COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@](O)(CO)[C@@H]2CO)ccc1O	ZINC000001668769	25/45/66/212254566	KCIQZCNOUZCRGH-VOBQZIQPSA-N	0	376.405	GD	1.135	0	Anodyne	ref	GDAARN	COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@](O)(CO)[C@@H]2CO)ccc1O	in-vitro biogenic
CC[C@@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	ZINC000013369897	39/63/15/522396315	CPMFRQHRPWPNMP-DTLAOWSZSA-N	0	386.872	GD	1.418	1	Mild	mid	GDEBMN	CC[C@@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	in-vitro biogenic
CC[C@@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	ZINC000013369897	39/63/09/522396309	CPMFRQHRPWPNMP-DTLAOWSZSA-N	0	386.872	GD	1.418	0	Mild	ref	GDEBRN	CC[C@@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)C2CO1	in-vitro biogenic
CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	ZINC000013369900	00/06/68/522000668	CPMFRQHRPWPNMP-MKNDVDEGSA-N	0	386.872	GD	1.418	1	Mild	mid	GDEBMN	CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	in-vitro biogenic
CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	ZINC000013369900	00/06/55/522000655	CPMFRQHRPWPNMP-MKNDVDEGSA-N	0	386.872	GD	1.418	0	Mild	ref	GDEBRN	CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)C2CO1	in-vitro biogenic
CC[C@@H](C)[C@@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	ZINC000013369903	32/62/90/522326290	CPMFRQHRPWPNMP-VGFHXCLNSA-N	0	386.872	GD	1.418	1	Mild	mid	GDEBMN	CC[C@@H](C)[C@@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	in-vitro biogenic
CC[C@@H](C)[C@@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	ZINC000013369903	32/62/78/522326278	CPMFRQHRPWPNMP-VGFHXCLNSA-N	0	386.872	GD	1.418	0	Mild	ref	GDEBRN	CC[C@@H](C)[C@@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)C2CO1	in-vitro biogenic
CC[C@H](C)[C@@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	ZINC000013369906	87/92/40/521879240	CPMFRQHRPWPNMP-BCQXKGLLSA-N	0	386.872	GD	1.418	1	Mild	mid	GDEBMN	CC[C@H](C)[C@@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	in-vitro biogenic
CC[C@H](C)[C@@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	ZINC000013369906	87/92/24/521879224	CPMFRQHRPWPNMP-BCQXKGLLSA-N	0	386.872	GD	1.418	0	Mild	ref	GDEBRN	CC[C@H](C)[C@@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)C2CO1	in-vitro biogenic
C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC)=C31)O2	ZINC000015195947	10/39/07/291103907	QYCVLCCQAORDAF-IRDOPNQDSA-N	0	394.42	GD	1.27	0	Mild	ref	GDEBRN	C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC)=C31)O2	in-vitro biogenic
COC(=O)c1c(C)cc(OC2=C(C)C(=O)[C@H](O)[C@@](C)(OC)[C@@H]2O)c(C)c1O	ZINC000031160645	75/46/05/521754605	BXZJZDQDHHZIIB-YQVWRLOYSA-N	0	380.393	GD	1.158	0	Mild	ref	GDEARN	COC(=O)c1c(C)cc(OC2C(C)C(=O)C(=O)[C@@](C)(OC)[C@@H]2O)c(C)c1O	in-vitro biogenic
COC(=O)c1c(C)cc(OC2=C(C)C(=O)[C@@H](O)[C@](C)(OC)[C@@H]2O)c(C)c1O	ZINC000031160652	75/42/51/521754251	BXZJZDQDHHZIIB-LMMKCTJWSA-N	0	380.393	GD	1.158	0	Mild	ref	GDEBRN	COC(=O)c1c(C)cc(OC2C(C)C(=O)C(=O)[C@](C)(OC)[C@@H]2O)c(C)c1O	in-vitro biogenic
COC(=O)c1c(C)cc(OC2=C(C)C(=O)[C@H](O)[C@](C)(OC)[C@@H]2O)c(C)c1O	ZINC000031160656	75/45/03/521754503	BXZJZDQDHHZIIB-SCTDSRPQSA-N	0	380.393	GD	1.158	0	Mild	ref	GDEARN	COC(=O)c1c(C)cc(OC2C(C)C(=O)C(=O)[C@](C)(OC)[C@@H]2O)c(C)c1O	in-vitro biogenic
COC(=O)c1c(C)cc(O)c(C)c1O[C@@H]1C(=O)C(C)=C(O)[C@@H](O)[C@@]1(C)OC	ZINC000031160742	75/51/66/521755166	GJGRGJCMJUMZKN-ZHALLVOQSA-N	-1	380.393	GD	1.724	0	Mild	ref	GDEARM	COC(=O)c1c(C)cc(O)c(C)c1O[C@@H]1C(=O)C(C)=C([O-])[C@@H](O)[C@@]1(C)OC	in-vitro biogenic
