smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNC(=S)N/N=C/c1cccn1-c1ccc([NH+](C)C)cc1	ZINC000006205766	353995495	/nfs/dbraw/zinc/99/54/95/353995495.db2.gz	PUMDYCDJNITUEO-LDADJPATSA-N	1	2	315.446	2.361	40	30		DEEBLO
C=CC[NH+]1CCN([C@@H](c2nnnn2C2CCCC2)C(C)C)CC1	ZINC000019445967	182123557	/nfs/dbraw/zinc/12/35/57/182123557.db2.gz	HDAHGYUWXBUTPK-MRXNPFEDSA-N	1	2	318.469	2.289	40	30		DEEBLO
Cc1cc(/C=N/O)c[nH+]c1N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000072222602	257123873	/nfs/dbraw/zinc/12/38/73/257123873.db2.gz	SXEAXBSOKWAZTE-WOJGMQOQSA-N	1	2	320.393	2.255	40	30		DEEBLO
C[C@@H]1C[C@H](C)CN(c2c(N)cc(C#N)n2Cc2[nH+]ccn2C)C1	ZINC000225867611	402324820	/nfs/dbraw/zinc/32/48/20/402324820.db2.gz	PKRRKBHHOGXDRP-BETUJISGSA-N	1	2	312.421	2.206	40	30		DEEBLO
CCOC[C@H]1Cn2ccnc2C[N@H+](Cc2cccc(C#N)c2)C1	ZINC000096187795	402066242	/nfs/dbraw/zinc/06/62/42/402066242.db2.gz	GJLXWCOGHYQLDV-QGZVFWFLSA-N	1	2	310.401	2.423	40	30		DEEBLO
CCOC[C@H]1Cn2ccnc2C[N@@H+](Cc2cccc(C#N)c2)C1	ZINC000096187795	402066244	/nfs/dbraw/zinc/06/62/44/402066244.db2.gz	GJLXWCOGHYQLDV-QGZVFWFLSA-N	1	2	310.401	2.423	40	30		DEEBLO
CCOC(=O)c1sc(NC(=O)C[NH+]2CCCC2)c(C#N)c1C	ZINC000409386651	528396499	/nfs/dbraw/zinc/39/64/99/528396499.db2.gz	WERHNLCDWGGJHV-UHFFFAOYSA-N	1	2	321.402	2.139	40	30		DEEBLO
C[C@@H](C(=O)N(C)C1(C#N)CCCCC1)[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000040468281	183073663	/nfs/dbraw/zinc/07/36/63/183073663.db2.gz	VDRQOSVOLXLPPT-KKUMJFAQSA-N	1	2	307.438	2.169	40	30		DEEBLO
C=CCOC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccsc2)C1	ZINC000096187838	402065875	/nfs/dbraw/zinc/06/58/75/402065875.db2.gz	JOJRPYADZBGRCG-CYBMUJFWSA-N	1	2	317.414	2.419	40	30		DEEBLO
C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCS(=O)(=O)C1	ZINC000575420743	406809788	/nfs/dbraw/zinc/80/97/88/406809788.db2.gz	JXRXDNURLJOFPA-HNNXBMFYSA-N	1	2	324.402	2.160	40	30		DEEBLO
C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCS(=O)(=O)C1	ZINC000575420743	406809791	/nfs/dbraw/zinc/80/97/91/406809791.db2.gz	JXRXDNURLJOFPA-HNNXBMFYSA-N	1	2	324.402	2.160	40	30		DEEBLO
Cc1[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1/C=N/O	ZINC000072224689	257123663	/nfs/dbraw/zinc/12/36/63/257123663.db2.gz	JAFJXLLMUYIXBL-GZTJUZNOSA-N	1	2	320.393	2.255	40	30		DEEBLO
C=CCO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc2c(c1)OCO2	ZINC000096042019	402048808	/nfs/dbraw/zinc/04/88/08/402048808.db2.gz	OPXNAJWEEKDBCE-QILLFSRXSA-N	1	2	317.385	2.350	40	30		DEEBLO
