smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])(O)C(Nc1cccnc1)[P@](=O)([O-])O	ZINC000005933531	170157930	/nfs/dbraw/zinc/15/79/30/170157930.db2.gz	IFOAJHQSAXHBDS-UHFFFAOYSA-N	-2	2	268.102	0.133	1	0		CCAFLL
O=P([O-])(O)C(Nc1cccnc1)[P@@](=O)([O-])O	ZINC000005933531	170157931	/nfs/dbraw/zinc/15/79/31/170157931.db2.gz	IFOAJHQSAXHBDS-UHFFFAOYSA-N	-2	2	268.102	0.133	1	0		CCAFLL
O=P([O-])(O)[C@H](C[P@](=O)([O-])O)c1ccccn1	ZINC000005940752	170159468	/nfs/dbraw/zinc/15/94/68/170159468.db2.gz	MOGYYGYIIWDQFH-SSDOTTSWSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)[C@H](C[P@@](=O)([O-])O)c1ccccn1	ZINC000005940752	170159470	/nfs/dbraw/zinc/15/94/70/170159470.db2.gz	MOGYYGYIIWDQFH-SSDOTTSWSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)C[C@H](c1ccccn1)[P@@](=O)([O-])O	ZINC000005940752	170159472	/nfs/dbraw/zinc/15/94/72/170159472.db2.gz	MOGYYGYIIWDQFH-SSDOTTSWSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)C[C@H](c1ccccn1)[P@](=O)([O-])O	ZINC000005940752	170159474	/nfs/dbraw/zinc/15/94/74/170159474.db2.gz	MOGYYGYIIWDQFH-SSDOTTSWSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)[C@@H](C[P@](=O)([O-])O)c1ccccn1	ZINC000005940805	170158801	/nfs/dbraw/zinc/15/88/01/170158801.db2.gz	MOGYYGYIIWDQFH-ZETCQYMHSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)[C@@H](C[P@@](=O)([O-])O)c1ccccn1	ZINC000005940805	170158802	/nfs/dbraw/zinc/15/88/02/170158802.db2.gz	MOGYYGYIIWDQFH-ZETCQYMHSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)C[C@@H](c1ccccn1)[P@@](=O)([O-])O	ZINC000005940805	170158803	/nfs/dbraw/zinc/15/88/03/170158803.db2.gz	MOGYYGYIIWDQFH-ZETCQYMHSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)C[C@@H](c1ccccn1)[P@](=O)([O-])O	ZINC000005940805	170158804	/nfs/dbraw/zinc/15/88/04/170158804.db2.gz	MOGYYGYIIWDQFH-ZETCQYMHSA-N	-2	2	267.114	0.478	1	0		CCAFLL
C[C@H](N[P@@](=O)([O-])O)C(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC000026936284	581095507	/nfs/dbraw/zinc/09/55/07/581095507.db2.gz	FORHJELNQODCPU-ACZMJKKPSA-N	-2	2	265.202	0.127	1	0		CCAFLL
C[C@H](N[P@](=O)([O-])O)C(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC000026936284	581095508	/nfs/dbraw/zinc/09/55/08/581095508.db2.gz	FORHJELNQODCPU-ACZMJKKPSA-N	-2	2	265.202	0.127	1	0		CCAFLL
O=P([O-])(O)C(O)(C1CCCCC1)[P@](=O)([O-])O	ZINC000005840285	170145990	/nfs/dbraw/zinc/14/59/90/170145990.db2.gz	YMOJUZRGXNRXAD-UHFFFAOYSA-N	-2	2	274.146	0.568	1	0		CCAFLL
O=P([O-])(O)C(O)(C1CCCCC1)[P@@](=O)([O-])O	ZINC000005840285	170145989	/nfs/dbraw/zinc/14/59/89/170145989.db2.gz	YMOJUZRGXNRXAD-UHFFFAOYSA-N	-2	2	274.146	0.568	1	0		CCAFLL
CCCC[S@@](=O)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000095583583	185012659	/nfs/dbraw/zinc/01/26/59/185012659.db2.gz	LYAYZHXHERXZBO-INIZCTEOSA-N	-2	2	294.202	0.217	1	0		CCAFLL
CCCC[S@@](=O)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000095583583	185012660	/nfs/dbraw/zinc/01/26/60/185012660.db2.gz	LYAYZHXHERXZBO-INIZCTEOSA-N	-2	2	294.202	0.217	1	0		CCAFLL
