=O)c1-2	ZINC000017836776	379113059	/nfs/dbraw/zinc/11/30/59/379113059.db2.gz	QDNXWUUKSPWKFV-GHMZBOCLSA-N	-2	3	333.300	-0.306	50	0		EBAAHL
CC(C)[C@H]([N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O)c1ncnn1C	ZINC000534654508	380588963	/nfs/dbraw/zinc/58/89/63/380588963.db2.gz	MYRDTLWOYXIERT-QMMMGPOBSA-N	-2	3	328.354	-0.308	50	0		EBAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(OC)cc3)c(=O)c1-2	ZINC000096297343	420937731	/nfs/dbraw/zinc/93/77/31/420937731.db2.gz	RJRDKSHVBAXIAA-DGCLKSJQSA-N	-2	3	345.311	-0.056	50	0		EBAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(OC)cc3)c(=O)c1-2	ZINC000018143363	290928187	/nfs/dbraw/zinc/92/81/87/290928187.db2.gz	RJRDKSHVBAXIAA-WCQYABFASA-N	-2	3	345.311	-0.056	50	0		EBAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C(=O)OC)cc3)c(=O)c1-2	ZINC000100885278	376065898	/nfs/dbraw/zinc/06/58/98/376065898.db2.gz	JGWQYRVRRNMSLB-ZJUUUORDSA-N	-2	3	331.284	-0.537	50	0		EBAAHL
C[C@H](Sc1nnn[n-]1)C1=C(C(=O)[O-])N2C(=O)[C@H](N)[C@@H]2SC1	ZINC000059530303	376188656	/nfs/dbraw/zinc/18/86/56/376188656.db2.gz	RPJZSXOGLIEASY-CQOAIJAQSA-N	-2	3	328.379	-0.739	50	0		EBAAHL
C[C@H](Sc1nn[n-]n1)C1=C(C(=O)[O-])N2C(=O)[C@H](N)[C@@H]2SC1	ZINC000059530303	376188657	/nfs/dbraw/zinc/18/86/57/376188657.db2.gz	RPJZSXOGLIEASY-CQOAIJAQSA-N	-2	3	328.379	-0.739	50	0		EBAAHL
C[C@]1(c2ccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000262964475	154251824	/nfs/dbraw/zinc/25/18/24/154251824.db2.gz	KRZQLCXIIXRPDX-BDJLRTHQSA-N	-2	3	347.327	-0.333	50	0		EBAAHL
O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)CN3CC(=O)[N-]C3=O)C2)n1	ZINC000426510339	420514290	/nfs/dbraw/zinc/51/42/90/420514290.db2.gz	PAVGEKGQWQEPOZ-JTQLQIEISA-N	-2	3	349.347	-0.775	50	0		EBAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc(OC)ccc3OC)c(=O)c1-2	ZINC000100559235	219101802	/nfs/dbraw/zinc/10/18/02/219101802.db2.gz	NQGHPPCPHMBYPL-QWRGUYRKSA-N	-2	3	333.300	-0.306	50	0		EBAAHL
COCCNC(=O)c1[n-]nnc1[N-]S(=O)(=O)c1ccccc1	ZINC000003767185	210073035	/nfs/dbraw/zinc/07/30/35/210073035.db2.gz	BCKTXUXJILBRPA-UHFFFAOYSA-N	-2	3	325.350	-0.018	50	0		EBAAHL
COc1cc([N-]S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)cc(OC)c1	ZINC000005329154	377153770	/nfs/dbraw/zinc/15/37/70/377153770.db2.gz	VFWPVSWBPOYZBM-UHFFFAOYSA-N	-2	3	327.318	-0.119	50	0		EBAAHL
N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(=O)[O-])c1=O)C(=O)[O-]	ZINC000003996041	418942779	/nfs/dbraw/zinc/94/27/79/418942779.db2.gz	UUIYULWYHDSXHL-NSHDSACASA-N	-2	3	333.300	-0.832	50	0	in-vivo	EBAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C(=O)OC)cc3)c(=O)c1-2	ZINC000100885284	219110522	/nfs/dbraw/zinc/11/05/22/219110522.db2.gz	JGWQYRVRRNMSLB-UWVGGRQHSA-N	-2	3	331.284	-0.537	50	0		EBAAHL
