smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(C2CC2)n1	ZINC000328971628	444429195	/nfs/dbraw/zinc/42/91/95/444429195.db2.gz	DQQXFFGEQPZLGM-UHFFFAOYSA-N	-1	1	343.343	1.215	40	5		EDBBMM
O=C([O-])CNc1nc(NCc2ccccc2[N+](=O)[O-])cc(C2CC2)n1	ZINC000328991197	444436714	/nfs/dbraw/zinc/43/67/14/444436714.db2.gz	ISCBAVJLELJVMG-UHFFFAOYSA-N	-1	1	343.343	1.215	40	5		EDBBMM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(OC)c1O	ZINC000108599212	441469294	/nfs/dbraw/zinc/46/92/94/441469294.db2.gz	YDXKQLJOYHRKGT-ARJAWSKDSA-N	-1	1	335.272	1.689	40	5		EDBBMM
COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1[N+](=O)[O-]	ZINC000033399125	441595093	/nfs/dbraw/zinc/59/50/93/441595093.db2.gz	XSBHBWYZSREINK-HYXAFXHYSA-N	-1	1	334.244	1.471	40	5		EDBBMM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(OC)c1O	ZINC000016195056	441217035	/nfs/dbraw/zinc/21/70/35/441217035.db2.gz	YDXKQLJOYHRKGT-ONEGZZNKSA-N	-1	1	335.272	1.277	40	5		EDBBMM
COc1cc(OC)c(OC)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000409351304	447683139	/nfs/dbraw/zinc/68/31/39/447683139.db2.gz	TXLYBZMPMNHNDJ-PLNGDYQASA-N	-1	1	349.299	1.992	40	5		EDBBMM
O=c1[nH]c(/C=C\c2cc3ccccc3oc2=O)nc([O-])c1[N+](=O)[O-]	ZINC000009010309	441102625	/nfs/dbraw/zinc/10/26/25/441102625.db2.gz	FCOBAGAIBDNXLX-WAYWQWQTSA-N	-1	1	327.252	1.661	40	5		EDBBMM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(OC)c1OC	ZINC000409342716	447683522	/nfs/dbraw/zinc/68/35/22/447683522.db2.gz	DWSYMJRLJIZDKN-PLNGDYQASA-N	-1	1	349.299	1.992	40	5		EDBBMM
Nc1cc(=O)[n-]c(SCc2nnc(-c3ccccc3[N+](=O)[O-])o2)n1	ZINC000009059284	211035791	/nfs/dbraw/zinc/03/57/91/211035791.db2.gz	JABMFYUGJVASNF-UHFFFAOYSA-N	-1	1	346.328	1.603	40	5		EDBBMM
CC(=O)Nc1nc(C)c(CCCOc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1	ZINC000013597732	441162048	/nfs/dbraw/zinc/16/20/48/441162048.db2.gz	DLWUGTIWCAHGEV-UHFFFAOYSA-N	-1	1	346.343	1.957	40	5		EDBBMM
O=C1NC(=O)/C(=C\c2cc([N+](=O)[O-])cc(Br)c2[O-])N1	ZINC000408722375	447679404	/nfs/dbraw/zinc/67/94/04/447679404.db2.gz	STLREQLLTDZZQM-FARCUNLSSA-N	-1	1	328.078	1.243	40	5		EDBBMM
Cc1nnc(SCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[nH]1	ZINC000018191130	441249510	/nfs/dbraw/zinc/24/95/10/441249510.db2.gz	WHFFNBOXFIIYGN-UHFFFAOYSA-N	-1	1	337.317	1.450	40	5		EDBBMM
Cc1n[nH]c(SCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1	ZINC000018191130	441249514	/nfs/dbraw/zinc/24/95/14/441249514.db2.gz	WHFFNBOXFIIYGN-UHFFFAOYSA-N	-1	1	337.317	1.450	40	5		EDBBMM
COc1ccc([N+](=O)[O-])cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000409345154	447683794	/nfs/dbraw/zinc/68/37/94/447683794.db2.gz	KMXZRRFHPIOITJ-DJWKRKHSSA-N	-1	1	334.244	1.883	40	5		EDBBMM
NC(=O)c1ccc(Sc2n[n-]c(C(F)(F)F)n2)c([N+](=O)[O-])c1	ZINC000078406773	217049111	/nfs/dbraw/zinc/04/91/11/217049111.db2.gz	YMWLFNOODAWWOI-UHFFFAOYSA-N	-1	1	333.251	1.982	40	5		EDBBMM
CCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1OC	ZINC000015009306	441193270	/nfs/dbraw/zinc/19/32/70/441193270.db2.gz	ZFXLSMXWYSTYJT-FNORWQNLSA-N	-1	1	333.300	1.961	40	5		EDBBMM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OC(C)=O	ZINC000035253080	441602882	/nfs/dbraw/zinc/60/28/82/441602882.db2.gz	KLMJJTTWEIFKMH-GQCTYLIASA-N	-1	1	347.283	1.488	40	5		EDBBMM
NC(=O)c1cc([N+](=O)[O-])ccc1Sc1n[n-]c(C(F)(F)F)n1	ZINC000078406795	217049273	/nfs/dbraw/zinc/04/92/73/217049273.db2.gz	CKQTUDZIBXWULH-UHFFFAOYSA-N	-1	1	333.251	1.982	40	5		EDBBMM
COC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1	ZINC000409328670	447683569	/nfs/dbraw/zinc/68/35/69/447683569.db2.gz	ZRXJWMVSMQYLAV-QPJJXVBHSA-N	-1	1	347.283	1.518	40	5		EDBBMM
O=c1[nH]c(C=Cc2cc3c(cc2[N+](=O)[O-])OCO3)nc([O-])c1[N+](=O)[O-]	ZINC000409358059	447683650	/nfs/dbraw/zinc/68/36/50/447683650.db2.gz	KBELVIANDRUDPI-OWOJBTEDSA-N	-1	1	348.227	1.603	40	5		EDBBMM
COC(=O)COc1cccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c1	ZINC000408604015	250306266	/nfs/dbraw/zinc/30/62/66/250306266.db2.gz	IBYZZSPIUOQXCQ-AATRIKPKSA-N	-1	1	347.283	1.518	40	5		EDBBMM
CCOc1c(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cccc1OC	ZINC000009234975	201771551	/nfs/dbraw/zinc/77/15/51/201771551.db2.gz	HAMRVPODIZAIQD-BQYQJAHWSA-N	-1	1	333.300	1.961	40	5		EDBBMM
O=[N+]([O-])c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)[n-]1	ZINC000001084524	440838961	/nfs/dbraw/zinc/83/89/61/440838961.db2.gz	HTVOHZOMTWQRCW-UHFFFAOYSA-N	-1	1	337.144	1.994	40	5		EDBBMM
O=[N+]([O-])c1n[n-]c(S(=O)(=O)Cc2ccc(Cl)cc2Cl)n1	ZINC000001084524	440838965	/nfs/dbraw/zinc/83/89/65/440838965.db2.gz	HTVOHZOMTWQRCW-UHFFFAOYSA-N	-1	1	337.144	1.994	40	5		EDBBMM