smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](Cc2cc3ccccc3o2)C1	ZINC000004237326	521932820	/nfs/dbraw/zinc/93/28/20/521932820.db2.gz	IOEMLMDQEKOCQZ-NZQKXSOJSA-N	1	3	453.586	4.942	40	0	biogenic,in-vitro	JJABHO
CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2cc3ccccc3o2)C1	ZINC000004237326	521932830	/nfs/dbraw/zinc/93/28/30/521932830.db2.gz	IOEMLMDQEKOCQZ-NZQKXSOJSA-N	1	3	453.586	4.942	40	0	biogenic,in-vitro	JJABHO
O[C@H](CCCCCCCC[C@H](O)C[N@@H+]1CCc2ccccc2C1)CN1CCc2ccccc2C1	ZINC000004411125	527683179	/nfs/dbraw/zinc/68/31/79/527683179.db2.gz	JRKFQQBGGPUQDC-RNPORBBMSA-N	1	3	464.694	4.946	40	0		JJABHO
O[C@H](CCCCCCCC[C@H](O)C[N@H+]1CCc2ccccc2C1)CN1CCc2ccccc2C1	ZINC000004411125	527683181	/nfs/dbraw/zinc/68/31/81/527683181.db2.gz	JRKFQQBGGPUQDC-RNPORBBMSA-N	1	3	464.694	4.946	40	0		JJABHO
O[C@H](CCCCCCCC[C@H](O)CN1CCc2ccccc2C1)C[N@@H+]1CCc2ccccc2C1	ZINC000004411125	527683182	/nfs/dbraw/zinc/68/31/82/527683182.db2.gz	JRKFQQBGGPUQDC-RNPORBBMSA-N	1	3	464.694	4.946	40	0		JJABHO
O[C@H](CCCCCCCC[C@H](O)CN1CCc2ccccc2C1)C[N@H+]1CCc2ccccc2C1	ZINC000004411125	527683183	/nfs/dbraw/zinc/68/31/83/527683183.db2.gz	JRKFQQBGGPUQDC-RNPORBBMSA-N	1	3	464.694	4.946	40	0		JJABHO
CCN(Cc1ccnc(N2CCCCC2)n1)[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1	ZINC000257238082	570119466	/nfs/dbraw/zinc/11/94/66/570119466.db2.gz	HJMUJLXHMMBVEX-AREMUKBSSA-N	1	3	463.670	4.503	40	0		JJABHO
CCN(Cc1ccnc(N2CCCCC2)n1)[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1	ZINC000257238083	570119644	/nfs/dbraw/zinc/11/96/44/570119644.db2.gz	HJMUJLXHMMBVEX-SANMLTNESA-N	1	3	463.670	4.503	40	0		JJABHO
O[C@@H](CCCCCCCC[C@H](O)C[N@@H+]1CCc2ccccc2C1)CN1CCc2ccccc2C1	ZINC000004411126	527645501	/nfs/dbraw/zinc/64/55/01/527645501.db2.gz	JRKFQQBGGPUQDC-KYJUHHDHSA-N	1	3	464.694	4.946	40	0		JJABHO
O[C@@H](CCCCCCCC[C@H](O)C[N@H+]1CCc2ccccc2C1)CN1CCc2ccccc2C1	ZINC000004411126	527645505	/nfs/dbraw/zinc/64/55/05/527645505.db2.gz	JRKFQQBGGPUQDC-KYJUHHDHSA-N	1	3	464.694	4.946	40	0		JJABHO
CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](Cc2cn(C)c3ccccc23)C1	ZINC000003841851	194363700	/nfs/dbraw/zinc/36/37/00/194363700.db2.gz	XKBCPYGEKQNKHV-JTHBVZDNSA-N	1	3	466.629	4.688	40	0	biogenic,in-vitro	JJABHO
CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2cn(C)c3ccccc23)C1	ZINC000003841851	194363703	/nfs/dbraw/zinc/36/37/03/194363703.db2.gz	XKBCPYGEKQNKHV-JTHBVZDNSA-N	1	3	466.629	4.688	40	0	biogenic,in-vitro	JJABHO
CCC(CC)(C(=O)Nc1ccc2nc(C)cc(N)c2c1)C(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1	ZINC000001646554	194130475	/nfs/dbraw/zinc/13/04/75/194130475.db2.gz	JKILEGTUUFNTJU-UHFFFAOYSA-N	1	3	470.577	4.948	40	0		JJABHO
C[NH+](C)[C@H]1CC2(CCN(Cc3cc(C(C)(C)C)ccc3OCc3ccccc3)CC2)OC[C@]1(C)O	ZINC000257303176	570139360	/nfs/dbraw/zinc/13/93/60/570139360.db2.gz	SGBWCTJUYQAFIV-YTMVLYRLSA-N	1	3	480.693	4.999	40	0		JJABHO