COC(=O)c1c(C)cc(O)c(C)c1O[C@H]1C(=O)C(C)=C(O)[C@@H](O)[C@@]1(C)OC	ZINC000031160746	75/50/44/521755044	GJGRGJCMJUMZKN-ZIFCJYIRSA-N	-1	380.393	GD	1.724	0	Mild	ref	GDEBRM	COC(=O)c1c(C)cc(O)c(C)c1O[C@H]1C(=O)C(C)=C([O-])[C@@H](O)[C@@]1(C)OC	in-vitro biogenic
COC(=O)c1c(C)cc(O)c(C)c1O[C@@H]1C(=O)C(C)=C(O)[C@H](O)[C@@]1(C)OC	ZINC000031160749	75/54/91/521755491	GJGRGJCMJUMZKN-YQVWRLOYSA-N	-1	380.393	GD	1.724	0	Mild	ref	GDEARM	COC(=O)c1c(C)cc(O)c(C)c1O[C@@H]1C(=O)C(C)=C([O-])[C@H](O)[C@@]1(C)OC	in-vitro biogenic
COC(=O)c1c(C)cc(O)c(C)c1O[C@H]1C(=O)C(C)=C(O)[C@H](O)[C@@]1(C)OC	ZINC000031160753	75/48/84/521754884	GJGRGJCMJUMZKN-JENIJYKNSA-N	-1	380.393	GD	1.724	0	Mild	ref	GDEBRM	COC(=O)c1c(C)cc(O)c(C)c1O[C@H]1C(=O)C(C)=C([O-])[C@H](O)[C@@]1(C)OC	in-vitro biogenic
C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC)=C31)O2	ZINC000031162791	58/69/38/518586938	QYCVLCCQAORDAF-JVYLMLIESA-N	0	394.42	GD	1.27	0	Mild	ref	GDEARN	C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC)=C31)O2	in-vitro biogenic
C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC)=C31)O2	ZINC000031162798	58/74/21/518587421	QYCVLCCQAORDAF-BIELTZTQSA-N	0	394.42	GD	1.27	0	Mild	ref	GDEBRN	C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC)=C31)O2	in-vitro biogenic
C=C1C(=O)O[C@@H]2[C@H]1CC(=O)[C@H](C)[C@@](O)(C(=O)/C=C/C)[C@H]2OC(=O)[C@H](C)CC	ZINC000031165939	65/94/01/518659401	DFGOIVFBKDWNBI-RCSFRVDZSA-N	0	378.421	GD	1.527	0	Mild	ref	GDEARN	C=C1C(=O)O[C@@H]2[C@H]1CC(=O)[C@H](C)[C@@](O)(C(=O)/C=C/C)[C@H]2OC(=O)[C@H](C)CC	in-vitro biogenic
C=C1C(=O)O[C@@H]2[C@H]1CC(=O)[C@H](C)[C@@](O)(C(=O)/C=C/C)[C@H]2OC(=O)[C@@H](C)CC	ZINC000031165943	65/91/83/518659183	DFGOIVFBKDWNBI-FHVMCZSQSA-N	0	378.421	GD	1.527	0	Mild	ref	GDEARN	C=C1C(=O)O[C@@H]2[C@H]1CC(=O)[C@H](C)[C@@](O)(C(=O)/C=C/C)[C@H]2OC(=O)[C@@H](C)CC	in-vitro biogenic
C/C=C(/C)C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)/C(C)=C/CO)[C@H]1C(C)C	ZINC000031166139	47/78/33/518477833	CARMWCSYOJNGRD-FFPTXMBDSA-N	0	380.437	GD	1.488	0	Mild	ref	GDEARN	C/C=C(/C)C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)/C(C)=C/CO)[C@H]1C(C)C	in-vitro biogenic
CO[C@@H]1C=C(COC(=O)c2ccccc2)[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@@H]1O	ZINC000031166667	09/02/64/560090264	HITZIDGSAVZVQH-IYWMVGAKSA-N	0	398.411	GD	1.746	0	Anodyne	ref	GDAARN	CO[C@@H]1C=C(COC(=O)c2ccccc2)[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@@H]1O	in-vitro biogenic
CC(=O)O[C@@]12[C@@H]([C@@H]3C=C(CO)C[C@H]4C(=O)C(C)=C[C@H]4[C@@]3(O)[C@@H](C)[C@H]1O)C2(C)C	ZINC000031166857	10/66/47/291106647	WZYGIALDVOKLLL-SFVPIPRHSA-N	0	390.476	GD	1.386	0	Mild	ref	GDEBRN	CC(=O)O[C@@]12[C@@H]([C@@H]3C=C(CO)C[C@H]4C(=O)C(C)=C[C@H]4[C@@]3(O)[C@@H](C)[C@H]1O)C2(C)C	in-vitro biogenic
C=C1[C@H](O)[C@@H]2O[C@]2(C[C@@H]2C(C)=CC[C@@H]3[C@@](C)(CO)CCC[C@]23C)[C@H](O)[C@@H]1O	ZINC000035456459	66/65/48/518666548	GVERAYRFYVBXKO-FXBZZATDSA-N	0	378.509	GD	1.938	0	Mild	ref	GDEBRN	C=C1[C@H](O)[C@@H]2O[C@]2(C[C@@H]2C(C)=CC[C@@H]3[C@@](C)(CO)CCC[C@]23C)[C@H](O)[C@@H]1O	in-vitro biogenic
C=C1[C@H](O)[C@@H]2O[C@]2(C[C@@H]2C(C)=CC[C@H]3[C@@](C)(CO)CCC[C@]23C)[C@H](O)[C@@H]1O	ZINC000035456464	66/71/58/518667158	GVERAYRFYVBXKO-AGUVCWSISA-N	0	378.509	GD	1.938	0	Mild	ref	GDEBRN	C=C1[C@H](O)[C@@H]2O[C@]2(C[C@@H]2C(C)=CC[C@H]3[C@@](C)(CO)CCC[C@]23C)[C@H](O)[C@@H]1O	in-vitro biogenic