O=C([O-])C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)CCO1	ZINC000262692969	154244421	/nfs/dbraw/zinc/24/44/21/154244421.db2.gz	AMRMBVGJXLWQJN-VIFPVBQESA-N	-2	3	348.402	-0.272	50	0		EBAAHL
O=c1[n-]c(=O)c(C2=C3C(=O)NC(=O)N[C@H]3Oc3ccccc32)c([O-])[nH]1	ZINC000005685304	377460353	/nfs/dbraw/zinc/46/03/53/377460353.db2.gz	ZXVGHNUGEZIJAV-ZDUSSCGKSA-N	-2	3	342.267	-0.179	50	0		EBAAHL
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C[C@H]1NC(=O)[N-]C1=O	ZINC000042849195	380005304	/nfs/dbraw/zinc/00/53/04/380005304.db2.gz	DVLBOJSAXDMCJQ-SSDOTTSWSA-N	-2	3	335.345	-0.459	50	0		EBAAHL
CC(=O)Nc1c([O-])nc(SCC(=O)Nc2cc(C)on2)[n-]c1=O	ZINC000002751203	375888291	/nfs/dbraw/zinc/88/82/91/375888291.db2.gz	KHDWPIJTTJYGOZ-UHFFFAOYSA-N	-2	3	339.333	-0.828	50	0		EBAAHL
COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(=O)[n-]c1=O	ZINC000003142471	375890258	/nfs/dbraw/zinc/89/02/58/375890258.db2.gz	ADTZLKSIEGUECW-UHFFFAOYSA-N	-2	3	339.329	-0.041	50	0		EBAAHL
C[C@H](Sc1nnn[n-]1)C1=C(C(=O)[O-])N2C(=O)[C@@H](N)[C@@H]2SC1	ZINC000059530301	376188716	/nfs/dbraw/zinc/18/87/16/376188716.db2.gz	RPJZSXOGLIEASY-AFUHVDPCSA-N	-2	3	328.379	-0.739	50	0		EBAAHL
C[C@H](Sc1nn[n-]n1)C1=C(C(=O)[O-])N2C(=O)[C@@H](N)[C@@H]2SC1	ZINC000059530301	376188718	/nfs/dbraw/zinc/18/87/18/376188718.db2.gz	RPJZSXOGLIEASY-AFUHVDPCSA-N	-2	3	328.379	-0.739	50	0		EBAAHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(C)o1	ZINC000262907956	379002080	/nfs/dbraw/zinc/00/20/80/379002080.db2.gz	RKVVKZYAQYMERQ-VIFPVBQESA-N	-2	3	332.334	-0.578	50	0		EBAAHL
Cc1c([O-])ccc2c(CC(=O)NCC(=O)NCC(=O)[O-])cc(=O)oc12	ZINC000002098550	379778357	/nfs/dbraw/zinc/77/83/57/379778357.db2.gz	WWZFMOLQNXRERY-UHFFFAOYSA-N	-2	3	348.311	-0.333	50	0	biogenic	EBAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C(=O)OC)cc3)c(=O)c1-2	ZINC000100166164	219093410	/nfs/dbraw/zinc/09/34/10/219093410.db2.gz	QJGQQUSONIQTGS-WDEREUQCSA-N	-2	3	345.311	-0.147	50	0		EBAAHL
CC(=O)Nc1c([O-])nc(SCC(=O)Nc2ccccc2)[n-]c1=O	ZINC000000110228	376612228	/nfs/dbraw/zinc/61/22/28/376612228.db2.gz	CHARSJUJJHQWLK-UHFFFAOYSA-N	-2	3	334.357	-0.125	50	0		EBAAHL
O=c1[n-]c(=O)c(C2=C3C(=O)NC(=O)N[C@@H]3Oc3ccccc32)c([O-])[nH]1	ZINC000005685303	377460104	/nfs/dbraw/zinc/46/01/04/377460104.db2.gz	ZXVGHNUGEZIJAV-CYBMUJFWSA-N	-2	3	342.267	-0.179	50	0		EBAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(OC)cc3OC)c(=O)c1-2	ZINC000100639783	219103261	/nfs/dbraw/zinc/10/32/61/219103261.db2.gz	QDNXWUUKSPWKFV-QWRGUYRKSA-N	-2	3	333.300	-0.306	50	0		EBAAHL
