smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1NC(=S)NC(=O)C1=CNCCNC=C1C(=O)NC(=S)NC1=O	3066978	FLCJZBIBVRLBPG-UHFFFAOYSA-N	368.400	-3.005	10	40	FACB	
NS(=O)(=O)c1ccc(NC(=S)NC=C2C(=O)NC(=O)NC2=O)cc1	1637596	ZMLYGCGEAMCMBR-UHFFFAOYSA-N	369.384	-1.130	10	40	FACB	
CC(=O)OC([C@@H](OC(C)=O)C(=O)C=[N+]=[N-])[C@@H](OC(C)=O)C(=O)C=[N+]=[N-]	5431808	PWMLOHHAGDIDHP-RYUDHWBXSA-N	354.275	-1.479	10	40	FACB	
CC(=O)N1CCN(CCNC=C2C(=O)N(C)C(=S)N(C)C2=O)CC1	20503024	ZNYNWWAUBVWJCW-UHFFFAOYSA-N	353.448	-1.161	10	40	FACB	
CC(=O)OC([C@H](OC(C)=O)C(=O)C=[N+]=[N-])[C@@H](OC(C)=O)C(=O)C=[N+]=[N-]	17105857	PWMLOHHAGDIDHP-FUNVUKJBSA-N	354.275	-1.479	10	40	FACB	
CNC(=O)C(=[N+]=[N-])C(=O)Nn1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)nn1	8713736	KXCRHVUGNHPTJE-HTQZYQBOSA-N	366.407	-1.450	10	40	FACB	
CC(=O)OC([C@H](OC(C)=O)C(=O)C=[N+]=[N-])[C@H](OC(C)=O)C(=O)C=[N+]=[N-]	5431790	PWMLOHHAGDIDHP-VXGBXAGGSA-N	354.275	-1.479	10	40	FACB	
O=C(NN1C(=O)CSC1=S)C(=O)NN1C(=O)CSC1=S	3238237	RIURYLYWPUZPNO-UHFFFAOYSA-N	350.428	-1.231	10	40	FACB	
CN1C(=O)C(=C/C=C/C=C/[c-]2c(=O)n(C)c(=O)n(C)c2=O)C(=O)N(C)C1=O	685944809	ZSAFDCSUCOBDLC-SBIWHPGTSA-N	373.345	-1.291	10	40	FACB	
COc1ccc(N2C(=O)NC(=O)/C(=C/NC(CO)(CO)CO)C2=O)cc1	5558825	KGDRYRNPXBOJKW-SDQBBNPISA-N	365.342	-1.533	10	40	FACB	
O=C1NC(=S)NC(=O)C1=CNc1ccc(S(=O)(=O)NCCO)cc1	3067187	DWHJRYYGAQAGTL-UHFFFAOYSA-N	370.412	-1.216	10	40	FACB	
CNC(=S)N1CCN(CCNC=C2C(=O)NC(=S)NC2=O)CC1	96791721	RPPSTYJXXIRIDK-UHFFFAOYSA-N	356.477	-1.887	10	40	FACB	
O=C(O[C@@H]([C@H](O)C(=O)O)[C@H](O)[C@@H](O)C(=O)O)c1cc(O)c(O)c(O)c1	2060993664	FBPPHYOVUHIMMF-DOLQZWNJSA-N	362.243	-2.419	10	40	FACB	
CNC(=O)C(=[N+]=[N-])C(=O)Nn1cc(C(=S)N2C[C@H](C)O[C@H](C)C2)nn1	16949427	KXCRHVUGNHPTJE-OCAPTIKFSA-N	366.407	-1.450	10	40	FACB	
Cn1c(=O)c2c(nc(NN/C=C3\C(=O)NC(=O)N=C3O)n2C)n(C)c1=O	8971048	ZCHXYLMDNAXYHK-UHFFFAOYSA-N	362.306	-2.023	10	40	FACB	
CNC(=O)C(=[N+]=[N-])C(=O)Nn1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)nn1	16949425	KXCRHVUGNHPTJE-YUMQZZPRSA-N	366.407	-1.450	10	40	FACB	
COc1ccccc1N1C(=O)NC(=O)/C(=C\NC(CO)(CO)CO)C1=O	408527137	CTYRTGJKBLBAAH-UXBLZVDNSA-N	365.342	-1.533	10	40	FACB