smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000000245623	172350738	/nfs/dbraw/zinc/35/07/38/172350738.db2.gz	YLWAFVBXTFWGLP-ONEGZZNKSA-N	-1	0	226.192	-0.496	50	5		BBBARM
Cn1c(=O)nc2[n-]cc([N+](=O)[O-])cc-2c1=O	ZINC000000339428	344701579	/nfs/dbraw/zinc/70/15/79/344701579.db2.gz	WXUHPWAFUHYRPW-UHFFFAOYSA-N	-1	0	222.160	-0.058	50	5		BBBARM
Cn1ncc([N+](=O)[O-])c1C(=O)NCC(=O)[O-]	ZINC000000972897	385705126	/nfs/dbraw/zinc/70/51/26/385705126.db2.gz	JSOKMPWQXSUALQ-UHFFFAOYSA-N	-1	0	228.164	-0.857	50	5		BBBARM
Cn1cc([N+](=O)[O-])c(C(=O)NCC(=O)[O-])n1	ZINC000000973286	180675398	/nfs/dbraw/zinc/67/53/98/180675398.db2.gz	FCOSHJHKFPCUGM-UHFFFAOYSA-N	-1	0	228.164	-0.857	50	5		BBBARM
O=C([O-])c1nc2ncc([N+](=O)[O-])cn2n1	ZINC000000973508	187299601	/nfs/dbraw/zinc/29/96/01/187299601.db2.gz	XRDVVRBMLDUXMD-UHFFFAOYSA-N	-1	0	209.121	-0.269	50	5		BBBARM
O=c1c([N+](=O)[O-])cc([N+](=O)[O-])cn1[O-]	ZINC000001769625	182985802	/nfs/dbraw/zinc/98/58/02/182985802.db2.gz	NJDKEOJCPSUVCO-UHFFFAOYSA-N	-1	0	201.094	-0.098	50	5		BBBARM
O=[N+]([O-])c1cnn(CCc2nn[nH]n2)c1	ZINC000002537038	371572959	/nfs/dbraw/zinc/57/29/59/371572959.db2.gz	DGBDNYFQRIJAJQ-UHFFFAOYSA-N	-1	0	209.169	-0.453	50	5		BBBARM
NC(=O)c1cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC000003844756	181292037	/nfs/dbraw/zinc/29/20/37/181292037.db2.gz	RUSLLAUTIQCSNV-UHFFFAOYSA-N	-1	0	246.200	-0.060	50	5		BBBARM
O=C([O-])Cn1cnc([N+](=O)[O-])c1[N+](=O)[O-]	ZINC000003909525	388388111	/nfs/dbraw/zinc/38/81/11/388388111.db2.gz	JAFCWYHZBGGMBK-UHFFFAOYSA-N	-1	0	216.109	-0.216	50	5		BBBARM
O=C([O-])Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-]	ZINC000003909527	388388548	/nfs/dbraw/zinc/38/85/48/388388548.db2.gz	CPLLKYYCHRCUEM-UHFFFAOYSA-N	-1	0	216.109	-0.216	50	5		BBBARM
Nc1nc[n-]c(=NN2CCOCC2)c1[N+](=O)[O-]	ZINC000003912540	385940215	/nfs/dbraw/zinc/94/02/15/385940215.db2.gz	IDXDSODJAHYIBT-UHFFFAOYSA-N	-1	0	240.223	-0.374	50	5		BBBARM
Cn1cnc([N+](=O)[O-])c1NCC(=O)[O-]	ZINC000004074264	352661912	/nfs/dbraw/zinc/66/19/12/352661912.db2.gz	IRCMCCGSNGDMPR-UHFFFAOYSA-N	-1	0	200.154	-0.175	50	5		BBBARM
CC(=O)CN(C)c1nc(N)[n-]c(=O)c1[N+](=O)[O-]	ZINC000004085844	386753956	/nfs/dbraw/zinc/75/39/56/386753956.db2.gz	PJGDEDUDGXWLPM-UHFFFAOYSA-N	-1	0	241.207	-0.715	50	5		BBBARM
CNc1nc(N(C)C)[n-]c(=O)c1[N+](=O)[O-]	ZINC000004085845	386755096	/nfs/dbraw/zinc/75/50/96/386755096.db2.gz	BJMDOQQABXMFRE-UHFFFAOYSA-N	-1	0	213.197	-0.214	50	5		BBBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])[n+]([O-])c1	ZINC000004086423	386754395	/nfs/dbraw/zinc/75/43/95/386754395.db2.gz	VAUCKYMJJFWMFQ-UHFFFAOYSA-N	-1	0	201.094	-0.158	50	5		BBBARM
O=C([O-])CNC(=O)c1[nH]ncc1[N+](=O)[O-]	ZINC000004126608	386517507	/nfs/dbraw/zinc/51/75/07/386517507.db2.gz	AECAAXYDLMQZMB-UHFFFAOYSA-N	-1	0	214.137	-0.868	50	5		BBBARM
Nc1[n-]n2c(nc(O)c(N)c2=O)c1[N+](=O)[O-]	ZINC000004171631	398328601	/nfs/dbraw/zinc/32/86/01/398328601.db2.gz	HOFRPGWDDQZTEB-UHFFFAOYSA-N	-1	0	226.152	-0.787	50	5		BBBARM
NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000004174041	353282032	/nfs/dbraw/zinc/28/20/32/353282032.db2.gz	SXSOYEBKXCZKDH-UHFFFAOYSA-N	-1	0	218.190	-0.052	50	5		BBBARM
Cc1[nH]nc(S(=O)(=O)CC(=O)[O-])c1[N+](=O)[O-]	ZINC000004243865	386107351	/nfs/dbraw/zinc/10/73/51/386107351.db2.gz	KCMHDTRAOLODSK-UHFFFAOYSA-N	-1	0	249.204	-0.515	50	5		BBBARM
Cc1[nH]nc([S@@](=O)CC(=O)[O-])c1[N+](=O)[O-]	ZINC000004243866	179839118	/nfs/dbraw/zinc/83/91/18/179839118.db2.gz	IZZBZKPDICQHEE-OAHLLOKOSA-N	-1	0	233.205	-0.181	50	5		BBBARM
Cc1[nH]nc([S@](=O)CC(=O)[O-])c1[N+](=O)[O-]	ZINC000004243868	386107423	/nfs/dbraw/zinc/10/74/23/386107423.db2.gz	IZZBZKPDICQHEE-HNNXBMFYSA-N	-1	0	233.205	-0.181	50	5		BBBARM
Cn1nc([N+](=O)[O-])c([N+](=O)[O-])c1C(=O)[O-]	ZINC000004294554	384055288	/nfs/dbraw/zinc/05/52/88/384055288.db2.gz	RCTJRSZLWUQNQS-UHFFFAOYSA-N	-1	0	216.109	-0.065	50	5		BBBARM
O=C([O-])c1ccn(Cn2cnc([N+](=O)[O-])n2)n1	ZINC000004294570	182585252	/nfs/dbraw/zinc/58/52/52/182585252.db2.gz	QENUOBGKWZSZQI-UHFFFAOYSA-N	-1	0	238.163	-0.413	50	5		BBBARM
COc1nn(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000004651904	384031535	/nfs/dbraw/zinc/03/15/35/384031535.db2.gz	IONANUGPWMAFGE-UHFFFAOYSA-N	-1	0	201.138	-0.116	50	5		BBBARM
Cc1cc(=O)n2[n-]c(N)c([N+](=O)[O-])c2n1	ZINC000004653710	343933876	/nfs/dbraw/zinc/93/38/76/343933876.db2.gz	OPEYDUWYJJNDQN-UHFFFAOYSA-N	-1	0	209.165	-0.179	50	5		BBBARM
CCn1c(N)c([N+](=O)[O-])c(=O)[n-]c1=O	ZINC000004797405	172146250	/nfs/dbraw/zinc/14/62/50/172146250.db2.gz	QDHPVYJXCHOBBC-UHFFFAOYSA-N	-1	0	200.154	-0.953	50	5		BBBARM
COC(=O)c1n[n-]c(C(=O)OC)c1[N+](=O)[O-]	ZINC000004837508	344475184	/nfs/dbraw/zinc/47/51/84/344475184.db2.gz	RRANRLASTUBGSJ-UHFFFAOYSA-N	-1	0	229.148	-0.109	50	5		BBBARM
Cn1cc([N+](=O)[O-])cc1C(=O)NCC(=O)[O-]	ZINC000008075024	372302151	/nfs/dbraw/zinc/30/21/51/372302151.db2.gz	QDACBBDMVZBXBY-UHFFFAOYSA-N	-1	0	227.176	-0.252	50	5		BBBARM
O=C([O-])c1[nH]nc([N+](=O)[O-])c1[N+](=O)[O-]	ZINC000008295268	388403519	/nfs/dbraw/zinc/40/35/19/388403519.db2.gz	WHCXFJISYFMZSN-UHFFFAOYSA-N	-1	0	202.082	-0.076	50	5		BBBARM
O=[N+]([O-])c1nonc1[N-]Cn1cnnn1	ZINC000008854812	372924524	/nfs/dbraw/zinc/92/45/24/372924524.db2.gz	XFOCLMXQOYGXFH-UHFFFAOYSA-N	-1	0	212.129	-0.966	50	5		BBBARM
O=c1nc([O-])[n-]c(-[n+]2ccccc2)c1[N+](=O)[O-]	ZINC000009426221	182972540	/nfs/dbraw/zinc/97/25/40/182972540.db2.gz	PEWSVMOEDDNBSY-UHFFFAOYSA-O	-1	0	235.179	-0.340	50	5		BBBARM
Cc1ccc[n+](-c2[n-]c([O-])nc(=O)c2[N+](=O)[O-])c1	ZINC000010490832	374314343	/nfs/dbraw/zinc/31/43/43/374314343.db2.gz	NAEMSLGKIOLKRI-UHFFFAOYSA-O	-1	0	249.206	-0.031	50	5		BBBARM
Cc1cc[n+](-c2[n-]c([O-])nc(=O)c2[N+](=O)[O-])cc1	ZINC000010490838	178309006	/nfs/dbraw/zinc/30/90/06/178309006.db2.gz	RAEDGXBJMNROQQ-UHFFFAOYSA-O	-1	0	249.206	-0.031	50	5		BBBARM
O=C([O-])CCn1nc([N+](=O)[O-])nc1[N+](=O)[O-]	ZINC000012362066	385981663	/nfs/dbraw/zinc/98/16/63/385981663.db2.gz	MXMMSGADSOOUNJ-UHFFFAOYSA-N	-1	0	231.124	-0.431	50	5		BBBARM
