130005494	ZINC000272173220	mid	9.37	-10.73	0	323.44	3.617	1	2	2	Cc1cc(C2CCN(C(=O)c3ccc4c(c3)CCCC4)CC2)n[nH]1
130005495	ZINC000272178451	ref	7.6	-10.22	0	311.372	3.597	1	2	4	Cc1cc(C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)c(F)cc1F
130005496	ZINC000272179436	ref	7.22	-7.25	0	301.386	3.756	1	3	4	CC(C)C[C@H]1C[C@@H](NC(=O)c2cc3ccccc3o2)CCO1
130005497	ZINC000272176901	ref	9.68	-50.97	1	312.369	3.943	1	3	6	COc1cccc(C2([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1
130005498	ZINC000272176901	mid	8.76	-10.27	0	312.369	3.943	1	4	6	COc1cccc(C2(N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1
130005500	ZINC000272185544	ref	1.25	-13.36	0	312.322	-1.188	2	6	5	COC(=O)[C@H](CO)NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O
130005501	ZINC000272177986	ref	-2.91	-13.01	0	303.336	-0.219	2	6	7	O=S(=O)(c1ccc2c(c1)OCO2)N(CCO)CCCO
130005502	ZINC000272178428	ref	9.27	-46.77	1	320.392	3.669	1	3	4	C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)OCCO2
130005503	ZINC000272178428	mid	8.35	-9.39	0	320.392	3.669	1	4	4	C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)OCCO2
130005504	ZINC000272173080	ref	-2.01	-16.31	0	302.356	-1.121	2	5	5	C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)C(N)=O
130005505	ZINC000272179963	ref	6.98	-10.98	0	307.344	3.91	1	4	6	Cc1ncc([C@H](C)Nc2ccccc2OCC(F)F)c(C)n1
130005506	ZINC000272179545	ref	8.88	-8.53	0	315.417	3.731	2	4	5	CCC(CC)[C@H]1C[C@H](Nc2nc3ccccc3c(=O)[nH]2)CCO1
130005507	ZINC000272179771	ref	8.81	-14.04	0	323.392	3.519	1	3	2	O=C1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1O
130005508	ZINC000272179771	mid	9.21	-56.37	-1	323.392	3.519	0	3	2	O=C1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-]
130005509	ZINC000272181122	ref	8.44	-8.8	0	321.436	3.813	1	2	5	CC(C)C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccc(F)cc2)CCO1
130005510	ZINC000272175871	ref	5.88	-10.0	0	302.374	3.589	1	5	6	COc1ccc(N[C@@H](C)c2cnccc2C)c(OC)c1OC
130005511	ZINC000272181127	ref	8.83	-8.56	0	321.436	3.813	1	2	5	CC(C)C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc(F)cc2)CCO1
130005512	ZINC000272176753	ref	4.67	-18.09	0	323.393	-0.197	1	6	2	Cn1c(=O)ccn(CC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1=O
130005516	ZINC000272179906	ref	6.44	-11.33	0	307.397	4.835	1	4	4	Cc1ccncc1[C@@H](C)Nc1cccc(-c2nc(C)c(C)o2)c1
325425189	ZINC000548056891	ref	5.05	-10.65	0	211.305	1.718	1	2	3	CC1(C)CC(CNC(=O)[C@H]2CCCO2)C1
130005519	ZINC000272183526	ref	7.88	-9.88	0	302.443	3.924	1	4	6	OCc1ccc(CSCc2ccn(C3CCCC3)n2)cc1
130005520	ZINC000272184160	ref	10.02	-9.26	0	323.436	3.705	1	2	3	C[C@H](O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1
130005521	ZINC000272179442	ref	7.55	-7.01	0	301.386	3.756	1	3	4	CC(C)C[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3o2)CCO1
130005522	ZINC000272184352	ref	7.68	-9.37	0	312.413	3.558	1	3	4	CC(C)C[C@H]1C[C@H](NC(=O)c2cncc3ccccc23)CCO1
