smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC[N+](CC)(CC)CCN(c1ccccc1)C1CCCCC1	2033153	HCPLETGSVYHICS-UHFFFAOYSA-N	303.514	4.702	5	30	DJBC	
CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cn2)c(Cl)c1	93027	TWLYTSXLARHTNJ-UHFFFAOYSA-N	306.749	4.733	5	30	DJBC	
Cc1cc(Sc2ncccc2[N+](=O)[O-])c(Cl)cc1Cl	91594	IWINETDGKQCOOF-UHFFFAOYSA-N	315.181	4.756	5	30	DJBC	
O=[N+]([O-])C1=Cc2c(ccc3ccccc23)O[C@@H]1c1ccc(F)cc1	103609	HNSMNIIEUGPLCV-LJQANCHMSA-N	321.307	4.730	5	30	DJBC	
CCCCCCc1c(O)c2cccc3c4ccccc4n(c1=O)c23	5951303	UYNIAVHLYAUTNI-UHFFFAOYSA-N	319.404	4.872	5	30	DJBC	
CC[N+](CC)(CC)CC[C@](O)(c1ccccc1)C1CCCCC1	967933	NPRHVSBSZMAEIN-NRFANRHFSA-N	318.525	4.721	5	30	DJBC	world
Cc1cc(Sc2ccc([N+](=O)[O-])cn2)c(Cl)cc1Cl	91599	IWDIMNJGSKCLRN-UHFFFAOYSA-N	315.181	4.756	5	30	DJBC	
Cc1ccc(CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1	97587	IQGWDLGNLVTOHR-UHFFFAOYSA-N	316.407	4.805	5	30	DJBC	
O=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@H]1c1ccc(Cl)cc1	103563	KNEPJGVCBNCPAY-HNNXBMFYSA-N	322.147	4.745	5	30	DJBC	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1SCc1cccs1	126311	BKMBYAIILUZQCL-UHFFFAOYSA-N	319.329	4.967	5	30	DJBC	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1cccs1	96564	ZLMRATXJZACFLY-UHFFFAOYSA-N	305.302	4.826	5	30	DJBC	
O=[N+]([O-])c1ccc2cc(Br)c3ccccc3c2c1	129320	KLVAWGSSGMJLAD-UHFFFAOYSA-N	302.127	4.664	5	30	DJBC	
COc1ccc2c(Oc3ccc([N+](=O)[O-])cc3)csc2c1	1774020976	FADSWUCCKYDJHC-UHFFFAOYSA-N	301.323	4.610	5	30	DJBC	
O[C@H]1c2ccccc2-c2cc3ccc4ccccc4c3cc2[C@@H]1O	2038472	RDJMBJBJQWPDEA-VXKWHMMOSA-N	312.368	4.740	5	30	DJBC	
O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1c1ccc(Cl)cc1Cl	100960	LELZIUWMWZLACW-OAHLLOKOSA-N	322.147	4.745	5	30	DJBC	
O=[N+]([O-])C1=Cc2ccccc2O[C@H]1c1ccc(Cl)cc1Cl	100962	LELZIUWMWZLACW-HNNXBMFYSA-N	322.147	4.745	5	30	DJBC	
O=[N+]([O-])c1ccc(SCc2cccc(C(F)(F)F)c2)cc1	99609	KINFPSJVFNUMJF-UHFFFAOYSA-N	313.300	4.906	5	30	DJBC	
CC(C)(C)c1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1	143439	ZGUGKJFIXZWGLG-UHFFFAOYSA-N	323.352	4.609	5	30	DJBC	
O[C@@H]1c2ccccc2-c2cc3ccc4ccccc4c3cc2[C@H]1O	2039586	RDJMBJBJQWPDEA-FGZHOGPDSA-N	312.368	4.740	5	30	DJBC	
CCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12	24766	FVRATCCFMDVSFH-UHFFFAOYSA-N	319.408	4.927	5	30	DJBC	