Nc1ncc(S(=O)(=O)[O-])cc1[N+](=O)[O-]	ZINC000014982124	350228800	/nfs/dbraw/zinc/22/88/00/350228800.db2.gz	QUVFMPNHCPUDJB-UHFFFAOYSA-N	-1	0	219.178	-0.181	50	5		BBBARM
O=C([O-])c1n[nH]c(-n2cnnc2)c1[N+](=O)[O-]	ZINC000019737394	371186494	/nfs/dbraw/zinc/18/64/94/371186494.db2.gz	WUFBCZSMUMGWPE-UHFFFAOYSA-N	-1	0	224.136	-0.403	50	5		BBBARM
O=C([O-])Cn1cc([N+](=O)[O-])c([N+](=O)[O-])n1	ZINC000020428725	182497841	/nfs/dbraw/zinc/49/78/41/182497841.db2.gz	JMTHPRKMIBSSGC-UHFFFAOYSA-N	-1	0	216.109	-0.216	50	5		BBBARM
O=C([O-])CNC(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000022157964	388825795	/nfs/dbraw/zinc/82/57/95/388825795.db2.gz	VOHXIPWOQYGYDO-UHFFFAOYSA-N	-1	0	213.149	-0.263	50	5		BBBARM
CN(C)C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000033533911	172352452	/nfs/dbraw/zinc/35/24/52/172352452.db2.gz	YLWAFVBXTFWGLP-ARJAWSKDSA-N	-1	0	226.192	-0.084	50	5		BBBARM
O=C([O-])Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1	ZINC000039259549	346930697	/nfs/dbraw/zinc/93/06/97/346930697.db2.gz	KXOXSQDPRFSFAT-UHFFFAOYSA-N	-1	0	243.131	-0.251	50	5		BBBARM
Cc1nnc(-n2cc([N+](=O)[O-])cn2)[n-]c1=O	ZINC000040216557	180396190	/nfs/dbraw/zinc/39/61/90/180396190.db2.gz	KULXDSSFLZVKAL-UHFFFAOYSA-N	-1	0	222.164	-0.020	50	5		BBBARM
C[C@@H](CC(=O)[O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000059112638	398328262	/nfs/dbraw/zinc/32/82/62/398328262.db2.gz	VEFNGFSLJMROBJ-VKHMYHEASA-N	-1	0	237.124	-0.419	50	5		BBBARM
C[C@H](CC(=O)[O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000059112640	398328281	/nfs/dbraw/zinc/32/82/81/398328281.db2.gz	VEFNGFSLJMROBJ-GSVOUGTGSA-N	-1	0	237.124	-0.419	50	5		BBBARM
Nc1nc(=NN2CCOCC2)[n-]cc1[N+](=O)[O-]	ZINC000071286518	388276676	/nfs/dbraw/zinc/27/66/76/388276676.db2.gz	IJYQLAHDJWBDSS-UHFFFAOYSA-N	-1	0	240.223	-0.374	50	5		BBBARM
O=C([O-])CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000095831584	388788067	/nfs/dbraw/zinc/78/80/67/388788067.db2.gz	ALYGFHXDFBTXMD-UHFFFAOYSA-N	-1	0	223.097	-0.665	50	5		BBBARM
NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000097756682	384276524	/nfs/dbraw/zinc/27/65/24/384276524.db2.gz	DGRCSZFTPTUQGS-UHFFFAOYSA-N	-1	0	246.200	-0.060	50	5		BBBARM
Cc1nn2c([n-]1)nc(C)c([N+](=O)[O-])c2=O	ZINC000100020034	180059207	/nfs/dbraw/zinc/05/92/07/180059207.db2.gz	WZUFKYFTNHWNCX-UHFFFAOYSA-N	-1	0	209.165	-0.057	50	5		BBBARM
CSc1nn2c([n-]1)nnc([N+](=O)[O-])c2=O	ZINC000100546686	385183053	/nfs/dbraw/zinc/18/30/53/385183053.db2.gz	IDVQGNMSSHPZSJ-UHFFFAOYSA-N	-1	0	228.193	-0.557	50	5		BBBARM
NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000145479360	384109525	/nfs/dbraw/zinc/10/95/25/384109525.db2.gz	CVNYDIJDUSXBSC-UHFFFAOYSA-N	-1	0	246.200	-0.060	50	5		BBBARM
NS(=O)(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000200421474	384864141	/nfs/dbraw/zinc/86/41/41/384864141.db2.gz	JLUCGKKSEGPWMK-UHFFFAOYSA-N	-1	0	218.190	-0.052	50	5		BBBARM