130005523	ZINC000272178354	ref	8.33	-8.16	0	307.459	3.875	1	3	5	CC(C)Sc1ccccc1C(=O)N[C@@H](C)[C@@H]1CCCCO1
130005524	ZINC000272174865	ref	6.55	-6.15	0	302.201	3.681	1	2	3	C[C@H](NC(=O)c1cc(Cl)ccc1Cl)[C@H]1CCCCO1
130005526	ZINC000272185145	ref	7.5	-9.94	0	303.427	3.518	1	3	4	C[C@@H](NC(=O)Cc1csc2ccccc12)[C@@H]1CCCCO1
130005528	ZINC000272181400	ref	9.73	-39.64	1	311.45	4.511	1	2	4	COc1cccc(C2([NH2+][C@H]3CCSc4ccccc43)CC2)c1
130005529	ZINC000272181400	mid	9.04	-5.5	0	311.45	4.511	1	3	4	COc1cccc(C2(N[C@H]3CCSc4ccccc43)CC2)c1
130005530	ZINC000272177976	ref	3.2	-13.0	0	321.312	-0.146	2	6	4	O=C(Nn1cn[nH]c1=O)[C@@H](c1ccccc1F)N1CCOCC1
130005531	ZINC000272182929	ref	0.15	-10.27	0	308.334	-0.213	2	6	5	COC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCOCC2)cc1
130005532	ZINC000366743541	ref	6.49	-14.04	0	288.282	2.244	2	4	3	O=C(Nc1cccc(F)c1-c1nc[nH]n1)C1=COCCC1
130005533	ZINC000272172970	ref	8.18	-7.19	0	307.459	3.56	1	3	4	CC(C)C[C@H]1C[C@H](NC(=O)c2cc3c(s2)CCC3)CCO1
130005534	ZINC000272181772	ref	-2.03	-14.78	0	315.395	-0.117	3	5	8	CC(C)[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cccnc1
130005535	ZINC000272181304	ref	0.84	-18.38	0	310.306	-0.467	2	6	4	COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](C)NC(=O)c1ccoc1
130005537	ZINC000272182198	ref	6.48	-6.85	0	317.364	3.662	1	4	3	Cc1ncc(C(=O)Nc2ccc(F)cc2OC(C)(C)C)c(C)n1
130005538	ZINC000272181116	ref	8.76	-8.08	0	303.446	3.674	1	2	5	CC(C)C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2)CCO1
130005539	ZINC000341735890	ref	-0.71	-19.28	0	268.338	0.375	3	4	6	CCSc1cccc(C(=O)N[C@H](CO)C(N)=O)c1
130005540	ZINC000272173956	ref	2.7	-13.61	0	311.338	-0.583	1	5	4	CN(C[C@@H]1CCCC[C@@H]1O)C(=O)CN1C(=O)C(=O)N(C)C1=O
130005541	ZINC000272184429	ref	7.49	-11.75	0	301.386	3.756	1	3	4	CC(C)C[C@@H]1C[C@@H](NC(=O)c2coc3ccccc23)CCO1
130005545	ZINC000341736220	ref	6.23	-13.78	0	280.331	1.824	1	4	4	Cc1cc(CNC(=O)Cc2ccc(C#N)cc2)nc(C)n1
130005547	ZINC000341736166	ref	-0.61	-10.13	0	256.346	0.555	3	3	7	CC[C@H](CC1CCCC1)C(=O)N[C@H](CO)C(N)=O
130005548	ZINC000341736484	ref	2.15	-11.15	0	263.359	0.414	2	5	7	COC(=O)C[C@H](C)C(=O)N[C@H](C)[C@H](CO)SC
130005549	ZINC000341736737	ref	-2.91	-24.11	0	290.283	-1.697	3	7	6	NC(=O)[C@H](CO)NC(=O)Cn1nnc(-c2ccccc2)n1
130005551	ZINC000341736390	ref	1.22	-12.43	0	290.363	1.176	3	3	7	CC(C)c1ccc(/C=C/CC(=O)N[C@H](CO)C(N)=O)cc1
130005553	ZINC000341735879	ref	2.37	-48.08	-1	269.308	1.657	0	5	4	Cc1n[n-]c(=NCc2ccc(Cn3ccnc3)cc2)o1
130005554	ZINC000341735879	low	2.88	-61.66	0	269.308	1.657	0	4	4	Cc1n[n-]c(=NCc2ccc(Cn3cc[nH+]c3)cc2)o1
130005555	ZINC000341736538	ref	-3.94	-11.7	0	266.297	-1.057	4	4	6	C[C@](O)(Cc1ccccc1)C(=O)N[C@@H](CO)C(N)=O
130005556	ZINC000341736852	ref	1.22	-11.33	0	292.379	0.951	3	3	7	CC(C)Cc1ccc([C@H](C)C(=O)N[C@H](CO)C(N)=O)cc1
130005557	ZINC000341735607	ref	-1.41	-15.22	0	256.689	0.224	3	3	4	Cc1cc(Cl)ccc1C(=O)N[C@H](CO)C(N)=O
