smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000001529323	194127510	/nfs/dbraw/zinc/12/75/10/194127510.db2.gz	FBOZXECLQNJBKD-ZDUSSCGKSA-N	-2	0	454.447	0.268	50	0	biogenic,fda	JCAARL
O=C([O-])c1ccc(N2C(=O)C[C@@H](N(O)[C@H]3CC(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)C2=O)cc1	ZINC000002394055	554181081	/nfs/dbraw/zinc/18/10/81/554181081.db2.gz	OAYUHJAWOVHHHT-IYBDPMFKSA-N	-2	0	467.390	0.738	50	0		JCAARL
O=C([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)[O-])cc3)CC2)cc1	ZINC000002453230	554220171	/nfs/dbraw/zinc/22/01/71/554220171.db2.gz	PBBUHICFYGIBIM-UHFFFAOYSA-N	-2	0	454.482	0.778	50	0		JCAARL
Nc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[N-]S(=O)(=O)c2ccc(N)cc2)cc1	ZINC000002689496	554285073	/nfs/dbraw/zinc/28/50/73/554285073.db2.gz	RTBQBHLPZCFLKW-UHFFFAOYSA-N	-2	0	454.530	0.721	50	0		JCAARL
O=C([O-])CCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCCC(=O)[O-])ccc1-2	ZINC000002707513	554296321	/nfs/dbraw/zinc/29/63/21/554296321.db2.gz	WKFCSARRFIRMDV-UHFFFAOYSA-N	-2	0	482.492	0.404	50	0		JCAARL
O=C([O-])CCNS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCCC(=O)[O-])ccc1-2	ZINC000002876796	554399037	/nfs/dbraw/zinc/39/90/37/554399037.db2.gz	ACCCUFGLUBSMQA-UHFFFAOYSA-N	-2	0	468.509	0.764	50	0		JCAARL
O=C([O-])c1cc(-n2c(=O)c3cc4c(=O)n(-c5ccc(O)c(C(=O)[O-])c5)c(=O)c4cc3c2=O)ccc1O	ZINC000003143326	194231718	/nfs/dbraw/zinc/23/17/18/194231718.db2.gz	LZCZVJRLIAIMIR-UHFFFAOYSA-N	-2	0	488.364	0.698	50	0		JCAARL
C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N[C@@H](C)C(=O)[O-])ccc1-2)C(=O)[O-]	ZINC000003221555	194242681	/nfs/dbraw/zinc/24/26/81/194242681.db2.gz	YNKMTXLPOZEIES-UWVGGRQHSA-N	-2	0	482.492	0.401	50	0		JCAARL
C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N[C@@H](C)C(=O)[O-])ccc1-2)C(=O)[O-]	ZINC000003221556	194242652	/nfs/dbraw/zinc/24/26/52/194242652.db2.gz	YNKMTXLPOZEIES-AOOOYVTPSA-N	-2	0	482.492	0.401	50	0		JCAARL
C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N[C@H](C)C(=O)[O-])ccc1-2)C(=O)[O-]	ZINC000003221558	194242718	/nfs/dbraw/zinc/24/27/18/194242718.db2.gz	YNKMTXLPOZEIES-NXEZZACHSA-N	-2	0	482.492	0.401	50	0		JCAARL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000006920406	554562024	/nfs/dbraw/zinc/56/20/24/554562024.db2.gz	FBOZXECLQNJBKD-CYBMUJFWSA-N	-2	0	454.447	0.268	50	0	biogenic,in-man	JCAARL
Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])CC(=O)[O-])cc3)nc2c(=O)[nH]1	ZINC000008649206	527558772	/nfs/dbraw/zinc/55/87/72/527558772.db2.gz	RMYZNFFUDITZRM-LBPRGKRZSA-N	-2	0	455.431	0.758	50	0		JCAARL
