smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1	ZINC000179643808	368346819	/nfs/dbraw/zinc/34/68/19/368346819.db2.gz	LWLDCHSRYOGSDJ-LLVKDONJSA-N	1	2	283.755	2.431	10	10		CECELO
COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1	ZINC000179643808	368346822	/nfs/dbraw/zinc/34/68/22/368346822.db2.gz	LWLDCHSRYOGSDJ-LLVKDONJSA-N	1	2	283.755	2.431	10	10		CECELO
COCCN1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1C	ZINC000120810072	647542687	/nfs/dbraw/zinc/54/26/87/647542687.db2.gz	CTQIVQRIEOOYNN-LBPRGKRZSA-N	1	2	298.814	2.198	10	10		CECELO
COCCN1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1C	ZINC000120810072	647542690	/nfs/dbraw/zinc/54/26/90/647542690.db2.gz	CTQIVQRIEOOYNN-LBPRGKRZSA-N	1	2	298.814	2.198	10	10		CECELO
[NH3+][C@H](CF)c1c(O)c(Br)ccc1F	ZINC000306852768	394519192	/nfs/dbraw/zinc/51/91/92/394519192.db2.gz	SGWDAYCQDYMLFY-ZCFIWIBFSA-N	1	2	252.058	2.263	10	10		CECELO
CCCOc1cc(N(CCC)CCO)ccc1[NH3+]	ZINC000111051415	186348740	/nfs/dbraw/zinc/34/87/40/186348740.db2.gz	MXOGRESKGPYEPV-UHFFFAOYSA-N	1	2	252.358	2.266	10	10		CECELO
CC(=O)c1cc(F)cc(C[N@H+]2[C@H](C)COC[C@@H]2C)c1O	ZINC000079443709	518287744	/nfs/dbraw/zinc/28/77/44/518287744.db2.gz	FXYZEINEVOYYTR-AOOOYVTPSA-N	1	2	281.327	2.343	10	10		CECELO
CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)COC[C@@H]2C)c1O	ZINC000079443709	518287752	/nfs/dbraw/zinc/28/77/52/518287752.db2.gz	FXYZEINEVOYYTR-AOOOYVTPSA-N	1	2	281.327	2.343	10	10		CECELO
CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O	ZINC000049370018	521210833	/nfs/dbraw/zinc/21/08/33/521210833.db2.gz	BLUSDPWHGDUJQE-QWRGUYRKSA-N	1	2	251.326	2.303	10	10		CECELO
COCC[N@@H+]1CCN(Cc2cccc(Cl)c2O)C[C@H]1C	ZINC000180086330	368366393	/nfs/dbraw/zinc/36/63/93/368366393.db2.gz	BSHOOIXGRCQTEV-GFCCVEGCSA-N	1	2	298.814	2.198	10	10		CECELO
COCC[N@H+]1CCN(Cc2cccc(Cl)c2O)C[C@H]1C	ZINC000180086330	368366399	/nfs/dbraw/zinc/36/63/99/368366399.db2.gz	BSHOOIXGRCQTEV-GFCCVEGCSA-N	1	2	298.814	2.198	10	10		CECELO
COCCN1CC[N@H+](Cc2cccc(Cl)c2O)C[C@H]1C	ZINC000180086330	368366404	/nfs/dbraw/zinc/36/64/04/368366404.db2.gz	BSHOOIXGRCQTEV-GFCCVEGCSA-N	1	2	298.814	2.198	10	10		CECELO
COCCN1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1C	ZINC000180086330	368366406	/nfs/dbraw/zinc/36/64/06/368366406.db2.gz	BSHOOIXGRCQTEV-GFCCVEGCSA-N	1	2	298.814	2.198	10	10		CECELO
C[N@H+](CCNCc1cccc(F)c1O)C1CCCC1	ZINC000158767716	395053717	/nfs/dbraw/zinc/05/37/17/395053717.db2.gz	PYHNLGWNFBCADF-UHFFFAOYSA-N	1	2	266.360	2.495	10	10		CECELO
C[N@@H+](CCNCc1cccc(F)c1O)C1CCCC1	ZINC000158767716	395053719	/nfs/dbraw/zinc/05/37/19/395053719.db2.gz	PYHNLGWNFBCADF-UHFFFAOYSA-N	1	2	266.360	2.495	10	10		CECELO
COc1ccc([N@H+](C)CCCn2ccc(N)n2)cc1	ZINC000071352420	176135840	/nfs/dbraw/zinc/13/58/40/176135840.db2.gz	JRFQBLBDTFNNLE-UHFFFAOYSA-N	1	2	260.341	2.000	10	10		CECELO
COc1ccc([N@@H+](C)CCCn2ccc(N)n2)cc1	ZINC000071352420	176135842	/nfs/dbraw/zinc/13/58/42/176135842.db2.gz	JRFQBLBDTFNNLE-UHFFFAOYSA-N	1	2	260.341	2.000	10	10		CECELO
CCOC(=O)[C@@H](C)[NH2+][C@H](CC)c1ccccc1O	ZINC000049368312	521029330	/nfs/dbraw/zinc/02/93/30/521029330.db2.gz	IGUQKAGGNXUOPQ-ZYHUDNBSSA-N	1	2	251.326	2.385	10	10		CECELO
CCOC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O	ZINC000049370433	521212569	/nfs/dbraw/zinc/21/25/69/521212569.db2.gz	CAAFAAGYSBXPEA-MNOVXSKESA-N	1	2	251.326	2.303	10	10		CECELO
CCCOc1cc(N2CCn3cc[nH+]c3C2)ccc1N	ZINC000111056120	186349375	/nfs/dbraw/zinc/34/93/75/186349375.db2.gz	KJMKIFLJHVKPSU-UHFFFAOYSA-N	1	2	272.352	2.274	10	10		CECELO
CCOC(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O	ZINC000049370026	521212232	/nfs/dbraw/zinc/21/22/32/521212232.db2.gz	BLUSDPWHGDUJQE-MNOVXSKESA-N	1	2	251.326	2.303	10	10		CECELO
