smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1O[C@@](c2ccc(O)cc2)(c2ccc(O[P@@](=O)([O-])O)cc2)c2ccccc21	ZINC000004521774	204050904	/nfs/dbraw/zinc/05/09/04/204050904.db2.gz	NEMOXUWHWHQWJM-FQEVSTJZSA-N	-1	2	398.307	3.326	50	0		GGAALM
O=C1O[C@@](c2ccc(O)cc2)(c2ccc(O[P@](=O)([O-])O)cc2)c2ccccc21	ZINC000004521774	204050905	/nfs/dbraw/zinc/05/09/05/204050905.db2.gz	NEMOXUWHWHQWJM-FQEVSTJZSA-N	-1	2	398.307	3.326	50	0		GGAALM
CCC(Nc1cccc(C(=O)[O-])c1)=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000009015796	204296411	/nfs/dbraw/zinc/29/64/11/204296411.db2.gz	NTQMTUSSUBHZBW-WUKNDPDISA-N	-1	2	393.399	3.052	50	0		GGAALM
COc1ccc(N2C(=O)NC(=O)C(=C(C)Nc3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000009089882	204298589	/nfs/dbraw/zinc/29/85/89/204298589.db2.gz	MNQFTNGFDYQVHW-WJDWOHSUSA-N	-1	2	395.371	3.203	50	0		GGAALM
COc1cc2c(cc1OC)-c1c(c(C(=O)NC(=O)[O-])nn1-c1ccc(F)cc1)C2	ZINC000257173597	570311747	/nfs/dbraw/zinc/31/17/47/570311747.db2.gz	RTIPLGAWOUURKZ-UHFFFAOYSA-N	-1	2	397.362	3.008	50	0		GGAALM
Cn1c2ccccc2nc1-c1c(CCCC(=O)[O-])oc2cc(O)ccc2c1=O	ZINC000011867616	570298818	/nfs/dbraw/zinc/29/88/18/570298818.db2.gz	HLJXBDBNKKRQGU-UHFFFAOYSA-N	-1	2	378.384	3.460	50	0		GGAALM
Cc1c2cc(Cl)c(O)cc2oc(=O)c1CCC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000002111616	570950654	/nfs/dbraw/zinc/95/06/54/570950654.db2.gz	VONWFAKLVFMNPZ-CQSZACIVSA-N	-1	2	395.839	3.009	50	0	biogenic	GGAALM
CCCC[C@H](NC(=O)CCc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)[O-]	ZINC000002125257	209228439	/nfs/dbraw/zinc/22/84/39/209228439.db2.gz	NBZYRINBIDMMKE-AWEZNQCLSA-N	-1	2	395.839	3.153	50	0	biogenic	GGAALM
COc1ccc2[nH]c(C(=O)[O-])c(NS(=O)(=O)c3ccc(Cl)s3)c2c1	ZINC000002337434	564187894	/nfs/dbraw/zinc/18/78/94/564187894.db2.gz	NZSSHIXKMIMXGS-UHFFFAOYSA-N	-1	2	386.838	3.390	50	0		GGAALM
CC[C@@H](C)[C@@H](NC(=O)CCc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)[O-]	ZINC000002111230	570950624	/nfs/dbraw/zinc/95/06/24/570950624.db2.gz	ZJFMDPKSXRWPDB-VVVCHXIZSA-N	-1	2	395.839	3.009	50	0	biogenic	GGAALM
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O[P@@](=O)([O-])O	ZINC000001543513	212249325	/nfs/dbraw/zinc/24/93/25/212249325.db2.gz	WDOGQTQEKVLZIJ-WAYWQWQTSA-N	-1	2	396.332	3.363	50	0	biogenic,investigational	GGAALM
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O[P@](=O)([O-])O	ZINC000001543513	212249329	/nfs/dbraw/zinc/24/93/29/212249329.db2.gz	WDOGQTQEKVLZIJ-WAYWQWQTSA-N	-1	2	396.332	3.363	50	0	biogenic,investigational	GGAALM
CCc1cc2c(cc1O)oc(COCC(=O)[O-])c(-c1nc(C)cs1)c2=O	ZINC000011867625	221133446	/nfs/dbraw/zinc/13/34/46/221133446.db2.gz	CMRPFOSTCZOVJF-UHFFFAOYSA-N	-1	2	375.402	3.094	50	0	biogenic	GGAALM
CC[C@H](C)[C@H](NC(=O)CCc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)[O-]	ZINC000012865412	221239895	/nfs/dbraw/zinc/23/98/95/221239895.db2.gz	ZJFMDPKSXRWPDB-XYZCENFISA-N	-1	2	395.839	3.009	50	0	biogenic	GGAALM
O=C1O[C@](c2ccc(O)cc2)(c2ccc(O[P@@](=O)([O-])O)cc2)c2ccccc21	ZINC000004521775	570381419	/nfs/dbraw/zinc/38/14/19/570381419.db2.gz	NEMOXUWHWHQWJM-HXUWFJFHSA-N	-1	2	398.307	3.326	50	0		GGAALM
O=C1O[C@](c2ccc(O)cc2)(c2ccc(O[P@](=O)([O-])O)cc2)c2ccccc21	ZINC000004521775	570381424	/nfs/dbraw/zinc/38/14/24/570381424.db2.gz	NEMOXUWHWHQWJM-HXUWFJFHSA-N	-1	2	398.307	3.326	50	0		GGAALM
CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)[O-]	ZINC000002111228	570950581	/nfs/dbraw/zinc/95/05/81/570950581.db2.gz	ZJFMDPKSXRWPDB-XLFHBGCDSA-N	-1	2	395.839	3.009	50	0	biogenic	GGAALM