130005558	ZINC000341736512	ref	3.69	-12.2	0	280.255	1.401	2	4	4	O=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(F)cc([N+](=O)[O-])c1
130005559	ZINC000341736475	ref	4.49	-9.85	0	270.292	1.797	1	5	3	Cc1cc(CNC(=O)c2cc(C#N)oc2C)nc(C)n1
130005560	ZINC000341736352	ref	-2.13	-13.71	0	260.652	0.055	3	3	4	NC(=O)[C@@H](CO)NC(=O)c1cccc(F)c1Cl
130005561	ZINC000341736470	ref	8.3	-10.77	0	297.402	2.984	1	3	5	C[C@H]1CCC[C@H]1C(=O)NCc1ccn(Cc2ccccc2)n1
130005562	ZINC000341736435	ref	2.32	-13.61	0	292.335	1.085	3	4	4	COC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2C=C[C@@H](CO)C2)c1C
130005563	ZINC000341736360	ref	5.92	-15.24	0	270.373	1.127	0	3	6	CCO[C@H](CC(=O)N(C)[C@H]1CCN(C)C1=O)C(C)C
130005564	ZINC000341735255	ref	3.36	-11.73	0	278.377	1.615	2	4	5	C[C@H](Sc1ccccn1)C(=O)N[C@H]1C=C[C@@H](CO)C1
130005565	ZINC000341735384	ref	2.79	-18.57	0	273.292	0.567	1	4	2	CN1CC[C@@H](N(C)C(=O)c2ccc(C#N)c(O)c2)C1=O
130005566	ZINC000096274541	ref	6.82	-17.25	0	471.598	2.496	1	5	6	Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)CC(C)C)CC3)c1
130005567	ZINC000341735384	mid	3.56	-45.22	-1	273.292	0.567	0	4	2	CN1CC[C@@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)C1=O
130005572	ZINC000341735793	ref	4.48	-11.34	0	277.368	1.771	1	4	4	Cc1cc(CNC(=O)[C@H]2CCO[C@H]2C(C)C)nc(C)n1
130005574	ZINC000341735866	ref	5.83	-10.44	0	295.323	3.527	1	5	3	N#Cc1ccc(NC(=O)c2csc(-c3ccoc3)n2)cc1
130005575	ZINC000341736205	ref	1.69	-10.04	0	275.312	1.823	1	6	4	COc1ncc(C)cc1NC(=O)c1cn(C(C)C)nn1
130005576	ZINC000341736387	ref	6.16	-8.47	0	263.385	2.782	1	3	6	Cc1cc(CNC(=O)C[C@@H](C)CC(C)C)nc(C)n1
130005580	ZINC000341736506	ref	9.72	-7.84	0	257.377	3.916	0	1	2	C[C@H]1c2ccccc2CN1C(=O)CC1CC(C)(C)C1
130005581	ZINC000096274543	ref	6.88	-18.67	0	471.598	2.496	1	5	6	Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)CC(C)C)CC3)c1
130005582	ZINC000341736741	ref	7.13	-15.15	0	266.385	1.892	0	2	3	C[C@@H]1CCC[C@H](CC(=O)N(C)[C@@H]2CCN(C)C2=O)C1
130005583	ZINC000096274535	ref	7.57	-20.72	0	491.519	3.209	1	5	5	O=C(NCc1ccco1)[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1ccccc1
130005584	ZINC000341735872	ref	10.44	-7.54	0	271.32	1.942	0	5	5	COC(=O)c1cnc(N(C)CCc2ccccc2)nc1
130005585	ZINC000341736546	ref	-3.97	-11.73	0	266.297	-1.057	4	4	6	C[C@@](O)(Cc1ccccc1)C(=O)N[C@H](CO)C(N)=O
130005587	ZINC000341736071	ref	6.74	-24.12	0	296.367	0.799	0	4	5	CCOC(=O)C1(CC(=O)N(C)[C@@H]2CCN(C)C2=O)CCC1
130005588	ZINC000096274540	ref	6.75	-15.72	0	471.598	2.496	1	5	6	Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)CC(C)C)CC3)c1
130005589	ZINC000341736384	ref	0.0	-22.82	0	275.308	0.237	3	4	5	CCn1cc(C(=O)N[C@H](CO)C(N)=O)c2ccccc21
130005590	ZINC000096274536	ref	7.74	-17.67	0	491.519	3.209	1	5	5	O=C(NCc1ccco1)[C@@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)N1C(=O)c1ccccc1
130005591	ZINC000341736361	ref	5.83	-13.88	0	270.373	1.127	0	3	6	CCO[C@@H](CC(=O)N(C)[C@H]1CCN(C)C1=O)C(C)C