CCOC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O	ZINC000049370426	521025289	/nfs/dbraw/zinc/02/52/89/521025289.db2.gz	CAAFAAGYSBXPEA-WDEREUQCSA-N	1	2	251.326	2.303	10	10		CECELO
COC(=O)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C(C)C	ZINC000062745798	523638431	/nfs/dbraw/zinc/63/84/31/523638431.db2.gz	ANIMFRRYWXZFOI-ZANVPECISA-N	1	2	269.316	2.380	10	10		CECELO
C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(F)cc1O	ZINC000185662713	262064696	/nfs/dbraw/zinc/06/46/96/262064696.db2.gz	RKDVTOLVZTYJPZ-SKDRFNHKSA-N	1	2	276.315	2.309	10	10		CECELO
COC(=O)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C(C)C	ZINC000062745799	523930809	/nfs/dbraw/zinc/93/08/09/523930809.db2.gz	ANIMFRRYWXZFOI-TVQRCGJNSA-N	1	2	269.316	2.380	10	10		CECELO
COCCN1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1C	ZINC000120809905	647543213	/nfs/dbraw/zinc/54/32/13/647543213.db2.gz	CTQIVQRIEOOYNN-GFCCVEGCSA-N	1	2	298.814	2.198	10	10		CECELO
COCCN1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1C	ZINC000120809905	647543219	/nfs/dbraw/zinc/54/32/19/647543219.db2.gz	CTQIVQRIEOOYNN-GFCCVEGCSA-N	1	2	298.814	2.198	10	10		CECELO
C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(F)cc1O	ZINC000185662695	262065528	/nfs/dbraw/zinc/06/55/28/262065528.db2.gz	RKDVTOLVZTYJPZ-CABZTGNLSA-N	1	2	276.315	2.309	10	10		CECELO
CC(=O)c1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000021953229	171340452	/nfs/dbraw/zinc/34/04/52/171340452.db2.gz	VLQWUKLMIXPSJV-PHIMTYICSA-N	1	2	263.337	2.204	10	10		CECELO
CC(=O)c1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000021953229	171340453	/nfs/dbraw/zinc/34/04/53/171340453.db2.gz	VLQWUKLMIXPSJV-PHIMTYICSA-N	1	2	263.337	2.204	10	10		CECELO
COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O	ZINC000184677112	262025904	/nfs/dbraw/zinc/02/59/04/262025904.db2.gz	ICSANPPJAMARJO-LLVKDONJSA-N	1	2	299.754	2.192	10	10		CECELO
COC(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(OC)c1O	ZINC000184677112	262025906	/nfs/dbraw/zinc/02/59/06/262025906.db2.gz	ICSANPPJAMARJO-LLVKDONJSA-N	1	2	299.754	2.192	10	10		CECELO
[NH3+][C@H](CCO)c1cc(Cl)cc(Br)c1O	ZINC000044232959	362150052	/nfs/dbraw/zinc/15/00/52/362150052.db2.gz	XYRLYPDQPFUYSM-MRVPVSSYSA-N	1	2	280.549	2.190	10	10		CECELO
[NH3+][C@H](CF)c1cc(F)cc(Br)c1O	ZINC000307176167	344720856	/nfs/dbraw/zinc/72/08/56/344720856.db2.gz	XRWCCNKCEZHXLS-SSDOTTSWSA-N	1	2	252.058	2.263	10	10		CECELO
CN(C)C1(C[N@@H+](C)Cc2cccc(F)c2O)CCC1	ZINC000097934080	394700197	/nfs/dbraw/zinc/70/01/97/394700197.db2.gz	WIXQTILPWJYCPB-UHFFFAOYSA-N	1	2	266.360	2.447	10	10		CECELO
Cc1noc(CC[NH2+]Cc2cccc(Cl)c2O)n1	ZINC000224800484	329244787	/nfs/dbraw/zinc/24/47/87/329244787.db2.gz	VMKFZVUMOZWVEX-UHFFFAOYSA-N	1	2	267.716	2.069	10	10		CECELO
CC(=O)c1cc(F)cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1O	ZINC000037322602	260089383	/nfs/dbraw/zinc/08/93/83/260089383.db2.gz	BGPVGPVXGAOJNE-NXEZZACHSA-N	1	2	281.327	2.343	10	10		CECELO
CC(=O)c1cc(F)cc(C[NH+]2[C@@H](C)COC[C@@H]2C)c1O	ZINC000079443711	277106001	/nfs/dbraw/zinc/10/60/01/277106001.db2.gz	FXYZEINEVOYYTR-UWVGGRQHSA-N	1	2	281.327	2.343	10	10		CECELO
Cc1noc(C[NH2+]Cc2ccc(N3CCCC3)cc2)n1	ZINC000038034092	174032069	/nfs/dbraw/zinc/03/20/69/174032069.db2.gz	VLROQUNJRRRNCM-UHFFFAOYSA-N	1	2	272.352	2.268	10	10		CECELO
COC(=O)[C@@](C)([NH2+]CC1CC1)c1ccc(N(C)C)cc1	ZINC000037967582	260122252	/nfs/dbraw/zinc/12/22/52/260122252.db2.gz	WAIIMFCVNNIJGO-INIZCTEOSA-N	1	2	276.380	2.140	10	10		CECELO
COC(=O)[C@](C)([NH2+]CC1CC1)c1ccc(N(C)C)cc1	ZINC000037967581	260122386	/nfs/dbraw/zinc/12/23/86/260122386.db2.gz	WAIIMFCVNNIJGO-MRXNPFEDSA-N	1	2	276.380	2.140	10	10		CECELO
Oc1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@H](O)C1	ZINC000127875044	651328371	/nfs/dbraw/zinc/32/83/71/651328371.db2.gz	HOLXHBFDZHNINE-MNOVXSKESA-N	1	2	255.745	2.439	10	10		CECELO