O=P([O-])(O)C(C[C@H]1CCCC[NH2+]1)[P@](=O)([O-])O	ZINC000003780933	581102161	/nfs/dbraw/zinc/10/21/61/581102161.db2.gz	TXRLEBBHLXZUOJ-ZCFIWIBFSA-N	-3	2	273.162	0.200	1	0		CCAFLL
CCCCCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000013473667	581097870	/nfs/dbraw/zinc/09/78/70/581097870.db2.gz	LBPHBRVNBKGYTP-UHFFFAOYSA-N	-2	2	262.135	0.568	1	0		CCAFLL
CCCCCC(O)(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000013473667	581097871	/nfs/dbraw/zinc/09/78/71/581097871.db2.gz	LBPHBRVNBKGYTP-UHFFFAOYSA-N	-2	2	262.135	0.568	1	0		CCAFLL
C[C@H](N[P@@](=O)([O-])O)C(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC000299805008	581095407	/nfs/dbraw/zinc/09/54/07/581095407.db2.gz	FORHJELNQODCPU-RRKCRQDMSA-N	-2	2	265.202	0.127	1	0		CCAFLL
C[C@H](N[P@](=O)([O-])O)C(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC000299805008	581095408	/nfs/dbraw/zinc/09/54/08/581095408.db2.gz	FORHJELNQODCPU-RRKCRQDMSA-N	-2	2	265.202	0.127	1	0		CCAFLL
O=P([O-])(O)C(c1ccc(O)cc1)[P@@](=O)([O-])O	ZINC000039241285	174166782	/nfs/dbraw/zinc/16/67/82/174166782.db2.gz	GYYATWLNBFUCJX-UHFFFAOYSA-N	-2	2	268.098	0.746	1	0		CCAFLL
O=P([O-])(O)C(c1ccc(O)cc1)[P@](=O)([O-])O	ZINC000039241285	174166784	/nfs/dbraw/zinc/16/67/84/174166784.db2.gz	GYYATWLNBFUCJX-UHFFFAOYSA-N	-2	2	268.098	0.746	1	0		CCAFLL
C[C@@H](N[P@@](=O)([O-])O)C(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC000026936278	581095502	/nfs/dbraw/zinc/09/55/02/581095502.db2.gz	FORHJELNQODCPU-VQVTYTSYSA-N	-2	2	265.202	0.127	1	0		CCAFLL
C[C@@H](N[P@](=O)([O-])O)C(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC000026936278	581095503	/nfs/dbraw/zinc/09/55/03/581095503.db2.gz	FORHJELNQODCPU-VQVTYTSYSA-N	-2	2	265.202	0.127	1	0		CCAFLL
O=P([O-])(O)[C@H](C[P@](=O)([O-])O)c1cccnc1	ZINC000005933543	170157805	/nfs/dbraw/zinc/15/78/05/170157805.db2.gz	UMDOGFHRQCJNDJ-SSDOTTSWSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)[C@H](C[P@@](=O)([O-])O)c1cccnc1	ZINC000005933543	170157807	/nfs/dbraw/zinc/15/78/07/170157807.db2.gz	UMDOGFHRQCJNDJ-SSDOTTSWSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)C[C@H](c1cccnc1)[P@@](=O)([O-])O	ZINC000005933543	170157808	/nfs/dbraw/zinc/15/78/08/170157808.db2.gz	UMDOGFHRQCJNDJ-SSDOTTSWSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)C[C@H](c1cccnc1)[P@](=O)([O-])O	ZINC000005933543	170157810	/nfs/dbraw/zinc/15/78/10/170157810.db2.gz	UMDOGFHRQCJNDJ-SSDOTTSWSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)[C@H](C[P@](=O)([O-])O)c1ccncc1	ZINC000005940959	170158787	/nfs/dbraw/zinc/15/87/87/170158787.db2.gz	LMEUGMVMKAWITH-SSDOTTSWSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)[C@H](C[P@@](=O)([O-])O)c1ccncc1	ZINC000005940959	170158788	/nfs/dbraw/zinc/15/87/88/170158788.db2.gz	LMEUGMVMKAWITH-SSDOTTSWSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)C[C@H](c1ccncc1)[P@@](=O)([O-])O	ZINC000005940959	170158789	/nfs/dbraw/zinc/15/87/89/170158789.db2.gz	LMEUGMVMKAWITH-SSDOTTSWSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)C[C@H](c1ccncc1)[P@](=O)([O-])O	ZINC000005940959	170158790	/nfs/dbraw/zinc/15/87/90/170158790.db2.gz	LMEUGMVMKAWITH-SSDOTTSWSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)C(CSc1ncc[nH]1)[P@](=O)([O-])O	ZINC000040379054	174249933	/nfs/dbraw/zinc/24/99/33/174249933.db2.gz	KVMQBCIVXMEYRO-UHFFFAOYSA-N	-2	2	288.158	0.183	1	0	in-vivo	CCAFLL