C[C@H](NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)N[C@@H](C)C(=O)[O-])ccc1-2)C(=O)[O-]	ZINC000008700769	569593670	/nfs/dbraw/zinc/59/36/70/569593670.db2.gz	FLOJQRYEBZAWNW-QWRGUYRKSA-N	-2	0	468.509	0.761	50	0		JCAARL
C[C@@H](NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)N[C@@H](C)C(=O)[O-])ccc1-2)C(=O)[O-]	ZINC000008700770	569593698	/nfs/dbraw/zinc/59/36/98/569593698.db2.gz	FLOJQRYEBZAWNW-PHIMTYICSA-N	-2	0	468.509	0.761	50	0		JCAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)NCC(=O)[O-]	ZINC000008790310	554683566	/nfs/dbraw/zinc/68/35/66/554683566.db2.gz	WMAGDLPHMLGPPT-AWEZNQCLSA-N	-2	0	496.904	0.527	50	0	biogenic	JCAARL
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])CC2)C(C)C)cc1	ZINC000008918321	554814788	/nfs/dbraw/zinc/81/47/88/554814788.db2.gz	UWRCXFLYVGTCAN-HKUYNNGSSA-N	-2	0	497.570	0.581	50	0	biogenic	JCAARL
Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@@H](CCCC(=O)[O-])C(=O)[O-])cc1)N2C=O	ZINC000008997303	554858612	/nfs/dbraw/zinc/85/86/12/554858612.db2.gz	GOQSXAYRWFUXOD-KGLIPLIRSA-N	-2	0	487.473	0.071	50	0	biogenic	JCAARL
Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1)N2C=O	ZINC000008997304	554858551	/nfs/dbraw/zinc/85/85/51/554858551.db2.gz	GOQSXAYRWFUXOD-ZIAGYGMSSA-N	-2	0	487.473	0.071	50	0		JCAARL
Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCCC(=O)[O-])C(=O)[O-])cc1)N2C=O	ZINC000008997305	554858901	/nfs/dbraw/zinc/85/89/01/554858901.db2.gz	GOQSXAYRWFUXOD-KBPBESRZSA-N	-2	0	487.473	0.071	50	0		JCAARL
Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1)N2C=O	ZINC000008997306	554858975	/nfs/dbraw/zinc/85/89/75/554858975.db2.gz	GOQSXAYRWFUXOD-UONOGXRCSA-N	-2	0	487.473	0.071	50	0		JCAARL
CCOc1ccc2nc(C)cc(SC[C@H](NC(=O)CC[C@H](O)C(=O)[O-])C(=O)NCC(=O)[O-])c2c1	ZINC000009344575	555109865	/nfs/dbraw/zinc/10/98/65/555109865.db2.gz	XEYYOLYMCVAVFM-IRXDYDNUSA-N	-2	0	493.538	0.945	50	0		JCAARL
CCOc1ccc2nc(C)cc(SC[C@@H](NC(=O)CC[C@H](O)C(=O)[O-])C(=O)NCC(=O)[O-])c2c1	ZINC000009344578	194702264	/nfs/dbraw/zinc/70/22/64/194702264.db2.gz	XEYYOLYMCVAVFM-SJORKVTESA-N	-2	0	493.538	0.945	50	0		JCAARL
CCOc1ccc2nc(C)cc(SC[C@H](NC(=O)CC[C@@H](O)C(=O)[O-])C(=O)NCC(=O)[O-])c2c1	ZINC000009344579	194702191	/nfs/dbraw/zinc/70/21/91/194702191.db2.gz	XEYYOLYMCVAVFM-DLBZAZTESA-N	-2	0	493.538	0.945	50	0		JCAARL
CCOc1ccc2nc(C)cc(SC[C@@H](NC(=O)CC[C@@H](O)C(=O)[O-])C(=O)NCC(=O)[O-])c2c1	ZINC000009344581	555109847	/nfs/dbraw/zinc/10/98/47/555109847.db2.gz	XEYYOLYMCVAVFM-IAGOWNOFSA-N	-2	0	493.538	0.945	50	0		JCAARL
