smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000005053636	181197849	/nfs/dbraw/zinc/19/78/49/181197849.db2.gz	XKHMORBPEMNJAJ-WPRPVWTQSA-N	-2	1	320.236	0.210	50	0		DCAAML
C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-n2cnnn2)cc1[O-]	ZINC000426424172	257250260	/nfs/dbraw/zinc/25/02/60/257250260.db2.gz	APQACAAVIRRFIZ-AWEZNQCLSA-N	-2	1	317.305	0.447	50	0		DCAAML
CSCC[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C(=O)[O-]	ZINC000426441716	257250605	/nfs/dbraw/zinc/25/06/05/257250605.db2.gz	GGELMQJGTFUUFD-SNVBAGLBSA-N	-2	1	321.358	0.859	50	0		DCAAML
NS(=O)(=O)c1cc([O-])c2c(cccc2S(=O)(=O)[O-])c1	ZINC000003191756	303442935	/nfs/dbraw/zinc/44/29/35/303442935.db2.gz	LVAOVTMXTCAMIG-UHFFFAOYSA-N	-2	1	303.317	0.440	50	0		DCAAML
Cc1ccc(N=c2sc3c(nc(=O)[n-]c3[O-])n2CCO)cc1	ZINC000032603845	395711553	/nfs/dbraw/zinc/71/15/53/395711553.db2.gz	PVDYLAOJNRPDID-PFONDFGASA-N	-2	1	318.358	0.613	50	0		DCAAML
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(O)C(=O)[N-]C(=O)NC1=O	ZINC000009419146	415146325	/nfs/dbraw/zinc/14/63/25/415146325.db2.gz	UQFYLRYNPANMIO-UHFFFAOYSA-N	-2	1	316.273	0.072	50	0		DCAAML
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)NCCC(=O)[O-]	ZINC000004062863	181068536	/nfs/dbraw/zinc/06/85/36/181068536.db2.gz	ZNZRQBVPDCCSNZ-UHFFFAOYSA-N	-2	1	305.286	0.940	50	0	biogenic	DCAAML
O=C([O-])[C@@H](CCC[P@@](=O)([O-])O)NC(=O)Cc1ccccc1	ZINC000002139855	304093508	/nfs/dbraw/zinc/09/35/08/304093508.db2.gz	XIXARRXCSHROMO-LLVKDONJSA-N	-2	1	315.262	0.756	50	0	biogenic	DCAAML
Cc1c2ccc(OCc3nn[n-]n3)cc2oc(=O)c1CC(=O)[O-]	ZINC000006130734	181316074	/nfs/dbraw/zinc/31/60/74/181316074.db2.gz	UMSKCORREAPKBZ-UHFFFAOYSA-N	-2	1	316.273	0.821	50	0		DCAAML
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)o1	ZINC000269028671	415248722	/nfs/dbraw/zinc/24/87/22/415248722.db2.gz	LSPDQXNUVWCUEP-LBPRGKRZSA-N	-2	1	316.335	0.125	50	0		DCAAML
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NCC(=O)[O-]	ZINC000004061417	181068217	/nfs/dbraw/zinc/06/82/17/181068217.db2.gz	GGYVWOYJQAWFOH-UHFFFAOYSA-N	-2	1	305.286	0.940	50	0	biogenic	DCAAML
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000178261430	601276895	/nfs/dbraw/zinc/27/68/95/601276895.db2.gz	AJOCFQJQMPMOJJ-SECBINFHSA-N	-2	1	307.350	0.923	50	0		DCAAML
O=C([O-])CCn1cc(CN2CCc3[nH]cnc3[C@H]2C(=O)[O-])cn1	ZINC000072473346	191175532	/nfs/dbraw/zinc/17/55/32/191175532.db2.gz	FALOZOJCJSFVEQ-ZDUSSCGKSA-N	-2	1	319.321	0.265	50	0		DCAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000101000461	395763905	/nfs/dbraw/zinc/76/39/05/395763905.db2.gz	XKHMORBPEMNJAJ-WCBMZHEXSA-N	-2	1	320.236	0.210	50	0		DCAAML
O=C([O-])CSc1nnc(Cc2nn[n-]n2)n1-c1ccccc1	ZINC000067965877	396040786	/nfs/dbraw/zinc/04/07/86/396040786.db2.gz	FLNMTFOZRJOIIV-UHFFFAOYSA-N	-2	1	317.334	0.548	50	0		DCAAML
