smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(nnn2COCCCCP(=O)([O-])[O-])c(=O)[nH]1	ZINC000013604186	581100435	/nfs/dbraw/zinc/10/04/35/581100435.db2.gz	ORKGRMGLMOIQME-UHFFFAOYSA-N	-2	3	318.230	-0.559	1	0		DBAFHL
O=c1[nH]cnc2c(CN[C@@H](CO)COP(=O)([O-])[O-])c[nH]c21	ZINC000096917765	185391462	/nfs/dbraw/zinc/39/14/62/185391462.db2.gz	OICBWUCRIUYBNO-ZETCQYMHSA-N	-2	3	318.226	-0.777	1	0		DBAFHL
C[C@@H](CP(=O)([O-])[O-])OCCn1cnc2c1ncnc2N	ZINC000072178512	191070605	/nfs/dbraw/zinc/07/06/05/191070605.db2.gz	XHJZUTJRRJKOQX-ZETCQYMHSA-N	-2	3	301.243	-0.009	1	0		DBAFHL
Nc1nc2c(c(=O)[n-]1)NCN2C[C@H]1CO[P@@](=O)([O-])CO1	ZINC000042922922	183318925	/nfs/dbraw/zinc/31/89/25/183318925.db2.gz	KKWHQBVJXYTUHZ-YFKPBYRVSA-N	-2	3	303.215	-0.900	1	0		DBAFHL
Nc1ncnc2c1ncn2C[C@H](CF)OCCP(=O)([O-])[O-]	ZINC000096913314	185391312	/nfs/dbraw/zinc/39/13/12/185391312.db2.gz	PUGCDFLMNODCLJ-ZETCQYMHSA-N	-2	3	319.233	-0.059	1	0		DBAFHL
O=P([O-])([O-])C(O)(Cc1cn2ccccc2n1)P(=O)([O-])[O-]	ZINC000039091765	183014061	/nfs/dbraw/zinc/01/40/61/183014061.db2.gz	GSWUBXXDSFSFSY-UHFFFAOYSA-N	-4	3	322.150	-0.122	1	0		DBAFHL
C[C@H](CP(=O)([O-])[O-])OCCn1cnc2c1nc(N)nc2N	ZINC000072176734	191070390	/nfs/dbraw/zinc/07/03/90/191070390.db2.gz	OABXHQHAUIACOJ-ZCFIWIBFSA-N	-2	3	316.258	-0.427	1	0		DBAFHL
N[C@H](Cc1ccccc1)C(=O)NCC[C@@H](O)P(=O)([O-])[O-]	ZINC000066073896	184387111	/nfs/dbraw/zinc/38/71/11/184387111.db2.gz	QNGGSZDWQQDICZ-MNOVXSKESA-N	-2	3	302.267	-0.441	1	0		DBAFHL
N[C@@H](Cc1ccccc1)C(=O)NCC[C@@H](O)P(=O)([O-])[O-]	ZINC000066073895	184387204	/nfs/dbraw/zinc/38/72/04/184387204.db2.gz	QNGGSZDWQQDICZ-QWRGUYRKSA-N	-2	3	302.267	-0.441	1	0		DBAFHL
Nc1nc2c(c(=O)[n-]1)NCN2C[C@H](CF)OCP(=O)([O-])[O-]	ZINC000042967225	183324214	/nfs/dbraw/zinc/32/42/14/183324214.db2.gz	AICLCLQIJAKRBW-YFKPBYRVSA-N	-3	3	323.221	-0.969	1	0		DBAFHL
Nc1ncnc2c1ncn2Cc1cn(CCP(=O)([O-])[O-])nn1	ZINC000064549808	184299421	/nfs/dbraw/zinc/29/94/21/184299421.db2.gz	KJSKXCRHFCZBOJ-UHFFFAOYSA-N	-2	3	324.241	-0.774	1	0		DBAFHL
N[C@H](Cc1ccccc1)C(=O)NCC[C@H](O)P(=O)([O-])[O-]	ZINC000066073898	184387024	/nfs/dbraw/zinc/38/70/24/184387024.db2.gz	QNGGSZDWQQDICZ-GHMZBOCLSA-N	-2	3	302.267	-0.441	1	0		DBAFHL
Nc1ncnc2c1ncn2C[C@@H](CF)OCCP(=O)([O-])[O-]	ZINC000096913312	185391207	/nfs/dbraw/zinc/39/12/07/185391207.db2.gz	PUGCDFLMNODCLJ-SSDOTTSWSA-N	-2	3	319.233	-0.059	1	0		DBAFHL
C[C@H](CP(=O)([O-])[O-])OCCn1cnc2c1ncnc2N	ZINC000072178513	191070325	/nfs/dbraw/zinc/07/03/25/191070325.db2.gz	XHJZUTJRRJKOQX-SSDOTTSWSA-N	-2	3	301.243	-0.009	1	0		DBAFHL
CSCC[C@H](N)C(=O)N[C@@]1(C(=O)[O-])CC[C@H]2[C@H](C(=O)[O-])[C@H]21	ZINC000003979746	181059424	/nfs/dbraw/zinc/05/94/24/181059424.db2.gz	RIVCHAZJUYIKRF-ONXMKFCISA-N	-2	3	316.379	-0.253	1	0		DBAFHL