O=C1O[C@]2(CN1c1ccc(F)cc1)CCCN(Cc1ccccc1OCC[NH+]1CCCC1)CC2	ZINC000257333389	570148540	/nfs/dbraw/zinc/14/85/40/570148540.db2.gz	YBINHMWCIXSAJU-HHHXNRCGSA-N	1	3	467.585	4.682	40	0		JJABHO
CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2cc(O)c(OC)cc21	ZINC000015150941	555880677	/nfs/dbraw/zinc/88/06/77/555880677.db2.gz	DTGZHCFJNDAHEN-WFHHURNRSA-N	1	3	466.622	4.640	40	0	biogenic,in-vitro	JJABHO
COC1(COc2ccc(C)cc2C)CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1	ZINC000257286414	570134643	/nfs/dbraw/zinc/13/46/43/570134643.db2.gz	PLNGGTKPJTXYFP-UHFFFAOYSA-N	1	3	452.639	4.838	40	0		JJABHO
CCCC(C)(C(=O)Nc1ccc2nc(C)cc(N)c2c1)C(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1	ZINC000001646558	194130514	/nfs/dbraw/zinc/13/05/14/194130514.db2.gz	ZCTZBQHPRYRRCE-UHFFFAOYSA-N	1	3	470.577	4.948	40	0		JJABHO
CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@@H]1[NH2+]CCc2cc(O)c(OC)cc21	ZINC000252078476	560040804	/nfs/dbraw/zinc/04/08/04/560040804.db2.gz	DTGZHCFJNDAHEN-LFUSFCIXSA-N	1	3	466.622	4.640	40	0	biogenic,in-vitro	JJABHO
CCC(C)(C(=O)Nc1ccc2nc(C)cc(N)c2c1)C(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1	ZINC000001646555	194130639	/nfs/dbraw/zinc/13/06/39/194130639.db2.gz	UNVMWDDPQYABQX-UHFFFAOYSA-N	1	3	456.550	4.558	40	0		JJABHO
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2cc(O)c(OC)cc21	ZINC000003871989	194365547	/nfs/dbraw/zinc/36/55/47/194365547.db2.gz	DTGZHCFJNDAHEN-OZEXIGSWSA-N	1	3	466.622	4.640	40	0	biogenic,in-vitro	JJABHO
C[NH+](C)[C@H]1CC2(CCN(Cc3ccc(C(C)(C)C)cc3OCc3ccccc3)CC2)OC[C@]1(C)O	ZINC000257235671	570118888	/nfs/dbraw/zinc/11/88/88/570118888.db2.gz	GYVWUWDOKMKZMO-YTMVLYRLSA-N	1	3	480.693	4.999	40	0		JJABHO
COC1(COc2ccc(Cl)c(Cl)c2)CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000257243000	570121072	/nfs/dbraw/zinc/12/10/72/570121072.db2.gz	IFDJXLYGRZXYFS-UHFFFAOYSA-N	1	3	467.437	4.994	40	0		JJABHO
O=C1O[C@@]2(CN1c1ccc(F)cc1)CCCN(Cc1ccccc1OCC[NH+]1CCCC1)CC2	ZINC000257333390	570148595	/nfs/dbraw/zinc/14/85/95/570148595.db2.gz	YBINHMWCIXSAJU-MHZLTWQESA-N	1	3	467.585	4.682	40	0		JJABHO
CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2cc(O)c(OC)cc21	ZINC000003871988	194365613	/nfs/dbraw/zinc/36/56/13/194365613.db2.gz	DTGZHCFJNDAHEN-YSFUMNCJSA-N	1	3	466.622	4.640	40	0	biogenic,in-vitro	JJABHO
CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@H]1[NH2+]CCc2cc(O)c(OC)cc21	ZINC000097974162	560053278	/nfs/dbraw/zinc/05/32/78/560053278.db2.gz	DTGZHCFJNDAHEN-POWYHZRHSA-N	1	3	466.622	4.640	40	0	biogenic,in-vitro	JJABHO
C[NH2+][C@H]1CC2(CCN(Cc3cc(C(C)(C)C)ccc3OCc3ccccc3)CC2)OC[C@]1(C)O	ZINC000257264025	570127640	/nfs/dbraw/zinc/12/76/40/570127640.db2.gz	LSODFOFPJAPOJK-XCZPVHLTSA-N	1	3	466.666	4.657	40	0		JJABHO