O=P([O-])(O)C(CSc1ncc[nH]1)[P@@](=O)([O-])O	ZINC000040379054	174249934	/nfs/dbraw/zinc/24/99/34/174249934.db2.gz	KVMQBCIVXMEYRO-UHFFFAOYSA-N	-2	2	288.158	0.183	1	0	in-vivo	CCAFLL
Cc1ccc[nH+]c1NCC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000026735193	581092549	/nfs/dbraw/zinc/09/25/49/581092549.db2.gz	MEVVOZVAMXABEA-UHFFFAOYSA-N	-4	2	296.156	0.483	1	0		CCAFLL
O=P([O-])(O)[C@@H](C[P@](=O)([O-])O)c1ccncc1	ZINC000005940963	170159494	/nfs/dbraw/zinc/15/94/94/170159494.db2.gz	LMEUGMVMKAWITH-ZETCQYMHSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)[C@@H](C[P@@](=O)([O-])O)c1ccncc1	ZINC000005940963	170159496	/nfs/dbraw/zinc/15/94/96/170159496.db2.gz	LMEUGMVMKAWITH-ZETCQYMHSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)C[C@@H](c1ccncc1)[P@@](=O)([O-])O	ZINC000005940963	170159497	/nfs/dbraw/zinc/15/94/97/170159497.db2.gz	LMEUGMVMKAWITH-ZETCQYMHSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)C[C@@H](c1ccncc1)[P@](=O)([O-])O	ZINC000005940963	170159499	/nfs/dbraw/zinc/15/94/99/170159499.db2.gz	LMEUGMVMKAWITH-ZETCQYMHSA-N	-2	2	267.114	0.478	1	0		CCAFLL
CCCC[S@](=O)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000095583584	185012875	/nfs/dbraw/zinc/01/28/75/185012875.db2.gz	LYAYZHXHERXZBO-MRXNPFEDSA-N	-2	2	294.202	0.217	1	0		CCAFLL
CCCC[S@](=O)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000095583584	185012876	/nfs/dbraw/zinc/01/28/76/185012876.db2.gz	LYAYZHXHERXZBO-MRXNPFEDSA-N	-2	2	294.202	0.217	1	0		CCAFLL
O=P([O-])(O)C(CNc1cccnc1)[P@](=O)([O-])O	ZINC000040753185	174395525	/nfs/dbraw/zinc/39/55/25/174395525.db2.gz	STDKVLBTTDNISE-UHFFFAOYSA-N	-2	2	282.129	0.175	1	0		CCAFLL
O=P([O-])(O)C(CNc1cccnc1)[P@@](=O)([O-])O	ZINC000040753185	174395527	/nfs/dbraw/zinc/39/55/27/174395527.db2.gz	STDKVLBTTDNISE-UHFFFAOYSA-N	-4	2	282.129	0.175	1	0		CCAFLL
C[C@H](N[P@@](=O)([O-])O)C(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000299805007	581095438	/nfs/dbraw/zinc/09/54/38/581095438.db2.gz	FORHJELNQODCPU-LYFYHCNISA-N	-2	2	265.202	0.127	1	0		CCAFLL
C[C@H](N[P@](=O)([O-])O)C(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000299805007	581095439	/nfs/dbraw/zinc/09/54/39/581095439.db2.gz	FORHJELNQODCPU-LYFYHCNISA-N	-2	2	265.202	0.127	1	0		CCAFLL
O=P([O-])(O)[C@@H](C[P@](=O)([O-])O)c1cccnc1	ZINC000005933547	170157966	/nfs/dbraw/zinc/15/79/66/170157966.db2.gz	UMDOGFHRQCJNDJ-ZETCQYMHSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)[C@@H](C[P@@](=O)([O-])O)c1cccnc1	ZINC000005933547	170157967	/nfs/dbraw/zinc/15/79/67/170157967.db2.gz	UMDOGFHRQCJNDJ-ZETCQYMHSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)C[C@@H](c1cccnc1)[P@@](=O)([O-])O	ZINC000005933547	170157968	/nfs/dbraw/zinc/15/79/68/170157968.db2.gz	UMDOGFHRQCJNDJ-ZETCQYMHSA-N	-2	2	267.114	0.478	1	0		CCAFLL
