smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(O[C@H]1C[N+]2([O-])CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1	44964142	PNHAPLMCCXMFAI-CUXOGPJSSA-N	378.472	3.878	5	30	GHBC	
O=[N+]([O-])c1cc(Br)cnc1Sc1nc(-c2cccs2)n[nH]1	4366127	RKONCXFUWDWHBQ-UHFFFAOYSA-N	384.240	3.750	5	30	GHBC	
NS(=O)(=O)c1ccc(Sc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	4300110	NMAMRMHZMGOQKF-UHFFFAOYSA-N	379.246	3.700	5	30	GHBC	
CN(CCCNc1ccccc1[N+](=O)[O-])CCCNc1ccccc1[N+](=O)[O-]	5140703	QINTZFYFQXRHFS-UHFFFAOYSA-N	387.440	3.739	5	30	GHBC	
CC(C)(C)c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1	19834440	PEPOPNIFQOANQQ-UHFFFAOYSA-N	383.452	3.641	5	30	GHBC	
O=[N+]([O-])c1cccnc1N1CCCN(C(=S)Nc2ccc(Cl)cc2)CC1	20405990	ZNKCFVNWGGTOHW-UHFFFAOYSA-N	391.884	3.552	5	30	GHBC	
O=C(Nc1cccc2ccccc12)N1CCCN(c2ncccc2[N+](=O)[O-])CC1	20405958	VRKYZGHJJXYNAR-UHFFFAOYSA-N	391.431	3.887	5	30	GHBC	
CC(C)Cc1ccc(C(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1	19834679	ZRMFWGOXTHGMOK-KRWDZBQOSA-N	396.491	3.582	5	30	GHBC	
O=C(C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cccc2)CC1	4307335	UHYMYHGMLSZFSU-UHFFFAOYSA-N	382.464	3.614	5	30	GHBC	
O=C(c1ccc(Cl)cc1)N1CCS[C@H]1COc1ccc([N+](=O)[O-])cc1	1025316	YRMHSRRTHKBHOI-INIZCTEOSA-N	378.837	3.842	5	30	GHBC	
Cc1ccc(OC[C@H]2SCCN2C(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1	1025315	IIYAOYBFEIQTGA-QGZVFWFLSA-N	376.409	3.636	5	30	GHBC	
C[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)COc1ccc([N+](=O)[O-])cc1	33506543	VYKWCDLIIVCPPL-GFCCVEGCSA-N	382.338	3.740	5	30	GHBC	
CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc2n1C	4307619	QXXOSOAHVKEZQN-UHFFFAOYSA-N	385.351	3.655	5	30	GHBC	
Cc1cccc(Cl)c1NC(=O)N1CCCN(c2ncccc2[N+](=O)[O-])CC1	20405957	RPPYDXMRYSIVSL-UHFFFAOYSA-N	389.843	3.696	5	30	GHBC	
CC(=O)C[C@H](c1cccc([N+](=O)[O-])c1)c1c(OC(C)=O)c2ccccc2oc1=O	1041301	KREKELPOEGSPBA-QGZVFWFLSA-N	395.367	3.738	5	30	GHBC	
CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	104957720	IHQGBVYFZMSBRF-UHFFFAOYSA-N	375.347	3.671	5	30	GHBC	
O=C(Nc1ccc(F)cc1)OCCSc1ccc([N+](=O)[O-])c2nonc12	3467175	UTMJCUYUAFTLCK-UHFFFAOYSA-N	378.341	3.611	5	30	GHBC	
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc(-c3ccccc3)cs2)CC1	1349560	UZBZFYIOHDJAOX-UHFFFAOYSA-N	394.456	3.681	5	30	GHBC	
C[N+](C)(C)[C@@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1	2012077	SYYYNDLSZUIOSO-QHCPKHFHSA-N	390.503	3.913	5	30	GHBC	