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])o1	ZINC000262539564	396152378	/nfs/dbraw/zinc/15/23/78/396152378.db2.gz	KSTSXIQLTFSNFD-QMMMGPOBSA-N	-2	1	316.335	0.267	50	0		DCAAML
C[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-]	ZINC000576986150	417653818	/nfs/dbraw/zinc/65/38/18/417653818.db2.gz	PFBMFBNTPQEYEP-YFKPBYRVSA-N	-2	1	315.273	0.438	50	0		DCAAML
O=C([O-])c1nccnc1C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000072401323	191150586	/nfs/dbraw/zinc/15/05/86/191150586.db2.gz	ZJIVMFLXSYKWSY-UHFFFAOYSA-N	-2	1	302.172	0.564	50	0		DCAAML
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)o1	ZINC000269028669	415249738	/nfs/dbraw/zinc/24/97/38/415249738.db2.gz	LSPDQXNUVWCUEP-GFCCVEGCSA-N	-2	1	316.335	0.125	50	0		DCAAML
O=C([O-])CCn1cc(CN2CCc3[nH]cnc3[C@@H]2C(=O)[O-])cn1	ZINC000072473345	191176053	/nfs/dbraw/zinc/17/60/53/191176053.db2.gz	FALOZOJCJSFVEQ-CYBMUJFWSA-N	-2	1	319.321	0.265	50	0		DCAAML
COC(=O)c1n[n-]c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)n1	ZINC000095466247	185371669	/nfs/dbraw/zinc/37/16/69/185371669.db2.gz	QORMZVQWNDRYHH-UHFFFAOYSA-N	-2	1	324.318	0.327	50	0		DCAAML
O=C([O-])[C@H](CC[P@@](=O)([O-])O)NC(=O)Cc1ccccc1	ZINC000002139986	395681306	/nfs/dbraw/zinc/68/13/06/395681306.db2.gz	LWEKZOMJMNLYAS-JTQLQIEISA-N	-2	1	301.235	0.366	50	0	biogenic	DCAAML
Cn1c(=O)c(C(=O)c2nn[n-]n2)c([O-])c2cc(Cl)ccc21	ZINC000006239469	395682919	/nfs/dbraw/zinc/68/29/19/395682919.db2.gz	BLHJZMMDCQCQDW-UHFFFAOYSA-N	-2	1	305.681	0.642	50	0		DCAAML
O=C([O-])[C@H](CCC[P@@](=O)([O-])O)NC(=O)Cc1ccccc1	ZINC000002139853	304170631	/nfs/dbraw/zinc/17/06/31/304170631.db2.gz	XIXARRXCSHROMO-NSHDSACASA-N	-2	1	315.262	0.756	50	0	biogenic	DCAAML
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@@H](C)C(=O)[O-]	ZINC000004060935	181068089	/nfs/dbraw/zinc/06/80/89/181068089.db2.gz	ZTCRRLFZSKKTQV-QMMMGPOBSA-N	-2	1	305.286	0.939	50	0	biogenic	DCAAML
O=C([O-])CN1C(=O)C(=C2SC(=O)[N-]C2=O)c2ccccc21	ZINC000001216011	304066536	/nfs/dbraw/zinc/06/65/36/304066536.db2.gz	CHXJLJYUCDNPOZ-KTKRTIGZSA-N	-2	1	304.283	0.812	50	0		DCAAML
Nc1cc(=O)[n-]c(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1	ZINC000006622483	181361587	/nfs/dbraw/zinc/36/15/87/181361587.db2.gz	VOIUZXXENYTCDH-UHFFFAOYSA-N	-2	1	320.330	0.781	50	0		DCAAML
Cc1cc([O-])c2c(C)c(CC(=O)NCC(=O)[O-])c(=O)oc2c1	ZINC000020412615	182215093	/nfs/dbraw/zinc/21/50/93/182215093.db2.gz	UAANSOHJVYOXJH-UHFFFAOYSA-N	-2	1	305.286	0.859	50	0	biogenic	DCAAML
Cn1c(=O)c(C(=O)c2nn[n-]n2)c([O-])c2ccc(Cl)cc21	ZINC000008577928	415143833	/nfs/dbraw/zinc/14/38/33/415143833.db2.gz	ZMKPFDKVEUFETA-UHFFFAOYSA-N	-2	1	305.681	0.642	50	0		DCAAML