CCCOc1cc(N2CCCOCC2)ccc1[NH3+]	ZINC000104245171	185942331	/nfs/dbraw/zinc/94/23/31/185942331.db2.gz	AZKXHQKGLVDNBT-UHFFFAOYSA-N	1	2	250.342	2.284	10	10		CECELO
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](c2ccc(N)cc2)C1	ZINC000032121917	343411130	/nfs/dbraw/zinc/41/11/30/343411130.db2.gz	KEZAAKFYQNRKRS-CYBMUJFWSA-N	1	2	275.396	2.354	10	10		CECELO
CCN(CC)C(=O)[C@@H]1CCC[N@H+](c2ccc(N)cc2)C1	ZINC000032121917	343411131	/nfs/dbraw/zinc/41/11/31/343411131.db2.gz	KEZAAKFYQNRKRS-CYBMUJFWSA-N	1	2	275.396	2.354	10	10		CECELO
Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1	ZINC000180067114	368366950	/nfs/dbraw/zinc/36/69/50/368366950.db2.gz	JRPWTFSYDNIDGD-GFCCVEGCSA-N	1	2	292.770	2.474	10	10		CECELO
Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H](n2cncn2)C1	ZINC000180067114	368366955	/nfs/dbraw/zinc/36/69/55/368366955.db2.gz	JRPWTFSYDNIDGD-GFCCVEGCSA-N	1	2	292.770	2.474	10	10		CECELO
[NH3+][C@@H](CF)c1ccc(F)c(Br)c1O	ZINC000306794019	394517773	/nfs/dbraw/zinc/51/77/73/394517773.db2.gz	HFUMEYPNSHKNKN-LURJTMIESA-N	1	2	252.058	2.263	10	10		CECELO
C[N@H+](CC(=O)Nc1ccc(N)cc1)Cc1cccs1	ZINC000035716709	172370009	/nfs/dbraw/zinc/37/00/09/172370009.db2.gz	WNZGFGRIJUEZDA-UHFFFAOYSA-N	1	2	275.377	2.401	10	10		CECELO
C[N@@H+](CC(=O)Nc1ccc(N)cc1)Cc1cccs1	ZINC000035716709	172370011	/nfs/dbraw/zinc/37/00/11/172370011.db2.gz	WNZGFGRIJUEZDA-UHFFFAOYSA-N	1	2	275.377	2.401	10	10		CECELO
CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(=O)OC	ZINC000083384974	178391699	/nfs/dbraw/zinc/39/16/99/178391699.db2.gz	VTBPDYGWFSFRLB-LBPRGKRZSA-N	1	2	251.326	2.045	10	10		CECELO
CCOC(=O)N1CCC([NH2+]c2ccc(N)cc2)CC1	ZINC000034939635	343421479	/nfs/dbraw/zinc/42/14/79/343421479.db2.gz	ITYFVFIVVNRBDL-UHFFFAOYSA-N	1	2	263.341	2.302	10	10		CECELO
CCCOc1cc([N@H+](C)CC2CC(O)C2)ccc1N	ZINC000091450886	180159261	/nfs/dbraw/zinc/15/92/61/180159261.db2.gz	LPHPPQRGXAFMIQ-UHFFFAOYSA-N	1	2	264.369	2.265	10	10		CECELO
CCCOc1cc([N@@H+](C)CC2CC(O)C2)ccc1N	ZINC000091450886	180159262	/nfs/dbraw/zinc/15/92/62/180159262.db2.gz	LPHPPQRGXAFMIQ-UHFFFAOYSA-N	1	2	264.369	2.265	10	10		CECELO
CCCCN(CC(N)=O)c1ccc([NH3+])c(OCCC)c1	ZINC000111053826	186348198	/nfs/dbraw/zinc/34/81/98/186348198.db2.gz	LGUICTOJUCVYOF-UHFFFAOYSA-N	1	2	279.384	2.149	10	10		CECELO
C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1[NH3+]	ZINC000235344891	625331907	/nfs/dbraw/zinc/33/19/07/625331907.db2.gz	VFWXGNAVIWRUAS-HQJQHLMTSA-N	1	2	275.179	2.478	10	10		CECELO
COCC[N@@H+]1CCN(Cc2cccc(Cl)c2O)C[C@@H]1C	ZINC000180086345	368366862	/nfs/dbraw/zinc/36/68/62/368366862.db2.gz	BSHOOIXGRCQTEV-LBPRGKRZSA-N	1	2	298.814	2.198	10	10		CECELO
COCC[N@H+]1CCN(Cc2cccc(Cl)c2O)C[C@@H]1C	ZINC000180086345	368366867	/nfs/dbraw/zinc/36/68/67/368366867.db2.gz	BSHOOIXGRCQTEV-LBPRGKRZSA-N	1	2	298.814	2.198	10	10		CECELO
COCCN1CC[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1C	ZINC000180086345	368366873	/nfs/dbraw/zinc/36/68/73/368366873.db2.gz	BSHOOIXGRCQTEV-LBPRGKRZSA-N	1	2	298.814	2.198	10	10		CECELO
COCCN1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1C	ZINC000180086345	368366877	/nfs/dbraw/zinc/36/68/77/368366877.db2.gz	BSHOOIXGRCQTEV-LBPRGKRZSA-N	1	2	298.814	2.198	10	10		CECELO
Cc1cnn(CC[NH2+]Cc2cccc(Cl)c2O)c1	ZINC000224792364	329246378	/nfs/dbraw/zinc/24/63/78/329246378.db2.gz	TYTUHWOZQKEEQP-UHFFFAOYSA-N	1	2	265.744	2.340	10	10		CECELO
CC(=O)c1ccc(O)c(C[N@H+]2C[C@@H](C)OC[C@H]2C)c1	ZINC000037312836	173114744	/nfs/dbraw/zinc/11/47/44/173114744.db2.gz	OJJKVDSDEZDKHQ-GHMZBOCLSA-N	1	2	263.337	2.204	10	10		CECELO
CC(=O)c1ccc(O)c(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c1	ZINC000037312836	173114746	/nfs/dbraw/zinc/11/47/46/173114746.db2.gz	OJJKVDSDEZDKHQ-GHMZBOCLSA-N	1	2	263.337	2.204	10	10		CECELO