CC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(OC(C)=O)c2ccccc2oc1=O	1041298	DWIPOVRLZXACPE-KRWDZBQOSA-N	395.367	3.738	5	30	GHBC	
O=C(NC(=O)N1CCCC1)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1	1047329	OICDSQVRFFATCB-UHFFFAOYSA-N	389.795	3.986	5	30	GHBC	
COC(=O)NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	1040675	KYFIOXHVUGJGHS-UHFFFAOYSA-N	384.266	3.902	5	30	GHBC	
Cc1ccc(S(=O)(=O)n2cc(Br)c3cccc([N+](=O)[O-])c32)cc1	1525632361	OZSZCZAKXSPRBU-UHFFFAOYSA-N	395.234	3.857	5	30	GHBC	
NS(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1	1037924	YMIHDGCMWHNRHC-UHFFFAOYSA-N	397.623	3.995	5	30	GHBC	
O=C(CSc1c(F)c(F)c(C(=O)O)c(F)c1F)c1cccc([N+](=O)[O-])c1	4300617	LVYGONAUOFBCRI-UHFFFAOYSA-N	389.282	3.824	5	30	GHBC	
CCCCCCCCCC(=O)O[C@H](C)[C@](Br)([C@@H](C)O)[N+](=O)[O-]	111490282	JLPOMTDHZCNARV-NFAWXSAZSA-N	382.295	3.808	5	30	GHBC	
O=C(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1O	1041847	ZHOFEVDBNZKFPB-UHFFFAOYSA-N	377.356	3.805	5	30	GHBC	
O=C(O[C@@H]1C[N+]2([O-])CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1	44028845	PNHAPLMCCXMFAI-ZYPLVWHTSA-N	378.472	3.878	5	30	GHBC	
COc1cc(C=CC(=O)NCc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC	2265279574	ABQYTMRJZNRGDQ-UHFFFAOYSA-N	376.796	3.595	5	30	GHBC	
Cc1noc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1[N+](=O)[O-]	4350255	SWBVJZOOBJJAOI-UHFFFAOYSA-N	380.719	3.899	5	30	GHBC	
CC(=O)C[C@@H](c1cccc([N+](=O)[O-])c1)c1c(OC(C)=O)c2ccccc2oc1=O	1041300	KREKELPOEGSPBA-KRWDZBQOSA-N	395.367	3.738	5	30	GHBC	
CSc1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2s1	4347445	MDTVKZXNJNMZSM-UHFFFAOYSA-N	381.460	3.727	5	30	GHBC	
CC(C)(C)c1ccc(C(=O)N2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1	19834452	GWJKKGILVQFIAD-UHFFFAOYSA-N	382.464	3.640	5	30	GHBC	
C[C@@H](Cc1cccc(C(F)(F)F)c1)NC(=O)COc1ccc([N+](=O)[O-])cc1	33506542	VYKWCDLIIVCPPL-LBPRGKRZSA-N	382.338	3.740	5	30	GHBC	
Cc1nnc(Sc2ccc([N+](=O)[O-])c(Sc3nnc(C)s3)n2)s1	8647823	SHSCBPZNXDWMBW-UHFFFAOYSA-N	384.493	3.612	5	30	GHBC	
CCCCCCCCCC(=O)O[C@H](C)[C@@](Br)([C@@H](C)O)[N+](=O)[O-]	111490276	JLPOMTDHZCNARV-UMVBOHGHSA-N	382.295	3.808	5	30	GHBC	
O=c1c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2oc2ncccc12	1042513	WYODUAQSPVTPHM-UHFFFAOYSA-N	386.816	3.795	5	30	GHBC	
Cc1noc(/C=C/c2cccn2S(=O)(=O)c2ccccc2Cl)c1[N+](=O)[O-]	4390057	RJPIMYHVEMFWJJ-CMDGGOBGSA-N	393.808	3.754	5	30	GHBC	
Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3-n3cccc3)CC2)cc1	4307377	YOTOYGHHWCITRO-UHFFFAOYSA-N	390.443	3.656	5	30	GHBC	
