smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1nc(C)c(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)s1	4362648	QNESAERFYSMRNV-UHFFFAOYSA-N	380.539	1.990	10	30	GDCC	
CCn1c(O)c(/N=N/c2cccc(P(=O)(O)O)c2)c(C)c(C(N)=O)c1=O	238790049	WJPDXHREZGGNEI-ISLYRVAYSA-N	380.297	1.200	10	30	GDCC	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)([C@H](C)O)CC3	5395986	FCGIQQFXNIJXMK-FPVGNUTFSA-N	384.384	1.482	10	30	GDCC	biogenic
CCOC(=O)N1CCN(/[N+]([O-])=N\Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	40753406	DNJRNBYZLPKSHV-XMHGGMMESA-N	384.305	1.448	10	30	GDCC	
O=C(NC1=C[C@@H](NC(=O)c2cccc(O)c2O)CC=C1)c1cccc(O)c1O	223489923	JPLSTUIXEPHHBG-LBPRGKRZSA-N	382.372	1.881	10	30	GDCC	
COC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)o1	4362666	IWPJCCKWMAXUGZ-UHFFFAOYSA-N	393.465	1.297	10	30	GDCC	
O=C(NC1=C[C@H](NC(=O)c2cccc(O)c2O)CC=C1)c1cccc(O)c1O	223489870	JPLSTUIXEPHHBG-GFCCVEGCSA-N	382.372	1.881	10	30	GDCC	
CCN1C(=O)/C(=C/C=C2\CCCN2CCCOS(=O)(=O)O)SC1=S	38191471	VUVLDJJPEKFUOO-CZIBKUHYSA-N	392.524	1.940	10	30	GDCC	
CNc1ccc(O)c2c1C(=O)c1c(O)c(S(=O)(=O)O)cc(NC)c1C2=O	33505840	IQKGZMXXNZXGJL-UHFFFAOYSA-N	378.362	1.203	10	30	GDCC	
COCCN1C(=O)NC(=O)C(=Cc2cc3c(cc2Br)OCO3)C1=O	2265271950	OFACWTDBOWNCSA-UHFFFAOYSA-N	397.181	1.286	10	30	GDCC	
CN1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)CCO4)cc2)CC1	4362646	ZCIQZHJCBSWEKP-UHFFFAOYSA-N	387.505	1.852	10	30	GDCC	
COc1cc(C(F)(F)F)c(C(=O)NC2(O)C(=O)c3ccccc3C2=O)cn1	1029975	RAZGTIAHFHGIDH-UHFFFAOYSA-N	380.278	1.607	10	30	GDCC	
Cc1c(/N=N/c2cccc(OS(=O)(=O)N(C)C)c2)c(O)n(C)c(=O)c1C#N	238790258	WNHCFYIFWSOSMQ-VHEBQXMUSA-N	391.409	1.872	10	30	GDCC	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@@H](C)O)CC3	5395989	FCGIQQFXNIJXMK-AOUSDQRYSA-N	384.384	1.482	10	30	GDCC	biogenic,in-vitro
COCCCNC1C(=O)c2c(N)c3c(c(N)c2C1=O)C(=O)c1ccccc1C3=O	111900711	HLJSNIRVZGORDT-UHFFFAOYSA-N	393.399	1.000	10	30	GDCC	
[N-]=[N+]=NCCCCC(=O)Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O	2265385050	SOSWCJUZICQHGB-GFCCVEGCSA-N	398.379	1.507	10	30	GDCC	
O=C1c2c([N+](=O)[O-])ccc(O)c2C(=O)c2c(O)c([N+](=O)[O-])cc([N+](=O)[O-])c21	111885468	ZBTXWMXJWUFKMS-UHFFFAOYSA-N	375.205	1.598	10	30	GDCC	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)([C@@H](C)O)CC3	5395987	FCGIQQFXNIJXMK-BTKVJGODSA-N	384.384	1.482	10	30	GDCC	biogenic
COCCCNC(=O)c1cc(N)c2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	5997814	LXOWAMNDRCJQED-UHFFFAOYSA-N	383.360	1.719	10	30	GDCC	
Nc1nc(N)c(N=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(O)n1	263609621	VGJDGPPQCFQVPS-UHFFFAOYSA-N	387.385	1.353	10	30	GDCC	
CS(=O)(=O)NS(=O)(=O)c1ccc(Nc2ccc(N)cc2)c([N+](=O)[O-])c1	38171523	WRQIIXLYPOTIEK-UHFFFAOYSA-N	386.411	1.159	10	30	GDCC	
COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)oc1C	1026112	FTEPIESIAHVUGB-UHFFFAOYSA-N	394.449	1.894	10	30	GDCC	
O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(N2CCOCC2)cc1	1034437	QFXGJUVCOUYRGA-UHFFFAOYSA-N	379.416	1.436	10	30	GDCC	
CCNc1ccc(NCCNCCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O	220995366	RERCDCXLQKXTFM-UHFFFAOYSA-N	385.420	1.299	10	30	GDCC	
CN1N=C(C(F)(F)F)C(=CNc2ccc(S(=O)(=O)N(C)C)cc2)C1=O	2265276469	DJBCLRNEINWEAP-UHFFFAOYSA-N	376.360	1.623	10	30	GDCC	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@H](C)O)CC3	5395988	FCGIQQFXNIJXMK-JLTPVHFHSA-N	384.384	1.482	10	30	GDCC	biogenic,in-vitro
CN1CCN(c2ccc(CNS(=O)(=O)c3cccc4nonc34)cc2)CC1	4362651	WJXJZIFLOGZESV-UHFFFAOYSA-N	387.465	1.453	10	30	GDCC	
[N-]=[N+]=NCCCCC(=O)Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O	2265385051	SOSWCJUZICQHGB-LBPRGKRZSA-N	398.379	1.507	10	30	GDCC