COc1ccccc1[N-]S(=O)(=O)c1c(N)[nH]c(=O)[n-]c1=O	ZINC000015952729	182026757	/nfs/dbraw/zinc/02/67/57/182026757.db2.gz	QJRSLGISKUJFDZ-UHFFFAOYSA-N	-2	3	312.307	-0.545	3	0		DBAFHL
O=P([O-])([O-])C(Cn1cnc2cncnc21)P(=O)([O-])[O-]	ZINC000040846382	183141177	/nfs/dbraw/zinc/14/11/77/183141177.db2.gz	JGHPTTVGCUEGGI-UHFFFAOYSA-N	-4	3	308.127	-0.492	1	0	in-vivo	DBAFHL
O=C([O-])C1(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCCC1	ZINC000040879718	183146076	/nfs/dbraw/zinc/14/60/76/183146076.db2.gz	YCDLAHCVQJZLBR-UHFFFAOYSA-N	-5	3	317.171	-0.044	1	0		DBAFHL
Nc1nc2c(c(=O)[n-]1)NCN2C[C@@H](CF)OCP(=O)([O-])[O-]	ZINC000042967223	183324590	/nfs/dbraw/zinc/32/45/90/183324590.db2.gz	AICLCLQIJAKRBW-RXMQYKEDSA-N	-3	3	323.221	-0.969	1	0		DBAFHL
CCCn1cc[n+](CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])c1	ZINC000095589504	185382226	/nfs/dbraw/zinc/38/22/26/185382226.db2.gz	RBRGNVBEWHKUNL-UHFFFAOYSA-O	-3	3	315.179	-0.813	1	0		DBAFHL
O=C(c1ccco1)[C@@H]1SCC(=O)N1Nc1nc([O-])cc(=O)[n-]1	ZINC000005838647	181288704	/nfs/dbraw/zinc/28/87/04/181288704.db2.gz	IZEMAPASCCZASY-NSHDSACASA-N	-2	3	322.302	-0.729	1	0		DBAFHL
N[C@@H](Cc1ccccc1)C(=O)NCC[C@H](O)P(=O)([O-])[O-]	ZINC000066073897	184387151	/nfs/dbraw/zinc/38/71/51/184387151.db2.gz	QNGGSZDWQQDICZ-WDEREUQCSA-N	-2	3	302.267	-0.441	1	0		DBAFHL
Nc1ccn([C@@H]2O[C@H](/C=C/P(=O)([O-])[O-])[C@@H](O)[C@H]2F)c(=O)n1	ZINC000096927009	185392138	/nfs/dbraw/zinc/39/21/38/185392138.db2.gz	HLBCEPQXFNDWDW-LNFZUNPYSA-N	-2	3	321.201	-0.887	1	0		DBAFHL
C[C@@H](CP(=O)([O-])[O-])OCCn1cnc2c1nc(N)nc2N	ZINC000072176733	191070797	/nfs/dbraw/zinc/07/07/97/191070797.db2.gz	OABXHQHAUIACOJ-LURJTMIESA-N	-2	3	316.258	-0.427	1	0		DBAFHL
Nc1nc2c(c(=O)[n-]1)NCN2C[C@@H]1CO[P@@](=O)([O-])CO1	ZINC000042922926	183319327	/nfs/dbraw/zinc/31/93/27/183319327.db2.gz	KKWHQBVJXYTUHZ-RXMQYKEDSA-N	-2	3	303.215	-0.900	1	0		DBAFHL
Nc1ncnc2c1ncn2Cc1cn(CP(=O)([O-])[O-])nn1	ZINC000064548549	184299238	/nfs/dbraw/zinc/29/92/38/184299238.db2.gz	AASVMBOCFRLNAM-UHFFFAOYSA-N	-2	3	310.214	-0.817	1	0		DBAFHL
CC(=O)Nc1ccn([C@H]2CO[C@@H](CP(=O)([O-])[O-])O2)c(=O)n1	ZINC000005856566	181289919	/nfs/dbraw/zinc/28/99/19/181289919.db2.gz	UMZYMNOFMAMXBB-RKDXNWHRSA-N	-2	3	319.210	-0.749	1	0		DBAFHL
O=c1[nH]c(=O)n(CC=CP(=O)([O-])[O-])cc1Br	ZINC000066101331	184388904	/nfs/dbraw/zinc/38/89/04/184388904.db2.gz	FIUKGWJIFZPZDA-HNQUOIGGSA-N	-2	3	311.028	-0.010	1	0		DBAFHL
Nc1nc2c(nnn2CCCCCP(=O)([O-])[O-])c(=O)[nH]1	ZINC000013604182	581100399	/nfs/dbraw/zinc/10/03/99/581100399.db2.gz	BLMANVQMJUPUCT-UHFFFAOYSA-N	-2	3	302.231	-0.143	1	0		DBAFHL