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000003152690	375889880	/nfs/dbraw/zinc/88/98/80/375889880.db2.gz	BMFHDLCYANDJQQ-UHFFFAOYSA-N	-2	3	325.302	-0.129	50	0	biogenic,in-vitro	EBAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C(=O)OC)cc3)c(=O)c1-2	ZINC000000522815	377471014	/nfs/dbraw/zinc/47/10/14/377471014.db2.gz	QJGQQUSONIQTGS-MNOVXSKESA-N	-2	3	345.311	-0.147	50	0		EBAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(OC)cc3OC)c(=O)c1-2	ZINC000100639785	219103530	/nfs/dbraw/zinc/10/35/30/219103530.db2.gz	QDNXWUUKSPWKFV-WDEREUQCSA-N	-2	3	333.300	-0.306	50	0		EBAAHL
Cc1c(C)[n+]([O-])c([C@H](c2c([O-])[nH]c(=O)[n-]c2=O)C(C)C)n1CCO	ZINC000524735150	420524186	/nfs/dbraw/zinc/52/41/86/420524186.db2.gz	ZZYAQUBPXXFGCI-JTQLQIEISA-N	-2	3	338.364	-0.548	50	0		EBAAHL
CC(C)(C)c1ncc(C(=O)NCCc2nc(N)cc(=O)[n-]2)c(=O)[n-]1	ZINC000082147163	376372578	/nfs/dbraw/zinc/37/25/78/376372578.db2.gz	WJEAVSGHHJYFBI-UHFFFAOYSA-N	-2	3	332.364	-0.295	50	0		EBAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C(=O)OC)cc3)c(=O)c1-2	ZINC000100166167	219093688	/nfs/dbraw/zinc/09/36/88/219093688.db2.gz	QJGQQUSONIQTGS-QWRGUYRKSA-N	-2	3	345.311	-0.147	50	0		EBAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(OC)cc3OC)c(=O)c1-2	ZINC000100639781	219103734	/nfs/dbraw/zinc/10/37/34/219103734.db2.gz	QDNXWUUKSPWKFV-MNOVXSKESA-N	-2	3	333.300	-0.306	50	0		EBAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(OC)cc3)c(=O)c1-2	ZINC000096297345	290928218	/nfs/dbraw/zinc/92/82/18/290928218.db2.gz	RJRDKSHVBAXIAA-AAEUAGOBSA-N	-2	3	345.311	-0.056	50	0		EBAAHL
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C[C@@H]1NC(=O)[N-]C1=O	ZINC000042849197	375912425	/nfs/dbraw/zinc/91/24/25/375912425.db2.gz	DVLBOJSAXDMCJQ-ZETCQYMHSA-N	-2	3	335.345	-0.459	50	0		EBAAHL
C[C@@H](Sc1nnn[n-]1)C1=C(C(=O)[O-])N2C(=O)[C@@H](N)[C@@H]2SC1	ZINC000059530302	376188551	/nfs/dbraw/zinc/18/85/51/376188551.db2.gz	RPJZSXOGLIEASY-KJXONACHSA-N	-2	3	328.379	-0.739	50	0		EBAAHL
C[C@@H](Sc1nn[n-]n1)C1=C(C(=O)[O-])N2C(=O)[C@@H](N)[C@@H]2SC1	ZINC000059530302	376188556	/nfs/dbraw/zinc/18/85/56/376188556.db2.gz	RPJZSXOGLIEASY-KJXONACHSA-N	-2	3	328.379	-0.739	50	0		EBAAHL
O=C([O-])[C@H]1CCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000269079509	377068468	/nfs/dbraw/zinc/06/84/68/377068468.db2.gz	CRKSRIGFADEAOX-SSDOTTSWSA-N	-2	3	346.137	-0.213	50	0		EBAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C(=O)OC)cc3)c(=O)c1-2	ZINC000004893448	210315155	/nfs/dbraw/zinc/31/51/55/210315155.db2.gz	JGWQYRVRRNMSLB-VHSXEESVSA-N	-2	3	331.284	-0.537	50	0		EBAAHL
COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)cc1	ZINC000033327150	376408116	/nfs/dbraw/zinc/40/81/16/376408116.db2.gz	YOHIDKWFDHPIEY-UHFFFAOYSA-N	-2	3	339.329	-0.041	50	0		EBAAHL
CC(=O)Nc1c([O-])nc(SCC(=O)NCc2ccccc2)[n-]c1=O	ZINC000000110245	376612195	/nfs/dbraw/zinc/61/21/95/376612195.db2.gz	KIRUWFGTSPCTNY-UHFFFAOYSA-N	-2	3	348.384	-0.447	50	0		EBAAHL