C=C1[C@H](O)[C@@H]2O[C@]2(C[C@@H]2C(C)=CC[C@@H]3[C@](C)(CO)CCC[C@]23C)[C@H](O)[C@@H]1O	ZINC000035456469	66/75/69/518667569	GVERAYRFYVBXKO-IAQCGGHPSA-N	0	378.509	GD	1.938	0	Mild	ref	GDEBRN	C=C1[C@H](O)[C@@H]2O[C@]2(C[C@@H]2C(C)=CC[C@@H]3[C@](C)(CO)CCC[C@]23C)[C@H](O)[C@@H]1O	in-vitro biogenic
C=C1[C@H](O)[C@@H]2O[C@]2(C[C@@H]2C(C)=CC[C@H]3[C@](C)(CO)CCC[C@]23C)[C@H](O)[C@@H]1O	ZINC000035456475	66/68/19/518666819	GVERAYRFYVBXKO-BYAMGZEUSA-N	0	378.509	GD	1.938	0	Mild	ref	GDEBRN	C=C1[C@H](O)[C@@H]2O[C@]2(C[C@@H]2C(C)=CC[C@H]3[C@](C)(CO)CCC[C@]23C)[C@H](O)[C@@H]1O	in-vitro biogenic
O=C(OC[C@@]1(O)[C@@H](O)[C@@H](OC(=O)c2ccccc2)C=C[C@H]1O)c1ccccc1	ZINC000035457583	41/43/19/574414319	AWCUZBLYCWUTRL-NYUBLWNDSA-N	0	384.384	GD	1.092	0	Anodyne	ref	GDAARN	O=C(OC[C@@]1(O)[C@@H](O)[C@@H](OC(=O)c2ccccc2)C=C[C@H]1O)c1ccccc1	in-man endogenous
O=C(OC[C@]1(O)[C@@H](O)[C@@H](OC(=O)c2ccccc2)C=C[C@H]1O)c1ccccc1	ZINC000035457586	08/15/62/560081562	AWCUZBLYCWUTRL-TWFHAPMSSA-N	0	384.384	GD	1.092	0	Anodyne	ref	GDABRN	O=C(OC[C@]1(O)[C@@H](O)[C@@H](OC(=O)c2ccccc2)C=C[C@H]1O)c1ccccc1	in-man biogenic
O=C(OC[C@]1(O)[C@@H](O)C=C[C@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1	ZINC000035457590	08/15/53/560081553	AWCUZBLYCWUTRL-NTLWEQJWSA-N	0	384.384	GD	1.092	0	Anodyne	ref	GDABRN	O=C(OC[C@]1(O)[C@@H](O)C=C[C@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1	in-man biogenic
O=C(OC[C@@]1(O)[C@@H](O)C=C[C@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1	ZINC000035457594	22/80/54/204228054	AWCUZBLYCWUTRL-RYLXDESZSA-N	0	384.384	GD	1.092	0	Anodyne	ref	GDABRN	O=C(OC[C@@]1(O)[C@@H](O)C=C[C@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1	in-man biogenic
C=C1C(=O)C[C@@H]2O[C@]2(C)C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)[C@H]1OC(=O)/C(C)=C\C	ZINC000035458540	65/91/75/518659175	NHWGDYFJTDTLPV-CNKCULFPSA-N	0	376.405	GD	1.4	0	Mild	ref	GDEBRN	C=C1C(=O)C[C@@H]2O[C@]2(C)C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)[C@H]1OC(=O)/C(C)=C\C	in-vitro biogenic
C=C1C(=O)C[C@@H]2O[C@]2(C)C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)[C@@H]1OC(=O)/C(C)=C\C	ZINC000035458542	65/97/05/518659705	NHWGDYFJTDTLPV-OFXYGERHSA-N	0	376.405	GD	1.4	0	Mild	ref	GDEBRN	C=C1C(=O)C[C@@H]2O[C@]2(C)C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)[C@@H]1OC(=O)/C(C)=C\C	in-vitro biogenic
C=C1C(=O)C[C@@H]2O[C@]2(C)C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)[C@H]1OC(=O)/C(C)=C\C	ZINC000035458546	65/87/44/518658744	NHWGDYFJTDTLPV-CLYIVDROSA-N	0	376.405	GD	1.4	0	Mild	ref	GDEBRN	C=C1C(=O)C[C@@H]2O[C@]2(C)C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)[C@H]1OC(=O)/C(C)=C\C	in-vitro biogenic
C=C1C(=O)C[C@@H]2O[C@]2(C)C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)[C@@H]1OC(=O)/C(C)=C\C	ZINC000035458549	65/79/94/518657994	NHWGDYFJTDTLPV-AONUMNLFSA-N	0	376.405	GD	1.4	0	Mild	ref	GDEBRN	C=C1C(=O)C[C@@H]2O[C@]2(C)C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)[C@@H]1OC(=O)/C(C)=C\C	in-vitro biogenic
CO[C@@H]1C=C(COC(=O)c2ccccc2)[C@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1O	ZINC000035464179	08/16/14/560081614	HITZIDGSAVZVQH-WCIQWLHISA-N	0	398.411	GD	1.746	0	Anodyne	ref	GDAARN	CO[C@@H]1C=C(COC(=O)c2ccccc2)[C@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1O	in-vitro biogenic
CO[C@H]1C=C(COC(=O)c2ccccc2)[C@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1O	ZINC000035464182	22/79/62/204227962	HITZIDGSAVZVQH-HAGHYFMRSA-N	0	398.411	GD	1.746	0	Anodyne	ref	GDABRN	CO[C@H]1C=C(COC(=O)c2ccccc2)[C@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1O	in-vitro biogenic