O=c1[nH]c([O-])c(S(=O)c2c([O-])[nH]c(=O)n(Cc3ccccc3)c2=O)c(=O)n1Cc1ccccc1	ZINC000009345168	555110952	/nfs/dbraw/zinc/11/09/52/555110952.db2.gz	XJQNTCLKCYLFSW-UHFFFAOYSA-N	-2	0	482.474	0.061	50	0		JCAARL
O=C([O-])c1ccc(O)c(-n2c(=O)c3cc4c(=O)n(-c5cc(C(=O)[O-])ccc5O)c(=O)c4cc3c2=O)c1	ZINC000009553364	555349352	/nfs/dbraw/zinc/34/93/52/555349352.db2.gz	ONIMEDRBKAGTTD-UHFFFAOYSA-N	-2	0	488.364	0.698	50	0		JCAARL
O=C([O-])C[C@H](SCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)[O-]	ZINC000009580827	555386832	/nfs/dbraw/zinc/38/68/32/555386832.db2.gz	QEKQGSIBICENOA-LBPRGKRZSA-N	-2	0	466.921	0.961	50	0		JCAARL
O=C([O-])C[C@@H](SCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)[O-]	ZINC000009580830	555386868	/nfs/dbraw/zinc/38/68/68/555386868.db2.gz	QEKQGSIBICENOA-GFCCVEGCSA-N	-2	0	466.921	0.961	50	0		JCAARL
C[C@@H](NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)N[C@H](C)C(=O)[O-])ccc1-2)C(=O)[O-]	ZINC000009640616	555350610	/nfs/dbraw/zinc/35/06/10/555350610.db2.gz	FLOJQRYEBZAWNW-GHMZBOCLSA-N	-2	0	468.509	0.761	50	0		JCAARL
O=C([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(C(=O)[O-])c3)CC2)c1	ZINC000012292358	555949187	/nfs/dbraw/zinc/94/91/87/555949187.db2.gz	NUPDZQLAVOYWCO-UHFFFAOYSA-N	-2	0	454.482	0.778	50	0		JCAARL
Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])O1	ZINC000012501706	527576042	/nfs/dbraw/zinc/57/60/42/527576042.db2.gz	OAKPWEUQDVLTCN-NKWVEPMBSA-N	-4	0	475.184	0.429	50	0	world	JCAARL
CC1=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1	ZINC000012654785	195077665	/nfs/dbraw/zinc/07/76/65/195077665.db2.gz	ASJLTPNECUQCIZ-GQWAEJPESA-N	-2	0	461.496	0.337	50	0	biogenic	JCAARL
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CC2)cc1	ZINC000012865613	195161299	/nfs/dbraw/zinc/16/12/99/195161299.db2.gz	CRTDTKPCZDBHQT-YOEHRIQHSA-N	-2	0	483.543	0.335	50	0	biogenic	JCAARL
COc1c(C)c2c(c(O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)c1C/C=C(\C)CCC(=O)[O-])C(=O)OC2	ZINC000013550000	521784073	/nfs/dbraw/zinc/78/40/73/521784073.db2.gz	BYFGTSAYQQIUCN-HGIHDBQLSA-N	-2	0	496.465	0.299	50	0	in-vitro	JCAARL
COc1cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4no[n+]([O-])c4c3)cc2)ncn1	ZINC000013688916	555582231	/nfs/dbraw/zinc/58/22/31/555582231.db2.gz	VKMIOGZSUSDHDV-UHFFFAOYSA-N	-2	0	478.468	0.861	50	0		JCAARL
COc1nccnc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3no[n+]([O-])c3c2)cc1	ZINC000013689292	555582575	/nfs/dbraw/zinc/58/25/75/555582575.db2.gz	NFEBBLDQYHXNDE-UHFFFAOYSA-N	-2	0	478.468	0.861	50	0		JCAARL
C[C@H]1O[C@@H](n2cnc3c2ncnc3N)C[C@@H]1O[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013829365	555629903	/nfs/dbraw/zinc/62/99/03/555629903.db2.gz	ZJGUOEYCABTFNH-DSYKOEDSSA-N	-4	0	475.184	0.428	50	0	in-vivo	JCAARL
