CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1	ZINC000003830391	47/23/84/487472384	BOEGTKLJZSQCCD-UEKVPHQBSA-N	0	363.395	FC	0.151	1	Anodyne	mid	FCAAMN	CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1	fda
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1	ZINC000003830391	47/23/76/487472376	BOEGTKLJZSQCCD-UEKVPHQBSA-N	-1	363.395	FC	0.151	0	Anodyne	ref	FCAARM	CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1	fda
C=C1C(=O)[C@]23[C@@H](CC[C@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O	ZINC000003982482	47/33/79/487473379	SDHTXBWLVGWJFT-AYUPFEHVSA-N	0	364.438	FC	0.376	0	Mild	ref	FCEARN	C=C1C(=O)[C@]23[C@@H](CC[C@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O	 
CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)CC1	ZINC000004991958	48/40/06/487484006	LAQBVXSPDDEIAL-IPJQOSJUSA-N	-1	350.371	FC	0.474	0	Anodyne	ref	FCAARM	CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)CC1	 
CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)CC1	ZINC000006645460	25/75/49/204257549	LAQBVXSPDDEIAL-HPTBWKMGSA-N	-1	350.371	FC	0.474	0	Anodyne	ref	FCAARM	CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)CC1	 
CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)CC1	ZINC000006645461	25/75/70/204257570	LAQBVXSPDDEIAL-ZOPJHEKZSA-N	-1	350.371	FC	0.474	0	Anodyne	ref	FCAARM	CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)CC1	 
CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)CC1	ZINC000006645462	15/05/63/207150563	LAQBVXSPDDEIAL-KOFHJDLBSA-N	-1	350.371	FC	0.474	0	Anodyne	ref	FCAARM	CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)CC1	 
O=C(O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000006645522	49/75/58/487497558	AAKPWRIZWQJRRP-NSHDSACASA-N	-1	358.391	FC	0.817	0	Anodyne	ref	FCAARM	O=C([O-])CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	 
O=C(O)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000006645523	25/87/19/204258719	AAKPWRIZWQJRRP-LLVKDONJSA-N	-1	358.391	FC	0.817	0	Anodyne	ref	FCAARM	O=C([O-])CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	 
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(=O)O)C2)cc1	ZINC000006645526	25/80/63/204258063	APBXBIDTOFOEDC-LBPRGKRZSA-N	-1	370.427	FC	0.687	0	Anodyne	ref	FCAARM	COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(=O)[O-])C2)cc1	 
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(=O)O)C2)cc1	ZINC000006645527	15/10/01/207151001	APBXBIDTOFOEDC-GFCCVEGCSA-N	-1	370.427	FC	0.687	0	Anodyne	ref	FCAARM	COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(=O)[O-])C2)cc1	 
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)C(=O)O)C2)cc1	ZINC000006645528	49/75/77/487497577	MULMVAYHPYDXBR-NWDGAFQWSA-N	-1	370.427	FC	0.685	0	Anodyne	ref	FCAARM	COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)C(=O)[O-])C2)cc1	 
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)C(=O)O)C2)cc1	ZINC000006645529	25/82/23/204258223	MULMVAYHPYDXBR-RYUDHWBXSA-N	-1	370.427	FC	0.685	0	Anodyne	ref	FCAARM	COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)C(=O)[O-])C2)cc1	 
C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O	ZINC000012661785	40/62/34/207406234	SDHTXBWLVGWJFT-XKCURVIJSA-N	0	364.438	FC	0.376	0	Mild	ref	FCEARN	C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O	in-vitro biogenic
CN1C(=O)C(=CN[C@H](Cc2c[nH]c3ccccc23)C(=O)O)C(=O)N(C)C1=O	ZINC000019535444	60/45/09/487604509	QXYZPGHLBHHCFA-CQSZACIVSA-N	-1	370.365	FC	0.687	0	Clean	ref	FCCARM	CN1C(=O)C(=CN[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C(=O)N(C)C1=O	 
CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	ZINC000057268646	08/61/51/221086151	SOODLZHDDSGRKL-FOOXYVKASA-N	0	353.415	FC	0.244	3	Anodyne	high	FCAAHN	CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	 
CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	ZINC000057268646	08/61/49/221086149	SOODLZHDDSGRKL-FOOXYVKASA-N	1	353.415	FC	0.244	1	Anodyne	mid	FCAAMO	CC(C)[C@H]1C(=O)O[C@@H]2CC[N@H+]3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	 
CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	ZINC000057268646	08/61/46/221086146	SOODLZHDDSGRKL-FOOXYVKASA-N	1	353.415	FC	0.244	0	Anodyne	ref	FCAARO	CC(C)[C@H]1C(=O)O[C@@H]2CC[N@@H+]3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23