Nc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2	ZINC000585655819	546303524	/nfs/dbraw/zinc/30/35/24/546303524.db2.gz	VMQVJWFYNUASLD-QMMMGPOBSA-N	-2	1	300.274	0.937	50	0		DCAAML
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])o1	ZINC000262539563	290788601	/nfs/dbraw/zinc/78/86/01/290788601.db2.gz	KSTSXIQLTFSNFD-MRVPVSSYSA-N	-2	1	316.335	0.267	50	0		DCAAML
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N(C)CC(=O)[O-]	ZINC000003863639	181050005	/nfs/dbraw/zinc/05/00/05/181050005.db2.gz	WTCOHXSDLNQRSD-UHFFFAOYSA-N	-2	1	305.286	0.893	50	0	biogenic	DCAAML
CCOc1cc(/C=C2/NC(=S)[N-]C2=O)ccc1OCC(=O)[O-]	ZINC000004691190	181137185	/nfs/dbraw/zinc/13/71/85/181137185.db2.gz	CQVNHYFBHRJLDD-WEVVVXLNSA-N	-2	1	322.342	0.894	50	0		DCAAML
CSCC[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C(=O)[O-]	ZINC000426441715	257250205	/nfs/dbraw/zinc/25/02/05/257250205.db2.gz	GGELMQJGTFUUFD-JTQLQIEISA-N	-2	1	321.358	0.859	50	0		DCAAML
O=C([O-])CC1S/C(=N/N=C/c2ccccc2C(=O)[O-])NC1=O	ZINC000005897780	395682889	/nfs/dbraw/zinc/68/28/89/395682889.db2.gz	MXIIYCNBXSKMPF-RGEMTFFCSA-N	-2	1	321.314	0.781	50	0		DCAAML
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)o1	ZINC000299394394	530027410	/nfs/dbraw/zinc/02/74/10/530027410.db2.gz	LDOGYSZYSYKJKP-MRVPVSSYSA-N	-2	1	316.335	0.125	50	0		DCAAML
COc1cccc(/C=C2\NC(=S)[N-]C2=O)c1OCC(=O)[O-]	ZINC000002978198	395682114	/nfs/dbraw/zinc/68/21/14/395682114.db2.gz	NCRIEBLTDDUQBB-YVMONPNESA-N	-2	1	308.315	0.504	50	0		DCAAML
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)o1	ZINC000262212716	396111490	/nfs/dbraw/zinc/11/14/90/396111490.db2.gz	SHCPIKAFZNMYHV-SECBINFHSA-N	-2	1	304.324	0.027	50	0		DCAAML
Cc1nc(N)nc(N2CCC[C@@H](C(=O)[O-])C2)c1CCC(=O)[O-]	ZINC000095368106	415554696	/nfs/dbraw/zinc/55/46/96/415554696.db2.gz	DQWSQXIORBKIFC-SECBINFHSA-N	-2	1	308.338	0.685	50	0		DCAAML
COc1cc(C(=O)[O-])cc(C(=O)NCCCc2nn[n-]n2)c1	ZINC000426396652	257252220	/nfs/dbraw/zinc/25/22/20/257252220.db2.gz	RZEKOTJHLXPPPU-UHFFFAOYSA-N	-2	1	305.294	0.269	50	0		DCAAML
CNS(=O)(=O)c1cc([O-])c2c(cccc2S(=O)(=O)[O-])c1	ZINC000003191757	395682345	/nfs/dbraw/zinc/68/23/45/395682345.db2.gz	LUKUOCAHHNULJI-UHFFFAOYSA-N	-2	1	317.344	0.700	50	0		DCAAML
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000178261417	237222157	/nfs/dbraw/zinc/22/21/57/237222157.db2.gz	AJOCFQJQMPMOJJ-VIFPVBQESA-N	-2	1	307.350	0.923	50	0		DCAAML
CC(C)(C)c1onc(OCP(=O)([O-])[O-])c1C[C@@H]([NH3+])C(=O)[O-]	ZINC000004475051	415131532	/nfs/dbraw/zinc/13/15/32/415131532.db2.gz	AGSOOCUNMTYPSE-SSDOTTSWSA-N	-2	1	322.254	0.441	50	0	aggregator,in-vitro	DCAAML
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000269092022	301095496	/nfs/dbraw/zinc/09/54/96/301095496.db2.gz	UYDRAGLTBSOTOV-MRVPVSSYSA-N	-3	1	318.289	0.434	50	0		DCAAML
