smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(c1ccc([N+](=O)[O-])cc1)C1CC1	2391889	YBEFJOYAXNGQKF-UHFFFAOYSA-N	191.186	2.188	5	30	AEBC	
CCc1c([N+](=O)[O-])cccc1[N+](=O)[O-]	5688530	SWASTJCUMFALOW-UHFFFAOYSA-N	196.162	2.065	5	30	AEBC	
O=[N+]([O-])c1cc(F)cc2c1OCCC2	140230134	MRPJATNDQWOMOH-UHFFFAOYSA-N	197.165	2.059	5	30	AEBC	
CC(C)CC(C)(C)[N+](=O)[O-]	140096816	JOTFJIBCIJGTAS-UHFFFAOYSA-N	145.202	2.088	5	30	AEBC	
COc1ccc([C@H](C)C[N+](=O)[O-])cc1	39090546	BEOYRBKGUBNXIT-MRVPVSSYSA-N	195.218	2.075	5	30	AEBC	
CC[N@@+]1(C)CCc2ccccc2C1	255984070	KTYUMBVKMXGUNR-ZDUSSCGKSA-N	176.283	2.209	5	30	AEBC	
CCc1cccc([N+](=O)[O-])c1[N+](=O)[O-]	33506165	WQXMSGBLGDVBJM-UHFFFAOYSA-N	196.162	2.065	5	30	AEBC	
Cc1ccc2[nH]cc([N+](=O)[O-])c2c1	307486785	BOGMNCUGSGGREO-UHFFFAOYSA-N	176.175	2.385	5	30	AEBC	
O=[N+]([O-])c1c(Cl)ccc2[nH]cnc12	95922817	AJZSERMRCGDUSY-UHFFFAOYSA-N	197.581	2.125	5	30	AEBC	
CCCCC[C@@H](C)[N+](=O)[O-]	5820840	PCEIWKGDADMFJS-SSDOTTSWSA-N	145.202	2.232	5	30	AEBC	
O=[N+]([O-])c1cc(O)cc(Cl)c1F	238730462	IEMSQRYDECBNOD-UHFFFAOYSA-N	191.545	2.093	5	30	AEBC	
Cc1ccc(Cl)c([N+](=O)[O-])c1C=O	307412075	HXHRDEMWCDBYDC-UHFFFAOYSA-N	199.593	2.369	5	30	AEBC	
Cc1cc([N+](=O)[O-])cc(C)c1[N+](=O)[O-]	148078502	SDNAHHNWZYDYHA-UHFFFAOYSA-N	196.162	2.120	5	30	AEBC	
CC[N@+]1(C)CCc2ccccc2C1	255984069	KTYUMBVKMXGUNR-CYBMUJFWSA-N	176.283	2.209	5	30	AEBC	
O=[N+]([O-])c1ccccc1[C@H]1CCCN1	19270644	NJZJYHRRZNJSCM-SECBINFHSA-N	192.218	2.019	5	30	AEBC	
Cc1ccc([N+](C)(C)[O-])cc1	13536807	NALMPLUMOWIVJC-UHFFFAOYSA-N	151.209	2.060	5	30	AEBC	
CCC[N+](CC)(CC)CC	2515978	WGYXSYLSCVXFDU-UHFFFAOYSA-N	144.282	2.273	5	30	AEBC	
CC[C@@H](O)c1cccc([N+](=O)[O-])c1	35598587	LSEJDXFJBNGGBI-SECBINFHSA-N	181.191	2.038	5	30	AEBC	in-vitro
O=[N+]([O-])c1cc(Cl)ncc1Cl	196637497	QVTSUHXJSAHBAB-UHFFFAOYSA-N	192.989	2.297	5	30	AEBC	
O=[N+]([O-])C(Cl)=C(Cl)Cl	38886080	BKOLIJBSENFKNE-UHFFFAOYSA-N	176.386	2.106	5	30	AEBC	
C[C@@H](c1cccc(F)c1)[N+](=O)[O-]	139995790	WXAUYRLTWHDJQN-LURJTMIESA-N	169.155	2.163	5	30	AEBC	
COc1cc(C)cc([N+](=O)[O-])c1C	14985765	MNWRGXSPBQNIGR-UHFFFAOYSA-N	181.191	2.220	5	30	AEBC	in-vitro
