smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C1=O	ZINC000008994575	282651224	/nfs/dbraw/zinc/65/12/24/282651224.db2.gz	GVXPGEVVMIGYEA-WBMJQRKESA-N	-1	1	344.327	0.814	50	5		ECBAMM
O=C(NCCc1nnc2ccccn21)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000011547313	436044304	/nfs/dbraw/zinc/04/43/04/436044304.db2.gz	FBBQVOULKZKVEM-UHFFFAOYSA-N	-1	1	328.288	0.298	50	5		ECBAMM
CCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)[N-]C(=O)NC2=O)[C@H]1C	ZINC000017245819	436101221	/nfs/dbraw/zinc/10/12/21/436101221.db2.gz	DSHGGQMZCCORKD-MRVPVSSYSA-N	-1	1	332.316	0.718	50	5		ECBAMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2ccccn2)CC1	ZINC000016494665	436092874	/nfs/dbraw/zinc/09/28/74/436092874.db2.gz	YJEWWVBLHUVURR-UHFFFAOYSA-N	-1	1	329.316	0.641	50	5		ECBAMM
O=C1[N-]C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1	ZINC000018140911	284859934	/nfs/dbraw/zinc/85/99/34/284859934.db2.gz	RSTOVVNINQUSFV-LLVKDONJSA-N	-1	1	330.300	0.472	50	5		ECBAMM
Cc1c(CCO)c(=O)[n-]n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001393680	435957507	/nfs/dbraw/zinc/95/75/07/435957507.db2.gz	PQSPKSOYFWUNRV-UHFFFAOYSA-N	-1	1	327.318	0.165	50	5		ECBAMM
O=C([O-])[C@H](Cc1cnc[nH]1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000004136633	210129673	/nfs/dbraw/zinc/12/96/73/210129673.db2.gz	SFHVSASNRLSIDT-JTQLQIEISA-N	-1	1	330.256	0.610	50	5		ECBAMM
Cn1ncnc1CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000874433724	590239865	/nfs/dbraw/zinc/23/98/65/590239865.db2.gz	PTVBENPGDZYJKM-UHFFFAOYSA-N	-1	1	343.340	0.774	50	5		ECBAMM
CCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)[N-]C(=O)NC2=O)[C@@H]1C	ZINC000018183458	276414383	/nfs/dbraw/zinc/41/43/83/276414383.db2.gz	DSHGGQMZCCORKD-QMMMGPOBSA-N	-1	1	332.316	0.718	50	5		ECBAMM
COc1cc[n-]c(=NNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000031721310	436232575	/nfs/dbraw/zinc/23/25/75/436232575.db2.gz	OXABCKPFKGKAFQ-UHFFFAOYSA-N	-1	1	325.306	0.699	50	5		ECBAMM
CCCNC(=O)NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000097019241	436536007	/nfs/dbraw/zinc/53/60/07/436536007.db2.gz	CQGULHAKAIYPEU-UHFFFAOYSA-N	-1	1	325.277	0.693	50	5		ECBAMM
Cn1c(=O)[nH]c([O-])c(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1=O	ZINC000101763703	219162381	/nfs/dbraw/zinc/16/23/81/219162381.db2.gz	LOVJEIKAVGKVNL-SECBINFHSA-N	-1	1	331.288	0.126	50	5		ECBAMM
CNC(=O)[C@]1(C(=O)[O-])Cc2cc([N+](=O)[O-])ccc2N2CCN(C)C[C@H]21	ZINC000229809560	242201644	/nfs/dbraw/zinc/20/16/44/242201644.db2.gz	LLYRGLCZNALYTR-BBRMVZONSA-N	-1	1	348.359	0.088	50	5		ECBAMM
O=C(NCc1cccnc1-n1cccn1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000031227918	436227241	/nfs/dbraw/zinc/22/72/41/436227241.db2.gz	ZZHMTFBPLSCDOJ-UHFFFAOYSA-N	-1	1	340.299	0.794	50	5		ECBAMM
Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)[nH]n2)ccc1[N+](=O)[O-]	ZINC000089591393	436413216	/nfs/dbraw/zinc/41/32/16/436413216.db2.gz	HHDLPPILUNQPFE-UHFFFAOYSA-N	-1	1	325.306	0.526	50	5		ECBAMM
Cc1c(CCO)c(=O)[n-]n1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000001402176	435958910	/nfs/dbraw/zinc/95/89/10/435958910.db2.gz	RDAUQKXHXWTLKA-UHFFFAOYSA-N	-1	1	327.318	0.165	50	5		ECBAMM
NS(=O)(=O)c1ccc(O)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1	ZINC000012620605	436055154	/nfs/dbraw/zinc/05/51/54/436055154.db2.gz	MBTQOIIKKSIKEJ-UHFFFAOYSA-N	-1	1	327.274	0.793	50	5		ECBAMM
O=C(NC[C@@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000028813028	436195728	/nfs/dbraw/zinc/19/57/28/436195728.db2.gz	PVIXUZMIBQYSTB-SNVBAGLBSA-N	-1	1	331.284	0.853	50	5		ECBAMM