O=C([O-])[C@]12C[C@@]1(C(=O)[O-])CN(CC(=O)Nc1ccccc1)C2	ZINC001772705191	1157843830	/nfs/dbraw/zinc/84/38/30/1157843830.db2.gz	XKYLONZIOQCYKJ-GASCZTMLSA-N	-2	1	304.302	0.486	50	0		DCAAML
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)o1	ZINC000262016547	530027571	/nfs/dbraw/zinc/02/75/71/530027571.db2.gz	LDOGYSZYSYKJKP-QMMMGPOBSA-N	-2	1	316.335	0.125	50	0		DCAAML
O=C([O-])[C@@H](CC[P@@](=O)([O-])O)NC(=O)Cc1ccccc1	ZINC000002139987	395681264	/nfs/dbraw/zinc/68/12/64/395681264.db2.gz	LWEKZOMJMNLYAS-SNVBAGLBSA-N	-2	1	301.235	0.366	50	0	biogenic	DCAAML
Cn1ncc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1C(=O)[O-]	ZINC000539195946	416578202	/nfs/dbraw/zinc/57/82/02/416578202.db2.gz	IKWGJXDHVOQDCU-MRVPVSSYSA-N	-2	1	303.340	0.429	50	0		DCAAML
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)o1	ZINC000262212718	522282412	/nfs/dbraw/zinc/28/24/12/522282412.db2.gz	SHCPIKAFZNMYHV-VIFPVBQESA-N	-2	1	304.324	0.027	50	0		DCAAML
O=C([O-])CC[C@H](NC(=O)CCc1n[nH]c2c1CCCC2)C(=O)[O-]	ZINC000426612529	257245137	/nfs/dbraw/zinc/24/51/37/257245137.db2.gz	NJIFOTMCUCTGRA-LBPRGKRZSA-N	-2	1	323.349	0.655	50	0		DCAAML
COc1ccc([O-])c(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c1	ZINC000006084154	181311282	/nfs/dbraw/zinc/31/12/82/181311282.db2.gz	QCXNBEHCMJBNAJ-UHFFFAOYSA-N	-2	1	313.269	0.557	50	0		DCAAML
Nc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1	ZINC000010491830	395686057	/nfs/dbraw/zinc/68/60/57/395686057.db2.gz	JSTPMWILRCNWCU-UHFFFAOYSA-N	-2	1	320.330	0.781	50	0		DCAAML
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000262915306	396191321	/nfs/dbraw/zinc/19/13/21/396191321.db2.gz	UADWMAXTFOALIV-SECBINFHSA-N	-2	1	323.349	0.714	50	0		DCAAML
Cn1ncc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1C(=O)[O-]	ZINC000539195952	416577343	/nfs/dbraw/zinc/57/73/43/416577343.db2.gz	IKWGJXDHVOQDCU-QMMMGPOBSA-N	-2	1	303.340	0.429	50	0		DCAAML
Cc1nc(N)nc(N2CCC[C@H](C(=O)[O-])C2)c1CCC(=O)[O-]	ZINC000095368105	302597715	/nfs/dbraw/zinc/59/77/15/302597715.db2.gz	DQWSQXIORBKIFC-VIFPVBQESA-N	-2	1	308.338	0.685	50	0		DCAAML
Cc1nc(N(C)C)nc(N2C[C@@]3(C(=O)[O-])C[C@@]3(C(=O)[O-])C2)c1C	ZINC001704304696	1179967579	/nfs/dbraw/zinc/96/75/79/1179967579.db2.gz	HYFRTVVDURNKQG-GASCZTMLSA-N	-2	1	320.349	0.525	50	0		DCAAML
C[C@](CC[P@](=O)([O-])O)(NC(=O)Cc1ccccc1)C(=O)[O-]	ZINC000002139773	395681230	/nfs/dbraw/zinc/68/12/30/395681230.db2.gz	YHHVYLNLHAWMIC-CYBMUJFWSA-N	-2	1	315.262	0.756	50	0	biogenic	DCAAML
Cc1cc(C(=O)N(C)CCC(=O)[O-])[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000262939023	597006457	/nfs/dbraw/zinc/00/64/57/597006457.db2.gz	ZHWXXYOZCMVKLU-UHFFFAOYSA-N	-3	1	306.278	0.291	50	0		DCAAML
COc1cccc(/C=C2/NC(=S)[N-]C2=O)c1OCC(=O)[O-]	ZINC000033420061	395717197	/nfs/dbraw/zinc/71/71/97/395717197.db2.gz	NCRIEBLTDDUQBB-VMPITWQZSA-N	-2	1	308.315	0.504	50	0		DCAAML
