smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c(=O)n3[n-]c(C(=O)Nc4nnn[n-]4)cc3nc12	ZINC000027851833	202159930	/nfs/dbraw/zinc/15/99/30/202159930.db2.gz	QFQADWAELYGGTB-UHFFFAOYSA-N	-2	3	326.276	0.362	1	0		ECAFHL
O=P([O-])([O-])C(Nc1nccn1Cc1ccccc1)P(=O)([O-])[O-]	ZINC000026737755	202148044	/nfs/dbraw/zinc/14/80/44/202148044.db2.gz	YMQWRNLJENPKRM-UHFFFAOYSA-N	-4	3	347.204	0.982	1	0		ECAFHL
O=C(COc1ccccc1)N[C@H](Cn1cncn1)CP(=O)([O-])[O-]	ZINC000026162602	202139983	/nfs/dbraw/zinc/13/99/83/202139983.db2.gz	LWPVRQFHZOSLCV-LLVKDONJSA-N	-2	3	340.276	0.020	1	0		ECAFHL
O=c1[nH]c(=O)n(CC=CCP(=O)([O-])[O-])cc1Br	ZINC000066101335	215011013	/nfs/dbraw/zinc/01/10/13/215011013.db2.gz	RESRQKJRDNSRDO-OWOJBTEDSA-N	-2	3	325.055	0.033	1	0		ECAFHL
Cc1ccc2ccc[n+](CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])c2c1	ZINC000035049981	213005529	/nfs/dbraw/zinc/00/55/29/213005529.db2.gz	SYYPQNZXFKDHHG-UHFFFAOYSA-O	-3	3	348.208	0.437	1	0		ECAFHL
O=P([O-])([O-])C(C[n+]1cccc(C(F)(F)F)c1)P(=O)([O-])[O-]	ZINC000035049967	213004850	/nfs/dbraw/zinc/00/48/50/213004850.db2.gz	IETDNUQGTOWOKT-UHFFFAOYSA-O	-3	3	336.119	0.674	1	0		ECAFHL
O=C([O-])C1(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCCCC1	ZINC000040880242	213397032	/nfs/dbraw/zinc/39/70/32/213397032.db2.gz	CBLYUUAGANEYRO-UHFFFAOYSA-N	-5	3	331.198	0.346	1	0		ECAFHL
Nc1nc2c(ncn2Cc2ccccc2C=CP(=O)([O-])[O-])c(=O)[nH]1	ZINC000002014100	581100150	/nfs/dbraw/zinc/10/01/50/581100150.db2.gz	ZIHFEHLASQGCRW-AATRIKPKSA-N	-2	3	347.271	0.899	1	0		ECAFHL
O=C(C1=CC(P(=O)([O-])[O-])(P(=O)([O-])[O-])NN1)c1ccccc1	ZINC000028772237	202176744	/nfs/dbraw/zinc/17/67/44/202176744.db2.gz	CPDHVIDLBUSJJG-UHFFFAOYSA-N	-4	3	334.161	0.228	1	0		ECAFHL
O=P([O-])([O-])C(O)(CCCCC[NH+]1CCCC1)P(=O)([O-])[O-]	ZINC000027206768	202153351	/nfs/dbraw/zinc/15/33/51/202153351.db2.gz	GZKCHWCZAJPTAY-UHFFFAOYSA-N	-3	3	331.242	0.644	1	0		ECAFHL
O=C(Cc1cccs1)N[C@@H](Cn1cncn1)CP(=O)([O-])[O-]	ZINC000026184463	202140186	/nfs/dbraw/zinc/14/01/86/202140186.db2.gz	OAOXCHCWXUMKPH-VIFPVBQESA-N	-2	3	330.306	0.245	1	0		ECAFHL