O=C(CCN1C(=O)c2ccccc2C1=O)c1[n-][n-]c2c(O)n(-c3ccc4c(c3)OCCO4)c(=O)c1-2	ZINC000016037647	556119935	/nfs/dbraw/zinc/11/99/35/556119935.db2.gz	IBWIVIRJRUSRRV-UYAOXDASSA-N	-2	0	474.429	0.530	50	0		JCAARL
O=C(CCN1C(=O)c2ccccc2C1=O)c1[n-][n-]c2c(O)n(-c3ccc4c(c3)OCCO4)c(=O)c1-2	ZINC000016037648	556119959	/nfs/dbraw/zinc/11/99/59/556119959.db2.gz	IBWIVIRJRUSRRV-ICSRJNTNSA-N	-2	0	474.429	0.530	50	0		JCAARL
O=C([O-])CSc1nc([O-])c(C(c2ccccc2)C2C(=O)N=C(SCC(=O)[O-])NC2=O)c(=O)[nH]1	ZINC000016213710	527623258	/nfs/dbraw/zinc/62/32/58/527623258.db2.gz	WGBHYOKLGZHYKC-UHFFFAOYSA-N	-3	0	492.491	0.798	50	0		JCAARL
O=C(CCN1C(=O)c2ccccc2C1=O)c1[n-][n-]c2c(O)n(-c3ccc4c(c3)OCO4)c(=O)c1-2	ZINC000018066102	556282232	/nfs/dbraw/zinc/28/22/32/556282232.db2.gz	NQEQQKIHDQKEKX-MJGOQNOKSA-N	-2	0	460.402	0.488	50	0		JCAARL
CC(=O)c1ccc(-n2c(O)c3[n-][n-]c(C(=O)CCN4C(=O)c5ccccc5C4=O)c-3c2=O)cc1	ZINC000018193852	556301903	/nfs/dbraw/zinc/30/19/03/556301903.db2.gz	YTCFAKPNWDJSQD-QUCCMNQESA-N	-2	0	458.430	0.962	50	0		JCAARL
O=C([O-])c1ccc(N2C(=O)C[C@H](N(O)[C@H]3CC(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)C2=O)cc1	ZINC000018203157	556309308	/nfs/dbraw/zinc/30/93/08/556309308.db2.gz	OAYUHJAWOVHHHT-HOTGVXAUSA-N	-2	0	467.390	0.738	50	0		JCAARL
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000027025426	556272540	/nfs/dbraw/zinc/27/25/40/556272540.db2.gz	NNKPCKYPYAXYCF-UHFFFAOYSA-N	-2	0	469.526	0.726	50	0		JCAARL
O=P([O-])([O-])c1ccccc1NCCOCCOCCNc1ccccc1P(=O)([O-])[O-]	ZINC000027569602	556297879	/nfs/dbraw/zinc/29/78/79/556297879.db2.gz	ATHRTJRCARWFCI-UHFFFAOYSA-N	-4	0	460.360	0.850	50	0		JCAARL
O=C([O-])CCC(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000031820537	556408347	/nfs/dbraw/zinc/40/83/47/556408347.db2.gz	VQUCXRTZYOTGIE-QVKFZJNVSA-N	-2	0	492.554	0.902	50	0		JCAARL
O=C([O-])CCC(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000031820542	556408370	/nfs/dbraw/zinc/40/83/70/556408370.db2.gz	VQUCXRTZYOTGIE-VFNWGFHPSA-N	-2	0	492.554	0.902	50	0		JCAARL
O=C([O-])CCC(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000031820548	556408326	/nfs/dbraw/zinc/40/83/26/556408326.db2.gz	VQUCXRTZYOTGIE-YCRPNKLZSA-N	-2	0	492.554	0.902	50	0		JCAARL
O=C([O-])CCC(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000031820551	556408353	/nfs/dbraw/zinc/40/83/53/556408353.db2.gz	VQUCXRTZYOTGIE-BTYIYWSLSA-N	-2	0	492.554	0.902	50	0		JCAARL
O=C([O-])CC[C@H](NC(=O)CCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000034074065	569639562	/nfs/dbraw/zinc/63/95/62/569639562.db2.gz	NRRYINZATARDIG-KBPBESRZSA-N	-4	0	460.480	0.976	50	0		JCAARL