130005592	ZINC000341735241	ref	3.66	-13.67	0	267.275	1.56	2	2	4	O=C(Cc1cccc(F)c1F)N[C@H]1C=C[C@H](CO)C1
130005593	ZINC000096274539	ref	4.73	-16.5	0	499.539	2.07	1	6	7	COCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(OC)cc3)CC2)N1C(=O)c1ccc(F)cc1
130005594	ZINC000341736348	ref	6.17	-17.04	0	290.363	1.696	0	3	4	CCOc1cc(C(=O)N(C)[C@@H]2CCN(C)C2=O)ccc1C
130005595	ZINC000341736837	ref	2.73	-14.21	0	288.347	1.055	2	3	4	CN(C)C(=O)c1ccc(C(=O)N[C@H]2C=C[C@H](CO)C2)cc1
130120894	ZINC000273429650	low	6.12	-9.09	0	301.346	3.54	2	5	5	C[C@H](Nc1ccc(N(C)C)cc1)c1cc([N+](=O)[O-])ccc1O
130005596	ZINC000096274524	ref	8.26	-18.33	0	483.996	3.728	1	4	5	CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1ccccc1
130005597	ZINC000341736766	ref	2.55	-13.02	0	274.328	0.541	2	5	3	Cc1cc(C#N)nc(N2CCC[C@@H](CNC(N)=O)C2)n1
130005598	ZINC000096274509	ref	5.65	-20.1	0	494.592	2.612	1	6	5	COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)C(C)(C)C)CC3)cc1
130005599	ZINC000341736875	ref	5.74	-12.68	0	295.379	1.819	1	4	5	COC(=O)CC1(CNC(=O)[C@H]2CC=CCC2)CCOCC1
130005600	ZINC000341736482	ref	3.14	-7.79	0	263.359	0.414	2	5	7	COC(=O)C[C@H](C)C(=O)N[C@H](C)[C@@H](CO)SC
130005601	ZINC000096274547	ref	7.16	-21.59	0	462.55	2.276	1	5	5	Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)C2CC2)CC3)c1
130005603	ZINC000096274496	ref	5.0	-17.95	0	466.538	1.976	1	6	6	CCC(=O)N1CCC2(CC1)OC[C@@H](C(=O)NCc1cccnc1)N2C(=O)c1ccc(OC)cc1
130005604	ZINC000341735234	ref	3.66	-14.67	0	267.275	1.56	2	2	4	O=C(Cc1cccc(F)c1F)N[C@@H]1C=C[C@@H](CO)C1
130005605	ZINC000341736851	ref	1.22	-11.2	0	292.379	0.951	3	3	7	CC(C)Cc1ccc([C@@H](C)C(=O)N[C@H](CO)C(N)=O)cc1
130005606	ZINC000096274546	ref	7.04	-19.04	0	462.55	2.276	1	5	5	Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)C2CC2)CC3)c1
130005609	ZINC000341735696	ref	-1.5	-19.16	0	280.255	0.077	3	4	5	NC(=O)[C@@H](CO)NC(=O)Cc1coc2cc(F)ccc12
130005611	ZINC000096274508	ref	5.57	-17.33	0	494.592	2.612	1	6	5	COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)C(C)(C)C)CC3)cc1
130005612	ZINC000341736386	ref	6.14	-8.44	0	263.385	2.782	1	3	6	Cc1cc(CNC(=O)C[C@H](C)CC(C)C)nc(C)n1
130005613	ZINC000096274497	ref	4.86	-19.98	0	466.538	1.976	1	6	6	CCC(=O)N1CCC2(CC1)OC[C@H](C(=O)NCc1cccnc1)N2C(=O)c1ccc(OC)cc1
130005614	ZINC000341736560	ref	8.58	-14.3	0	294.358	2.636	1	4	4	Cc1ccc(C#N)c(Nc2ccc(CC(=O)N(C)C)cc2)n1
130005616	ZINC000341736544	ref	-3.94	-11.43	0	266.297	-1.057	4	4	6	C[C@](O)(Cc1ccccc1)C(=O)N[C@H](CO)C(N)=O
130005617	ZINC000096274534	ref	7.73	-20.46	0	491.519	3.209	1	5	5	O=C(NCc1ccco1)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1ccccc1
325425190	ZINC000135738904	ref	4.82	-13.05	0	239.344	2.553	2	3	3	CCCNC(=O)Nc1nc2c(s1)CCCC2
130005618	ZINC000341735928	ref	5.03	-14.84	0	280.378	2.606	1	6	4	CCSc1nnc(NC(=O)c2cccnc2C)s1
130005619	ZINC000096274537	ref	7.5	-17.18	0	491.519	3.209	1	5	5	O=C(NCc1ccco1)[C@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)N1C(=O)c1ccccc1