smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1O/C(=C\c2cc3c4c(c2)CCCN4CCC3)c2ccc([N+](=O)[O-])cc21	1041102	HRZBVIWKGBEGAI-ODLFYWEKSA-N	362.385	3.962	10	30	FHCC	
CC1(C)OC(=O)C(=Cc2cccn2-c2ccc(C(F)(F)F)cc2)C(=O)O1	1046567	POMMUFLYPKGEBX-UHFFFAOYSA-N	365.307	3.716	10	30	FHCC	
O=C1NNC(c2ccccc2)=N/C1=C/c1ccc(OCc2ccccc2)cc1	1036608	FHYINIXDXFRRTJ-RCCKNPSSSA-N	369.424	3.688	10	30	FHCC	
CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c1O	5195826	SFQIGPZCFNTPOD-KRWDZBQOSA-N	356.374	3.724	10	30	FHCC	biogenic,in-vivo
CC1=NN(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1OCC(=O)O	111904062	CPDCFQUIJBFGEV-FHZYVREQSA-N	362.385	3.512	10	30	FHCC	
COc1cccc(C=C2SC(=S)NC2=O)c1OCc1ccccc1	2265272079	VECYDIQLHSUOKJ-UHFFFAOYSA-N	357.456	3.763	10	30	FHCC	
FC(F)(F)c1cccc(NNC(=S)Nc2ccc3c(c2)OCCO3)c1	1045655	WFGPIIMIQAYSHB-UHFFFAOYSA-N	369.368	3.790	10	30	FHCC	
CN(C)Cc1ccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)cc1	5140476	IVFRHOQHKQWEHJ-UHFFFAOYSA-N	371.440	3.849	10	30	FHCC	
O=C1c2ccccc2C(=O)c2c(Nc3nc(Cl)nc(Cl)n3)cccc21	34133565	GUJADTQBTAIXOR-UHFFFAOYSA-N	371.183	3.697	10	30	FHCC	
CCCCOc1cc(N=Nc2ccc(N(CCO)CCO)cc2)ccc1N	256103289	CFOWFFPERGTOBX-UHFFFAOYSA-N	372.469	3.654	10	30	FHCC	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(N)cc2)cc1	5160668	KICSZWPFAXOJMY-UHFFFAOYSA-N	352.459	3.973	10	30	FHCC	
COC(=O)CCN1CCc2cc(/N=N/c3ccc([N+](=O)[O-])cc3)ccc21	18099259	VBUURYFWBBWJLE-FMQUCBEESA-N	354.366	3.936	10	30	FHCC	
Cc1nn(-c2ccccc2)c(N)c1/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	33940434	FNANWDHJXQWWSM-VHEBQXMUSA-N	367.325	3.995	10	30	FHCC	
CCOC(=O)c1cc(C)n(-c2ccc(I)cc2)c1C	1047163	HRBMLCRRAQZRMF-UHFFFAOYSA-N	369.202	3.875	10	30	FHCC	
O=C(O)c1cc(/N=N/c2ccc3cccc(S(=O)(=O)O)c3c2)ccc1O	6094558	LOOJZALNGIOBGE-VHEBQXMUSA-N	372.358	3.906	10	30	FHCC	
O=C1c2cccc(Cl)c2C(=O)c2c(Cl)c([N+](=O)[O-])cc([N+](=O)[O-])c21	141734243	YTTLIFSUZNRABS-UHFFFAOYSA-N	367.100	3.585	10	30	FHCC	
CN1CCN(c2ccc(CNC(=O)c3csc4ccccc34)cc2)CC1	4362573	GUAGSUJVKKJORF-UHFFFAOYSA-N	365.502	3.583	10	30	FHCC	
O=C(O)c1ccccc1/N=N/c1cc(S(=O)(=O)O)c2ccccc2c1O	6117689	MFKHYSFQCICQPA-VHEBQXMUSA-N	372.358	3.906	10	30	FHCC	
CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O	49033379	XNPVHIQPSAZTLC-WIRSXHRWSA-N	360.450	3.912	10	30	FHCC	in-man
CC(C)(/N=N/C(C)(C)C(=O)NC1CCCCC1)C(=O)NC1CCCCC1	100473722	WMRNGPYHLQSTDL-WCWDXBQESA-N	364.534	3.894	10	30	FHCC	
Cc1cc(=O)oc2cc(OC(=O)/C=C/c3ccc([N+](C)(C)C)cc3)ccc12	2169818	CJYPRORPWLJGJM-KPKJPENVSA-N	364.421	3.917	10	30	FHCC	
CN(C)CN(c1ccccc1)c1ccc(N)c2c1C(=O)c1ccccc1C2=O	60257579	KNYCQIZLNHVBCJ-UHFFFAOYSA-N	371.440	3.701	10	30	FHCC	