O=P([O-])([O-])C(Nc1nccn1-c1ccccc1)P(=O)([O-])[O-]	ZINC000026741838	202147703	/nfs/dbraw/zinc/14/77/03/202147703.db2.gz	GQZPWXFCNKYYNO-UHFFFAOYSA-N	-4	3	333.177	0.923	1	0		ECAFHL
Nc1ncnc2c1ncn2[C@@H]1C[C@H](CCP(=O)([O-])[O-])C[C@@H]1O	ZINC000029308546	202184209	/nfs/dbraw/zinc/18/42/09/202184209.db2.gz	CSGNCBBJDOJZRT-YIZRAAEISA-N	-2	3	327.281	0.288	1	0		ECAFHL
CC[C@@H]([NH2+]Cc1c(COP(=O)([O-])[O-])cnc(C)c1[O-])C(=O)[O-]	ZINC000002047163	560186353	/nfs/dbraw/zinc/18/63/53/560186353.db2.gz	VRMPGTOTVVJQMU-SNVBAGLBSA-N	-3	3	334.265	0.658	1	0	in-vitro	ECAFHL
O=c1[nH]c(=O)n(CC=CCCP(=O)([O-])[O-])cc1Br	ZINC000066103521	215011541	/nfs/dbraw/zinc/01/15/41/215011541.db2.gz	UBSZOBUHNRQZAW-OWOJBTEDSA-N	-2	3	339.082	0.423	1	0		ECAFHL
Cc1c[n-]n2c1nc(SCc1[nH]c(=O)[n-]c(=O)c1Cl)nc2=O	ZINC000103288847	219284872	/nfs/dbraw/zinc/28/48/72/219284872.db2.gz	FBEVSRBGVWZVRF-UHFFFAOYSA-N	-2	3	340.752	0.048	1	0		ECAFHL
Nc1nc2c(cnn2COCCCCCP(=O)([O-])[O-])c(=O)[nH]1	ZINC000013604177	581100352	/nfs/dbraw/zinc/10/03/52/581100352.db2.gz	GQKAJGFILWNZTA-UHFFFAOYSA-N	-2	3	331.269	0.436	1	0		ECAFHL
Cc1ccc2c(ccc[n+]2CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])c1	ZINC000035049980	213005420	/nfs/dbraw/zinc/00/54/20/213005420.db2.gz	AXDGDQXAIXQJDS-UHFFFAOYSA-O	-3	3	348.208	0.437	1	0		ECAFHL
O=P([O-])([O-])C(Nc1ccc(Br)cn1)P(=O)([O-])[O-]	ZINC000006536581	581102297	/nfs/dbraw/zinc/10/22/97/581102297.db2.gz	QMTRPEYMFKONLX-UHFFFAOYSA-N	-4	3	346.998	0.895	1	0		ECAFHL
O=P([O-])([O-])C(Cn1cnc2c1ncnc2Cl)P(=O)([O-])[O-]	ZINC000040836037	213391517	/nfs/dbraw/zinc/39/15/17/213391517.db2.gz	SCQIYVIHMOWGRK-UHFFFAOYSA-N	-4	3	342.572	0.161	1	0	in-vivo	ECAFHL
O=c1[n-]cnc2c1ncn2CC[C@@H]1C[C@H]1C(F)(F)P(=O)([O-])[O-]	ZINC000004805684	210281594	/nfs/dbraw/zinc/28/15/94/210281594.db2.gz	QVQSDTSXZCLYNT-RNFRBKRXSA-N	-3	3	334.219	0.916	1	0		ECAFHL
O=C(Nc1cccc(C(F)(F)F)c1)C([O-])=C1NC(=S)[N-]C1=O	ZINC000102960084	219244153	/nfs/dbraw/zinc/24/41/53/219244153.db2.gz	OGOXFBDSAVPZJB-SSDOTTSWSA-N	-2	3	331.275	0.586	1	0		ECAFHL
O=C(Nc1cccc(C(F)(F)F)c1)C([O-])=C1NC(=S)[N-]C1=O	ZINC000102960086	219244022	/nfs/dbraw/zinc/24/40/22/219244022.db2.gz	OGOXFBDSAVPZJB-ZETCQYMHSA-N	-2	3	331.275	0.586	1	0		ECAFHL