CC(=O)c1ccc(O)c(C[N@H+]2C[C@H](C)OC[C@H]2C)c1	ZINC000037312837	173115021	/nfs/dbraw/zinc/11/50/21/173115021.db2.gz	OJJKVDSDEZDKHQ-MNOVXSKESA-N	1	2	263.337	2.204	10	10		CECELO
CC(=O)c1ccc(O)c(C[N@@H+]2C[C@H](C)OC[C@H]2C)c1	ZINC000037312837	173115022	/nfs/dbraw/zinc/11/50/22/173115022.db2.gz	OJJKVDSDEZDKHQ-MNOVXSKESA-N	1	2	263.337	2.204	10	10		CECELO
CCOC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O	ZINC000049370014	521025709	/nfs/dbraw/zinc/02/57/09/521025709.db2.gz	BLUSDPWHGDUJQE-WDEREUQCSA-N	1	2	251.326	2.303	10	10		CECELO
Oc1c(F)cccc1CN[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000158703004	395052070	/nfs/dbraw/zinc/05/20/70/395052070.db2.gz	RVVYAHCBZGUZJU-UONOGXRCSA-N	1	2	264.344	2.248	10	10		CECELO
Oc1c(F)cccc1CN[C@H]1CC[N@H+]2CCCC[C@H]12	ZINC000158703004	395052074	/nfs/dbraw/zinc/05/20/74/395052074.db2.gz	RVVYAHCBZGUZJU-UONOGXRCSA-N	1	2	264.344	2.248	10	10		CECELO
CC(=O)c1cc(F)cc(C[NH+]2[C@H](C)COC[C@H]2C)c1O	ZINC000079443713	277106032	/nfs/dbraw/zinc/10/60/32/277106032.db2.gz	FXYZEINEVOYYTR-NXEZZACHSA-N	1	2	281.327	2.343	10	10		CECELO
CCOC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O	ZINC000049370431	521029513	/nfs/dbraw/zinc/02/95/13/521029513.db2.gz	CAAFAAGYSBXPEA-GHMZBOCLSA-N	1	2	251.326	2.303	10	10		CECELO
Oc1c(F)cccc1CN[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000158702875	395052434	/nfs/dbraw/zinc/05/24/34/395052434.db2.gz	RVVYAHCBZGUZJU-ZIAGYGMSSA-N	1	2	264.344	2.248	10	10		CECELO
Oc1c(F)cccc1CN[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000158702875	395052437	/nfs/dbraw/zinc/05/24/37/395052437.db2.gz	RVVYAHCBZGUZJU-ZIAGYGMSSA-N	1	2	264.344	2.248	10	10		CECELO
C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2[O-])CC[N@@H+]1C	ZINC000158824206	629234193	/nfs/dbraw/zinc/23/41/93/629234193.db2.gz	FGVLUBRCPCCOCP-ZYHUDNBSSA-N	1	2	252.333	2.104	10	10		CECELO
C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2[O-])CC[N@H+]1C	ZINC000158824206	629234196	/nfs/dbraw/zinc/23/41/96/629234196.db2.gz	FGVLUBRCPCCOCP-ZYHUDNBSSA-N	1	2	252.333	2.104	10	10		CECELO
Oc1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@@H](O)C1	ZINC000127875470	651328375	/nfs/dbraw/zinc/32/83/75/651328375.db2.gz	HOLXHBFDZHNINE-GHMZBOCLSA-N	1	2	255.745	2.439	10	10		CECELO
CN(C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1O	ZINC000021964767	171343600	/nfs/dbraw/zinc/34/36/00/171343600.db2.gz	XPXXPSNLHLTDKL-UHFFFAOYSA-N	1	2	263.168	2.350	10	10		CECELO
CC[NH2+][C@](C)(C(=O)OCC)c1ccc(N(C)C)cc1	ZINC000037902574	173833511	/nfs/dbraw/zinc/83/35/11/173833511.db2.gz	LMCFPYGKSSFOIV-HNNXBMFYSA-N	1	2	264.369	2.140	10	10		CECELO
[NH3+][C@H](CF)c1ccc(F)c(Br)c1O	ZINC000306940488	344718968	/nfs/dbraw/zinc/71/89/68/344718968.db2.gz	HFUMEYPNSHKNKN-ZCFIWIBFSA-N	1	2	252.058	2.263	10	10		CECELO
CCCOc1cc(N(CCC)CC(=O)N(C)C)ccc1[NH3+]	ZINC000111053425	186348136	/nfs/dbraw/zinc/34/81/36/186348136.db2.gz	RVMZMABZLPJYBH-UHFFFAOYSA-N	1	2	293.411	2.362	10	10		CECELO
Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCn2ncnc21	ZINC000191298717	329412004	/nfs/dbraw/zinc/41/20/04/329412004.db2.gz	MYPSVYKTTXIKMI-JTQLQIEISA-N	1	2	296.733	2.401	10	10		CECELO
CCCOc1cc([N@@H+]2CCC[C@H](CO)C2)ccc1N	ZINC000111050156	186348603	/nfs/dbraw/zinc/34/86/03/186348603.db2.gz	KSVFGHIMJPOSJL-LBPRGKRZSA-N	1	2	264.369	2.266	10	10		CECELO
CCCOc1cc([N@H+]2CCC[C@H](CO)C2)ccc1N	ZINC000111050156	186348604	/nfs/dbraw/zinc/34/86/04/186348604.db2.gz	KSVFGHIMJPOSJL-LBPRGKRZSA-N	1	2	264.369	2.266	10	10		CECELO
COC(=O)C(C)(C)[NH2+][C@H](C)c1ccc(N(C)C)cc1	ZINC000037304403	173108925	/nfs/dbraw/zinc/10/89/25/173108925.db2.gz	IMXDBCRQRAWXPA-LLVKDONJSA-N	1	2	264.369	2.355	10	10		CECELO