CO[C@@H]1C=C(COC(=O)c2ccccc2)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1O	ZINC000035464185	82/42/69/221824269	HITZIDGSAVZVQH-WTGUMLROSA-N	0	398.411	GD	1.746	0	Anodyne	ref	GDABRN	CO[C@@H]1C=C(COC(=O)c2ccccc2)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1O	in-vitro biogenic
CO[C@H]1C=C(COC(=O)c2ccccc2)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1O	ZINC000035464189	08/15/70/560081570	HITZIDGSAVZVQH-NMLBUPMWSA-N	0	398.411	GD	1.746	0	Anodyne	ref	GDABRN	CO[C@H]1C=C(COC(=O)c2ccccc2)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1O	in-vitro biogenic
CCCCCC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	ZINC000035464552	08/15/59/560081559	PBKUOHTZGOWWBK-NAXSUVGOSA-N	0	384.513	GD	1.938	0	Anodyne	ref	GDABRN	CCCCCC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	in-vitro biogenic
CCCCCC(=O)O[C@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	ZINC000035464555	22/74/04/204227404	PBKUOHTZGOWWBK-AJPPRCLOSA-N	0	384.513	GD	1.938	0	Anodyne	ref	GDABRN	CCCCCC(=O)O[C@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	in-vitro biogenic
CCCCCC(=O)O[C@@H]1C=C(CO)[C@@](O)(CO)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	ZINC000035464558	22/78/64/204227864	PBKUOHTZGOWWBK-JSCGBJRHSA-N	0	384.513	GD	1.938	0	Anodyne	ref	GDABRN	CCCCCC(=O)O[C@@H]1C=C(CO)[C@@](O)(CO)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	in-vitro biogenic
CCCCCC(=O)O[C@H]1C=C(CO)[C@@](O)(CO)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	ZINC000035464561	71/16/68/209711668	PBKUOHTZGOWWBK-BWOMAWGNSA-N	0	384.513	GD	1.938	0	Anodyne	ref	GDABRN	CCCCCC(=O)O[C@H]1C=C(CO)[C@@](O)(CO)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	in-vitro biogenic
CC(C)[C@H](C(=O)N1CCC[C@@H]1C(=O)O)N(C)C(=O)[C@H](O)Cc1ccccc1	ZINC000035464606	08/15/51/560081551	QXLPHJAUIZITEO-BRWVUGGUSA-N	-1	376.453	GD	1.149	0	Anodyne	ref	GDAARM	CC(C)[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])N(C)C(=O)[C@H](O)Cc1ccccc1	in-vitro biogenic
CC(C)[C@H](C(=O)N1CCC[C@H]1C(=O)O)N(C)C(=O)[C@H](O)Cc1ccccc1	ZINC000035464612	08/15/61/560081561	QXLPHJAUIZITEO-GVDBMIGSSA-N	-1	376.453	GD	1.149	0	Anodyne	ref	GDAARM	CC(C)[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])N(C)C(=O)[C@H](O)Cc1ccccc1	in-vitro biogenic
CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)C2=CO1	ZINC000036374818	99/99/09/521999909	BRELKNNWUMEGDN-LNPGMHNWSA-N	0	384.856	GD	1.686	0	Mild	ref	GDEARN	CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)C2=CO1	in-vitro biogenic
CC(=O)O[C@@]12[C@@H](O)[C@@H](C)[C@@]3(O)[C@@H]4C=C(C)C(=O)[C@@H]4CC(CO)=C[C@@H]3[C@@H]1C2(C)C	ZINC000037539077	75/86/32/519758632	WZYGIALDVOKLLL-FOWTXUNTSA-N	0	390.476	GD	1.386	0	Mild	ref	GDEBRN	CC(=O)O[C@@]12[C@@H](O)[C@@H](C)[C@@]3(O)[C@@H]4C=C(C)C(=O)[C@@H]4CC(CO)=C[C@@H]3[C@@H]1C2(C)C	in-vitro biogenic
CC(=O)O[C@@]12[C@@H](O)[C@H](C)[C@@]3(O)[C@@H]4C=C(C)C(=O)[C@@H]4CC(CO)=C[C@@H]3[C@@H]1C2(C)C	ZINC000037539079	75/84/97/519758497	WZYGIALDVOKLLL-DOOPPLOTSA-N	0	390.476	GD	1.386	0	Mild	ref	GDEBRN	CC(=O)O[C@@]12[C@@H](O)[C@H](C)[C@@]3(O)[C@@H]4C=C(C)C(=O)[C@@H]4CC(CO)=C[C@@H]3[C@@H]1C2(C)C	in-vitro biogenic
CC(=O)O[C@@]12[C@H](O)[C@@H](C)[C@@]3(O)[C@@H]4C=C(C)C(=O)[C@@H]4CC(CO)=C[C@@H]3[C@@H]1C2(C)C	ZINC000037539081	75/85/78/519758578	WZYGIALDVOKLLL-VJXBXRMASA-N	0	390.476	GD	1.386	0	Mild	ref	GDEBRN	CC(=O)O[C@@]12[C@H](O)[C@@H](C)[C@@]3(O)[C@@H]4C=C(C)C(=O)[C@@H]4CC(CO)=C[C@@H]3[C@@H]1C2(C)C	in-vitro biogenic