C=CCO[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc2c(c1)OCO2	ZINC000096042019	402048809	/nfs/dbraw/zinc/04/88/09/402048809.db2.gz	OPXNAJWEEKDBCE-QILLFSRXSA-N	1	2	317.385	2.350	40	30		DEEBLO
C[C@@H]1C[C@@H](C)CN(c2c(N)cc(C#N)n2Cc2[nH+]ccn2C)C1	ZINC000225867594	288481164	/nfs/dbraw/zinc/48/11/64/288481164.db2.gz	PKRRKBHHOGXDRP-CHWSQXEVSA-N	1	2	312.421	2.206	40	30		DEEBLO
C#CCNC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2CC)C1	ZINC000012145835	401780354	/nfs/dbraw/zinc/78/03/54/401780354.db2.gz	LWYCHXXKJQDTLJ-CQSZACIVSA-N	1	2	310.401	2.022	40	30		DEEBLO
CCOC[C@@H]1Cn2ccnc2C[N@H+](Cc2cccc(C#N)c2)C1	ZINC000096187794	402066127	/nfs/dbraw/zinc/06/61/27/402066127.db2.gz	GJLXWCOGHYQLDV-KRWDZBQOSA-N	1	2	310.401	2.423	40	30		DEEBLO
CCOC[C@@H]1Cn2ccnc2C[N@@H+](Cc2cccc(C#N)c2)C1	ZINC000096187794	402066128	/nfs/dbraw/zinc/06/61/28/402066128.db2.gz	GJLXWCOGHYQLDV-KRWDZBQOSA-N	1	2	310.401	2.423	40	30		DEEBLO
Cc1ccc(S(=O)(=O)NCC/[NH+]=C/c2ccccc2)cc1	ZINC000100140082	402139729	/nfs/dbraw/zinc/13/97/29/402139729.db2.gz	PRQYAVBYUCMWPO-GHRIWEEISA-N	1	2	302.399	2.392	40	30		DEEBLO
C=C(C)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000028051494	518603060	/nfs/dbraw/zinc/60/30/60/518603060.db2.gz	FOBGVUUOJHCURL-UHFFFAOYSA-N	1	2	314.838	2.222	40	30		DEEBLO
C=CCOC[C@H]1Cn2cc[nH+]c2CN(C(=O)NC2CCCC2)C1	ZINC000096187865	402066335	/nfs/dbraw/zinc/06/63/35/402066335.db2.gz	WTEUNDLIEXCLSR-AWEZNQCLSA-N	1	2	318.421	2.170	40	30		DEEBLO
Cn1cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)nn1	ZINC000328858598	404162760	/nfs/dbraw/zinc/16/27/60/404162760.db2.gz	DPRNMRUSIKPOCS-UHFFFAOYSA-N	1	2	305.426	2.316	40	30		DEEBLO
C=C(C)C[NH+]1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1	ZINC000036741138	401907132	/nfs/dbraw/zinc/90/71/32/401907132.db2.gz	VJLRTDLOPBYOGJ-INIZCTEOSA-N	1	2	320.820	2.364	40	30		DEEBLO
Cc1nc(NC(=[NH2+])N2CCCCC2)[nH]c(=O)c1CCC(C)C	ZINC000019819769	182154313	/nfs/dbraw/zinc/15/43/13/182154313.db2.gz	CZYKNSPOVAVVQZ-UHFFFAOYSA-N	1	2	305.426	2.099	40	30		DEEBLO
C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@H]1CCCCO1	ZINC000329475017	539920720	/nfs/dbraw/zinc/92/07/20/539920720.db2.gz	NPYAOPNHKFEYCM-GXTWGEPZSA-N	1	2	306.410	2.461	40	30		DEEBLO
C=CCN1CCOC[C@]2(C[N@H+](Cc3ccc(C)s3)CCO2)C1	ZINC000096229404	402072336	/nfs/dbraw/zinc/07/23/36/402072336.db2.gz	OZTLEZGEHIAXMZ-QGZVFWFLSA-N	1	2	322.474	2.146	40	30		DEEBLO
C=CCN1CCOC[C@]2(C[N@@H+](Cc3ccc(C)s3)CCO2)C1	ZINC000096229404	402072340	/nfs/dbraw/zinc/07/23/40/402072340.db2.gz	OZTLEZGEHIAXMZ-QGZVFWFLSA-N	1	2	322.474	2.146	40	30		DEEBLO