COC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000005329136	377154400	/nfs/dbraw/zinc/15/44/00/377154400.db2.gz	PLWCVGJOOHELHZ-UHFFFAOYSA-N	-2	3	325.302	-0.349	50	0		EBAAHL
C[C@]1(c2ccc(S(=O)(=O)NCC(=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000003355867	210017157	/nfs/dbraw/zinc/01/71/57/210017157.db2.gz	BKYCTWNCTGISME-GFCCVEGCSA-N	-2	3	327.318	-0.896	50	0		EBAAHL
O=C([O-])CN(CC(=O)[O-])[C@H]1CCCC[C@@H]1N(CC(=O)[O-])CC(=O)[O-]	ZINC000019798475	212070001	/nfs/dbraw/zinc/07/00/01/212070001.db2.gz	FCKYPQBAHLOOJQ-UWVGGRQHSA-N	-4	3	346.336	-0.760	50	0		EBAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(OC)cc3)c(=O)c1-2	ZINC000096297344	420938420	/nfs/dbraw/zinc/93/84/20/420938420.db2.gz	RJRDKSHVBAXIAA-YPMHNXCESA-N	-2	3	345.311	-0.056	50	0		EBAAHL
C[C@@]1(c2ccc(S(=O)(=O)NCC(=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000003355869	210016195	/nfs/dbraw/zinc/01/61/95/210016195.db2.gz	BKYCTWNCTGISME-LBPRGKRZSA-N	-2	3	327.318	-0.896	50	0		EBAAHL
O=C([O-])[C@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1	ZINC000269206711	377066677	/nfs/dbraw/zinc/06/66/77/377066677.db2.gz	UJRDNFOCYXQGQL-LURJTMIESA-N	-2	3	346.137	-0.356	50	0		EBAAHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c(C)o1	ZINC000262747523	154245863	/nfs/dbraw/zinc/24/58/63/154245863.db2.gz	HZSRBPTVZYMCQM-SECBINFHSA-N	-2	3	332.334	-0.578	50	0		EBAAHL
O=C([O-])Cn1ccc([C@@H]2CCCN(C(=O)CN3CC(=O)[N-]C3=O)C2)n1	ZINC000426510348	420514829	/nfs/dbraw/zinc/51/48/29/420514829.db2.gz	PAVGEKGQWQEPOZ-SNVBAGLBSA-N	-2	3	349.347	-0.775	50	0		EBAAHL
Cc1c(C)[n+]([O-])c([C@@H](c2c([O-])[nH]c(=O)[n-]c2=O)C(C)C)n1CCO	ZINC000524735151	420523821	/nfs/dbraw/zinc/52/38/21/420523821.db2.gz	ZZYAQUBPXXFGCI-SNVBAGLBSA-N	-2	3	338.364	-0.548	50	0		EBAAHL
C[C@@H](Sc1nnn[n-]1)C1=C(C(=O)[O-])N2C(=O)[C@H](N)[C@@H]2SC1	ZINC000059530304	376188291	/nfs/dbraw/zinc/18/82/91/376188291.db2.gz	RPJZSXOGLIEASY-CZVAIAQUSA-N	-2	3	328.379	-0.739	50	0		EBAAHL
C[C@@H](Sc1nn[n-]n1)C1=C(C(=O)[O-])N2C(=O)[C@H](N)[C@@H]2SC1	ZINC000059530304	376188295	/nfs/dbraw/zinc/18/82/95/376188295.db2.gz	RPJZSXOGLIEASY-CZVAIAQUSA-N	-2	3	328.379	-0.739	50	0		EBAAHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1COCC[C@@H]1OCC(=O)[O-]	ZINC000218999373	378445397	/nfs/dbraw/zinc/44/53/97/378445397.db2.gz	JIDWVSDGXLDDMY-ZJUUUORDSA-N	-2	3	334.350	-0.172	50	0		EBAAHL
COC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)c1	ZINC000033330687	376413200	/nfs/dbraw/zinc/41/32/00/376413200.db2.gz	WRTZAFNRVNMSRW-UHFFFAOYSA-N	-2	3	325.302	-0.349	50	0		EBAAHL