CCOC(CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1)OCC	2151259	JWDFMQCEUCNXMM-UHFFFAOYSA-N	376.384	3.780	5	30	GHBC	
O=C(OCc1ccccc1Br)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3127009	CIJWTVQRDVHOMF-UHFFFAOYSA-N	381.138	3.623	5	30	GHBC	
CC(C)Cc1ccc(C(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1	19834677	ZRMFWGOXTHGMOK-QGZVFWFLSA-N	396.491	3.582	5	30	GHBC	
Cn1c2ccc(F)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(F)ccc1n3C	72265996	HZZMJJIQCSEESB-UHFFFAOYSA-N	376.362	3.975	5	30	GHBC	
Cc1c(Cl)cccc1NC(=O)N1CCCN(c2ncccc2[N+](=O)[O-])CC1	20405952	XELGHYNAAJCQJN-UHFFFAOYSA-N	389.843	3.696	5	30	GHBC	
O=C(O[C@@H]1C[N+]2([O-])CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1	44028843	PNHAPLMCCXMFAI-XGDXDOFDSA-N	378.472	3.878	5	30	GHBC	
CCOC(=O)CSCC(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	2141990	JAMJXQMPACYLMS-UHFFFAOYSA-N	389.429	3.653	5	30	GHBC	
Cc1ccc(OC[C@@H]2SCCN2C(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1	1025313	IIYAOYBFEIQTGA-KRWDZBQOSA-N	376.409	3.636	5	30	GHBC	
O=[N+]([O-])c1cccc(-c2noc(CSC3=NCCN3Cc3ccccc3)n2)c1	1036299	HJYXNRXPOJNRCF-UHFFFAOYSA-N	395.444	3.750	5	30	GHBC	
Cc1nn(Cc2nnc(SCc3ccc(Cl)cc3)n2C)c(C)c1[N+](=O)[O-]	1038235	RJGIOCGCOZCLBT-UHFFFAOYSA-N	392.872	3.531	5	30	GHBC	
CCN(CC)CCn1nc2c3ccc(O)cc3sc3c(NCCN)ccc1c32	29334414	HPCHDLLMIWHKBW-UHFFFAOYSA-N	397.548	3.822	5	30	GHBC	in-man
Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1	1041691	FPWRLPMUFHMVPF-UHFFFAOYSA-N	394.250	3.793	5	30	GHBC	
C[N+](C)(C)[C@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1	2012078	SYYYNDLSZUIOSO-HSZRJFAPSA-N	390.503	3.913	5	30	GHBC	
O=[N+]([O-])c1cc(Br)cnc1Sc1nc(-c2ccccc2)n[nH]1	4366117	BIXYSSBQIXYRNG-UHFFFAOYSA-N	378.211	3.689	5	30	GHBC	
CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c(OC(C)=O)c2ccccc2oc1=O	1041299	DWIPOVRLZXACPE-QGZVFWFLSA-N	395.367	3.738	5	30	GHBC	
COC(=O)c1cnc(Sc2ccccc2NC(=O)C(C)C)c([N+](=O)[O-])c1	4394893	LSLBIAUZRSBSAY-UHFFFAOYSA-N	375.406	3.522	5	30	GHBC	
O=C(c1ccc(Cl)cc1)N1CCS[C@@H]1COc1ccc([N+](=O)[O-])cc1	1025319	YRMHSRRTHKBHOI-MRXNPFEDSA-N	378.837	3.842	5	30	GHBC	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nc(-c3cnccn3)no2)cc1	1047068	PIWURMYUELITEC-UHFFFAOYSA-N	391.343	3.903	5	30	GHBC	
COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(C)cccc1Cl	1023888	NHLHJSPFWXNQDK-UHFFFAOYSA-N	393.783	3.536	5	30	GHBC	
CSc1nc2ccc(NC(=O)NC(=O)c3ccccc3[N+](=O)[O-])cc2s1	3126416	ZFEWPKVYFBLYHS-UHFFFAOYSA-N	388.430	3.888	5	30	GHBC