C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccs1	ZINC000096060494	402055003	/nfs/dbraw/zinc/05/50/03/402055003.db2.gz	KHVJZFAQRHWSGU-AWEZNQCLSA-N	1	2	304.419	2.179	40	30		DEEBLO
C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1cccs1	ZINC000096060494	402055005	/nfs/dbraw/zinc/05/50/05/402055005.db2.gz	KHVJZFAQRHWSGU-AWEZNQCLSA-N	1	2	304.419	2.179	40	30		DEEBLO
C=CCOC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccsc2)C1	ZINC000096187839	402065781	/nfs/dbraw/zinc/06/57/81/402065781.db2.gz	JOJRPYADZBGRCG-ZDUSSCGKSA-N	1	2	317.414	2.419	40	30		DEEBLO
Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2(C(F)(F)F)CC2)C1	ZINC000329403541	404326708	/nfs/dbraw/zinc/32/67/08/404326708.db2.gz	ZTZUYFLCNCVFEL-JTQLQIEISA-N	1	2	316.327	2.466	40	30		DEEBLO
C=CCN1CCN(C(=O)c2cccc(C)n2)Cc2ccc[nH+]c21	ZINC000096060960	402054891	/nfs/dbraw/zinc/05/48/91/402054891.db2.gz	FCGBVPWQSAHLNV-UHFFFAOYSA-N	1	2	308.385	2.433	40	30		DEEBLO
Cc1c(C#N)c(=O)n(Cc2ccccc2)c(O)c1C[NH+]1CCCC1	ZINC000019874529	182159301	/nfs/dbraw/zinc/15/93/01/182159301.db2.gz	IZZQMXIXPJKTOM-UHFFFAOYSA-N	1	2	323.396	2.378	40	30		DEEBLO
COC(=O)c1ccc(Cn2c(C#N)ccc2Cn2cc[nH+]c2)o1	ZINC000078404678	401850295	/nfs/dbraw/zinc/85/02/95/401850295.db2.gz	WFXOXLGMEPAFPA-UHFFFAOYSA-N	1	2	310.313	2.032	40	30		DEEBLO
Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2(C(F)(F)F)CC2)C1	ZINC000329403542	404326529	/nfs/dbraw/zinc/32/65/29/404326529.db2.gz	ZTZUYFLCNCVFEL-SNVBAGLBSA-N	1	2	316.327	2.466	40	30		DEEBLO
N#Cc1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1	ZINC000006045954	283161854	/nfs/dbraw/zinc/16/18/54/283161854.db2.gz	LMBIUOXFZAMJLR-UHFFFAOYSA-N	1	2	309.329	2.188	40	30		DEEBLO
C=CCc1ccccc1OC[C@@H](S)CN1CC[NH+](C)CC1	ZINC000022574147	401827004	/nfs/dbraw/zinc/82/70/04/401827004.db2.gz	KUFFWHUXAZQPLJ-INIZCTEOSA-N	1	2	306.475	2.340	40	30		DEEBLO
CCCn1c(O)c(C[N@@H+]2CCC[C@H](C)C2)c(C)c(C#N)c1=O	ZINC000100630137	402142207	/nfs/dbraw/zinc/14/22/07/402142207.db2.gz	RXOABCXKDBQJCL-LBPRGKRZSA-N	1	2	303.406	2.376	40	30		DEEBLO
CCCn1c(O)c(C[N@H+]2CCC[C@H](C)C2)c(C)c(C#N)c1=O	ZINC000100630137	402142208	/nfs/dbraw/zinc/14/22/08/402142208.db2.gz	RXOABCXKDBQJCL-LBPRGKRZSA-N	1	2	303.406	2.376	40	30		DEEBLO
NC(=S)N/[NH+]=C/c1cc2ccccc2nc1N1CCCCC1	ZINC000021486328	182275213	/nfs/dbraw/zinc/27/52/13/182275213.db2.gz	CYXRORBXZJHBTM-WOJGMQOQSA-N	1	2	313.430	2.392	40	30		DEEBLO
CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C=O	ZINC000063361135	184281076	/nfs/dbraw/zinc/28/10/76/184281076.db2.gz	BHZMIMWLXCEQDL-HNNXBMFYSA-N	1	2	304.390	2.307	40	30		DEEBLO
CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C=O	ZINC000063361135	184281077	/nfs/dbraw/zinc/28/10/77/184281077.db2.gz	BHZMIMWLXCEQDL-HNNXBMFYSA-N	1	2	304.390	2.307	40	30		DEEBLO
C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@]1(C)CCS(=O)(=O)C1	ZINC000575420744	406809628	/nfs/dbraw/zinc/80/96/28/406809628.db2.gz	JXRXDNURLJOFPA-OAHLLOKOSA-N	1	2	324.402	2.160	40	30		DEEBLO
C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@]1(C)CCS(=O)(=O)C1	ZINC000575420744	406809629	/nfs/dbraw/zinc/80/96/29/406809629.db2.gz	JXRXDNURLJOFPA-OAHLLOKOSA-N	1	2	324.402	2.160	40	30		DEEBLO
CCCNC(=S)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000013556530	521659604	/nfs/dbraw/zinc/65/96/04/521659604.db2.gz	GGOUGUGZQPLETK-UHFFFAOYSA-N	1	2	321.446	2.229	40	30		DEEBLO
CC[NH+](CC)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000001583713	180875595	/nfs/dbraw/zinc/87/55/95/180875595.db2.gz	OKFGABZUAVRNHP-UHFFFAOYSA-N	1	2	312.229	2.277	40	30		DEEBLO
N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC=CCC3)CC2)cc1	ZINC000077641935	355217578	/nfs/dbraw/zinc/21/75/78/355217578.db2.gz	DCTAZRMBXCKYAH-SFHVURJKSA-N	1	2	324.428	2.494	40	30		DEEBLO
CCCn1c(O)c(C[N@@H+]2CCC[C@@H](C)C2)c(C)c(C#N)c1=O	ZINC000100630140	402142199	/nfs/dbraw/zinc/14/21/99/402142199.db2.gz	RXOABCXKDBQJCL-GFCCVEGCSA-N	1	2	303.406	2.376	40	30		DEEBLO
CCCn1c(O)c(C[N@H+]2CCC[C@@H](C)C2)c(C)c(C#N)c1=O	ZINC000100630140	402142200	/nfs/dbraw/zinc/14/22/00/402142200.db2.gz	RXOABCXKDBQJCL-GFCCVEGCSA-N	1	2	303.406	2.376	40	30		DEEBLO
CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C=O	ZINC000063361141	184281171	/nfs/dbraw/zinc/28/11/71/184281171.db2.gz	BHZMIMWLXCEQDL-OAHLLOKOSA-N	1	2	304.390	2.307	40	30		DEEBLO
CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C=O	ZINC000063361141	184281173	/nfs/dbraw/zinc/28/11/73/184281173.db2.gz	BHZMIMWLXCEQDL-OAHLLOKOSA-N	1	2	304.390	2.307	40	30		DEEBLO
Cc1cc(=O)[nH]c(N[NH+]=Cc2ccc(N(C)C)cc2Cl)n1	ZINC000031667471	401872988	/nfs/dbraw/zinc/87/29/88/401872988.db2.gz	WRMOELYPZBAENA-PXNMLYILSA-N	1	2	305.769	2.244	40	30		DEEBLO
C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(C)s1	ZINC000096060501	402055082	/nfs/dbraw/zinc/05/50/82/402055082.db2.gz	TZHKHOUJPFALFP-OAHLLOKOSA-N	1	2	318.446	2.487	40	30		DEEBLO
C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(C)s1	ZINC000096060501	402055084	/nfs/dbraw/zinc/05/50/84/402055084.db2.gz	TZHKHOUJPFALFP-OAHLLOKOSA-N	1	2	318.446	2.487	40	30		DEEBLO
