smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C=C(C)[C@@H]1[C@H]2OC(=O)[C@H]1[C@]1(O)[C@@H]3O[C@@H]3[C@]3(OC(C)=O)CO[C@@H]2[C@]31C	1307214423	GHRWKEZPHWVFKN-AHWPPFCESA-N	336.340	-0.047	30	30	EBEC	biogenic
CCOC(=O)[C@]1(COS(C)(=O)=O)C[C@H]1COS(C)(=O)=O	220458073	CKTMTRYYLYJJFV-WPRPVWTQSA-N	330.380	-0.492	30	30	EBEC	
CNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C	43771549	OCSMOTCMPXTDND-DCAQKATOSA-N	331.413	-0.208	30	30	EBEC	
C=C(C)[C@@H]1[C@H]2OC(=O)[C@H]1[C@]1(O)[C@@H]3O[C@@H]3[C@]3(OC(C)=O)CO[C@H]2[C@@]31C	1307214424	GHRWKEZPHWVFKN-SFLHMYBOSA-N	336.340	-0.047	30	30	EBEC	biogenic
C=CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1N1C(=O)c2ccccc2C1=O	108473952	ZPZAUIIISMQKHG-XKSGDERDSA-N	349.339	-0.707	30	30	EBEC	
C=C1CO[C@@](O)([C@@H]2OCO[C@@H](C3CC(=O)NC(=O)C3)[C@H]2O)[C@H]1C	223706973	ULQATHQJWVNXEJ-PFMPLYMZSA-N	327.333	-0.947	30	30	EBEC	
CC(=O)OC1=C[C@H](C)O[C@H](n2cnc3c2c(=O)n(C)c(=O)n3C)C1=O	3838536	WQGGKSUUUHJGPM-WJWGPLDTSA-N	348.315	-0.633	30	30	EBEC	
CC1(C)O[C@@H]2[C@H](CO)O[C@](C#N)(c3ccc4c(N)ncnn34)[C@@H]2O1	2265365063	IJCOKJGMVJGKBB-AYIJCJCZSA-N	331.332	-0.058	30	30	EBEC	
C=CCN(CC=C)C[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	4344400	YFKGNQQSCJXSDJ-GFCCVEGCSA-N	333.392	-0.531	30	30	EBEC	
O=C1N[C@@H]2CS[C@H](CCCC(=O)ON3C(=O)CCC3=O)[C@@H]2N1	247939379	OYNSUXGJVGCMLV-DNSOKLHBSA-N	327.362	-0.071	30	30	EBEC	
C=CCN(CC=C)C[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	164104	YFKGNQQSCJXSDJ-LBPRGKRZSA-N	333.392	-0.531	30	30	EBEC	
CC1(C)O[C@@H]2[C@H](CO)O[C@@](C#N)(c3ccc4c(N)ncnn34)[C@@H]2O1	219978562	IJCOKJGMVJGKBB-NFOTXUCKSA-N	331.332	-0.058	30	30	EBEC	
O=C1N[C@@H]2CS[C@@H](CCCC(=O)ON3C(=O)CCC3=O)[C@@H]2N1	247939382	OYNSUXGJVGCMLV-RGNHYFCHSA-N	327.362	-0.071	30	30	EBEC	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C#Cc1ccccc1	28637086	HJLOBSRXCVPYOM-RRFJBIMHSA-N	328.324	-0.423	30	30	EBEC	
CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](O)C(=O)NO)C(C)(C)C	11616943	OCSMOTCMPXTDND-MXWKQRLJSA-N	331.413	-0.208	30	30	EBEC	
C=C(C)[C@@H]1[C@H]2OC(=O)[C@H]1[C@]1(O)[C@@H]3O[C@@H]3[C@]3(OC(C)=O)CO[C@@H]2[C@@]31C	1307214425	GHRWKEZPHWVFKN-UNNXHVSQSA-N	336.340	-0.047	30	30	EBEC	biogenic
C=C(C)[C@@H]1[C@H]2OC(=O)[C@H]1[C@]1(O)[C@@H]3O[C@@H]3[C@]3(OC(C)=O)CO[C@H]2[C@]31C	1307214426	GHRWKEZPHWVFKN-VULZRJHPSA-N	336.340	-0.047	30	30	EBEC	biogenic
C[C@H](OS(C)(=O)=O)[C@@](Cc1ccccc1)(OC(N)=O)C(N)=O	141964734	ZKBSWKZPOKQJSG-TVQRCGJNSA-N	330.362	-0.087	30	30	EBEC	
CCC(CC)[C@@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1N=C(N)N	5819214	XRQDFNLINLXZLB-ZOLYEBIHSA-N	328.413	-0.349	30	30	EBEC	fda
C=CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N1C(=O)c2ccccc2C1=O	22047915	ZPZAUIIISMQKHG-CVXDVXMKSA-N	349.339	-0.707	30	30	EBEC	in-vitro
CCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	111396977	REISOHCMNXKYLD-APIJFGDWSA-N	335.441	-0.321	30	30	EBEC	
CCC(CC)[C@@H](NC(C)=O)[C@@H]1[C@H](N=C(N)N)C[C@H](C(=O)O)[C@@H]1O	6655360	XRQDFNLINLXZLB-OFTGVCEQSA-N	328.413	-0.349	30	30	EBEC	
C=CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1N1C(=O)c2ccccc2C1=O	14418525	ZPZAUIIISMQKHG-QFRSUPTLSA-N	349.339	-0.707	30	30	EBEC	in-vitro
CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C	27079413	OCSMOTCMPXTDND-VWYCJHECSA-N	331.413	-0.208	30	30	EBEC	
C#CCOCCOCCOCCOCC(=O)ON1C(=O)CCC1=O	888086764	GYEPTYINFCZLBX-UHFFFAOYSA-N	343.332	-0.707	30	30	EBEC	
CC1(C)O[C@H]2[C@H](O1)[C@H](CO)O[C@]2(C#N)c1ccc2c(N)ncnn12	2265365064	IJCOKJGMVJGKBB-XDYICZGBSA-N	331.332	-0.058	30	30	EBEC	
CNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)[C@@H](O)C(=O)NO)C(C)(C)C	11616941	OCSMOTCMPXTDND-AXFHLTTASA-N	331.413	-0.208	30	30	EBEC