smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000248827193	131116805	/nfs/dbraw/zinc/11/68/05/131116805.db2.gz	GNRGSHHPSHTUCV-BJWYYQGGSA-N	2	0	256.393	2.958	40	30		CFEBRP
C[C@H](C[C@@H](C#CC[NH+](C)C)[NH+](C)C)CC(C)(C)C	ZINC000001593746	371685345	/nfs/dbraw/zinc/68/53/45/371685345.db2.gz	HEZYTKNQCGFASS-HUUCEWRRSA-N	2	0	252.446	2.944	40	30		CFEBRP
C=CC[N@@H+]1CCC[C@]2(CC1)C[NH2+]Cc1ccccc1O2	ZINC000019015192	372147627	/nfs/dbraw/zinc/14/76/27/372147627.db2.gz	BFVGXAHDYQXYDW-KRWDZBQOSA-N	2	0	272.392	2.579	40	30		CFEBRP
C[NH+](C)C1CC2(C1)CC[N@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC000108525091	186220380	/nfs/dbraw/zinc/22/03/80/186220380.db2.gz	VDGFSRDWMFSCNO-UHFFFAOYSA-N	2	0	287.382	2.613	40	30		CFEBRP
C[N+](C)(C)CCCC#CC[N+]1(C)CCc2ccccc2C1	ZINC000001571284	280177616	/nfs/dbraw/zinc/17/76/16/280177616.db2.gz	ZCMAMZGEGIODHN-UHFFFAOYSA-N	2	0	286.463	2.679	40	30		CFEBRP
CNC(=[NH2+])NC(=[NH2+])Nc1cc2ccccc2c2ccccc12	ZINC000005832159	170145127	/nfs/dbraw/zinc/14/51/27/170145127.db2.gz	HPIFGVIJVOGIGI-UHFFFAOYSA-N	2	0	291.358	2.683	40	30	in-vitro	CFEBRP
CC1(C)C[C@@H]([NH2+]CCC#N)C[C@@](C)(C[NH2+]CCC#N)C1	ZINC000033611225	281317024	/nfs/dbraw/zinc/31/70/24/281317024.db2.gz	HEUAYLFWKXGPEA-GDBMZVCRSA-N	2	0	276.428	2.578	40	30		CFEBRP
C=CC[N@@H+]1CCC[C@@]2(CC1)C[NH2+]Cc1ccccc1O2	ZINC000019015189	372147471	/nfs/dbraw/zinc/14/74/71/372147471.db2.gz	BFVGXAHDYQXYDW-QGZVFWFLSA-N	2	0	272.392	2.579	40	30		CFEBRP
C[NH+](C)CCC[C@@](C#N)(CC[NH+](C)C)c1ccccc1	ZINC000006426282	289119117	/nfs/dbraw/zinc/11/91/17/289119117.db2.gz	ZWSLGGLYOUGQKB-KRWDZBQOSA-N	2	0	273.424	2.741	40	30		CFEBRP
CCCCNC(=[NH2+])SCCSC(=[NH2+])NCCCC	ZINC000017289770	372131209	/nfs/dbraw/zinc/13/12/09/372131209.db2.gz	YIRMUFSXSHKNFI-UHFFFAOYSA-N	2	0	290.502	2.682	40	30		CFEBRP
C[C@@H](C[C@H](C#CC[NH+](C)C)[NH+](C)C)CC(C)(C)C	ZINC000001593747	371684992	/nfs/dbraw/zinc/68/49/92/371684992.db2.gz	HEZYTKNQCGFASS-GJZGRUSLSA-N	2	0	252.446	2.944	40	30		CFEBRP
CC1(C)C[C@@H]([NH2+]CCC#N)C[C@](C)(C[NH2+]CCC#N)C1	ZINC000033611227	372498688	/nfs/dbraw/zinc/49/86/88/372498688.db2.gz	HEUAYLFWKXGPEA-ZBFHGGJFSA-N	2	0	276.428	2.578	40	30		CFEBRP