C[N@@H+]1CCc2c(C#N)c(NC(=O)CN3CCCCC3)sc2C1	ZINC000408580531	529812042	/nfs/dbraw/zinc/81/20/42/529812042.db2.gz	CEPYAVNWEBFOKL-UHFFFAOYSA-N	1	2	318.446	2.032	40	30		DEEBLO
C[N@H+]1CCc2c(C#N)c(NC(=O)CN3CCCCC3)sc2C1	ZINC000408580531	529812043	/nfs/dbraw/zinc/81/20/43/529812043.db2.gz	CEPYAVNWEBFOKL-UHFFFAOYSA-N	1	2	318.446	2.032	40	30		DEEBLO
C=CCc1ccccc1OC[C@H](S)CN1CC[NH+](C)CC1	ZINC000022863964	182337775	/nfs/dbraw/zinc/33/77/75/182337775.db2.gz	KUFFWHUXAZQPLJ-MRXNPFEDSA-N	1	2	306.475	2.340	40	30		DEEBLO
C/C(=N\CC[NH3+])c1c(O)c2ccccc2n(-c2ccccc2)c1=O	ZINC000004701053	277731864	/nfs/dbraw/zinc/73/18/64/277731864.db2.gz	PNWANYPPNBXTGF-FYJGNVAPSA-N	1	2	321.380	2.464	40	30		DEEBLO
N#Cc1ccc(Br)cc1NCC[NH+]1CCOCC1	ZINC000039956472	183024443	/nfs/dbraw/zinc/02/44/43/183024443.db2.gz	GVGWUSXNRXPNNE-UHFFFAOYSA-N	1	2	310.195	2.065	40	30		DEEBLO
O=[N+]([O-])c1ccc(N[NH+]=Cc2ccc(N3CCOCC3)o2)cc1	ZINC000210950941	257215511	/nfs/dbraw/zinc/21/55/11/257215511.db2.gz	BEPFGFHJGNUMAY-WJDWOHSUSA-N	1	2	316.317	2.470	40	30		DEEBLO
C=CCO[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccnc1OC	ZINC000096042022	402049117	/nfs/dbraw/zinc/04/91/17/402049117.db2.gz	UKUAGVQYBKPGKY-HRCADAONSA-N	1	2	304.390	2.025	40	30		DEEBLO
C=CCO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccnc1OC	ZINC000096042022	402049120	/nfs/dbraw/zinc/04/91/20/402049120.db2.gz	UKUAGVQYBKPGKY-HRCADAONSA-N	1	2	304.390	2.025	40	30		DEEBLO
Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H](C2CC2)C(F)(F)F)C1	ZINC000329329504	404304095	/nfs/dbraw/zinc/30/40/95/404304095.db2.gz	LBTWSEZMUDXPIM-MNOVXSKESA-N	1	2	316.327	2.464	40	30		DEEBLO
Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]cc1/C=N/O	ZINC000072223644	257123412	/nfs/dbraw/zinc/12/34/12/257123412.db2.gz	IOLFFNNFZCXMSS-WOJGMQOQSA-N	1	2	320.393	2.255	40	30		DEEBLO
COc1ccc(NC(=[NH2+])Nc2ccc([N+](=O)[O-])cn2)c(OC)c1	ZINC000225235195	402315956	/nfs/dbraw/zinc/31/59/56/402315956.db2.gz	YHFYBQAGCUTOHZ-UHFFFAOYSA-N	1	2	317.305	2.065	40	30		DEEBLO
C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(C)s1	ZINC000096060500	402054953	/nfs/dbraw/zinc/05/49/53/402054953.db2.gz	TZHKHOUJPFALFP-HNNXBMFYSA-N	1	2	318.446	2.487	40	30		DEEBLO
C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(C)s1	ZINC000096060500	402054955	/nfs/dbraw/zinc/05/49/55/402054955.db2.gz	TZHKHOUJPFALFP-HNNXBMFYSA-N	1	2	318.446	2.487	40	30		DEEBLO
