smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)[nH+]c1	ZINC000185714217	329330368	/nfs/dbraw/zinc/33/03/68/329330368.db2.gz	JMLLSWMPWYYMGY-NVXWUHKLSA-N	2	1	298.434	3.031	10	30		CGEEMP
CN(C)C=[NH+]c1sc2c(c1C#N)CC(C)(C)[NH2+]C2(C)C	ZINC000254401006	377705555	/nfs/dbraw/zinc/70/55/55/377705555.db2.gz	SYKJYPYTDCYZGE-UHFFFAOYSA-N	2	1	290.436	3.001	10	30		CGEEMP
Cn1cc[nH+]c1CC1CC[NH+](CC(C)(C)CCC#N)CC1	ZINC000121809598	392416106	/nfs/dbraw/zinc/41/61/06/392416106.db2.gz	WQLLLKSOCAHNHD-UHFFFAOYSA-N	2	1	288.439	3.005	10	30		CGEEMP
Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)[nH+]1	ZINC000185713884	329330455	/nfs/dbraw/zinc/33/04/55/329330455.db2.gz	PJIZWNHOEUDBQT-NVXWUHKLSA-N	2	1	298.434	3.031	10	30		CGEEMP
C=CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12	ZINC000309824716	618966962	/nfs/dbraw/zinc/96/69/62/618966962.db2.gz	AYMVMFPQKVZCPI-FGTMMUONSA-N	2	1	270.420	3.063	10	30		CGEEMP
N#CCC[NH2+]CCCNc1cc[nH+]c2cc(Cl)ccc12	ZINC000584651261	346704980	/nfs/dbraw/zinc/70/49/80/346704980.db2.gz	MGWTXZUMNJFLQK-UHFFFAOYSA-N	2	1	288.782	3.193	10	30		CGEEMP
C=CCCCCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1	ZINC000193338000	375863797	/nfs/dbraw/zinc/86/37/97/375863797.db2.gz	AMYUEVFMJMMQNC-UHFFFAOYSA-N	2	1	275.440	3.421	10	30		CGEEMP
CCCCCCC[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1	ZINC000182903242	329245927	/nfs/dbraw/zinc/24/59/27/329245927.db2.gz	GSHBNOBIGQTHKS-SFHVURJKSA-N	2	1	295.515	3.059	10	30		CGEEMP
CCCCCCC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1	ZINC000182903242	329245928	/nfs/dbraw/zinc/24/59/28/329245928.db2.gz	GSHBNOBIGQTHKS-SFHVURJKSA-N	2	1	295.515	3.059	10	30		CGEEMP
CCCCCCC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1	ZINC000182903242	329245930	/nfs/dbraw/zinc/24/59/30/329245930.db2.gz	GSHBNOBIGQTHKS-SFHVURJKSA-N	2	1	295.515	3.059	10	30		CGEEMP
C=CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000390870016	542612300	/nfs/dbraw/zinc/61/23/00/542612300.db2.gz	JBQWBEHTLCEETF-AYHJJNSGSA-N	2	1	270.420	3.348	10	30		CGEEMP
Cc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)[nH+]c1	ZINC000185714236	329330567	/nfs/dbraw/zinc/33/05/67/329330567.db2.gz	JMLLSWMPWYYMGY-WBVHZDCISA-N	2	1	298.434	3.031	10	30		CGEEMP
C=CC[NH+](CC=C)Cc1cc(C[NH2+]C2CC2)oc1C	ZINC000052376718	518771362	/nfs/dbraw/zinc/77/13/62/518771362.db2.gz	WCVDMFACFOERHO-UHFFFAOYSA-N	2	1	260.381	3.014	10	30		CGEEMP
C=CC[C@@]1([NH2+]CCc2ccccc2)C[C@H](C)[N@H+](C)C[C@@H]1C	ZINC000013454249	368653520	/nfs/dbraw/zinc/65/35/20/368653520.db2.gz	HOFFNRHAINUGIB-JENIJYKNSA-N	2	1	286.463	3.494	10	30		CGEEMP
C=CC[NH+](CC=C)Cc1cc(C[NH2+]CC(C)C)co1	ZINC000052376603	518770951	/nfs/dbraw/zinc/77/09/51/518770951.db2.gz	VMVADSKBDCDYMQ-UHFFFAOYSA-N	2	1	262.397	3.199	10	30		CGEEMP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1	ZINC000192009350	130350386	/nfs/dbraw/zinc/35/03/86/130350386.db2.gz	NLTKETZFESGXIG-SFHVURJKSA-N	2	1	293.414	3.134	10	30		CGEEMP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1	ZINC000192009350	130350389	/nfs/dbraw/zinc/35/03/89/130350389.db2.gz	NLTKETZFESGXIG-SFHVURJKSA-N	2	1	293.414	3.134	10	30		CGEEMP
C[NH+](CCC#N)CCCCCCCC[N@H+](C)CCC#N	ZINC000584644206	346703315	/nfs/dbraw/zinc/70/33/15/346703315.db2.gz	QSHZUJATNZBRDL-UHFFFAOYSA-N	2	1	278.444	3.018	10	30		CGEEMP
Cc1cccc(N2CCC([NH2+][C@H]3CCC[C@H](C#N)C3)CC2)[nH+]1	ZINC000185713866	329330325	/nfs/dbraw/zinc/33/03/25/329330325.db2.gz	PJIZWNHOEUDBQT-RDJZCZTQSA-N	2	1	298.434	3.031	10	30		CGEEMP
C=CC[C@@]1([NH2+]CCc2ccccc2)C[C@@H](C)[N@H+](C)C[C@@H]1C	ZINC000013454245	368653392	/nfs/dbraw/zinc/65/33/92/368653392.db2.gz	HOFFNRHAINUGIB-YQVWRLOYSA-N	2	1	286.463	3.494	10	30		CGEEMP
Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)[nH+]c1	ZINC000185714183	329330328	/nfs/dbraw/zinc/33/03/28/329330328.db2.gz	JMLLSWMPWYYMGY-DOTOQJQBSA-N	2	1	298.434	3.031	10	30		CGEEMP
C=CC[NH+](CC=C)Cc1cc(C)c(C[NH2+]C(C)C)o1	ZINC000052376792	518770653	/nfs/dbraw/zinc/77/06/53/518770653.db2.gz	JPHGISHRJVBRGU-UHFFFAOYSA-N	2	1	262.397	3.260	10	30		CGEEMP
CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)CCC#N	ZINC000130775407	371058495	/nfs/dbraw/zinc/05/84/95/371058495.db2.gz	KYACSUFLIDQMMD-OAHLLOKOSA-N	2	1	265.445	3.026	10	30		CGEEMP
CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)CCC#N	ZINC000130775407	371058501	/nfs/dbraw/zinc/05/85/01/371058501.db2.gz	KYACSUFLIDQMMD-OAHLLOKOSA-N	2	1	265.445	3.026	10	30		CGEEMP
CC(C)(C#N)CCCC[NH+]1CCC([NH+]2CCCC2)CC1	ZINC000364349491	335898689	/nfs/dbraw/zinc/89/86/89/335898689.db2.gz	CMVLQUCHQYDJHQ-UHFFFAOYSA-N	2	1	277.456	3.267	10	30		CGEEMP
CCCCCCC[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1	ZINC000182903263	329245960	/nfs/dbraw/zinc/24/59/60/329245960.db2.gz	GSHBNOBIGQTHKS-GOSISDBHSA-N	2	1	295.515	3.059	10	30		CGEEMP
CCCCCCC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1	ZINC000182903263	329245962	/nfs/dbraw/zinc/24/59/62/329245962.db2.gz	GSHBNOBIGQTHKS-GOSISDBHSA-N	2	1	295.515	3.059	10	30		CGEEMP
CCCCCCC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1	ZINC000182903263	329245963	/nfs/dbraw/zinc/24/59/63/329245963.db2.gz	GSHBNOBIGQTHKS-GOSISDBHSA-N	2	1	295.515	3.059	10	30		CGEEMP
Cc1ccc(N2CCC([NH2+][C@H]3CCC[C@H](C#N)C3)CC2)[nH+]c1	ZINC000185714196	329330575	/nfs/dbraw/zinc/33/05/75/329330575.db2.gz	JMLLSWMPWYYMGY-RDJZCZTQSA-N	2	1	298.434	3.031	10	30		CGEEMP
C=C(C)C[N@H+](CC)Cc1cc(C[NH2+]C(C)C)c(C)o1	ZINC000052423313	518600215	/nfs/dbraw/zinc/60/02/15/518600215.db2.gz	DARRAOVYADXXDU-UHFFFAOYSA-N	2	1	264.413	3.484	10	30		CGEEMP
Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1cccc(C#N)c1	ZINC000248942319	377432321	/nfs/dbraw/zinc/43/23/21/377432321.db2.gz	OFOIFPGGWVAUCC-KDOFPFPSSA-N	2	1	294.402	3.289	10	30		CGEEMP
Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1cccc(C#N)c1	ZINC000248942324	377432801	/nfs/dbraw/zinc/43/28/01/377432801.db2.gz	OFOIFPGGWVAUCC-RDTXWAMCSA-N	2	1	294.402	3.289	10	30		CGEEMP
CCCCCCCC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000174545057	329159955	/nfs/dbraw/zinc/15/99/55/329159955.db2.gz	PNYMAMIIXSZSCX-GOSISDBHSA-N	2	1	295.515	3.059	10	30		CGEEMP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1	ZINC000192009345	536174108	/nfs/dbraw/zinc/17/41/08/536174108.db2.gz	NLTKETZFESGXIG-GOSISDBHSA-N	2	1	293.414	3.134	10	30		CGEEMP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1	ZINC000192009345	536174110	/nfs/dbraw/zinc/17/41/10/536174110.db2.gz	NLTKETZFESGXIG-GOSISDBHSA-N	2	1	293.414	3.134	10	30		CGEEMP
CCCCCCCC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000174545041	329159933	/nfs/dbraw/zinc/15/99/33/329159933.db2.gz	PNYMAMIIXSZSCX-SFHVURJKSA-N	2	1	295.515	3.059	10	30		CGEEMP
Cn1cc[nH+]c1CC1CC[NH+](CCCC(C)(C)C#N)CC1	ZINC000174850586	329164042	/nfs/dbraw/zinc/16/40/42/329164042.db2.gz	DBEFHPDKGQLINO-UHFFFAOYSA-N	2	1	288.439	3.005	10	30		CGEEMP
Cc1cccc(N2CCC([NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)[nH+]1	ZINC000185713901	329330522	/nfs/dbraw/zinc/33/05/22/329330522.db2.gz	PJIZWNHOEUDBQT-WBVHZDCISA-N	2	1	298.434	3.031	10	30		CGEEMP
N#CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000346831847	335371066	/nfs/dbraw/zinc/37/10/66/335371066.db2.gz	MAOGFNUFIMJOKM-AYHJJNSGSA-N	2	1	283.419	3.075	10	30		CGEEMP
C#CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000192910214	526715371	/nfs/dbraw/zinc/71/53/71/526715371.db2.gz	ALTDIPCUSNCUAG-YQQQUEKLSA-N	2	1	282.431	3.185	10	30		CGEEMP