smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCC(=O)[O-])n1	ZINC000600654778	373688103	/nfs/dbraw/zinc/68/81/03/373688103.db2.gz	FBPOSVJSJNZWRK-UHFFFAOYSA-N	-2	0	308.272	-1.292	20	5		DABDRL
O=C([O-])C[C@H](C(=O)Oc1ncc([N+](=O)[O-])cn1)[C@H](O)C(=O)[O-]	ZINC001226733117	780335521	/nfs/dbraw/zinc/33/55/21/780335521.db2.gz	HNEAIRPTCVTDCA-FSPLSTOPSA-N	-2	0	315.194	-1.173	20	5		DABDRL
O=C([O-])C[C@@H](C(=O)Oc1ncc([N+](=O)[O-])cn1)[C@H](O)C(=O)[O-]	ZINC001226733119	780335726	/nfs/dbraw/zinc/33/57/26/780335726.db2.gz	HNEAIRPTCVTDCA-VDTYLAMSSA-N	-2	0	315.194	-1.173	20	5		DABDRL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000859209261	663911832	/nfs/dbraw/zinc/91/18/32/663911832.db2.gz	ZUSZJNQTISTSPF-UHFFFAOYSA-N	-2	0	307.288	-1.326	20	5		DABDRL
O=C([O-])C[C@H](C(=O)Oc1ncncc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228659295	780350230	/nfs/dbraw/zinc/35/02/30/780350230.db2.gz	IIOFLHULNRACOW-FFWSUHOLSA-N	-2	0	315.194	-1.173	20	5		DABDRL
O=C([O-])C[C@H](C(=O)Oc1ncncc1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228659296	780351428	/nfs/dbraw/zinc/35/14/28/780351428.db2.gz	IIOFLHULNRACOW-MHTLYPKNSA-N	-2	0	315.194	-1.173	20	5		DABDRL
O=C(Oc1ncc([N+](=O)[O-])cn1)[C@H](O)COP(=O)([O-])[O-]	ZINC001226733998	780335610	/nfs/dbraw/zinc/33/56/10/780335610.db2.gz	VOCYMZGQGHKWIS-RXMQYKEDSA-N	-2	0	309.127	-1.240	20	5		DABDRL
O=C([O-])C[C@@H](C(=O)Oc1ncncc1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228659293	780351630	/nfs/dbraw/zinc/35/16/30/780351630.db2.gz	IIOFLHULNRACOW-CLZZGJSISA-N	-2	0	315.194	-1.173	20	5		DABDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)n1	ZINC000600653784	373688609	/nfs/dbraw/zinc/68/86/09/373688609.db2.gz	NUWMSGLYXKAXAU-VIFPVBQESA-N	-2	0	320.283	-1.150	20	5		DABDRL
O=C(Oc1cc[n+]([O-])cc1[N+](=O)[O-])[C@H](O)COP(=O)([O-])[O-]	ZINC001229456091	780356172	/nfs/dbraw/zinc/35/61/72/780356172.db2.gz	QSYUCWQTDNQULZ-ZCFIWIBFSA-N	-2	0	324.138	-1.396	20	5		DABDRL
O=C(Oc1ncncc1[N+](=O)[O-])[C@H](O)COP(=O)([O-])[O-]	ZINC001228661695	916170378	/nfs/dbraw/zinc/17/03/78/916170378.db2.gz	ZAGSAKHYPOYIBM-RXMQYKEDSA-N	-2	0	309.127	-1.240	20	5		DABDRL
O=C([O-])C[C@@H](C(=O)Oc1ncc([N+](=O)[O-])cn1)[C@@H](O)C(=O)[O-]	ZINC001226733118	780335991	/nfs/dbraw/zinc/33/59/91/780335991.db2.gz	HNEAIRPTCVTDCA-IYSWYEEDSA-N	-2	0	315.194	-1.173	20	5		DABDRL
COC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600655110	373688832	/nfs/dbraw/zinc/68/88/32/373688832.db2.gz	IPVBRIMUVYVLTL-RXMQYKEDSA-N	-2	0	308.272	-1.294	20	5		DABDRL
COC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600655111	373689176	/nfs/dbraw/zinc/68/91/76/373689176.db2.gz	IPVBRIMUVYVLTL-YFKPBYRVSA-N	-2	0	308.272	-1.294	20	5		DABDRL
O=C([O-])C[C@H](C(=O)Oc1ncc([N+](=O)[O-])cn1)[C@@H](O)C(=O)[O-]	ZINC001226733116	780336282	/nfs/dbraw/zinc/33/62/82/780336282.db2.gz	HNEAIRPTCVTDCA-CAHLUQPWSA-N	-2	0	315.194	-1.173	20	5		DABDRL
O=C([O-])C[C@@H](C(=O)Oc1ncncc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228659294	780351129	/nfs/dbraw/zinc/35/11/29/780351129.db2.gz	IIOFLHULNRACOW-FBCQKBJTSA-N	-2	0	315.194	-1.173	20	5		DABDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)n1	ZINC000600653781	373689101	/nfs/dbraw/zinc/68/91/01/373689101.db2.gz	NUWMSGLYXKAXAU-SECBINFHSA-N	-2	0	320.283	-1.150	20	5		DABDRL