CC(=O)O[C@@]12[C@H](O)[C@H](C)[C@@]3(O)[C@@H]4C=C(C)C(=O)[C@@H]4CC(CO)=C[C@@H]3[C@@H]1C2(C)C	ZINC000037539083	75/85/86/519758586	WZYGIALDVOKLLL-CVUZYHCBSA-N	0	390.476	GD	1.386	0	Mild	ref	GDEBRN	CC(=O)O[C@@]12[C@H](O)[C@H](C)[C@@]3(O)[C@@H]4C=C(C)C(=O)[C@@H]4CC(CO)=C[C@@H]3[C@@H]1C2(C)C	in-vitro biogenic
COC1=C(OC)C(=O)C([C@H]2COc3c(cc(OC)c(OC)c3OC)C2)=CC1=O	ZINC000045097098	44/57/34/208445734	TZOHVRDKXUMVIU-LLVKDONJSA-N	0	390.388	GD	1.846	0	Mild	ref	GDEARN	COC1=C(OC)C(=O)C([C@H]2COc3c(cc(OC)c(OC)c3OC)C2)=CC1=O	in-vitro biogenic
C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)C[C@@H](O)C[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O	ZINC000067912627	16/76/20/222167620	PEEGIHKIWQFTKW-PNVKTQAWSA-N	0	378.421	GD	1.173	0	Anodyne	ref	GDAARN	C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)C[C@@H](O)C[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O	in-vitro biogenic
C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)C[C@@H](O)C[C@H]3[C@@]12C[C@H](c1ccoc1)OC2=O	ZINC000067912629	04/92/58/560049258	PEEGIHKIWQFTKW-LFRHSIHNSA-N	0	378.421	GD	1.173	0	Anodyne	ref	GDAARN	C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)C[C@@H](O)C[C@H]3[C@@]12C[C@H](c1ccoc1)OC2=O	in-vitro biogenic
C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)C[C@@H](O)C[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O	ZINC000067912631	16/75/10/222167510	PEEGIHKIWQFTKW-RGWVKGFGSA-N	0	378.421	GD	1.173	0	Anodyne	ref	GDAARN	C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)C[C@@H](O)C[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O	in-vitro biogenic
C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)C[C@@H](O)C[C@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O	ZINC000067912634	04/92/63/560049263	PEEGIHKIWQFTKW-TVPZYKKCSA-N	0	378.421	GD	1.173	0	Anodyne	ref	GDAARN	C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)C[C@@H](O)C[C@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O	in-vitro biogenic
C[C@@H]1C[C@H]2OC[C@@]3(O)CC[C@@H](O)[C@H]([C@@]14C[C@H](c1ccoc1)OC4=O)[C@@]23CO	ZINC000067912991	04/93/61/560049361	DHPGIJYSTONUPM-XDKJKQSSSA-N	0	378.421	GD	1.173	0	Anodyne	ref	GDABRN	C[C@@H]1C[C@H]2OC[C@@]3(O)CC[C@@H](O)[C@H]([C@@]14C[C@H](c1ccoc1)OC4=O)[C@@]23CO	in-vitro biogenic
C[C@H]1C[C@H]2OC[C@@]3(O)CC[C@@H](O)[C@H]([C@@]14C[C@H](c1ccoc1)OC4=O)[C@@]23CO	ZINC000067912994	04/93/54/560049354	DHPGIJYSTONUPM-SBOVCZBRSA-N	0	378.421	GD	1.173	0	Anodyne	ref	GDABRN	C[C@H]1C[C@H]2OC[C@@]3(O)CC[C@@H](O)[C@H]([C@@]14C[C@H](c1ccoc1)OC4=O)[C@@]23CO	in-vitro biogenic
C[C@@H]1C[C@@H]2OC[C@@]3(O)CC[C@@H](O)[C@H]([C@@]14C[C@H](c1ccoc1)OC4=O)[C@@]23CO	ZINC000067912995	38/02/98/207380298	DHPGIJYSTONUPM-WJMMUUIOSA-N	0	378.421	GD	1.173	0	Anodyne	ref	GDABRN	C[C@@H]1C[C@@H]2OC[C@@]3(O)CC[C@@H](O)[C@H]([C@@]14C[C@H](c1ccoc1)OC4=O)[C@@]23CO	in-vitro biogenic
C[C@H]1C[C@@H]2OC[C@@]3(O)CC[C@@H](O)[C@H]([C@@]14C[C@H](c1ccoc1)OC4=O)[C@@]23CO	ZINC000067912998	38/05/99/207380599	DHPGIJYSTONUPM-WAGABVSKSA-N	0	378.421	GD	1.173	0	Anodyne	ref	GDABRN	C[C@H]1C[C@@H]2OC[C@@]3(O)CC[C@@H](O)[C@H]([C@@]14C[C@H](c1ccoc1)OC4=O)[C@@]23CO	in-vitro biogenic
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](O)[C@H](OC(=O)[C@H](C)CC)[C@@H]12	ZINC000067913404	65/78/71/518657871	KZJNKSIORXDWKH-WDVLEDGRSA-N	0	378.421	GD	1.241	0	Reactive	ref	GDGBRN	C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](O)[C@H](OC(=O)[C@H](C)CC)[C@@H]12	in-vitro biogenic
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12	ZINC000067913406	65/78/16/518657816	KZJNKSIORXDWKH-WFMWHOQESA-N	0	378.421	GD	1.241	0	Reactive	ref	GDGBRN	C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12	in-vitro biogenic
