smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C(C)C	ZINC000036150945	518303867	/nfs/dbraw/zinc/30/38/67/518303867.db2.gz	WNHRMGIGBFXWLP-FQEVSTJZSA-N	1	1	413.518	2.399	10	30		HEEEMO
C=C[C@]12C=CC[N@H+]3CC[C@@]4(c5cc(OC(C)=O)ccc5NC(=O)[C@@]4(C(=O)OC)C1)[C@@H]32	ZINC000096023687	568685959	/nfs/dbraw/zinc/68/59/59/568685959.db2.gz	WNMYJNHYRVHLTP-XSEFMFLKSA-N	1	1	408.454	2.181	10	30		HEEEMO
C#CCOC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2ccc(C)cc2)CC1	ZINC000036340649	518305704	/nfs/dbraw/zinc/30/57/04/518305704.db2.gz	WGUQSBXNTQKQLP-QFIPXVFZSA-N	1	1	422.573	2.379	10	30		HEEEMO
Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](n2ncc(N3CCN(C)CC3)cc2=O)C1	ZINC000328603466	569417093	/nfs/dbraw/zinc/41/70/93/569417093.db2.gz	GCGJWGDLHAFXQN-NRFANRHFSA-N	1	1	406.534	2.012	10	30		HEEEMO
Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](n2ncc(N3CCN(C)CC3)cc2=O)C1	ZINC000328603466	569417094	/nfs/dbraw/zinc/41/70/94/569417094.db2.gz	GCGJWGDLHAFXQN-NRFANRHFSA-N	1	1	406.534	2.012	10	30		HEEEMO
C#CCOC[C@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2ccc(C)cc2)CC1	ZINC000036340651	518312277	/nfs/dbraw/zinc/31/22/77/518312277.db2.gz	WGUQSBXNTQKQLP-JOCHJYFZSA-N	1	1	422.573	2.379	10	30		HEEEMO
Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](n2ncc(N3CCN(C)CC3)cc2=O)C1	ZINC000328603468	569417025	/nfs/dbraw/zinc/41/70/25/569417025.db2.gz	GCGJWGDLHAFXQN-OAQYLSRUSA-N	1	1	406.534	2.012	10	30		HEEEMO
Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](n2ncc(N3CCN(C)CC3)cc2=O)C1	ZINC000328603468	569417026	/nfs/dbraw/zinc/41/70/26/569417026.db2.gz	GCGJWGDLHAFXQN-OAQYLSRUSA-N	1	1	406.534	2.012	10	30		HEEEMO
N#Cc1cc(C[N@H+]2CCC[C@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)ccc1F	ZINC000328605088	569417973	/nfs/dbraw/zinc/41/79/73/569417973.db2.gz	MHVJZRYUJKETCZ-SFHVURJKSA-N	1	1	411.481	2.052	10	30		HEEEMO
N#Cc1cc(C[N@@H+]2CCC[C@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)ccc1F	ZINC000328605088	569417974	/nfs/dbraw/zinc/41/79/74/569417974.db2.gz	MHVJZRYUJKETCZ-SFHVURJKSA-N	1	1	411.481	2.052	10	30		HEEEMO
C=CC[N@H+]1CC[C@@]23c4c5c(OC(C)=O)ccc4C[C@@H]1[C@@]2(OC(C)=O)CCC(=O)[C@@H]3O5	ZINC000077311522	568924064	/nfs/dbraw/zinc/92/40/64/568924064.db2.gz	HXBIBDFSLORHLJ-PVSGBFIBSA-N	1	1	411.454	2.092	10	30	in-vitro	HEEEMO
C=CC[N@@H+]1CC[C@@]23c4c5c(OC(C)=O)ccc4C[C@@H]1[C@@]2(OC(C)=O)CCC(=O)[C@@H]3O5	ZINC000077311522	568924066	/nfs/dbraw/zinc/92/40/66/568924066.db2.gz	HXBIBDFSLORHLJ-PVSGBFIBSA-N	1	1	411.454	2.092	10	30	in-vitro	HEEEMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C(C)C	ZINC000036150947	518311088	/nfs/dbraw/zinc/31/10/88/518311088.db2.gz	WNHRMGIGBFXWLP-HXUWFJFHSA-N	1	1	413.518	2.399	10	30		HEEEMO
N#Cc1cc(C[N@H+]2CCC[C@@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)ccc1F	ZINC000328605087	569417995	/nfs/dbraw/zinc/41/79/95/569417995.db2.gz	MHVJZRYUJKETCZ-GOSISDBHSA-N	1	1	411.481	2.052	10	30		HEEEMO
N#Cc1cc(C[N@@H+]2CCC[C@@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)ccc1F	ZINC000328605087	569417996	/nfs/dbraw/zinc/41/79/96/569417996.db2.gz	MHVJZRYUJKETCZ-GOSISDBHSA-N	1	1	411.481	2.052	10	30		HEEEMO