O=C([O-])CC[C@@H](NC(=O)CCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000034074066	569639614	/nfs/dbraw/zinc/63/96/14/569639614.db2.gz	NRRYINZATARDIG-OKILXGFUSA-N	-4	0	460.480	0.976	50	0		JCAARL
O=C([O-])CC[C@@H](NC(=O)CCCCCCCCC(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000034074068	569639570	/nfs/dbraw/zinc/63/95/70/569639570.db2.gz	NRRYINZATARDIG-ZIAGYGMSSA-N	-4	0	460.480	0.976	50	0		JCAARL
O=C([O-])CCC(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2c1	ZINC000036354229	569771685	/nfs/dbraw/zinc/77/16/85/569771685.db2.gz	ZRFFVIIDRDDMJC-VFNWGFHPSA-N	-2	0	492.554	0.902	50	0		JCAARL
O=C([O-])CCC(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2c1	ZINC000036354230	569771665	/nfs/dbraw/zinc/77/16/65/569771665.db2.gz	ZRFFVIIDRDDMJC-QVKFZJNVSA-N	-2	0	492.554	0.902	50	0		JCAARL
O=C([O-])CCC(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2c1	ZINC000036354232	569771607	/nfs/dbraw/zinc/77/16/07/569771607.db2.gz	ZRFFVIIDRDDMJC-BTYIYWSLSA-N	-2	0	492.554	0.902	50	0		JCAARL
O=C([O-])CCC(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2c1	ZINC000036354234	569771653	/nfs/dbraw/zinc/77/16/53/569771653.db2.gz	ZRFFVIIDRDDMJC-YCRPNKLZSA-N	-2	0	492.554	0.902	50	0		JCAARL
CS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)CC1	ZINC000036357821	569772013	/nfs/dbraw/zinc/77/20/13/569772013.db2.gz	GNCJLJDQFIABQV-SFHVURJKSA-N	-2	0	452.489	0.674	50	0		JCAARL
CS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)CC1	ZINC000036357822	525176968	/nfs/dbraw/zinc/17/69/68/525176968.db2.gz	GNCJLJDQFIABQV-GOSISDBHSA-N	-2	0	452.489	0.674	50	0		JCAARL
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN([C@@H]3CCS(=O)(=O)C3)CC1)cn2CC(=O)[O-]	ZINC000036358256	569772091	/nfs/dbraw/zinc/77/20/91/569772091.db2.gz	PAEJJFPFFVZPHN-VLIAUNLRSA-N	-2	0	465.528	0.665	50	0		JCAARL
COc1ccc2c(c1)c([C@H](C(=O)[O-])N1CCN([C@@H]3CCS(=O)(=O)C3)CC1)cn2CC(=O)[O-]	ZINC000036358257	525604523	/nfs/dbraw/zinc/60/45/23/525604523.db2.gz	PAEJJFPFFVZPHN-JLTOFOAXSA-N	-2	0	465.528	0.665	50	0		JCAARL
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN([C@H]3CCS(=O)(=O)C3)CC1)cn2CC(=O)[O-]	ZINC000036358258	569772139	/nfs/dbraw/zinc/77/21/39/569772139.db2.gz	PAEJJFPFFVZPHN-XOBRGWDASA-N	-2	0	465.528	0.665	50	0		JCAARL
COc1ccc2c(c1)c([C@H](C(=O)[O-])N1CCN([C@H]3CCS(=O)(=O)C3)CC1)cn2CC(=O)[O-]	ZINC000036358259	569772096	/nfs/dbraw/zinc/77/20/96/569772096.db2.gz	PAEJJFPFFVZPHN-VBKZILBWSA-N	-2	0	465.528	0.665	50	0		JCAARL