CCOC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O	ZINC000049370022	521027205	/nfs/dbraw/zinc/02/72/05/521027205.db2.gz	BLUSDPWHGDUJQE-GHMZBOCLSA-N	1	2	251.326	2.303	10	10		CECELO
CC(C)[N@H+](C)C[C@@H](C)NCc1cccc(F)c1O	ZINC000291624392	519627827	/nfs/dbraw/zinc/62/78/27/519627827.db2.gz	RVKSTBILDRNNRP-LLVKDONJSA-N	1	2	254.349	2.350	10	10		CECELO
CC(C)[N@@H+](C)C[C@@H](C)NCc1cccc(F)c1O	ZINC000291624392	519627830	/nfs/dbraw/zinc/62/78/30/519627830.db2.gz	RVKSTBILDRNNRP-LLVKDONJSA-N	1	2	254.349	2.350	10	10		CECELO
COc1c(Cl)c(O)c(C[NH3+])c(OC)c1Cl	ZINC000026008668	361634600	/nfs/dbraw/zinc/63/46/00/361634600.db2.gz	FAKGFIHKGBMCPD-UHFFFAOYSA-N	1	2	252.097	2.175	10	10		CECELO
CC[C@H]1C[N@H+](Cc2cc(C(C)=O)ccc2O)CCO1	ZINC000037312840	173114965	/nfs/dbraw/zinc/11/49/65/173114965.db2.gz	WAJVCSRIVBQTBZ-AWEZNQCLSA-N	1	2	263.337	2.206	10	10		CECELO
CC[C@H]1C[N@@H+](Cc2cc(C(C)=O)ccc2O)CCO1	ZINC000037312840	173114968	/nfs/dbraw/zinc/11/49/68/173114968.db2.gz	WAJVCSRIVBQTBZ-AWEZNQCLSA-N	1	2	263.337	2.206	10	10		CECELO
CC(=O)c1cc(F)cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1O	ZINC000037322600	260089174	/nfs/dbraw/zinc/08/91/74/260089174.db2.gz	BGPVGPVXGAOJNE-UWVGGRQHSA-N	1	2	281.327	2.343	10	10		CECELO
C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2[O-])CC[N@@H+]1C	ZINC000158824600	629234227	/nfs/dbraw/zinc/23/42/27/629234227.db2.gz	FGVLUBRCPCCOCP-JQWIXIFHSA-N	1	2	252.333	2.104	10	10		CECELO
C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2[O-])CC[N@H+]1C	ZINC000158824600	629234229	/nfs/dbraw/zinc/23/42/29/629234229.db2.gz	FGVLUBRCPCCOCP-JQWIXIFHSA-N	1	2	252.333	2.104	10	10		CECELO
CC[C@@H](C)[N@H+](C)CCNCc1cccc(F)c1O	ZINC000226590716	262379425	/nfs/dbraw/zinc/37/94/25/262379425.db2.gz	QWXIKZAUYUDDTR-LLVKDONJSA-N	1	2	254.349	2.351	10	10		CECELO
CC[C@@H](C)[N@@H+](C)CCNCc1cccc(F)c1O	ZINC000226590716	262379427	/nfs/dbraw/zinc/37/94/27/262379427.db2.gz	QWXIKZAUYUDDTR-LLVKDONJSA-N	1	2	254.349	2.351	10	10		CECELO
Cc1cc[nH+]cc1NCc1cc2c(cc1O)OCO2	ZINC000071413913	176158893	/nfs/dbraw/zinc/15/88/93/176158893.db2.gz	WCYPWHPFMOJWNG-UHFFFAOYSA-N	1	2	258.277	2.436	10	10		CECELO
CC[C@@H]1C[N@H+](Cc2cc(C(C)=O)ccc2O)CCO1	ZINC000037312839	173115235	/nfs/dbraw/zinc/11/52/35/173115235.db2.gz	WAJVCSRIVBQTBZ-CQSZACIVSA-N	1	2	263.337	2.206	10	10		CECELO
CC[C@@H]1C[N@@H+](Cc2cc(C(C)=O)ccc2O)CCO1	ZINC000037312839	173115237	/nfs/dbraw/zinc/11/52/37/173115237.db2.gz	WAJVCSRIVBQTBZ-CQSZACIVSA-N	1	2	263.337	2.206	10	10		CECELO
C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(F)cc1O	ZINC000185662656	262065152	/nfs/dbraw/zinc/06/51/52/262065152.db2.gz	RKDVTOLVZTYJPZ-JOYOIKCWSA-N	1	2	276.315	2.309	10	10		CECELO
CCOC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccccc1O	ZINC000049368304	521210711	/nfs/dbraw/zinc/21/07/11/521210711.db2.gz	IGUQKAGGNXUOPQ-JQWIXIFHSA-N	1	2	251.326	2.385	10	10		CECELO
C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2[O-])CC[N@@H+]1C	ZINC000158824332	629234290	/nfs/dbraw/zinc/23/42/90/629234290.db2.gz	FGVLUBRCPCCOCP-CMPLNLGQSA-N	1	2	252.333	2.104	10	10		CECELO
C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2[O-])CC[N@H+]1C	ZINC000158824332	629234292	/nfs/dbraw/zinc/23/42/92/629234292.db2.gz	FGVLUBRCPCCOCP-CMPLNLGQSA-N	1	2	252.333	2.104	10	10		CECELO
O=[N+]([O-])c1cc(-c2c[nH+]c3ccccn23)cc(O)c1O	ZINC000089201013	363949182	/nfs/dbraw/zinc/94/91/82/363949182.db2.gz	NPEMVHXILGPCKS-UHFFFAOYSA-N	1	2	271.232	2.321	10	10		CECELO
Oc1c(Br)cccc1C[NH2+]CC1CC(O)C1	ZINC000084446083	327150258	/nfs/dbraw/zinc/15/02/58/327150258.db2.gz	VPIPFIUQXQEGBH-UHFFFAOYSA-N	1	2	286.169	2.015	10	10		CECELO
COc1cc(Nc2ccc(N)c[nH+]2)cc(OC)c1OC	ZINC000034964423	361801575	/nfs/dbraw/zinc/80/15/75/361801575.db2.gz	QGYOMYBIJRXYTK-UHFFFAOYSA-N	1	2	275.308	2.433	10	10		CECELO
