smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOC(=O)c1cnc(Sc2c(C)cc([N+](=O)[O-])cc2[N+](=O)[O-])nc1N	2161371	QOCLZXLTNPIXEM-UHFFFAOYSA-N	379.354	2.512	5	30	GFBC	
O=c1c2nnn(Cc3ccccc3Cl)c2ncn1Cc1ccc([N+](=O)[O-])cc1	1033726	YPGJXHCNTADQRB-UHFFFAOYSA-N	396.794	2.646	5	30	GFBC	
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(CC=Cc2ccccc2)CC1	2265241371	GKSIRIJOVFCKTL-UHFFFAOYSA-N	396.403	2.974	5	30	GFBC	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncccc2C(F)(F)F)CC1	20223959	DHPILMZSMZQXLX-UHFFFAOYSA-N	380.326	2.971	5	30	GFBC	
CCOC(=O)c1c(NC(=O)c2snnc2C)c2cc([N+](=O)[O-])ccc2n1C	8628250	REQVXZGLYCMRFV-UHFFFAOYSA-N	389.393	2.675	5	30	GFBC	
O=[N+]([O-])c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	100110824	VSGCEWSTFLCCNI-UHFFFAOYSA-N	394.212	2.971	5	30	GFBC	
O=C(Nc1nnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)N1CCOCC1	1048602	PHOXKRCOJXBLMU-UHFFFAOYSA-N	394.391	2.707	5	30	GFBC	
O=C1N(c2cccc([N+](=O)[O-])c2)C2=C(C=CCN2)C[N@+]1([O-])Cc1ccncc1	604934822	MYGBQLYKOIJQBG-XMMPIXPASA-N	379.376	2.816	5	30	GFBC	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c([N+](=O)[O-])c1	102414127	OZFMAAJZKNAXBR-UHFFFAOYSA-N	394.212	2.971	5	30	GFBC	
CO[C@H]1C[C@@H]2C[C@H](OC(=O)C(O)(c3ccccc3)c3ccccc3)C[C@H]1[N+]2(C)C	4217609	UOGRTPHUCQXAJU-KJJMTIBFSA-N	396.507	2.860	5	30	GFBC	in-man
NS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2ccc(C(F)(F)F)cn2)s1	4347620	GSCTZZXKJBXJOA-UHFFFAOYSA-N	385.370	2.869	5	30	GFBC	
O=c1[nH]nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc2c(c1)OCCO2	1324208	REBZFRWGHWAYBS-UHFFFAOYSA-N	386.389	2.532	5	30	GFBC	
O=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccc([N+](=O)[O-])cc1	2150099	MJAUFJFBKDJDFA-UHFFFAOYSA-N	393.403	2.864	5	30	GFBC	
O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCCN1CCN(c3ccccc3)CC1)CC2	35570398	YCHUTWOBJZBSGG-FQEVSTJZSA-N	380.492	2.864	5	30	GFBC	
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ncccc2C(F)(F)F)CC1	20223957	MAYUGYJWOPNPGO-UHFFFAOYSA-N	380.326	2.971	5	30	GFBC	
O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	20413297	FBKVSDUAHUXDQH-UHFFFAOYSA-N	380.326	2.971	5	30	GFBC	
COC(=O)c1cnc(Sc2nnc(O)n2C2CCCCC2)c([N+](=O)[O-])c1	12370014	BIKUGLOLFPVQEF-UHFFFAOYSA-N	379.398	2.730	5	30	GFBC	
O=C(Nc1ccccc1C(=O)NCCc1ccncc1)c1ccc([N+](=O)[O-])o1	1042568	AEKNUUBCWJIIBM-UHFFFAOYSA-N	380.360	2.808	5	30	GFBC	
O=C1CN(c2nc(-c3ccc([N+](=O)[O-])cc3Br)cs2)C(=O)N1	33875044	VNWYXQHZACIPIZ-UHFFFAOYSA-N	383.183	2.537	5	30	GFBC	
O=C1N(c2cccc([N+](=O)[O-])c2)C2=C(C=CCN2)C[N@@+]1([O-])Cc1ccncc1	604934821	MYGBQLYKOIJQBG-DEOSSOPVSA-N	379.376	2.816	5	30	GFBC	
O=[N+]([O-])c1ccc2c(c1)C[C@H](NCCN1CCN(c3ccccc3)CC1)CC2	35570396	YCHUTWOBJZBSGG-HXUWFJFHSA-N	380.492	2.864	5	30	GFBC	
O=[N+]([O-])c1ccc(N2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1	20405971	JBFWKZLNWLCBCR-UHFFFAOYSA-N	396.856	2.544	5	30	GFBC	
O=c1sn(-c2ccc([N+](=O)[O-])cc2Cl)c(=O)n1C1Cc2ccccc2C1	1029608	ASTMTCVUUGIQLX-UHFFFAOYSA-N	389.820	2.962	5	30	GFBC	
COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(F)cc(F)cc1F	1023891	DFYVUNHKGZMNFL-UHFFFAOYSA-N	399.281	2.991	5	30	GFBC	
COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(F)cccc1F	1023892	YDINEYRDZOEUDQ-UHFFFAOYSA-N	381.291	2.852	5	30	GFBC	
CN(C)S(=O)(=O)c1ccc(Sc2ccccc2NC=O)c([N+](=O)[O-])c1	5965105	KWISCMZQXDJACS-UHFFFAOYSA-N	381.435	2.565	5	30	GFBC	
CN(C)CCN1C(=O)c2ccc(NCCO)c3cc4ccccc4c(c23)C1=O	29391038	ACTOOOXFSTWXSV-UHFFFAOYSA-N	377.444	2.555	5	30	GFBC	
O=C(Nc1ccc2cc(O)cc(S(=O)(=O)O)c2c1)c1ccc([N+](=O)[O-])cc1	44710164	KPCWDWISHSLZCA-UHFFFAOYSA-N	388.357	2.953	5	30	GFBC	
O=C(Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1)c1cccc([N+](=O)[O-])c1	6092541	KHRQOWDLOIPDEV-UHFFFAOYSA-N	388.357	2.953	5	30	GFBC