O=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccs1	4297061	XYNAZVCYZMLOLG-UHFFFAOYSA-N	358.416	3.951	10	30	FHCC	
COC(=O)C[C@H](/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	223674926	NOJTVTWFHOSGBU-YWMAMYRUSA-N	358.310	3.891	10	30	FHCC	
c1c2c(cc3c1OCO3)OCN(CCOC13C[C@H]4C[C@@H](C1)C[C@@H](C3)C4)C2	2265279848	JJMLDSFDOODCIR-MSMDPAEMSA-N	357.450	3.553	10	30	FHCC	
COc1cccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c1O	1041405	YHNJLYHDHOTWEC-FOWTUZBSSA-N	371.483	3.845	10	30	FHCC	
CC(C)(C)C(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O	100375355	OFVFGKQCUDMLLP-UHFFFAOYSA-N	364.445	3.993	10	30	FHCC	in-man
COc1ccc(Oc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)cc1	5141243	BGIJPDMVGSTDDJ-UHFFFAOYSA-N	361.353	3.551	10	30	FHCC	
COC(=O)C[C@@H](/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	223674966	NOJTVTWFHOSGBU-IAFNSTAXSA-N	358.310	3.891	10	30	FHCC	
[N-]=[N+]=N[C@H]1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)[C@@H]1O	35942185	XJPSKFVIPXVHTA-FYQPLNBISA-N	353.422	3.848	10	30	FHCC	in-vitro
CNc1ccc(C(=C2C=CC(CN)(CN)C=C2)c2ccc(N(C)C)cc2)cc1	238790549	AMVGPSRCIYTHCV-UHFFFAOYSA-N	374.532	3.626	10	30	FHCC	
CC(=O)[C@@H](/N=N/c1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccc(C)cc1	111400463	HGJWARUBRHEKRD-SGRLSNSRSA-N	354.366	3.892	10	30	FHCC	
O=C1NC(=O)C(=Cc2ccc(N3CCC(C(F)(F)F)CC3)cc2)S1	2265279559	SMOXSGFATCVGFA-UHFFFAOYSA-N	356.369	3.789	10	30	FHCC	
CN(C)c1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1	38614829	UWDPSTRFRZUJGZ-UHFFFAOYSA-N	358.397	3.977	10	30	FHCC	
Cc1cc(C)c(C(=O)C(=O)C(=O)C(=O)c2c(C)cc(C)cc2C)c(C)c1	6069692	OKPHOCZMMHASKA-UHFFFAOYSA-N	350.414	3.741	10	30	FHCC	
O=C(O)c1cc(/N=N/c2cccc3ccc(S(=O)(=O)O)cc23)ccc1O	38605116	UQQJDUXJCCNCSE-VHEBQXMUSA-N	372.358	3.906	10	30	FHCC	
Cc1c(Br)c(O)c(O)c(Br)c1Br	6068705	KMNDTYWRUVCTHV-UHFFFAOYSA-N	360.827	3.694	10	30	FHCC	biogenic
CN(C)Cc1ccccc1Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O	38635711	KDJPCYAZURWAFR-UHFFFAOYSA-N	371.440	3.849	10	30	FHCC	
CC(=O)[C@H](/N=N/c1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccc(C)cc1	111400468	HGJWARUBRHEKRD-UAFUQJIBSA-N	354.366	3.892	10	30	FHCC	
Nc1cc2c(=O)c3cc(Cl)ccc3[nH]c2c2c1C(=O)c1ccccc1C2=O	201199362	NIGKOGWBYBWFAB-UHFFFAOYSA-N	374.783	3.692	10	30	FHCC	
CN(C)Cc1cccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)c1	5140478	QXIXGQFTPKEPOF-UHFFFAOYSA-N	371.440	3.849	10	30	FHCC	
CC(C)(C)OC(=O)N1CCN(c2ccc(OCC(F)(F)F)cc2)CC1	139688518	PASDPHMQPAJYAJ-UHFFFAOYSA-N	360.376	3.685	10	30	FHCC