CC(C)c1ccc([C@H](C[N+](=O)[O-])Sc2ccccc2N)cc1	104230	NBCQCAVQRWNZQJ-KRWDZBQOSA-N	316.426	4.502	5	30	DJBC	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1F	90562	ZUQQMJXATBTYCY-UHFFFAOYSA-N	319.185	4.684	5	30	DJBC	
O[C@H]1c2ccccc2-c2cc3ccc4ccccc4c3cc2[C@H]1O	2038473	RDJMBJBJQWPDEA-FCHUYYIVSA-N	312.368	4.740	5	30	DJBC	
CN(C)/C=C/C=C/C=C1\c2ccccc2-c2ccc([N+](=O)[O-])cc21	63591210	BJHYBWMLBMHUNG-PAHYICCGSA-N	318.376	4.638	5	30	DJBC	
O=[N+]([O-])C1=Cc2c(ccc3ccccc23)O[C@H]1c1ccccc1	69018	KPNPVSPJQCZCMX-IBGZPJMESA-N	303.317	4.591	5	30	DJBC	
O=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@@H]1c1ccc(Cl)cc1	103565	KNEPJGVCBNCPAY-OAHLLOKOSA-N	322.147	4.745	5	30	DJBC	
CC[N+](CC)(CC)CC[C@@](O)(c1ccccc1)C1CCCCC1	967932	NPRHVSBSZMAEIN-OAQYLSRUSA-N	318.525	4.721	5	30	DJBC	world
CC(C)c1ccc([C@@H](C[N+](=O)[O-])Sc2ccccc2N)cc1	104227	NBCQCAVQRWNZQJ-QGZVFWFLSA-N	316.426	4.502	5	30	DJBC	
O[C@H]1c2cc3c(ccc4ccccc43)cc2-c2ccccc2[C@H]1O	2039585	RDJMBJBJQWPDEA-YADHBBJMSA-N	312.368	4.740	5	30	DJBC	
O=[N+]([O-])C1=Cc2c(ccc3ccccc23)O[C@H]1c1ccc(F)cc1	103612	HNSMNIIEUGPLCV-IBGZPJMESA-N	321.307	4.730	5	30	DJBC	
O=[N+]([O-])c1ccc(Oc2ccc(C3SCCS3)cc2)cc1	91889	RPOSEMFSECFWJG-UHFFFAOYSA-N	319.407	4.866	5	30	DJBC	
Cc1cc(Sc2ccc([N+](=O)[O-])c(O)c2)c(C)cc1Cl	35571906	VQEJZVVCRUWZJK-UHFFFAOYSA-N	309.774	4.722	5	30	DJBC	
O=[N+]([O-])C1=Cc2c(ccc3ccccc23)O[C@@H]1c1ccccc1	69021	KPNPVSPJQCZCMX-LJQANCHMSA-N	303.317	4.591	5	30	DJBC	
O=[N+]([O-])c1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1	91913	PPJDYJKQSQKYDE-UHFFFAOYSA-N	321.332	4.966	5	30	DJBC	
CCCCOc1ccc(OCCCC)c([N+](=O)[O-])c1Cl	33605987	MJXACADUQMBDHU-UHFFFAOYSA-N	301.770	4.606	5	30	DJBC	
CC(=O)Oc1cccc2c1ccc1c(C)c3ccccc3nc12	5419480	OJGYGUBDNMUCFU-UHFFFAOYSA-N	301.345	4.775	5	30	DJBC	
CC(C)(C)c1ccc(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1	92291	ZLZKSHYLYILBDC-UHFFFAOYSA-N	323.352	4.609	5	30	DJBC	
O=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@@H]1c1ccccc1Cl	103545	YETPTGYLRWYHIO-OAHLLOKOSA-N	322.147	4.745	5	30	DJBC	
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1ccc(Cl)cc1	2161253	NWEROQLSXHQALX-UHFFFAOYSA-N	324.745	4.616	5	30	DJBC	
CC(C)(C)c1ccc(Oc2ncccc2[N+](=O)[O-])c(Cl)c1	93035	DSZGOCSVDJSDQB-UHFFFAOYSA-N	306.749	4.733	5	30	DJBC	
O=[N+]([O-])c1ccc(CSc2ccc(F)cc2F)c(Cl)c1	120233	ICQDWWVINZWQNY-UHFFFAOYSA-N	315.728	4.819	5	30	DJBC	
O=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@H]1c1ccccc1Cl	103543	YETPTGYLRWYHIO-HNNXBMFYSA-N	322.147	4.745	5	30	DJBC