CNC(=O)[C@]1(C(=O)[O-])Cc2cc([N+](=O)[O-])ccc2N2CCN(C)C[C@@H]21	ZINC000005389394	435989229	/nfs/dbraw/zinc/98/92/29/435989229.db2.gz	LLYRGLCZNALYTR-CJNGLKHVSA-N	-1	1	348.359	0.088	50	5		ECBAMM
O=C([O-])CC[C@@H](C(=O)[O-])[N@@H+]1C[C@@]2([N+](=O)[O-])C=CC[C@@]([N+](=O)[O-])(C1)C2	ZINC000068758648	304057499	/nfs/dbraw/zinc/05/74/99/304057499.db2.gz	DVTHICUIVJVDAH-BIMULSAOSA-N	-1	1	343.292	0.001	50	5		ECBAMM
CNC(=O)[C@@]1(C(=O)[O-])Cc2cc([N+](=O)[O-])ccc2N2CCN(C)C[C@@H]21	ZINC000005389395	435989154	/nfs/dbraw/zinc/98/91/54/435989154.db2.gz	LLYRGLCZNALYTR-CZUORRHYSA-N	-1	1	348.359	0.088	50	5		ECBAMM
CNC(=O)[C@@]1(C(=O)[O-])Cc2cc([N+](=O)[O-])ccc2N2CCN(C)C[C@H]21	ZINC000229809567	242199964	/nfs/dbraw/zinc/19/99/64/242199964.db2.gz	LLYRGLCZNALYTR-XJKSGUPXSA-N	-1	1	348.359	0.088	50	5		ECBAMM
Cn1c(=O)[nH]c([O-])c(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1=O	ZINC000101763700	219162371	/nfs/dbraw/zinc/16/23/71/219162371.db2.gz	LOVJEIKAVGKVNL-VIFPVBQESA-N	-1	1	331.288	0.126	50	5		ECBAMM
O=C1[N-]C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1	ZINC000018068616	135712732	/nfs/dbraw/zinc/71/27/32/135712732.db2.gz	HOYAUWJKRNIHDR-GFCCVEGCSA-N	-1	1	344.327	0.862	50	5		ECBAMM
O=C1[N-]C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1	ZINC000009476949	296356945	/nfs/dbraw/zinc/35/69/45/296356945.db2.gz	RSTOVVNINQUSFV-NSHDSACASA-N	-1	1	330.300	0.472	50	5		ECBAMM
O=C([O-])CC[C@H](C(=O)[O-])[N@@H+]1C[C@@]2([N+](=O)[O-])C=CC[C@@]([N+](=O)[O-])(C1)C2	ZINC000229705307	304060717	/nfs/dbraw/zinc/06/07/17/304060717.db2.gz	DVTHICUIVJVDAH-WQAKAFBOSA-N	-1	1	343.292	0.001	50	5		ECBAMM
CN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C1=O	ZINC000229900811	277016171	/nfs/dbraw/zinc/01/61/71/277016171.db2.gz	GVXPGEVVMIGYEA-BLLLJJGKSA-N	-1	1	344.327	0.814	50	5		ECBAMM
CN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C1=O	ZINC000008994576	436034056	/nfs/dbraw/zinc/03/40/56/436034056.db2.gz	GVXPGEVVMIGYEA-MLGOLLRUSA-N	-1	1	344.327	0.814	50	5		ECBAMM
Cn1c(=O)[nH]c([O-])c(C2=NN[C@H](c3cccc([N+](=O)[O-])c3)C2)c1=O	ZINC000101763766	219162427	/nfs/dbraw/zinc/16/24/27/219162427.db2.gz	QWXKXTYCMXKDFT-VIFPVBQESA-N	-1	1	331.288	0.126	50	5		ECBAMM
Cn1c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)cc2n(C)c1=O	ZINC000016361660	436088956	/nfs/dbraw/zinc/08/89/56/436088956.db2.gz	JANMKJRBGNAGCL-XQRVVYSFSA-N	-1	1	343.299	0.745	50	5		ECBAMM
O=C(NC[C@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000028813029	436195405	/nfs/dbraw/zinc/19/54/05/436195405.db2.gz	PVIXUZMIBQYSTB-JTQLQIEISA-N	-1	1	331.284	0.853	50	5		ECBAMM
O=C([O-])[C@@H](Cc1cnc[nH]1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000004136635	210128851	/nfs/dbraw/zinc/12/88/51/210128851.db2.gz	SFHVSASNRLSIDT-SNVBAGLBSA-N	-1	1	330.256	0.610	50	5		ECBAMM
Cn1c(=O)[nH]c([O-])c(C2=NN[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1=O	ZINC000101763771	219162649	/nfs/dbraw/zinc/16/26/49/219162649.db2.gz	QWXKXTYCMXKDFT-SECBINFHSA-N	-1	1	331.288	0.126	50	5		ECBAMM
Cn1c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)cc2n(C)c1=O	ZINC000009234911	211057065	/nfs/dbraw/zinc/05/70/65/211057065.db2.gz	JANMKJRBGNAGCL-GQCTYLIASA-N	-1	1	343.299	0.745	50	5		ECBAMM
O=C1[N-]C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N1	ZINC000018203951	436105262	/nfs/dbraw/zinc/10/52/62/436105262.db2.gz	HOYAUWJKRNIHDR-LBPRGKRZSA-N	-1	1	344.327	0.862	50	5		ECBAMM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C1=O	ZINC000229900801	436716184	/nfs/dbraw/zinc/71/61/84/436716184.db2.gz	GVXPGEVVMIGYEA-LRDDRELGSA-N	-1	1	344.327	0.814	50	5		ECBAMM