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12	ZINC000067913408	65/78/98/518657898	KZJNKSIORXDWKH-YOYNSPSVSA-N	0	378.421	GD	1.241	0	Reactive	ref	GDGBRN	C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12	in-vitro biogenic
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12	ZINC000067913411	65/68/68/518656868	KZJNKSIORXDWKH-DVOQPYETSA-N	0	378.421	GD	1.241	0	Reactive	ref	GDGBRN	C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12	in-vitro biogenic
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](OC)[C@H](OC(=O)[C@H](C)CC)[C@@H]12	ZINC000067913412	65/76/56/518657656	LOFBWESEBFUNJU-GBPFGUSLSA-N	0	392.448	GD	1.895	0	Reactive	ref	GDGBRN	C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](OC)[C@H](OC(=O)[C@H](C)CC)[C@@H]12	in-vitro biogenic
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](OC)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12	ZINC000067913415	65/74/49/518657449	LOFBWESEBFUNJU-WPQSKBQZSA-N	0	392.448	GD	1.895	0	Reactive	ref	GDGBRN	C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](OC)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12	in-vitro biogenic
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](OC)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12	ZINC000067913417	65/75/81/518657581	LOFBWESEBFUNJU-VMHJVYPBSA-N	0	392.448	GD	1.895	0	Reactive	ref	GDGBRN	C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](OC)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12	in-vitro biogenic
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](OC)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12	ZINC000067913419	65/77/44/518657744	LOFBWESEBFUNJU-DNFDJYSSSA-N	0	392.448	GD	1.895	0	Reactive	ref	GDGBRN	C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](OC)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12	in-vitro biogenic
C=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(=C)C[C@H]2OC(=O)[C@@H](COC)[C@H]12	ZINC000072320066	58/78/28/518587828	VAFAXNHOIDDOAS-JMOFJWQWSA-N	0	376.405	GD	1.87	0	Mild	ref	GDEBRN	C=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(=C)C[C@H]2OC(=O)[C@@H](COC)[C@H]12	in-vitro biogenic
C=C(C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)C(=C)C[C@H]2OC(=O)[C@@H](COC)[C@H]12	ZINC000072320067	58/63/08/518586308	VAFAXNHOIDDOAS-SISWJWMXSA-N	0	376.405	GD	1.87	0	Mild	ref	GDEBRN	C=C(C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)C(=C)C[C@H]2OC(=O)[C@@H](COC)[C@H]12	in-vitro biogenic
C=C(C)C(=O)O[C@@H]1C[C@]2(C)OC(=CC2=O)C(=C)C[C@H]2OC(=O)[C@@H](COC)[C@H]12	ZINC000072320068	58/81/16/518588116	VAFAXNHOIDDOAS-DTKPQSEASA-N	0	376.405	GD	1.87	0	Mild	ref	GDEBRN	C=C(C)C(=O)O[C@@H]1C[C@]2(C)OC(=CC2=O)C(=C)C[C@H]2OC(=O)[C@@H](COC)[C@H]12	in-vitro biogenic
C=C(C)C(=O)O[C@H]1C[C@]2(C)OC(=CC2=O)C(=C)C[C@H]2OC(=O)[C@@H](COC)[C@H]12	ZINC000072320069	58/70/76/518587076	VAFAXNHOIDDOAS-XJFXBBFESA-N	0	376.405	GD	1.87	0	Mild	ref	GDEBRN	C=C(C)C(=O)O[C@H]1C[C@]2(C)OC(=CC2=O)C(=C)C[C@H]2OC(=O)[C@@H](COC)[C@H]12	in-vitro biogenic
COc1cc(C[C@@H](CO)[C@@](O)(Cc2ccc(O)c(OC)c2)C(=O)O)ccc1O	ZINC000072320080	22/56/60/222225660	AHGPVQKOFUZLOJ-XOBRGWDASA-N	-1	392.404	GD	1.324	0	Anodyne	ref	GDAARM	COc1cc(C[C@@H](CO)[C@@](O)(Cc2ccc(O)c(OC)c2)C(=O)[O-])ccc1O	in-vitro biogenic
COc1cc(C[C@H](CO)[C@@](O)(Cc2ccc(O)c(OC)c2)C(=O)O)ccc1O	ZINC000072320081	07/78/78/560077878	AHGPVQKOFUZLOJ-VLIAUNLRSA-N	-1	392.404	GD	1.324	0	Anodyne	ref	GDAARM	COc1cc(C[C@H](CO)[C@@](O)(Cc2ccc(O)c(OC)c2)C(=O)[O-])ccc1O	in-vitro biogenic