Cc1cc(N)c([N+](=O)[O-])cc1Cl	4760356	NDEDTNPAJWUVRB-UHFFFAOYSA-N	186.598	2.139	5	30	AEBC	
CCCCC[C@H](C)[N+](=O)[O-]	5820978	PCEIWKGDADMFJS-ZETCQYMHSA-N	145.202	2.232	5	30	AEBC	
CC(=O)c1c(Cl)cccc1[N+](=O)[O-]	87224147	DMKAVNKNXDGXHS-UHFFFAOYSA-N	199.593	2.451	5	30	AEBC	in-vitro
COc1ccsc1/C=C(\C)[N+](=O)[O-]	4709770	LGGXSZGGJQLGDJ-AATRIKPKSA-N	199.231	2.394	5	30	AEBC	
CCC(=O)c1ccc(C)c([N+](=O)[O-])c1	79424087	KNOXGRDXNIBXMD-UHFFFAOYSA-N	193.202	2.496	5	30	AEBC	
O=[N+]([O-])c1ncccc1C(F)(F)F	147506634	YVTKBICRIROREK-UHFFFAOYSA-N	192.096	2.009	5	30	AEBC	
C=C(O)c1ccc([N+](=O)[O-])cc1	100096821	PSRHMZYBUBSKKU-UHFFFAOYSA-N	165.148	2.124	5	30	AEBC	
C[C@H]1CNc2c1cccc2[N+](=O)[O-]	226652137	QPXNAZDPXBHUTP-LURJTMIESA-N	178.191	2.124	5	30	AEBC	
COc1cc([N+](=O)[O-])c2cc[nH]c2c1	14983759	RLVKBTVJWNDOSQ-UHFFFAOYSA-N	192.174	2.085	5	30	AEBC	in-vitro
O=[N+]([O-])c1ccc(F)c(CF)c1	144829466	PLHHBFNONWJIPX-UHFFFAOYSA-N	173.118	2.203	5	30	AEBC	
C=Cc1ccc([N+](=O)[O-])c(F)c1	36437975	OKNXGWILKMLMGV-UHFFFAOYSA-N	167.139	2.377	5	30	AEBC	
O=[N+]([O-])c1ccc(F)c(OC2CC2)c1	95735568	BNHSADXTYMEYFK-UHFFFAOYSA-N	197.165	2.275	5	30	AEBC	
CCc1cc([N+](=O)[O-])ccc1F	197841685	QMNYNWPOUAMKGG-UHFFFAOYSA-N	169.155	2.296	5	30	AEBC	
Nc1c([N+](=O)[O-])sc2ccccc12	6252758	QUKCPSYNLDHLNI-UHFFFAOYSA-N	194.215	2.392	5	30	AEBC	
CCC(=O)c1ccc(F)c([N+](=O)[O-])c1	74368726	LFWXJDOYODCISO-UHFFFAOYSA-N	197.165	2.327	5	30	AEBC	
CC(C)c1c(N)cccc1[N+](=O)[O-]	575629523	HBQVGGDUAHXKMS-UHFFFAOYSA-N	180.207	2.300	5	30	AEBC	
C=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	22002881	CRKUWNMRJQROHR-UHFFFAOYSA-N	194.146	2.146	5	30	AEBC	
Cc1cc(Cl)nc(C)c1[N+](=O)[O-]	72266098	MZJLDJKORNDTNV-UHFFFAOYSA-N	186.598	2.260	5	30	AEBC	
Cc1cc([N+](=O)[O-])cc2cc[nH]c12	34559251	BGLMRHYPBSQOTA-UHFFFAOYSA-N	176.175	2.385	5	30	AEBC	
O=[N+]([O-])c1c[nH]c(Cl)c1Cl	1482160	CDHAYBUDIPNGGJ-UHFFFAOYSA-N	180.978	2.230	5	30	AEBC	in-vitro
C=Cc1cc([N+](=O)[O-])ccc1F	98179660	SISIKMWLDURIDU-UHFFFAOYSA-N	167.139	2.377	5	30	AEBC	
O=c1[nH]cnc2c1ccc1ccccc12	38416572	BJVYARVTSUNBMW-UHFFFAOYSA-N	196.209	2.076	5	30	AEBC	
Cc1cccc2[nH]cc([N+](=O)[O-])c12	675068009	MDYMREAXZIRHPW-UHFFFAOYSA-N	176.175	2.385	5	30	AEBC	