C=CCOC[C@H]1Cn2nccc2C[N@H+](Cc2csc(C)n2)C1	ZINC000096189014	402066812	/nfs/dbraw/zinc/06/68/12/402066812.db2.gz	NXOIFMBPZHMYOB-CQSZACIVSA-N	1	2	318.446	2.483	40	30		DEEBLO
C=CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2csc(C)n2)C1	ZINC000096189014	402066814	/nfs/dbraw/zinc/06/68/14/402066814.db2.gz	NXOIFMBPZHMYOB-CQSZACIVSA-N	1	2	318.446	2.483	40	30		DEEBLO
C=CCOC[C@@H]1Cn2cc[nH+]c2CN(Cc2nccs2)C1	ZINC000096187832	193568587	/nfs/dbraw/zinc/56/85/87/193568587.db2.gz	JRARIIJICSRNBD-ZDUSSCGKSA-N	1	2	304.419	2.174	40	30		DEEBLO
C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccs1	ZINC000096060495	402054937	/nfs/dbraw/zinc/05/49/37/402054937.db2.gz	KHVJZFAQRHWSGU-CQSZACIVSA-N	1	2	304.419	2.179	40	30		DEEBLO
C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1cccs1	ZINC000096060495	402054939	/nfs/dbraw/zinc/05/49/39/402054939.db2.gz	KHVJZFAQRHWSGU-CQSZACIVSA-N	1	2	304.419	2.179	40	30		DEEBLO
C#CCNC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2CC)C1	ZINC000012145836	401780337	/nfs/dbraw/zinc/78/03/37/401780337.db2.gz	LWYCHXXKJQDTLJ-AWEZNQCLSA-N	1	2	310.401	2.022	40	30		DEEBLO
C=CCN1CCN(C(=O)c2ccncc2F)Cc2ccc[nH+]c21	ZINC000096069193	402056167	/nfs/dbraw/zinc/05/61/67/402056167.db2.gz	JVDAZVGBZMOVQY-UHFFFAOYSA-N	1	2	312.348	2.264	40	30		DEEBLO
C=CCNc1nc(N2CCCCC2)[nH+]c(N2CCCCC2)n1	ZINC000003099669	401721597	/nfs/dbraw/zinc/72/15/97/401721597.db2.gz	UMJVZCVBNCCICF-UHFFFAOYSA-N	1	2	302.426	2.450	40	30		DEEBLO
C=CCOC[C@@H]1Cn2cc[nH+]c2CN(C(=O)NC2CCCC2)C1	ZINC000096187864	402066071	/nfs/dbraw/zinc/06/60/71/402066071.db2.gz	WTEUNDLIEXCLSR-CQSZACIVSA-N	1	2	318.421	2.170	40	30		DEEBLO
COc1cccc(/C=C\C(=O)CC[NH+]2CCOCC2)c1OC	ZINC000031912179	525770587	/nfs/dbraw/zinc/77/05/87/525770587.db2.gz	VGWUPNJKRUYQBY-SREVYHEPSA-N	1	2	305.374	2.008	40	30		DEEBLO
C=CCOC[C@H]1Cn2cc[nH+]c2CN(Cc2nccs2)C1	ZINC000096187833	193568813	/nfs/dbraw/zinc/56/88/13/193568813.db2.gz	JRARIIJICSRNBD-CYBMUJFWSA-N	1	2	304.419	2.174	40	30		DEEBLO
Cc1ccc(-c2cc(=O)[nH]c(NC(=[NH2+])N3CCCCC3)n2)cc1	ZINC000019819785	182154297	/nfs/dbraw/zinc/15/42/97/182154297.db2.gz	IGOLMUMYNMSMGO-UHFFFAOYSA-N	1	2	311.389	2.177	40	30		DEEBLO
C[C@H]1C[C@H](C)CN(c2c(N)cc(C#N)n2Cc2[nH+]ccn2C)C1	ZINC000225867627	402324998	/nfs/dbraw/zinc/32/49/98/402324998.db2.gz	PKRRKBHHOGXDRP-STQMWFEESA-N	1	2	312.421	2.206	40	30		DEEBLO
C=CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2csc(C)n2)C1	ZINC000096189015	402066909	/nfs/dbraw/zinc/06/69/09/402066909.db2.gz	NXOIFMBPZHMYOB-AWEZNQCLSA-N	1	2	318.446	2.483	40	30		DEEBLO