COc1cc(C[C@@H](CO)[C@](O)(Cc2ccc(O)c(OC)c2)C(=O)O)ccc1O	ZINC000072320082	74/47/37/210744737	AHGPVQKOFUZLOJ-VBKZILBWSA-N	-1	392.404	GD	1.324	0	Anodyne	ref	GDAARM	COc1cc(C[C@@H](CO)[C@](O)(Cc2ccc(O)c(OC)c2)C(=O)[O-])ccc1O	in-vitro biogenic
COc1cc(C[C@H](CO)[C@](O)(Cc2ccc(O)c(OC)c2)C(=O)O)ccc1O	ZINC000072320083	22/63/01/222226301	AHGPVQKOFUZLOJ-JLTOFOAXSA-N	-1	392.404	GD	1.324	0	Anodyne	ref	GDAARM	COc1cc(C[C@H](CO)[C@](O)(Cc2ccc(O)c(OC)c2)C(=O)[O-])ccc1O	in-vitro biogenic
COC(=O)c1c(C)cc(OC2=C(C)C(=O)[C@@H](O)[C@@](C)(OC)[C@@H]2O)c(C)c1O	ZINC000094156248	75/46/18/521754618	BXZJZDQDHHZIIB-ZHALLVOQSA-N	0	380.393	GD	1.158	0	Mild	ref	GDEBRN	COC(=O)c1c(C)cc(OC2C(C)C(=O)C(=O)[C@@](C)(OC)[C@@H]2O)c(C)c1O	in-vitro biogenic
O=C(OC[C@]1(O)[C@H](O)C=C[C@H](OC(=O)c2ccccc2)[C@H]1O)c1ccccc1	ZINC000095919483	41/71/27/574417127	AWCUZBLYCWUTRL-OOSNJVJTSA-N	0	384.384	GD	1.092	0	Anodyne	ref	GDABRN	O=C(OC[C@]1(O)[C@H](O)C=C[C@H](OC(=O)c2ccccc2)[C@H]1O)c1ccccc1	in-man endogenous
C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC)=C31)O2	ZINC000100061777	58/66/00/518586600	QYCVLCCQAORDAF-VPLORVQLSA-N	0	394.42	GD	1.27	0	Mild	ref	GDEBRN	C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC)=C31)O2	in-vitro biogenic
COC1=C(OC)C(=O)C([C@@H]2COc3c(cc(OC)c(OC)c3OC)C2)=CC1=O	ZINC000100064074	99/23/31/522992331	TZOHVRDKXUMVIU-NSHDSACASA-N	0	390.388	GD	1.846	0	Mild	ref	GDEARN	COC1=C(OC)C(=O)C([C@@H]2COc3c(cc(OC)c(OC)c3OC)C2)=CC1=O	in-vitro biogenic
COC(=O)c1ccc(O[C@@H](CO)[C@H](O)c2ccc(O)c(OC)c2)c(OC)c1	ZINC000225283688	03/62/43/560036243	OMXHMQVMAFLCRB-ZWKOTPCHSA-N	0	378.377	GD	1.669	0	Anodyne	ref	GDAARN	COC(=O)c1ccc(O[C@@H](CO)[C@H](O)c2ccc(O)c(OC)c2)c(OC)c1	in-vitro biogenic
COC(=O)c1ccc(O[C@H](CO)[C@H](O)c2ccc(O)c(OC)c2)c(OC)c1	ZINC000225283725	67/28/33/222672833	OMXHMQVMAFLCRB-QZTJIDSGSA-N	0	378.377	GD	1.669	0	Anodyne	ref	GDAARN	COC(=O)c1ccc(O[C@H](CO)[C@H](O)c2ccc(O)c(OC)c2)c(OC)c1	in-vitro biogenic
COC(=O)c1ccc(O[C@@H](CO)[C@@H](O)c2ccc(O)c(OC)c2)c(OC)c1	ZINC000225283745	03/62/35/560036235	OMXHMQVMAFLCRB-ROUUACIJSA-N	0	378.377	GD	1.669	0	Anodyne	ref	GDAARN	COC(=O)c1ccc(O[C@@H](CO)[C@@H](O)c2ccc(O)c(OC)c2)c(OC)c1	in-vitro biogenic
COC(=O)c1ccc(O[C@H](CO)[C@@H](O)c2ccc(O)c(OC)c2)c(OC)c1	ZINC000225283785	88/91/08/211889108	OMXHMQVMAFLCRB-MSOLQXFVSA-N	0	378.377	GD	1.669	0	Anodyne	ref	GDAARN	COC(=O)c1ccc(O[C@H](CO)[C@@H](O)c2ccc(O)c(OC)c2)c(OC)c1	in-vitro biogenic
O=C(OC[C@@]1(O)[C@@H](O)[C@H](OC(=O)c2ccccc2)C=C[C@H]1O)c1ccccc1	ZINC000229763735	26/03/69/206260369	AWCUZBLYCWUTRL-WIRSXHRWSA-N	0	384.384	GD	1.092	0	Anodyne	ref	GDAARN	O=C(OC[C@@]1(O)[C@@H](O)[C@H](OC(=O)c2ccccc2)C=C[C@H]1O)c1ccccc1	in-man endogenous
C=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(=C)C[C@@H]2OC(=O)[C@@H](COC)[C@@H]21	ZINC000229774617	58/78/13/518587813	VAFAXNHOIDDOAS-HDCQOPJRSA-N	0	376.405	GD	1.87	0	Mild	ref	GDEARN	C=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(=C)C[C@@H]2OC(=O)[C@@H](COC)[C@@H]21	in-vitro biogenic
COC[C@@H]1OC(=O)c2coc3c2[C@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@@H]1O	ZINC000230140092	04/20/97/560042097	SIROZWFVILRLGG-GJPXPDKGSA-N	0	386.4	GD	1.966	0	Mild	ref	GDEARN	COC[C@@H]1OC(=O)c2coc3c2[C@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@@H]1O	in-vitro biogenic