O=P([O-])(O)C[C@@H](c1cccnc1)[P@](=O)([O-])O	ZINC000005933547	170157970	/nfs/dbraw/zinc/15/79/70/170157970.db2.gz	UMDOGFHRQCJNDJ-ZETCQYMHSA-N	-2	2	267.114	0.478	1	0		CCAFLL
C[C@@H](N[P@@](=O)([O-])O)C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000026936269	581095400	/nfs/dbraw/zinc/09/54/00/581095400.db2.gz	FORHJELNQODCPU-QYNIQEEDSA-N	-2	2	265.202	0.127	1	0		CCAFLL
C[C@@H](N[P@](=O)([O-])O)C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000026936269	581095401	/nfs/dbraw/zinc/09/54/01/581095401.db2.gz	FORHJELNQODCPU-QYNIQEEDSA-N	-2	2	265.202	0.127	1	0		CCAFLL
C[C@H](N[P@@](=O)([O-])O)C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000026936275	581095452	/nfs/dbraw/zinc/09/54/52/581095452.db2.gz	FORHJELNQODCPU-XVMARJQXSA-N	-2	2	265.202	0.127	1	0		CCAFLL
C[C@H](N[P@](=O)([O-])O)C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000026936275	581095453	/nfs/dbraw/zinc/09/54/53/581095453.db2.gz	FORHJELNQODCPU-XVMARJQXSA-N	-2	2	265.202	0.127	1	0		CCAFLL
Cc1csc(NC(P(=O)([O-])O)[P@@](=O)([O-])O)n1	ZINC000028471464	581094684	/nfs/dbraw/zinc/09/46/84/581094684.db2.gz	WPRZJIVPPUKPKR-UHFFFAOYSA-N	-2	2	288.158	0.502	1	0		CCAFLL
Cc1csc(NC(P(=O)([O-])O)[P@](=O)([O-])O)n1	ZINC000028471464	581094685	/nfs/dbraw/zinc/09/46/85/581094685.db2.gz	WPRZJIVPPUKPKR-UHFFFAOYSA-N	-2	2	288.158	0.502	1	0		CCAFLL
O=P([O-])(O)C(O)(Cc1ccccc1)[P@@](=O)([O-])O	ZINC000021992002	171346598	/nfs/dbraw/zinc/34/65/98/171346598.db2.gz	DNTYYKAZXNGNBX-UHFFFAOYSA-N	-2	2	282.125	0.231	1	0		CCAFLL
O=P([O-])(O)C(O)(Cc1ccccc1)[P@](=O)([O-])O	ZINC000021992002	171346599	/nfs/dbraw/zinc/34/65/99/171346599.db2.gz	DNTYYKAZXNGNBX-UHFFFAOYSA-N	-2	2	282.125	0.231	1	0		CCAFLL
O=P([O-])(O)C(C[C@@H]1CCCC[NH2+]1)[P@](=O)([O-])O	ZINC000001536800	581102243	/nfs/dbraw/zinc/10/22/43/581102243.db2.gz	TXRLEBBHLXZUOJ-LURJTMIESA-N	-3	2	273.162	0.200	1	0		CCAFLL
CCSCC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000095584547	185013176	/nfs/dbraw/zinc/01/31/76/185013176.db2.gz	MGLNOCWTGSDLAE-UHFFFAOYSA-N	-2	2	250.149	0.421	1	0		CCAFLL
CCSCC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000095584547	185013178	/nfs/dbraw/zinc/01/31/78/185013178.db2.gz	MGLNOCWTGSDLAE-UHFFFAOYSA-N	-2	2	250.149	0.421	1	0		CCAFLL
Cc1cc[nH+]c(NC(P(=O)([O-])O)[P@@](=O)([O-])O)c1	ZINC000013473669	581092511	/nfs/dbraw/zinc/09/25/11/581092511.db2.gz	BAYFWSDXNJQZPY-UHFFFAOYSA-N	-4	2	282.129	0.441	1	0		CCAFLL
O=P([O-])(O)C(F)(Cc1cccnc1)[P@](=O)([O-])O	ZINC000028866114	581102176	/nfs/dbraw/zinc/10/21/76/581102176.db2.gz	HHDUHWLBPDOLIL-UHFFFAOYSA-N	-2	2	285.104	0.603	1	0	in-vitro	CCAFLL
O=P([O-])(O)C(F)(Cc1cccnc1)[P@@](=O)([O-])O	ZINC000028866114	581102177	/nfs/dbraw/zinc/10/21/77/581102177.db2.gz	HHDUHWLBPDOLIL-UHFFFAOYSA-N	-2	2	285.104	0.603	1	0	in-vitro	CCAFLL
O=P([O-])(O)C(O)(CCc1cccnc1)[P@@](=O)([O-])O	ZINC000001887269	581102269	/nfs/dbraw/zinc/10/22/69/581102269.db2.gz	ILROXFQHACCDLA-UHFFFAOYSA-N	-2	2	297.140	0.016	1	0	in-vivo	CCAFLL
O=P([O-])(O)C(O)(CCc1cccnc1)[P@](=O)([O-])O	ZINC000001887269	581102270	/nfs/dbraw/zinc/10/22/70/581102270.db2.gz	ILROXFQHACCDLA-UHFFFAOYSA-N	-2	2	297.140	0.016	1	0	in-vivo	CCAFLL