CCCOc1cc(N(CCC)CC(=O)NC)ccc1[NH3+]	ZINC000111053352	186348565	/nfs/dbraw/zinc/34/85/65/186348565.db2.gz	YRKBWQOIQQWFBF-UHFFFAOYSA-N	1	2	279.384	2.020	10	10		CECELO
COC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O	ZINC000179661144	368347120	/nfs/dbraw/zinc/34/71/20/368347120.db2.gz	BSPYDBYYVPSOMT-LLVKDONJSA-N	1	2	269.728	2.183	10	10		CECELO
COC(=O)[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1O	ZINC000179661144	368347126	/nfs/dbraw/zinc/34/71/26/368347126.db2.gz	BSPYDBYYVPSOMT-LLVKDONJSA-N	1	2	269.728	2.183	10	10		CECELO
CC(=O)c1ccc(O)c(C[N@@H+](C)C2CCOCC2)c1	ZINC000037312780	173114529	/nfs/dbraw/zinc/11/45/29/173114529.db2.gz	LELUGNZRADOZLS-UHFFFAOYSA-N	1	2	263.337	2.206	10	10		CECELO
CC(=O)c1ccc(O)c(C[N@H+](C)C2CCOCC2)c1	ZINC000037312780	173114531	/nfs/dbraw/zinc/11/45/31/173114531.db2.gz	LELUGNZRADOZLS-UHFFFAOYSA-N	1	2	263.337	2.206	10	10		CECELO
CCOC(=O)[C@H](C)[NH2+][C@H](CC)c1ccccc1O	ZINC000049368307	521214364	/nfs/dbraw/zinc/21/43/64/521214364.db2.gz	IGUQKAGGNXUOPQ-CMPLNLGQSA-N	1	2	251.326	2.385	10	10		CECELO
CCc1nnc(C[NH2+]Cc2cccc(F)c2O)s1	ZINC000290980413	522739803	/nfs/dbraw/zinc/73/98/03/522739803.db2.gz	UBJJSEQDCNCZKL-UHFFFAOYSA-N	1	2	267.329	2.235	10	10		CECELO
COC(=O)[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)C(C)C	ZINC000062745800	523640780	/nfs/dbraw/zinc/64/07/80/523640780.db2.gz	ANIMFRRYWXZFOI-RNCFNFMXSA-N	1	2	269.316	2.380	10	10		CECELO
Oc1c(F)cccc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000226343892	370337172	/nfs/dbraw/zinc/33/71/72/370337172.db2.gz	RVVYAHCBZGUZJU-KBPBESRZSA-N	1	2	264.344	2.248	10	10		CECELO
Oc1c(F)cccc1CN[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000226343892	370337176	/nfs/dbraw/zinc/33/71/76/370337176.db2.gz	RVVYAHCBZGUZJU-KBPBESRZSA-N	1	2	264.344	2.248	10	10		CECELO
CCOCC[N@@H+]1CCN(Cc2cc(C)ccc2O)C[C@@H]1C	ZINC000120897275	647606662	/nfs/dbraw/zinc/60/66/62/647606662.db2.gz	RSIVQNUDSLBXNR-HNNXBMFYSA-N	1	2	292.423	2.243	10	10		CECELO
CCOCC[N@H+]1CCN(Cc2cc(C)ccc2O)C[C@@H]1C	ZINC000120897275	647606667	/nfs/dbraw/zinc/60/66/67/647606667.db2.gz	RSIVQNUDSLBXNR-HNNXBMFYSA-N	1	2	292.423	2.243	10	10		CECELO
Oc1c(Cl)cccc1C[NH2+][C@H]1CCC[C@@H](O)C1	ZINC000127875699	651328309	/nfs/dbraw/zinc/32/83/09/651328309.db2.gz	HOLXHBFDZHNINE-WDEREUQCSA-N	1	2	255.745	2.439	10	10		CECELO
CCC[C@H]([NH2+]Cc1ccccc1O)C(=O)OCC	ZINC000083385010	178391621	/nfs/dbraw/zinc/39/16/21/178391621.db2.gz	BHQNIBOTZNHXOQ-LBPRGKRZSA-N	1	2	251.326	2.214	10	10		CECELO
[NH3+][C@@H](CF)c1c(O)c(F)ccc1Br	ZINC000238572066	344606682	/nfs/dbraw/zinc/60/66/82/344606682.db2.gz	JNGHSSOULYHHPF-LURJTMIESA-N	1	2	252.058	2.263	10	10		CECELO
CCCOc1cc(N(CCOC)CCOC)ccc1[NH3+]	ZINC000111050087	186348041	/nfs/dbraw/zinc/34/80/41/186348041.db2.gz	DCPVXIQCFBMNPD-UHFFFAOYSA-N	1	2	282.384	2.157	10	10		CECELO
COC(=O)[C@H](CC(C)C)[NH2+]Cc1cc(C)ccc1O	ZINC000071407466	176156142	/nfs/dbraw/zinc/15/61/42/176156142.db2.gz	BCAJTHYJNKLRCP-ZDUSSCGKSA-N	1	2	265.353	2.378	10	10		CECELO
COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O	ZINC000124777050	649738244	/nfs/dbraw/zinc/73/82/44/649738244.db2.gz	SGGQFPMKLBAVCU-LLVKDONJSA-N	1	2	269.728	2.183	10	10		CECELO
COC(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O	ZINC000124777050	649738247	/nfs/dbraw/zinc/73/82/47/649738247.db2.gz	SGGQFPMKLBAVCU-LLVKDONJSA-N	1	2	269.728	2.183	10	10		CECELO
CC(=O)c1ccc(O)c(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1	ZINC000021953226	171340625	/nfs/dbraw/zinc/34/06/25/171340625.db2.gz	VLQWUKLMIXPSJV-GHMZBOCLSA-N	1	2	263.337	2.204	10	10		CECELO
CCOC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccccc1O	ZINC000049368310	521027737	/nfs/dbraw/zinc/02/77/37/521027737.db2.gz	IGUQKAGGNXUOPQ-PWSUYJOCSA-N	1	2	251.326	2.385	10	10		CECELO
