OC[C@@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000000642953	31/16/69/206311669	NLRXQZJJCPRATR-XFIYOXNOSA-N	0	385.21	GC	0.781	0	Anodyne	ref	GCAARN	OC[C@@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O	 
OC[C@@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000001081241	29/81/33/209298133	NLRXQZJJCPRATR-QXKUPLGCSA-N	0	385.21	GC	0.781	0	Anodyne	ref	GCAARN	OC[C@@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@H]1O	in-vitro
OC[C@@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000002126594	50/51/74/220505174	NLRXQZJJCPRATR-UVPYHEFZSA-N	0	385.21	GC	0.781	0	Anodyne	ref	GCABRN	OC[C@@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@H]1O	 
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@@H]1C(=O)O	ZINC000003831541	07/87/36/212078736	OHKOGUYZJXTSFX-MFYTUXHUSA-N	-2	384.435	GC	0.548	0	Anodyne	ref	GCAARL	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@@H]1C(=O)[O-]	in-vitro
O=C(O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccco1	ZINC000004521518	49/36/71/209493671	ZDLZKMDMBBMJLI-FDMDGMSGSA-N	-1	399.403	GC	0.337	0	Anodyne	ref	GCAARM	O=C([O-])CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccco1	 
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	ZINC000004899619	08/87/75/204088775	IAJCBRQYWHEYSN-AAEUAGOBSA-N	0	379.417	GC	0.134	0	Anodyne	ref	GCAARN	C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	 
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	ZINC000005461432	44/08/63/570440863	IAJCBRQYWHEYSN-YPMHNXCESA-N	0	379.417	GC	0.134	0	Anodyne	ref	GCABRN	C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	 
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)O)c3ccsc3)C(=O)N2[C@@H]1C(=O)O	ZINC000005765543	21/71/58/206217158	OHKOGUYZJXTSFX-FNOROQBZSA-N	-2	384.435	GC	0.548	0	Anodyne	ref	GCAARL	CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@@H]1C(=O)[O-]	in-vitro
OC[C@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000012957061	13/53/36/530135336	NLRXQZJJCPRATR-RBGFHDKUSA-N	0	385.21	GC	0.781	0	Anodyne	ref	GCAARN	OC[C@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O	in-vitro
OC[C@@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000012957067	25/01/82/221250182	NLRXQZJJCPRATR-QRJUGERDSA-N	0	385.21	GC	0.781	0	Anodyne	ref	GCAARN	OC[C@@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O	 
OC[C@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000012957072	90/25/85/530902585	NLRXQZJJCPRATR-OWYFMNJBSA-N	0	385.21	GC	0.781	0	Anodyne	ref	GCAARN	OC[C@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O	in-vitro
N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000013543753	65/43/94/570654394	IUMFVSMNETWFNX-KBPBESRZSA-N	1	391.432	GC	0.115	1	Bother	mid	GCBAMO	NC(=[NH2+])NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	 
N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000013543753	65/43/91/570654391	IUMFVSMNETWFNX-KBPBESRZSA-N	2	391.432	GC	0.115	0	Bother	ref	GCBARP	NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	 
CS(=O)(=O)c1cc(N)c2c(S(C)(=O)=O)cc(S(=O)(=O)O)cc2c1	ZINC000071404896	28/41/17/205284117	CLBPYMIBGIBGDN-UHFFFAOYSA-N	-1	379.437	GC	0.476	0	Anodyne	ref	GCABRM	CS(=O)(=O)c1cc(N)c2c(S(C)(=O)=O)cc(S(=O)(=O)[O-])cc2c1	 
CC(=O)[C@H](C(=O)N[C@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1ccccc1	ZINC000071404972	68/68/21/570686821	STLFWKVWMFPGFQ-WFGGJUAMSA-N	-1	376.434	GC	0.991	0	Anodyne	ref	GCABRM	CC(=O)[C@H](C(=O)N[C@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12)c1ccccc1	 
CC(=O)[C@@H](C(=O)N[C@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1ccccc1	ZINC000071404973	18/38/97/222183897	STLFWKVWMFPGFQ-LMOYCYGVSA-N	-1	376.434	GC	0.991	0	Anodyne	ref	GCABRM	CC(=O)[C@@H](C(=O)N[C@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12)c1ccccc1	 
CC(=O)[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1ccccc1	ZINC000071404974	68/70/22/570687022	STLFWKVWMFPGFQ-RSUWNVLCSA-N	-1	376.434	GC	0.991	0	Anodyne	ref	GCABRM	CC(=O)[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12)c1ccccc1	 
CC(=O)[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1ccccc1	ZINC000071404975	04/77/31/211047731	STLFWKVWMFPGFQ-NFFDBFGFSA-N	-1	376.434	GC	0.991	0	Anodyne	ref	GCABRM	CC(=O)[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12)c1ccccc1	 
CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1CC(=O)NC1=O	ZINC000100498254	46/01/34/222460134	KPKWYAUCEFACGX-STQMWFEESA-N	0	380.422	GC	0.993	0	Anodyne	ref	GCABRN	CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1CC(=O)NC1=O	 
CC(C)(C)OC(=O)N([C@@H](CC(=O)O)C(=O)O[C@H]1CC(=O)NC1=O)C(C)(C)C	ZINC000100499002	37/63/44/208376344	RJWYZHDRZJNCSZ-UWVGGRQHSA-N	-1	386.401	GC	0.824	0	Anodyne	ref	GCABRM	CC(C)(C)OC(=O)N([C@@H](CC(=O)[O-])C(=O)O[C@H]1CC(=O)NC1=O)C(C)(C)C	 
CC(C)(C)OC(=O)N([C@H](CC(=O)O)C(=O)O[C@H]1CC(=O)NC1=O)C(C)(C)C	ZINC000100499005	38/66/86/211386686	RJWYZHDRZJNCSZ-ZJUUUORDSA-N	-1	386.401	GC	0.824	0	Anodyne	ref	GCABRM	CC(C)(C)OC(=O)N([C@H](CC(=O)[O-])C(=O)O[C@H]1CC(=O)NC1=O)C(C)(C)C	 
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O[C@H]1CC(=O)NC1=O	ZINC000100499312	45/98/51/222459851	XOTCDWIBWFJRPL-STQMWFEESA-N	0	378.381	GC	0.786	0	Anodyne	ref	GCABRN	CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O[C@H]1CC(=O)NC1=O	 
CC(=O)Oc1ccccc1C(=O)OCCOCC(=O)OCCOCC(=O)O	ZINC000253489484	14/93/99/206149399	FJTUQERQBYBDEL-UHFFFAOYSA-N	-1	384.337	GC	0.43	0	Anodyne	ref	GCABRM	CC(=O)Oc1ccccc1C(=O)OCCOCC(=O)OCCOCC(=O)[O-]	 
CC(=O)[C@H](C(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccccc1	ZINC000263583677	95/11/36/570951136	STLFWKVWMFPGFQ-QCQGSNGOSA-N	-1	376.434	GC	0.991	0	Anodyne	ref	GCABRM	CC(=O)[C@H](C(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)[O-])c1ccccc1	 
CC(=O)[C@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccccc1	ZINC000263583678	95/09/99/570950999	STLFWKVWMFPGFQ-ZWUHOBOKSA-N	-1	376.434	GC	0.991	0	Anodyne	ref	GCABRM	CC(=O)[C@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)[O-])c1ccccc1