smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(ncn2CCCC[P@](=O)([O-])C[P@@](=O)([O-])O)c(=O)[nH]1	ZINC000001533469	204011618	/nfs/dbraw/zinc/01/16/18/204011618.db2.gz	RVYGISYXHVZBBV-UHFFFAOYSA-N	-2	0	365.223	-0.112	1	0		FBAFRL
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=S)[nH]1	ZINC000001609814	560183001	/nfs/dbraw/zinc/18/30/01/560183001.db2.gz	YIPMDIYPXBPBNC-KVQBGUIXSA-N	-2	0	363.292	-0.171	1	0	in-vitro	FBAFRL
COC[C@H]([NH2+]Cc1c(COP(=O)([O-])[O-])cnc(C)c1O)C(=O)[O-]	ZINC000002047394	560186371	/nfs/dbraw/zinc/18/63/71/560186371.db2.gz	DEHSEGNQBACQEW-JTQLQIEISA-N	-2	0	350.264	-0.106	1	0	in-vitro	FBAFRL
Cc1ncc(COP(=O)([O-])[O-])c(C[NH2+][C@H](C(=O)[O-])[C@H](C)O)c1O	ZINC000002047762	210151087	/nfs/dbraw/zinc/15/10/87/210151087.db2.gz	IZWQBQLGLAKRMN-XVKPBYJWSA-N	-2	0	350.264	-0.371	1	0	in-vivo	FBAFRL
O=S(=O)([O-])C[C@@H]1C[C@@H](CS(=O)(=O)[O-])CC[C@@H]1CS(=O)(=O)[O-]	ZINC000003651246	206987266	/nfs/dbraw/zinc/98/72/66/206987266.db2.gz	ZFKUCQBXDACBMI-YIZRAAEISA-N	-3	0	366.435	-0.318	1	0		FBAFRL
O=P([O-])([O-])OCCOCCOCCOCCOCCOCCO	ZINC000005828801	560203329	/nfs/dbraw/zinc/20/33/29/560203329.db2.gz	PTMCGHPIYOSATH-UHFFFAOYSA-N	-2	0	362.312	-0.829	1	0	in-vitro	FBAFRL
O=c1nc(NO)c(Cl)cn1[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1	ZINC000013835497	211062045	/nfs/dbraw/zinc/06/20/45/211062045.db2.gz	LPQTXABYZTYBDH-RRKCRQDMSA-N	-2	0	357.643	-0.545	1	0		FBAFRL
O=C([O-])CC[C@@H](N[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC000026288795	204848108	/nfs/dbraw/zinc/84/81/08/204848108.db2.gz	ZAZJCLAKQCRBHJ-KOLCDFICSA-N	-3	0	350.283	-0.399	1	0		FBAFRL
C[C@@H](NC(=O)Cc1ccccc1)C(=O)N1O[C@H](C(=O)[O-])C[C@@H]1C(=O)[O-]	ZINC000034849779	204981716	/nfs/dbraw/zinc/98/17/16/204981716.db2.gz	OMGIHILABHATRY-JLLWLGSASA-N	-2	0	350.327	-0.196	1	0		FBAFRL
Nc1nc2c(ncn2CCOC[P@@](=O)([O-])O)c(NCCC(=O)[O-])n1	ZINC000040420587	208252983	/nfs/dbraw/zinc/25/29/83/208252983.db2.gz	PDCFDJLMJALQOA-UHFFFAOYSA-N	-2	0	360.267	-0.553	1	0		FBAFRL
C[C@H](NC(=O)Cc1ccccc1)C(=O)N1O[C@H](C(=O)[O-])C[C@@H]1C(=O)[O-]	ZINC000040567838	205073328	/nfs/dbraw/zinc/07/33/28/205073328.db2.gz	OMGIHILABHATRY-WCQGTBRESA-N	-2	0	350.327	-0.196	1	0		FBAFRL
O=C([O-])C(=O)N[C@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)C(=O)[O-]	ZINC000045367872	220970485	/nfs/dbraw/zinc/97/04/85/220970485.db2.gz	MHBQROQQNRCTTN-GFCCVEGCSA-N	-2	0	366.326	-0.286	1	0		FBAFRL
CC1(C)S[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])[C@H](C(=O)[O-])S1	ZINC000066074917	221239685	/nfs/dbraw/zinc/23/96/85/221239685.db2.gz	SJBHGZFNWQFLKD-APQOSEDMSA-N	-2	0	350.418	-0.141	1	0		FBAFRL
CC1(C)S[C@H](C(=O)[O-])[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])S1	ZINC000066074921	221239678	/nfs/dbraw/zinc/23/96/78/221239678.db2.gz	SJBHGZFNWQFLKD-ARDNSNSESA-N	-2	0	350.418	-0.141	1	0		FBAFRL
Cc1ccccc1-c1cn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)nn1	ZINC000066076737	221240173	/nfs/dbraw/zinc/24/01/73/221240173.db2.gz	FOCMGAXOSZTWIH-AAVRWANBSA-N	-2	0	371.286	-0.018	1	0		FBAFRL
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cc(-c3ccccc3)nn2)[C@H](O)[C@@H]1O	ZINC000066098522	205364620	/nfs/dbraw/zinc/36/46/20/205364620.db2.gz	OFPDGUZXIMYCKW-FDYHWXHSSA-N	-2	0	357.259	-0.326	1	0		FBAFRL
Nc1ccccc1-c1cn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)nn1	ZINC000066102920	221241430	/nfs/dbraw/zinc/24/14/30/221241430.db2.gz	RWMRPJYQYAECAR-FDYHWXHSSA-N	-2	0	372.274	-0.744	1	0		FBAFRL
CCSc1nc(=O)ccn1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000071319154	221342827	/nfs/dbraw/zinc/34/28/27/221342827.db2.gz	HAIWBDSVRZGGKI-PEBGCTIMSA-N	-2	0	368.304	-0.916	1	0		FBAFRL
Cc1ccc(S(=O)(=O)NCCn2nnc(C(=O)[O-])c2C(=O)[O-])cc1	ZINC000095593073	221966622	/nfs/dbraw/zinc/96/66/22/221966622.db2.gz	APEATOYJFRFYNZ-UHFFFAOYSA-N	-2	0	354.344	-0.039	1	0		FBAFRL
CN(CCn1nnc(C(=O)[O-])c1C(=O)[O-])S(=O)(=O)c1ccccc1	ZINC000095595207	209083977	/nfs/dbraw/zinc/08/39/77/209083977.db2.gz	UZAZHTMYEJLQNX-UHFFFAOYSA-N	-2	0	354.344	-0.005	1	0		FBAFRL
CC(=O)N[C@@H](CC[P@@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000096927911	222141792	/nfs/dbraw/zinc/14/17/92/222141792.db2.gz	PTZXXIYPZPFQTH-BDAKNGLRSA-N	-4	0	353.264	-0.198	1	0		FBAFRL
CC(=O)N[C@@H](CC[P@@](=O)([O-])C[C@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000096927912	222141158	/nfs/dbraw/zinc/14/11/58/222141158.db2.gz	PTZXXIYPZPFQTH-IUCAKERBSA-N	-4	0	353.264	-0.198	1	0		FBAFRL