[NH3+][C@@H](CCO)c1cc(Cl)cc(Br)c1O	ZINC000044232962	362150878	/nfs/dbraw/zinc/15/08/78/362150878.db2.gz	XYRLYPDQPFUYSM-QMMMGPOBSA-N	1	2	280.549	2.190	10	10		CECELO
Oc1c(F)cccc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000226343884	370336793	/nfs/dbraw/zinc/33/67/93/370336793.db2.gz	RVVYAHCBZGUZJU-KGLIPLIRSA-N	1	2	264.344	2.248	10	10		CECELO
Oc1c(F)cccc1CN[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000226343884	370336795	/nfs/dbraw/zinc/33/67/95/370336795.db2.gz	RVVYAHCBZGUZJU-KGLIPLIRSA-N	1	2	264.344	2.248	10	10		CECELO
CCN(CC)C(=O)[C@H]1CCC[N@@H+](c2ccc(N)cc2)C1	ZINC000032121918	343411115	/nfs/dbraw/zinc/41/11/15/343411115.db2.gz	KEZAAKFYQNRKRS-ZDUSSCGKSA-N	1	2	275.396	2.354	10	10		CECELO
CCN(CC)C(=O)[C@H]1CCC[N@H+](c2ccc(N)cc2)C1	ZINC000032121918	343411119	/nfs/dbraw/zinc/41/11/19/343411119.db2.gz	KEZAAKFYQNRKRS-ZDUSSCGKSA-N	1	2	275.396	2.354	10	10		CECELO
CCCOc1cc([NH+]2CCC(CC(N)=O)CC2)ccc1N	ZINC000111053501	186348123	/nfs/dbraw/zinc/34/81/23/186348123.db2.gz	CAECBZMSFQVLLC-UHFFFAOYSA-N	1	2	291.395	2.149	10	10		CECELO
COC(=O)[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)C(C)C	ZINC000062745801	523931952	/nfs/dbraw/zinc/93/19/52/523931952.db2.gz	ANIMFRRYWXZFOI-NOZJJQNGSA-N	1	2	269.316	2.380	10	10		CECELO
CCOCC[N@@H+]1CCN(Cc2cccc(C)c2O)C[C@@H]1C	ZINC000180086601	641412505	/nfs/dbraw/zinc/41/25/05/641412505.db2.gz	XCMQIRZEIMCICK-HNNXBMFYSA-N	1	2	292.423	2.243	10	10		CECELO
CCOCC[N@H+]1CCN(Cc2cccc(C)c2O)C[C@@H]1C	ZINC000180086601	641412511	/nfs/dbraw/zinc/41/25/11/641412511.db2.gz	XCMQIRZEIMCICK-HNNXBMFYSA-N	1	2	292.423	2.243	10	10		CECELO
Oc1c(Cl)cccc1C[NH2+]C[C@H]1CCC[C@H]1O	ZINC000124849833	394839755	/nfs/dbraw/zinc/83/97/55/394839755.db2.gz	WQJAUNNIOAANEU-BXKDBHETSA-N	1	2	255.745	2.296	10	10		CECELO
C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2O)CC[N@H+]1C	ZINC000158824469	629234782	/nfs/dbraw/zinc/23/47/82/629234782.db2.gz	FGVLUBRCPCCOCP-PWSUYJOCSA-N	1	2	252.333	2.104	10	10		CECELO
C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2[O-])CC[N@@H+]1C	ZINC000158824469	629234783	/nfs/dbraw/zinc/23/47/83/629234783.db2.gz	FGVLUBRCPCCOCP-PWSUYJOCSA-N	1	2	252.333	2.104	10	10		CECELO
C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2[O-])CC[N@H+]1C	ZINC000158824469	629234784	/nfs/dbraw/zinc/23/47/84/629234784.db2.gz	FGVLUBRCPCCOCP-PWSUYJOCSA-N	1	2	252.333	2.104	10	10		CECELO
COC(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C)c1O	ZINC000179661192	368347058	/nfs/dbraw/zinc/34/70/58/368347058.db2.gz	LYTAYDOFWOLUQP-GFCCVEGCSA-N	1	2	283.755	2.491	10	10		CECELO
C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(F)cc1O	ZINC000185662677	262065212	/nfs/dbraw/zinc/06/52/12/262065212.db2.gz	RKDVTOLVZTYJPZ-BXKDBHETSA-N	1	2	276.315	2.309	10	10		CECELO
[NH3+][C@H](CF)c1c(O)c(F)ccc1Br	ZINC000238683519	344607579	/nfs/dbraw/zinc/60/75/79/344607579.db2.gz	JNGHSSOULYHHPF-ZCFIWIBFSA-N	1	2	252.058	2.263	10	10		CECELO
CC(C)c1nnc(C[N@H+](C)Cc2ccccc2O)n1C	ZINC000111235003	364724970	/nfs/dbraw/zinc/72/49/70/364724970.db2.gz	UUQDEJHHJVRSQD-UHFFFAOYSA-N	1	2	274.368	2.276	10	10		CECELO
C[N@H+](Cc1ccon1)Cc1cc(-c2cnccn2)ccc1O	ZINC000020865317	171276835	/nfs/dbraw/zinc/27/68/35/171276835.db2.gz	JLAPDRAZUJUICO-UHFFFAOYSA-N	1	2	296.330	2.469	10	10		CECELO
C[N@@H+](Cc1ccon1)Cc1cc(-c2cnccn2)ccc1O	ZINC000020865317	171276836	/nfs/dbraw/zinc/27/68/36/171276836.db2.gz	JLAPDRAZUJUICO-UHFFFAOYSA-N	1	2	296.330	2.469	10	10		CECELO
Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCn2ncnc21	ZINC000191298701	329411838	/nfs/dbraw/zinc/41/18/38/329411838.db2.gz	MYPSVYKTTXIKMI-SNVBAGLBSA-N	1	2	296.733	2.401	10	10		CECELO
Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[C@@H]1O	ZINC000124849055	394840337	/nfs/dbraw/zinc/84/03/37/394840337.db2.gz	WQJAUNNIOAANEU-CABZTGNLSA-N	1	2	255.745	2.296	10	10		CECELO
