smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N[C@@H](CCc1c[n+](CCCC[C@@H](N)C(=O)O)cc(O)c1C[C@H](N)C(=O)O)C(=O)O	22055980	ZAHDXEIQWWLQQL-RDBSUJKOSA-O	413.451	-1.439	10	40	HACB	in-vitro
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	20611638	ZUZXJAQVPBATTD-CARRXDPWSA-N	411.342	-2.318	10	40	HACB	biogenic
N[C@H](CCCC[n+]1cc(O)c(C[C@@H](N)C(=O)O)c(CC[C@@H](N)C(=O)O)c1)C(=O)O	14684183	ZAHDXEIQWWLQQL-MGPQQGTHSA-O	413.451	-1.439	10	40	HACB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O	26789002	ZUZXJAQVPBATTD-FTWGPEONSA-N	411.342	-2.318	10	40	HACB	
CC(=O)N[C@H]1[C@@H](Oc2ccc(N3CCN(C(C)=O)CC3)cc2)O[C@@H](CO)[C@@H](O)[C@@H]1O	8555232	SEISZVSTYTWRRF-UTBUEMAESA-N	423.466	-1.322	10	40	HACB	
C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(O)c1O)C(=O)O	31544555	RYFDAFYFFUVLNW-QRTLGDNMSA-N	411.415	-1.590	10	40	HACB	in-vitro
CC(=O)N[C@@H]1[C@@H](Oc2ccc(N3CCN(C(C)=O)CC3)cc2)O[C@@H](CO)[C@@H](O)[C@@H]1O	8555258	SEISZVSTYTWRRF-OMZCGLGVSA-N	423.466	-1.322	10	40	HACB	
CCCCN1C(=O)/C(=C\NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)C(=O)N=C1O	17249440	QLVDKNRLRYUDSR-HJWRWDBZSA-N	418.414	-1.146	10	40	HACB	
N[C@@H](Cc1c(O)c[n+](CCCC[C@@H](N)C(=O)O)cc1CC[C@@H](N)C(=O)O)C(=O)O	14684185	ZAHDXEIQWWLQQL-MCIONIFRSA-O	413.451	-1.439	10	40	HACB	
CC(=O)N[C@H]1[C@H](Oc2ccc(N3CCN(C(C)=O)CC3)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O	6623755	SEISZVSTYTWRRF-LASHMREHSA-N	423.466	-1.322	10	40	HACB	biogenic
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O	35423049	ZUZXJAQVPBATTD-PSBIDLHUSA-N	411.342	-2.318	10	40	HACB	
CCN1C(=O)/C(=C\NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)C(=O)NC1=S	5919486	ASOUAWWQHYKONI-SREVYHEPSA-N	406.428	-1.966	10	40	HACB	
CC1(CCC(=O)N[C@@H]2[C@@H](O)C[C@](O)(C(=O)O)O[C@H]2[C@H](O)[C@H](O)CN=[N+]=[N-])N=N1	306147530	VHQQNRUSBGYPTK-JFWPBOEBSA-N	402.364	-1.612	10	40	HACB	
O=C1NC(=S)NC(=O)C1=CNCCCCCCNC=C1C(=O)NC(=S)NC1=O	20808101	KJOKNQTWEHYMMF-UHFFFAOYSA-N	424.508	-1.444	10	40	HACB	
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc(N2CCN(C(C)=O)CC2)cc1	8555225	SEISZVSTYTWRRF-MDMHHNQBSA-N	423.466	-1.322	10	40	HACB	
N[C@@H](CCc1c[n+](CCCC[C@@H](N)C(=O)O)cc(O)c1C[C@@H](N)C(=O)O)C(=O)O	33989554	ZAHDXEIQWWLQQL-HZSPNIEDSA-O	413.451	-1.439	10	40	HACB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	35423047	ZUZXJAQVPBATTD-JGJFMQBCSA-N	411.342	-2.318	10	40	HACB	
N=c1nc(N[N+](=O)[O-])nc2[nH]nc(/N=N/c3n[nH]c4nc(N[N+](=O)[O-])nc(=N)n34)n12	408722010	OENDUBVKMQYUDL-FMQUCBEESA-N	418.258	-2.200	10	40	HACB	
CN1C(=O)C(=CNNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)C(=O)N(C)C1=S	8838307	LAIYDBZTGVUKSV-UHFFFAOYSA-N	406.428	-2.014	10	40	HACB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	26788997	ZUZXJAQVPBATTD-HGNHWWPRSA-N	411.342	-2.318	10	40	HACB	
Cn1c(=O)c2c(nc(NN/C=C3\C(=O)NC(=O)N(C(C)(C)C)C3=O)n2C)n(C)c1=O	9327445	LEUWNYFNFCQSPG-BQYQJAHWSA-N	418.414	-1.352	10	40	HACB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	35423044	ZUZXJAQVPBATTD-BLKMWATBSA-N	411.342	-2.318	10	40	HACB	
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc(N2CCN(C(C)=O)CC2)cc1	8555252	SEISZVSTYTWRRF-KNJMJIDISA-N	423.466	-1.322	10	40	HACB