CC(C)[C@H](C(=O)N1CCC[C@@H]1C(=O)O)N(C)C(=O)[C@@H](O)Cc1ccccc1	ZINC000230140663	04/21/25/560042125	QXLPHJAUIZITEO-IXDOHACOSA-N	-1	376.453	GD	1.149	0	Anodyne	ref	GDAARM	CC(C)[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])N(C)C(=O)[C@@H](O)Cc1ccccc1	in-vitro biogenic
CCCCCC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@]2(C)[C@H](O)CCC(C)(C)[C@@H]12	ZINC000248105726	93/92/49/519939249	PBKUOHTZGOWWBK-BQLRMLCTSA-N	0	384.513	GD	1.938	0	Anodyne	ref	GDABRN	CCCCCC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@]2(C)[C@H](O)CCC(C)(C)[C@@H]12	in-vitro biogenic
CCCCCC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)[C@@H]1C(C)(C)CC[C@H]2O	ZINC000248105729	03/65/43/560036543	PBKUOHTZGOWWBK-FESPYFOJSA-N	0	384.513	GD	1.938	0	Anodyne	ref	GDABRN	CCCCCC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)[C@@H]1C(C)(C)CC[C@H]2O	in-vitro biogenic
CCCCCC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	ZINC000248105731	03/65/46/560036546	PBKUOHTZGOWWBK-JXCHDGQWSA-N	0	384.513	GD	1.938	0	Anodyne	ref	GDABRN	CCCCCC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	in-vitro biogenic
CCCCCC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@]2(C)[C@@H](O)CCC(C)(C)[C@@H]12	ZINC000248105733	03/65/41/560036541	PBKUOHTZGOWWBK-YXYLECDTSA-N	0	384.513	GD	1.938	0	Anodyne	ref	GDABRN	CCCCCC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@]2(C)[C@@H](O)CCC(C)(C)[C@@H]12	in-vitro biogenic
C[C@@H]1C[C@@H]2OC[C@]3(O)CC[C@H](O)[C@H]([C@]14C[C@H](c1ccoc1)OC4=O)[C@@]23CO	ZINC000248329557	03/65/51/560036551	DHPGIJYSTONUPM-FKIXNKSWSA-N	0	378.421	GD	1.173	0	Anodyne	ref	GDABRN	C[C@@H]1C[C@@H]2OC[C@]3(O)CC[C@H](O)[C@H]([C@]14C[C@H](c1ccoc1)OC4=O)[C@@]23CO	in-vitro biogenic
C[C@@H]1C[C@@H]2OC[C@]3(O)CC[C@H](O)[C@H]([C@]14C[C@H](c1ccoc1)OC4=O)[C@]23CO	ZINC000248329559	03/65/50/560036550	DHPGIJYSTONUPM-NDMWCWKFSA-N	0	378.421	GD	1.173	0	Anodyne	ref	GDABRN	C[C@@H]1C[C@@H]2OC[C@]3(O)CC[C@H](O)[C@H]([C@]14C[C@H](c1ccoc1)OC4=O)[C@]23CO	in-vitro biogenic
C[C@@H]1C[C@@H]2OC[C@]3(O)CC[C@H](O)[C@H]([C@]14C[C@@H](c1ccoc1)OC4=O)[C@]23CO	ZINC000248329561	35/38/72/525353872	DHPGIJYSTONUPM-SWOJKVQMSA-N	0	378.421	GD	1.173	0	Anodyne	ref	GDABRN	C[C@@H]1C[C@@H]2OC[C@]3(O)CC[C@H](O)[C@H]([C@]14C[C@@H](c1ccoc1)OC4=O)[C@]23CO	in-vitro biogenic
C[C@@H]1C[C@@H]2OC[C@]3(O)CC[C@H](O)[C@H]([C@]14C[C@@H](c1ccoc1)OC4=O)[C@@]23CO	ZINC000248329564	35/55/53/525355553	DHPGIJYSTONUPM-UTEIZZETSA-N	0	378.421	GD	1.173	0	Anodyne	ref	GDABRN	C[C@@H]1C[C@@H]2OC[C@]3(O)CC[C@H](O)[C@H]([C@]14C[C@@H](c1ccoc1)OC4=O)[C@@]23CO	in-vitro biogenic
COC(=O)c1c(C)cc(OC2=C(C)C(=O)[C@H](O)[C@@](C)(OC)[C@H]2O)c(C)c1O	ZINC000252463549	04/12/20/560041220	BXZJZDQDHHZIIB-JENIJYKNSA-N	0	380.393	GD	1.158	0	Mild	ref	GDEBRN	COC(=O)c1c(C)cc(OC2C(C)C(=O)C(=O)[C@@](C)(OC)[C@H]2O)c(C)c1O	in-vitro biogenic
COC(=O)c1c(C)cc(OC2=C(C)C(=O)[C@H](O)[C@](C)(OC)[C@H]2O)c(C)c1O	ZINC000252463550	04/12/21/560041221	BXZJZDQDHHZIIB-LNLFQRSKSA-N	0	380.393	GD	1.158	0	Mild	ref	GDEBRN	COC(=O)c1c(C)cc(OC2C(C)C(=O)C(=O)[C@](C)(OC)[C@H]2O)c(C)c1O	in-vitro biogenic
C=C(C)[C@@H]1CC[C@H](C)[C@]12C[C@H](O)[C@]1(C)O[C@@H]1[C@H]2OC(=O)[C@@H](N)CCC(=O)O	ZINC000252506377	04/09/79/560040979	RMFZYEBIQCUWPE-MJVPTSEISA-N	-1	381.469	GD	1.621	1	Anodyne	mid	GDACMM	C=C(C)[C@@H]1CC[C@H](C)[C@]12C[C@H](O)[C@]1(C)O[C@@H]1[C@H]2OC(=O)[C@@H](N)CCC(=O)[O-]	 
C=C(C)[C@@H]1CC[C@H](C)[C@]12C[C@H](O)[C@]1(C)O[C@@H]1[C@H]2OC(=O)[C@@H](N)CCC(=O)O	ZINC000252506377	04/09/76/560040976	RMFZYEBIQCUWPE-MJVPTSEISA-N	-1	381.469	GD	1.621	0	Anodyne	ref	GDACRM	C=C(C)[C@@H]1CC[C@H](C)[C@]12C[C@H](O)[C@]1(C)O[C@@H]1[C@H]2OC(=O)[C@@H]([NH3+])CCC(=O)[O-]