O=C([O-])[C@@H]1CCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000262684383	376793672	/nfs/dbraw/zinc/79/36/72/376793672.db2.gz	CRKSRIGFADEAOX-ZETCQYMHSA-N	-2	3	346.137	-0.213	50	0		EBAAHL
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000091707399	218050855	/nfs/dbraw/zinc/05/08/55/218050855.db2.gz	NPNULJIDXWQMJO-QMMMGPOBSA-N	-2	3	349.372	-0.069	50	0		EBAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc(C(C)=O)ccc3OC)c(=O)c1-2	ZINC000004889393	210312562	/nfs/dbraw/zinc/31/25/62/210312562.db2.gz	FLIQIBZLDYQWRX-NWDGAFQWSA-N	-2	3	345.311	-0.112	50	0		EBAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C(=O)OC)cc3)c(=O)c1-2	ZINC000100885292	219109879	/nfs/dbraw/zinc/10/98/79/219109879.db2.gz	JGWQYRVRRNMSLB-NXEZZACHSA-N	-2	3	331.284	-0.537	50	0		EBAAHL
Cn1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c(=O)[n-]c1=O	ZINC000217112728	378420064	/nfs/dbraw/zinc/42/00/64/378420064.db2.gz	MSKUOIYKMIKONO-GFCCVEGCSA-N	-2	3	329.312	-0.275	50	0		EBAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc(C(C)=O)ccc3OC)c(=O)c1-2	ZINC000100568136	219101747	/nfs/dbraw/zinc/10/17/47/219101747.db2.gz	FLIQIBZLDYQWRX-NEPJUHHUSA-N	-2	3	345.311	-0.112	50	0		EBAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc(OC)ccc3OC)c(=O)c1-2	ZINC000100559237	219101776	/nfs/dbraw/zinc/10/17/76/219101776.db2.gz	NQGHPPCPHMBYPL-GHMZBOCLSA-N	-2	3	333.300	-0.306	50	0		EBAAHL
O=C([O-])CN(CC(=O)[O-])[C@@H]1CCCC[C@@H]1N(CC(=O)[O-])CC(=O)[O-]	ZINC000019202636	304066080	/nfs/dbraw/zinc/06/60/80/304066080.db2.gz	FCKYPQBAHLOOJQ-AOOOYVTPSA-N	-4	3	346.336	-0.760	50	0		EBAAHL
O=C([O-])[C@@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1	ZINC000269206712	377068101	/nfs/dbraw/zinc/06/81/01/377068101.db2.gz	UJRDNFOCYXQGQL-ZCFIWIBFSA-N	-2	3	346.137	-0.356	50	0		EBAAHL
C[C@]1(c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000262964484	154251583	/nfs/dbraw/zinc/25/15/83/154251583.db2.gz	KRZQLCXIIXRPDX-MEDUHNTESA-N	-2	3	347.327	-0.333	50	0		EBAAHL
O=c1[n-]cnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1	ZINC000013522804	375974081	/nfs/dbraw/zinc/97/40/81/375974081.db2.gz	PHNGFPPXDJJADG-RRKCRQDMSA-N	-3	3	332.209	-0.710	50	0	endogenous,in-man	EBAAHL
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000091707396	218051640	/nfs/dbraw/zinc/05/16/40/218051640.db2.gz	NPNULJIDXWQMJO-MRVPVSSYSA-N	-2	3	349.372	-0.069	50	0		EBAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc(C(C)=O)ccc3OC)c(=O)c1-2	ZINC000100568139	219101796	/nfs/dbraw/zinc/10/17/96/219101796.db2.gz	FLIQIBZLDYQWRX-RYUDHWBXSA-N	-2	3	345.311	-0.112	50	0		EBAAHL
CC(C)[C@@H]([N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O)c1ncnn1C	ZINC000534654507	380588656	/nfs/dbraw/zinc/58/86/56/380588656.db2.gz	MYRDTLWOYXIERT-MRVPVSSYSA-N	-2	3	328.354	-0.308	50	0		EBAAHL