Cc1c2cc(Cl)c(O)cc2oc(=O)c1CCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000002111614	570950834	/nfs/dbraw/zinc/95/08/34/570950834.db2.gz	VONWFAKLVFMNPZ-AWEZNQCLSA-N	-1	2	395.839	3.009	50	0	biogenic	GGAALM
CCC(Nc1ccc(C(=O)[O-])cc1)=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000009090098	204298244	/nfs/dbraw/zinc/29/82/44/204298244.db2.gz	SQNMLIASSSOSMW-WUKNDPDISA-N	-1	2	393.399	3.052	50	0		GGAALM
CC[C@H](C)[C@@H](NC(=O)CCc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)[O-]	ZINC000012865406	205881007	/nfs/dbraw/zinc/88/10/07/205881007.db2.gz	ZJFMDPKSXRWPDB-HUTHGQBESA-N	-1	2	395.839	3.009	50	0	biogenic	GGAALM
CCOC(=O)c1nc(-c2ccco2)[nH]c1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000033435921	570349545	/nfs/dbraw/zinc/34/95/45/570349545.db2.gz	ARTOTHQARMXGAP-UHFFFAOYSA-N	-1	2	395.824	3.301	50	0		GGAALM
O=C(COc1ccccc1[P@](=O)([O-])O)N(c1ccccc1)c1ccccc1	ZINC000002783492	570514269	/nfs/dbraw/zinc/51/42/69/570514269.db2.gz	VAGJFISXVIDUKR-UHFFFAOYSA-N	-1	2	383.340	3.233	50	0		GGAALM
O=C(COc1ccccc1[P@@](=O)([O-])O)N(c1ccccc1)c1ccccc1	ZINC000002783492	570514272	/nfs/dbraw/zinc/51/42/72/570514272.db2.gz	VAGJFISXVIDUKR-UHFFFAOYSA-N	-1	2	383.340	3.233	50	0		GGAALM
CCCC[C@@H](NC(=O)CCc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)[O-]	ZINC000002125258	570957572	/nfs/dbraw/zinc/95/75/72/570957572.db2.gz	NBZYRINBIDMMKE-CQSZACIVSA-N	-1	2	395.839	3.153	50	0	biogenic	GGAALM
CC(Nc1cccc(C(=O)[O-])c1)=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000001274882	206370218	/nfs/dbraw/zinc/37/02/18/206370218.db2.gz	QEWYDTSREWJLLN-GDNBJRDFSA-N	-1	2	399.790	3.007	50	0		GGAALM
Cc1c2cc(Cl)c(O)cc2oc(=O)c1CCC(=O)NCCCCCC(=O)[O-]	ZINC000002113292	206399671	/nfs/dbraw/zinc/39/96/71/206399671.db2.gz	WLLYVHHKZLABHB-UHFFFAOYSA-N	-1	2	395.839	3.154	50	0	biogenic	GGAALM
CC(=O)c1sc(=NC(=O)c2c[n-]c3c(cccc3C(F)(F)F)c2=O)[nH]c1C	ZINC000012421868	570672622	/nfs/dbraw/zinc/67/26/22/570672622.db2.gz	JZIRROPPEAHODR-UHFFFAOYSA-N	-1	2	395.362	3.189	50	0		GGAALM
Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[nH]c2SCC(=O)[O-])cc1	ZINC000008606691	1398841543	/nfs/dbraw/zinc/84/15/43/1398841543.db2.gz	WUQRDZDZZLPOOM-UHFFFAOYSA-N	-1	2	388.470	3.395	50	0		GGAALM
Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)[O-])[nH]2)cc1	ZINC000016837145	221372052	/nfs/dbraw/zinc/37/20/52/221372052.db2.gz	CKLWLGWEZWGIPA-UHFFFAOYSA-N	-1	2	388.470	3.395	50	0		GGAALM
Cc1ccc(-c2nc(SCC(=O)[O-])c(S(=O)(=O)c3ccccc3)[nH]2)cc1	ZINC000016837145	221372055	/nfs/dbraw/zinc/37/20/55/221372055.db2.gz	CKLWLGWEZWGIPA-UHFFFAOYSA-N	-1	2	388.470	3.395	50	0		GGAALM
O=c1c2ccccc2[nH]c(=S)n1CCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000020153995	570254810	/nfs/dbraw/zinc/25/48/10/570254810.db2.gz	FSDOALAIWUQISQ-UHFFFAOYSA-N	-1	2	394.544	3.267	50	0		GGAALM
CC(=O)C=C([O-])c1ccc(OCCOc2ccc(C(O)=CC(C)=O)cc2)cc1	ZINC000005297795	570433331	/nfs/dbraw/zinc/43/33/31/570433331.db2.gz	MGRCJGDLCXWTIW-UHFFFAOYSA-N	-1	2	382.412	3.468	50	0		GGAALM
CCC(Nc1ccc(C(=O)[O-])cc1)=C1C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000008997191	1398851536	/nfs/dbraw/zinc/85/15/36/1398851536.db2.gz	CZUOGPYJHSGOQX-BMRADRMJSA-N	-1	2	393.399	3.052	50	0		GGAALM
CCC(Nc1cccc(C(=O)[O-])c1)=C1C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000009109510	1398853805	/nfs/dbraw/zinc/85/38/05/1398853805.db2.gz	JUIMYQBGPIRFQF-BMRADRMJSA-N	-1	2	393.399	3.052	50	0		GGAALM