C[C@@H](C[C@@H](C#CC[NH+](C)C)[NH+](C)C)CC(C)(C)C	ZINC000001593745	371684682	/nfs/dbraw/zinc/68/46/82/371684682.db2.gz	HEZYTKNQCGFASS-LSDHHAIUSA-N	2	0	252.446	2.944	40	30		CFEBRP
CCCCCCCCCCCCNC(=[NH2+])NC(N)=[NH2+]	ZINC000095832083	185029906	/nfs/dbraw/zinc/02/99/06/185029906.db2.gz	KOUTYMWBZYMGBR-UHFFFAOYSA-N	2	0	269.437	2.915	40	30		CFEBRP
CCCCCCNC(=[NH2+])NC(=[NH2+])Nc1ccc(Cl)cc1	ZINC000005782449	393462702	/nfs/dbraw/zinc/46/27/02/393462702.db2.gz	SVTOENGNWAMDOJ-UHFFFAOYSA-N	2	0	295.818	2.980	40	30	in-vitro	CFEBRP
C[C@H](C[C@H](C#CC[NH+](C)C)[NH+](C)C)CC(C)(C)C	ZINC000001593748	371684521	/nfs/dbraw/zinc/68/45/21/371684521.db2.gz	HEZYTKNQCGFASS-CABCVRRESA-N	2	0	252.446	2.944	40	30		CFEBRP
CC1(C)C[C@H]([NH2+]CCC#N)C[C@@](C)(C[NH2+]CCC#N)C1	ZINC000033611226	372497799	/nfs/dbraw/zinc/49/77/99/372497799.db2.gz	HEUAYLFWKXGPEA-GOEBONIOSA-N	2	0	276.428	2.578	40	30		CFEBRP
CC[N+](CC)(CC)CC#CC[N+](CC)(CC)CC	ZINC000001732651	371703432	/nfs/dbraw/zinc/70/34/32/371703432.db2.gz	XLJLFPODYOZRHG-UHFFFAOYSA-N	2	0	254.462	2.743	40	30		CFEBRP
CC1(C)C[C@H]([NH2+]CCC#N)C[C@](C)(C[NH2+]CCC#N)C1	ZINC000033611228	281356901	/nfs/dbraw/zinc/35/69/01/281356901.db2.gz	HEUAYLFWKXGPEA-HOCLYGCPSA-N	2	0	276.428	2.578	40	30		CFEBRP
[NH2+]=C(NC(=[NH2+])NC1CCCCC1)Nc1ccc(Cl)cc1	ZINC000001621241	534972907	/nfs/dbraw/zinc/97/29/07/534972907.db2.gz	WUPJXRQWQRBGOC-UHFFFAOYSA-N	2	0	293.802	2.523	40	30		CFEBRP
C=CC[N+](C)(CC=C)CC[N+](C)(CC=C)CC=C	ZINC000001683759	371697444	/nfs/dbraw/zinc/69/74/44/371697444.db2.gz	FUVQVPUKTORVGX-UHFFFAOYSA-N	2	0	250.430	2.624	40	30		CFEBRP
C[NH+](C)CCC[C@](C#N)(CC[NH+](C)C)c1ccccc1	ZINC000001593309	289119188	/nfs/dbraw/zinc/11/91/88/289119188.db2.gz	ZWSLGGLYOUGQKB-QGZVFWFLSA-N	2	0	273.424	2.741	40	30		CFEBRP
CCc1ccc(C)[n+](CC#CC[n+]2cc(CC)ccc2C)c1	ZINC000006489866	523901757	/nfs/dbraw/zinc/90/17/57/523901757.db2.gz	YXCAAKMVAHPXNY-UHFFFAOYSA-N	2	0	294.442	2.707	40	30		CFEBRP
CC(=O)C/C(C)=[NH+]\CCCC/[NH+]=C(/C)CC(C)=O	ZINC000002046557	371715571	/nfs/dbraw/zinc/71/55/71/371715571.db2.gz	UDVOETZXBOGXTH-NFLUSIDLSA-N	2	0	252.358	2.647	40	30		CFEBRP
CC(=O)C/C(C)=[NH+]/CCCC/[NH+]=C(\C)CC(C)=O	ZINC000104327379	375778417	/nfs/dbraw/zinc/77/84/17/375778417.db2.gz	UDVOETZXBOGXTH-JOBJLJCHSA-N	2	0	252.358	2.647	40	30		CFEBRP