C=CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2csc(C)n2)C1	ZINC000096189015	402066912	/nfs/dbraw/zinc/06/69/12/402066912.db2.gz	NXOIFMBPZHMYOB-AWEZNQCLSA-N	1	2	318.446	2.483	40	30		DEEBLO
COc1cccc(/C=C/C(=O)CC[NH+]2CCOCC2)c1OC	ZINC000031912183	525759847	/nfs/dbraw/zinc/75/98/47/525759847.db2.gz	VGWUPNJKRUYQBY-VOTSOKGWSA-N	1	2	305.374	2.008	40	30		DEEBLO
C#CCNC(=O)C1CCN(c2[nH+]c3ccccc3n2CC=C)CC1	ZINC000012116482	401779906	/nfs/dbraw/zinc/77/99/06/401779906.db2.gz	LKOJHLGKYBBGKK-UHFFFAOYSA-N	1	2	322.412	2.188	40	30		DEEBLO
C=C(C)C[NH+]1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1	ZINC000036741139	401907104	/nfs/dbraw/zinc/90/71/04/401907104.db2.gz	VJLRTDLOPBYOGJ-MRXNPFEDSA-N	1	2	320.820	2.364	40	30		DEEBLO
C=CCN1CCN(C(=O)Cc2ccccn2)Cc2ccc[nH+]c21	ZINC000096069191	402056164	/nfs/dbraw/zinc/05/61/64/402056164.db2.gz	YEGYRDQXFLHVDX-UHFFFAOYSA-N	1	2	308.385	2.054	40	30		DEEBLO
CC[NH+](CC)c1ccc(NN=C2C(=O)OC(C)(C)OC2=O)cc1	ZINC000016678545	182057608	/nfs/dbraw/zinc/05/76/08/182057608.db2.gz	WEWFRGOYBYCSNP-UHFFFAOYSA-N	1	2	319.361	2.137	40	30		DEEBLO
Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H](C2CC2)C(F)(F)F)C1	ZINC000329329503	404303898	/nfs/dbraw/zinc/30/38/98/404303898.db2.gz	LBTWSEZMUDXPIM-GHMZBOCLSA-N	1	2	316.327	2.464	40	30		DEEBLO
CCNC(=S)N/[NH+]=C/c1ccc(N(CC)CC)cc1OC	ZINC000033757987	354160155	/nfs/dbraw/zinc/16/01/55/354160155.db2.gz	UZWBDUMDJQJDNE-GZTJUZNOSA-N	1	2	308.451	2.359	40	30		DEEBLO
C=CCN1CCOC[C@@]2(C[N@H+](Cc3ccc(C)s3)CCO2)C1	ZINC000096229405	402072829	/nfs/dbraw/zinc/07/28/29/402072829.db2.gz	OZTLEZGEHIAXMZ-KRWDZBQOSA-N	1	2	322.474	2.146	40	30		DEEBLO
C=CCN1CCOC[C@@]2(C[N@@H+](Cc3ccc(C)s3)CCO2)C1	ZINC000096229405	402072831	/nfs/dbraw/zinc/07/28/31/402072831.db2.gz	OZTLEZGEHIAXMZ-KRWDZBQOSA-N	1	2	322.474	2.146	40	30		DEEBLO
C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@@H]1CCCCO1	ZINC000329475018	539921194	/nfs/dbraw/zinc/92/11/94/539921194.db2.gz	NPYAOPNHKFEYCM-JSGCOSHPSA-N	1	2	306.410	2.461	40	30		DEEBLO
CCN(CC)c1ccc(/C=[NH+]/NC(=S)NC(C)C)c(O)c1	ZINC000006299921	181327822	/nfs/dbraw/zinc/32/78/22/181327822.db2.gz	MYJGCPJQTUJRFS-MHWRWJLKSA-N	1	2	308.451	2.445	40	30		DEEBLO
C=CC[NH+]1CCN([C@H](c2nnnn2C2CCCC2)C(C)C)CC1	ZINC000019445969	182123992	/nfs/dbraw/zinc/12/39/92/182123992.db2.gz	HDAHGYUWXBUTPK-INIZCTEOSA-N	1	2	318.469	2.289	40	30		DEEBLO
C=CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccnc1OC	ZINC000096041511	193495220	/nfs/dbraw/zinc/49/52/20/193495220.db2.gz	UKUAGVQYBKPGKY-ARFHVFGLSA-N	1	2	304.390	2.025	40	30		DEEBLO