O=[N+]([O-])c1ccc2nc(F)sc2c1	39262029	SIWVINOOVIDLFI-UHFFFAOYSA-N	198.178	2.344	5	30	AEBC	
O=[N+]([O-])c1ccc(-c2ccn[nH]2)s1	140396	GZHHOSZBNNQCKO-UHFFFAOYSA-N	195.203	2.046	5	30	AEBC	
Cc1cc(F)c(F)c(F)c1[N+](=O)[O-]	90367219	KUVHAROVDXTOGN-UHFFFAOYSA-N	191.108	2.321	5	30	AEBC	
O=[N+]([O-])c1c(F)ccc2cnccc12	59209288	ZWEFZZDPYSVNLL-UHFFFAOYSA-N	192.149	2.282	5	30	AEBC	in-vitro
O=c1[nH]c2ccncc2c2ccccc12	13523945	PHKKGRKUGQPYDX-UHFFFAOYSA-N	196.209	2.076	5	30	AEBC	
O=c1ccc2ccc3cccnc3c2[nH]1	35962454	FBKKYZMTAAQTJO-UHFFFAOYSA-N	196.209	2.076	5	30	AEBC	
Cc1cc([N+](=O)[O-])cc(F)c1F	95931480	MIVGBSMTNMEQNT-UHFFFAOYSA-N	173.118	2.181	5	30	AEBC	
COc1cc([N+](=O)[O-])c2[nH]ccc2c1	14986027	XNGPVHABLSIDPD-UHFFFAOYSA-N	192.174	2.085	5	30	AEBC	
C=COc1ccc([N+](=O)[O-])cc1	5157947	XTVUXNLJQRWUBD-UHFFFAOYSA-N	165.148	2.117	5	30	AEBC	in-vitro
C[C@@H]1CNc2c1cccc2[N+](=O)[O-]	226652132	QPXNAZDPXBHUTP-ZCFIWIBFSA-N	178.191	2.124	5	30	AEBC	
Cc1c([N+](=O)[O-])cnc(Cl)c1C	72266073	DPVSXUVKMQURNQ-UHFFFAOYSA-N	186.598	2.260	5	30	AEBC	
C[C@H](c1cccc(F)c1)[N+](=O)[O-]	139995935	WXAUYRLTWHDJQN-ZCFIWIBFSA-N	169.155	2.163	5	30	AEBC	
O=[N+]([O-])c1cccc2nc(Cl)oc12	83983737	ANACKXIBHDZFHR-UHFFFAOYSA-N	198.565	2.389	5	30	AEBC	
COc1cc([N+](=O)[O-])cc2[nH]ccc12	14983764	RJJWRLNBFXLPKI-UHFFFAOYSA-N	192.174	2.085	5	30	AEBC	in-vitro
Cc1cc(C(C)(C)O)ccc1[N+](=O)[O-]	307085455	MKGYGZSSLSVNJG-UHFFFAOYSA-N	195.218	2.131	5	30	AEBC	
O=[N+]([O-])c1c[nH]c2cc(Cl)ncc12	44713140	ALPPQTCXGMTAHU-UHFFFAOYSA-N	197.581	2.125	5	30	AEBC	in-vitro
Cc1cc([N+](=O)[O-])c2cc[nH]c2c1	14984632	SSWWEBNSAPAUEX-UHFFFAOYSA-N	176.175	2.385	5	30	AEBC	in-vitro
CC1(C)Cc2cccc([N+](=O)[O-])c2O1	5454971	ZQZNLPNVEXRNNG-UHFFFAOYSA-N	193.202	2.308	5	30	AEBC	
Cc1cc2cccc([N+](=O)[O-])c2cn1	98178862	QXAXQBBULTWSRI-UHFFFAOYSA-N	188.186	2.451	5	30	AEBC	
O=[N+]([O-])c1ccccc1[C@@H]1CCCN1	19270642	NJZJYHRRZNJSCM-VIFPVBQESA-N	192.218	2.019	5	30	AEBC	
CSc1cc([N+](=O)[O-])ccc1F	204844680	YOYLTQHFDADALN-UHFFFAOYSA-N	187.195	2.456	5	30	AEBC	
O=[N+]([O-])c1ccc(F)c2cnccc12	82767292	VRYKLIWGJJOFHU-UHFFFAOYSA-N	192.149	2.282	5	30	AEBC	
Cc1cc(F)c(S)cc1[N+](=O)[O-]	217575819	WESOJUWALWTGGQ-UHFFFAOYSA-N	187.195	2.331	5	30	AEBC