COC(=O)C(C)(C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1	ZINC000037304402	173108688	/nfs/dbraw/zinc/10/86/88/173108688.db2.gz	IMXDBCRQRAWXPA-NSHDSACASA-N	1	2	264.369	2.355	10	10		CECELO
CC[C@H](C)[N@H+](C)CCNCc1cccc(F)c1O	ZINC000226590724	262379527	/nfs/dbraw/zinc/37/95/27/262379527.db2.gz	QWXIKZAUYUDDTR-NSHDSACASA-N	1	2	254.349	2.351	10	10		CECELO
CC[C@H](C)[N@@H+](C)CCNCc1cccc(F)c1O	ZINC000226590724	262379528	/nfs/dbraw/zinc/37/95/28/262379528.db2.gz	QWXIKZAUYUDDTR-NSHDSACASA-N	1	2	254.349	2.351	10	10		CECELO
C[C@H]([NH2+]Cc1cccc(F)c1O)C(=O)OC(C)(C)C	ZINC000274485631	373940325	/nfs/dbraw/zinc/94/03/25/373940325.db2.gz	NPUUOWQDZLKBHM-VIFPVBQESA-N	1	2	269.316	2.351	10	10		CECELO
C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1[NH3+]	ZINC000235636259	628969850	/nfs/dbraw/zinc/96/98/50/628969850.db2.gz	VFWXGNAVIWRUAS-CPCISQLKSA-N	1	2	275.179	2.478	10	10		CECELO
C[N@H+](CC(=O)c1ccc(O)c(O)c1)Cc1ccccc1	ZINC000034429663	361790655	/nfs/dbraw/zinc/79/06/55/361790655.db2.gz	LVERDXLUFRHUKR-UHFFFAOYSA-N	1	2	271.316	2.413	10	10	in-vitro	CECELO
C[N@@H+](CC(=O)c1ccc(O)c(O)c1)Cc1ccccc1	ZINC000034429663	361790659	/nfs/dbraw/zinc/79/06/59/361790659.db2.gz	LVERDXLUFRHUKR-UHFFFAOYSA-N	1	2	271.316	2.413	10	10	in-vitro	CECELO
[NH3+][C@H](CF)c1ccc(Br)c(F)c1O	ZINC000307341076	344722015	/nfs/dbraw/zinc/72/20/15/344722015.db2.gz	UTUGKRDNPJRRCC-ZCFIWIBFSA-N	1	2	252.058	2.263	10	10		CECELO
CC(=O)c1ccc(O)c(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1	ZINC000021953231	171340528	/nfs/dbraw/zinc/34/05/28/171340528.db2.gz	VLQWUKLMIXPSJV-QWRGUYRKSA-N	1	2	263.337	2.204	10	10		CECELO
CCCOc1cc(N(CC(N)=O)CC(C)C)ccc1[NH3+]	ZINC000111053835	186348090	/nfs/dbraw/zinc/34/80/90/186348090.db2.gz	RLJBCCIHUQPAIN-UHFFFAOYSA-N	1	2	279.384	2.005	10	10		CECELO
CC(=O)c1ccc(O)c(C[N@@H+]2CCOC(C)(C)C2)c1	ZINC000037312779	173114951	/nfs/dbraw/zinc/11/49/51/173114951.db2.gz	CPXFYDQRFJWPCP-UHFFFAOYSA-N	1	2	263.337	2.206	10	10		CECELO
CC(=O)c1ccc(O)c(C[N@H+]2CCOC(C)(C)C2)c1	ZINC000037312779	173114952	/nfs/dbraw/zinc/11/49/52/173114952.db2.gz	CPXFYDQRFJWPCP-UHFFFAOYSA-N	1	2	263.337	2.206	10	10		CECELO
Oc1c(Cl)cccc1C[NH2+][C@H]1CCC[C@H](O)C1	ZINC000127875260	651328244	/nfs/dbraw/zinc/32/82/44/651328244.db2.gz	HOLXHBFDZHNINE-QWRGUYRKSA-N	1	2	255.745	2.439	10	10		CECELO
[NH3+][C@H](CF)c1cc(Br)c(F)c(F)c1O	ZINC000306679198	344716289	/nfs/dbraw/zinc/71/62/89/344716289.db2.gz	HIWQFDMDSOFHFQ-RXMQYKEDSA-N	1	2	270.048	2.402	10	10		CECELO
COc1ccc(N2CC[NH+](CC(=O)C(C)(C)C)CC2)cc1	ZINC000035181762	536692637	/nfs/dbraw/zinc/69/26/37/536692637.db2.gz	GLZGJHBEZMLJNB-UHFFFAOYSA-N	1	2	290.407	2.432	10	10		CECELO
COc1c(C)cnc(COc2ccc[nH+]c2N)c1C	ZINC000020483650	171223626	/nfs/dbraw/zinc/22/36/26/171223626.db2.gz	HFFOIEDDDZSXKE-UHFFFAOYSA-N	1	2	259.309	2.263	10	10		CECELO
Oc1c(Cl)cccc1C[NH2+][C@@H]1CCCC[C@@H]1O	ZINC000124815935	329574263	/nfs/dbraw/zinc/57/42/63/329574263.db2.gz	GYQQTCQGVWIHJC-NEPJUHHUSA-N	1	2	255.745	2.439	10	10		CECELO
CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O	ZINC000049370429	521211330	/nfs/dbraw/zinc/21/13/30/521211330.db2.gz	CAAFAAGYSBXPEA-QWRGUYRKSA-N	1	2	251.326	2.303	10	10		CECELO
COC(=O)C(C)(C)[NH2+][C@H](C)c1cc(OC)ccc1O	ZINC000037085484	522804028	/nfs/dbraw/zinc/80/40/28/522804028.db2.gz	JVDJQBZQYJGNJG-SECBINFHSA-N	1	2	267.325	2.003	10	10		CECELO
Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H](n2cncn2)C1	ZINC000180067093	368367070	/nfs/dbraw/zinc/36/70/70/368367070.db2.gz	JRPWTFSYDNIDGD-LBPRGKRZSA-N	1	2	292.770	2.474	10	10		CECELO
Oc1c(Cl)cccc1C[N@H+]1CCC[C@H](n2cncn2)C1	ZINC000180067093	368367072	/nfs/dbraw/zinc/36/70/72/368367072.db2.gz	JRPWTFSYDNIDGD-LBPRGKRZSA-N	1	2	292.770	2.474	10	10		CECELO