CS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)CC1	ZINC000036360958	569772663	/nfs/dbraw/zinc/77/26/63/569772663.db2.gz	LXHIZDOTDUNFDY-SFHVURJKSA-N	-2	0	452.489	0.674	50	0		JCAARL
CS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)CC1	ZINC000036360959	525176030	/nfs/dbraw/zinc/17/60/30/525176030.db2.gz	LXHIZDOTDUNFDY-GOSISDBHSA-N	-2	0	452.489	0.674	50	0		JCAARL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccc(F)cc21	ZINC000036365709	569772897	/nfs/dbraw/zinc/77/28/97/569772897.db2.gz	MFBZPEKACXAILB-KUHUBIRLSA-N	-2	0	453.492	0.795	50	0		JCAARL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccc(F)cc21	ZINC000036365711	569772789	/nfs/dbraw/zinc/77/27/89/569772789.db2.gz	MFBZPEKACXAILB-AUUYWEPGSA-N	-2	0	453.492	0.795	50	0		JCAARL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccc(F)cc21	ZINC000036365712	569772834	/nfs/dbraw/zinc/77/28/34/569772834.db2.gz	MFBZPEKACXAILB-LIRRHRJNSA-N	-2	0	453.492	0.795	50	0		JCAARL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccc(F)cc21	ZINC000036365714	569772785	/nfs/dbraw/zinc/77/27/85/569772785.db2.gz	MFBZPEKACXAILB-IFXJQAMLSA-N	-2	0	453.492	0.795	50	0		JCAARL
O=C([O-])c1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2c[nH]c(=O)[nH]c2=O)C3=O)cc(C(=O)[O-])c1	ZINC000059514796	569606506	/nfs/dbraw/zinc/60/65/06/569606506.db2.gz	VIUVAXOXLSPRAV-UHFFFAOYSA-N	-2	0	464.346	0.513	50	0		JCAARL
COc1cc([N-]S(=O)(=O)c2ccc(N(C(=O)/C=C/C(=O)[O-])C(=O)/C=C/C(=O)[O-])cc2)ncn1	ZINC000067189418	569677233	/nfs/dbraw/zinc/67/72/33/569677233.db2.gz	RBERLKDFMWOICR-CDJQDVQCSA-N	-3	0	476.423	0.427	50	0		JCAARL
O=C([O-])c1ccc(N2C(=O)C[C@@H](N(O)[C@@H]3CC(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)C2=O)cc1	ZINC000095483662	569725072	/nfs/dbraw/zinc/72/50/72/569725072.db2.gz	OAYUHJAWOVHHHT-HZPDHXFCSA-N	-2	0	467.390	0.738	50	0		JCAARL
O=C(CCN1C(=O)c2ccccc2C1=O)c1[n-][n-]c2c(O)n(-c3ccc4c(c3)OCCO4)c(=O)c1-2	ZINC000100859254	569772629	/nfs/dbraw/zinc/77/26/29/569772629.db2.gz	IBWIVIRJRUSRRV-QUCCMNQESA-N	-2	0	474.429	0.530	50	0		JCAARL
O=C(CCN1C(=O)c2ccccc2C1=O)c1[n-][n-]c2c(O)n(-c3ccc4c(c3)OCCO4)c(=O)c1-2	ZINC000103530657	569835828	/nfs/dbraw/zinc/83/58/28/569835828.db2.gz	IBWIVIRJRUSRRV-AZUAARDMSA-N	-2	0	474.429	0.530	50	0		JCAARL
O=P(=O)OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O[P@](=O)([O-])OP(=O)([O-])[O-]	ZINC000257355138	570153371	/nfs/dbraw/zinc/15/33/71/570153371.db2.gz	NFYQOZIAMGALHY-UHFFFAOYSA-N	-6	0	479.874	0.652	50	0		JCAARL
O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1	ZINC000257373260	570153822	/nfs/dbraw/zinc/15/38/22/570153822.db2.gz	SZGVJLCXTSBVKL-UHFFFAOYSA-N	-6	0	479.874	0.702	50	0		JCAARL