C=CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccnc1OC	ZINC000096041511	193495222	/nfs/dbraw/zinc/49/52/22/193495222.db2.gz	UKUAGVQYBKPGKY-ARFHVFGLSA-N	1	2	304.390	2.025	40	30		DEEBLO
C#CCNC(=O)C1CCN(c2[nH+]c3ccccc3n2CC)CC1	ZINC000012116385	401779380	/nfs/dbraw/zinc/77/93/80/401779380.db2.gz	FFWNIRFOUIBUKW-UHFFFAOYSA-N	1	2	310.401	2.022	40	30		DEEBLO
COc1ccc(CC2=C3CC(=O)C(=O)C=C3CC[N@@H+]2C)cc1O	ZINC000367895568	405186146	/nfs/dbraw/zinc/18/61/46/405186146.db2.gz	LXAJUXGUPZXGAK-UHFFFAOYSA-N	1	2	313.353	2.484	40	30		DEEBLO
COc1ccc(CC2=C3CC(=O)C(=O)C=C3CC[N@H+]2C)cc1O	ZINC000367895568	405186150	/nfs/dbraw/zinc/18/61/50/405186150.db2.gz	LXAJUXGUPZXGAK-UHFFFAOYSA-N	1	2	313.353	2.484	40	30		DEEBLO
Cc1cnn(-c2cc(N[NH+]=Cc3ccc(N(C)C)cc3)ncn2)c1	ZINC000004595710	181128740	/nfs/dbraw/zinc/12/87/40/181128740.db2.gz	TXVPOLLNBHPCNH-KEBDBYFISA-N	1	2	321.388	2.483	40	30		DEEBLO
C[C@H](C(=O)N(C)C1(C#N)CCCCC1)[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000195536029	225207104	/nfs/dbraw/zinc/20/71/04/225207104.db2.gz	VDRQOSVOLXLPPT-SOUVJXGZSA-N	1	2	307.438	2.169	40	30		DEEBLO
C=CCO[C@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccc2c(c1)OCO2	ZINC000096065690	402055419	/nfs/dbraw/zinc/05/54/19/402055419.db2.gz	OPXNAJWEEKDBCE-ZVZYQTTQSA-N	1	2	317.385	2.350	40	30		DEEBLO
C=CCO[C@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1ccc2c(c1)OCO2	ZINC000096065690	402055422	/nfs/dbraw/zinc/05/54/22/402055422.db2.gz	OPXNAJWEEKDBCE-ZVZYQTTQSA-N	1	2	317.385	2.350	40	30		DEEBLO
N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC=CCC3)CC2)cc1	ZINC000077641937	355217662	/nfs/dbraw/zinc/21/76/62/355217662.db2.gz	DCTAZRMBXCKYAH-GOSISDBHSA-N	1	2	324.428	2.494	40	30		DEEBLO
Cc1cc(=O)[nH]c(N[NH+]=Cc2ccc(N(C)C)cc2Cl)n1	ZINC000017014820	401820232	/nfs/dbraw/zinc/82/02/32/401820232.db2.gz	WRMOELYPZBAENA-LZYBPNLTSA-N	1	2	305.769	2.244	40	30		DEEBLO
OCC[N@H+](Cc1ccccc1)C1(C#Cc2ccccc2)COC1	ZINC000306145618	403950274	/nfs/dbraw/zinc/95/02/74/403950274.db2.gz	KSPCXXSHPVOIOM-UHFFFAOYSA-N	1	2	307.393	2.302	40	30		DEEBLO
OCC[N@@H+](Cc1ccccc1)C1(C#Cc2ccccc2)COC1	ZINC000306145618	403950282	/nfs/dbraw/zinc/95/02/82/403950282.db2.gz	KSPCXXSHPVOIOM-UHFFFAOYSA-N	1	2	307.393	2.302	40	30		DEEBLO
CCNC(=S)N/[NH+]=C/c1ccc(N2CCCC2)cc1OC	ZINC000033666632	354160236	/nfs/dbraw/zinc/16/02/36/354160236.db2.gz	SFUWZEJPXCEFPP-GZTJUZNOSA-N	1	2	306.435	2.113	40	30		DEEBLO
CCN1C(=O)CS/C1=[NH+]/c1ccc(N2CCOCC2)cc1	ZINC000096447798	285172103	/nfs/dbraw/zinc/17/21/03/285172103.db2.gz	SLYHBUCOBHVAGO-FOCLMDBBSA-N	1	2	305.403	2.106	40	30		DEEBLO