smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)sc1C(=O)N(C)C	ZINC000223257112	570453642	/nfs/dbraw/zinc/45/36/42/570453642.db2.gz	WTWOCXLDQRHDDU-UHFFFAOYSA-N	-1	2	397.478	1.971	40	0		GDABLM
O=C([O-])CN1C(=O)N/C(=C/c2cc(Cl)c(O)c(Br)c2)C1=O	ZINC000408593743	231071711	/nfs/dbraw/zinc/07/17/11/231071711.db2.gz	REHCZVMJWASKOZ-FPYGCLRLSA-N	-1	2	375.562	1.785	40	0		GDABLM
C/C(=C\CNc1ncnc2c1ncn2[C@@H]1CCCCO1)CO[P@@](=O)([O-])O	ZINC000016953255	207079573	/nfs/dbraw/zinc/07/95/73/207079573.db2.gz	RZTXGCBNTFIUEA-JVOXIWMLSA-N	-1	2	383.345	1.993	40	0		GDABLM
C/C(=C\CNc1ncnc2c1ncn2[C@@H]1CCCCO1)CO[P@](=O)([O-])O	ZINC000016953255	207079575	/nfs/dbraw/zinc/07/95/75/207079575.db2.gz	RZTXGCBNTFIUEA-JVOXIWMLSA-N	-1	2	383.345	1.993	40	0		GDABLM
C/C(=C/CNc1ncnc2c1ncn2[C@H]1CCCCO1)CO[P@@](=O)([O-])O	ZINC000001618906	206386508	/nfs/dbraw/zinc/38/65/08/206386508.db2.gz	RZTXGCBNTFIUEA-DKRCXCIFSA-N	-1	2	383.345	1.993	40	0		GDABLM
C/C(=C/CNc1ncnc2c1ncn2[C@H]1CCCCO1)CO[P@](=O)([O-])O	ZINC000001618906	206386510	/nfs/dbraw/zinc/38/65/10/206386510.db2.gz	RZTXGCBNTFIUEA-DKRCXCIFSA-N	-1	2	383.345	1.993	40	0		GDABLM
O=C([O-])C[C@@H]1CCN(C(=O)C(=O)[O-])C[C@@H]1CC1=[NH+]CCc2cc(F)ccc21	ZINC000067878712	560049214	/nfs/dbraw/zinc/04/92/14/560049214.db2.gz	RNAUHTGXPPBQNM-AAEUAGOBSA-N	-1	2	376.384	1.585	40	0	biogenic,in-vitro	GDABLM
COc1ccc(C(N)=O)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000042796295	530631184	/nfs/dbraw/zinc/63/11/84/530631184.db2.gz	PWMXXARNJJGWSY-UHFFFAOYSA-N	-1	2	384.797	1.947	40	0		GDABLM
C/C(=C\CNc1ncnc2c1ncn2[C@H]1CCCCO1)CO[P@@](=O)([O-])O	ZINC000017192967	207087082	/nfs/dbraw/zinc/08/70/82/207087082.db2.gz	RZTXGCBNTFIUEA-JXDHDYMSSA-N	-1	2	383.345	1.993	40	0		GDABLM
C/C(=C\CNc1ncnc2c1ncn2[C@H]1CCCCO1)CO[P@](=O)([O-])O	ZINC000017192967	207087086	/nfs/dbraw/zinc/08/70/86/207087086.db2.gz	RZTXGCBNTFIUEA-JXDHDYMSSA-N	-1	2	383.345	1.993	40	0		GDABLM
O=c1[nH]c(=S)[nH]c(O)c1C(c1ccccn1)C1C(=O)NC(=S)N=C1[O-]	ZINC000013571167	210069344	/nfs/dbraw/zinc/06/93/44/210069344.db2.gz	JJZKYIRQPPOKMV-UHFFFAOYSA-N	-1	2	377.407	1.165	40	0		GDABLM
Cc1nc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)sc1C(=O)N(C)C	ZINC000223372740	531029296	/nfs/dbraw/zinc/02/92/96/531029296.db2.gz	NJCGKTDWMMBAAZ-UHFFFAOYSA-N	-1	2	387.414	1.791	40	0		GDABLM
COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cnn(C3CCOCC3)c2)c1	ZINC000269685630	962774518	/nfs/dbraw/zinc/77/45/18/962774518.db2.gz	SPZKMECOCBOTTM-UHFFFAOYSA-N	-1	2	381.410	1.742	40	0		GDABLM
Cc1nc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)sc1C(=O)N(C)C	ZINC000223371314	222631928	/nfs/dbraw/zinc/63/19/28/222631928.db2.gz	NIKJAISUVOKJGS-UHFFFAOYSA-N	-1	2	387.414	1.791	40	0		GDABLM
Cc1cc(S(=O)(=O)Nc2n[nH]c(N)n2)c(SCC(=O)[O-])cc1Cl	ZINC000008651878	221048898	/nfs/dbraw/zinc/04/88/98/221048898.db2.gz	HWPZNZMOTSZHOE-UHFFFAOYSA-N	-1	2	377.835	1.157	40	0		GDABLM
COc1ccc2c(c1)CC[NH+]=C2C[C@H]1CN(C(=O)C(=O)[O-])CC[C@H]1CC(=O)[O-]	ZINC000077262235	560046745	/nfs/dbraw/zinc/04/67/45/560046745.db2.gz	GTIJMCJEPWFQPM-JSGCOSHPSA-N	-1	2	388.420	1.455	40	0	biogenic,in-vitro	GDABLM
C/C(=C/CNc1ncnc2c1ncn2[C@@H]1CCCCO1)CO[P@@](=O)([O-])O	ZINC000001618908	212249959	/nfs/dbraw/zinc/24/99/59/212249959.db2.gz	RZTXGCBNTFIUEA-QJGQKNTRSA-N	-1	2	383.345	1.993	40	0		GDABLM
C/C(=C/CNc1ncnc2c1ncn2[C@@H]1CCCCO1)CO[P@](=O)([O-])O	ZINC000001618908	212249963	/nfs/dbraw/zinc/24/99/63/212249963.db2.gz	RZTXGCBNTFIUEA-QJGQKNTRSA-N	-1	2	383.345	1.993	40	0		GDABLM