COc1cc2[n-]c([O-])c(C(=O)NCCCO)c(=O)c2cc1OC	ZINC000009087960	395685231	/nfs/dbraw/zinc/68/52/31/395685231.db2.gz	VKZPLMVUWJOOMB-UHFFFAOYSA-N	-2	1	322.317	0.363	50	0	biogenic	DCAAML
C[C@@](CC[P@](=O)([O-])O)(NC(=O)Cc1ccccc1)C(=O)[O-]	ZINC000002139774	395681345	/nfs/dbraw/zinc/68/13/45/395681345.db2.gz	YHHVYLNLHAWMIC-ZDUSSCGKSA-N	-2	1	315.262	0.756	50	0	biogenic	DCAAML
Nc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2	ZINC000585655818	546303419	/nfs/dbraw/zinc/30/34/19/546303419.db2.gz	VMQVJWFYNUASLD-MRVPVSSYSA-N	-2	1	300.274	0.937	50	0		DCAAML
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000262915311	238182870	/nfs/dbraw/zinc/18/28/70/238182870.db2.gz	UADWMAXTFOALIV-VIFPVBQESA-N	-2	1	323.349	0.714	50	0		DCAAML
Cc1[n-][nH]c(=O)c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000426490779	257248715	/nfs/dbraw/zinc/24/87/15/257248715.db2.gz	XWCAURXXODIEJJ-LBPRGKRZSA-N	-2	1	303.318	0.778	50	0		DCAAML
COc1c(/C=C2\NC(=S)[N-]C2=O)cccc1OCC(=O)[O-]	ZINC000036245378	395722958	/nfs/dbraw/zinc/72/29/58/395722958.db2.gz	IAOCJEATEQVXBA-YVMONPNESA-N	-2	1	308.315	0.504	50	0		DCAAML
CC(C)(C)c1onc(OCP(=O)([O-])[O-])c1C[C@H]([NH3+])C(=O)[O-]	ZINC000002047684	415124675	/nfs/dbraw/zinc/12/46/75/415124675.db2.gz	AGSOOCUNMTYPSE-ZETCQYMHSA-N	-2	1	322.254	0.441	50	0	aggregator,in-vivo	DCAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000005053634	181197968	/nfs/dbraw/zinc/19/79/68/181197968.db2.gz	XKHMORBPEMNJAJ-SCZZXKLOSA-N	-2	1	320.236	0.210	50	0		DCAAML
O=C([O-])CC1S/C(=N/N=C/c2ccccc2C(=O)[O-])NC1=O	ZINC000005897783	395682845	/nfs/dbraw/zinc/68/28/45/395682845.db2.gz	MXIIYCNBXSKMPF-ISKYKNHCSA-N	-2	1	321.314	0.781	50	0		DCAAML
Cc1ncc2c(c1O)[C@@H](c1c(=O)[nH]c(=S)n(C)c1[O-])OC2	ZINC000000487690	395680437	/nfs/dbraw/zinc/68/04/37/395680437.db2.gz	LOJBTEPBIJNKJX-JTQLQIEISA-N	-2	1	307.331	0.803	50	0	biogenic	DCAAML
C[C@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-]	ZINC000576986147	341873770	/nfs/dbraw/zinc/87/37/70/341873770.db2.gz	PFBMFBNTPQEYEP-RXMQYKEDSA-N	-2	1	315.273	0.438	50	0		DCAAML
O=C([O-])CN1C(=O)C(=C2NC(=S)[N-]C2=O)c2ccccc21	ZINC000026532664	304066610	/nfs/dbraw/zinc/06/66/10/304066610.db2.gz	HPOBCZJHDVDPGU-KTKRTIGZSA-N	-2	1	303.299	0.245	50	0		DCAAML
Cc1[n-][nH]c(=O)c1CC(=O)NCCOc1cccc(C(=O)[O-])c1	ZINC000426689337	257244546	/nfs/dbraw/zinc/24/45/46/257244546.db2.gz	WERDOPSZPBKHTE-UHFFFAOYSA-N	-2	1	319.317	0.860	50	0		DCAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000101000457	395763909	/nfs/dbraw/zinc/76/39/09/395763909.db2.gz	XKHMORBPEMNJAJ-PSASIEDQSA-N	-2	1	320.236	0.210	50	0		DCAAML
Cc1c(CC(=O)NCC(=O)[O-])c(=O)oc2cc(O)cc([O-])c12	ZINC000020610273	182238351	/nfs/dbraw/zinc/23/83/51/182238351.db2.gz	DFOXPFQTVADXSY-UHFFFAOYSA-N	-2	1	307.258	0.256	50	0	biogenic	DCAAML