smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(CC#N)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1	ZINC001164754622	720916145	/nfs/dbraw/zinc/91/61/45/720916145.db2.gz	WKBSVRHLOWHBCE-AOYPEHQESA-N	2	2	431.584	3.606	20	30		IHEDLP
Cc1ccc(CC#N)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1	ZINC001164754622	720916148	/nfs/dbraw/zinc/91/61/48/720916148.db2.gz	WKBSVRHLOWHBCE-AOYPEHQESA-N	2	2	431.584	3.606	20	30		IHEDLP
Cc1ccc(CC#N)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1	ZINC001164754621	720915755	/nfs/dbraw/zinc/91/57/55/720915755.db2.gz	WKBSVRHLOWHBCE-AHWVRZQESA-N	2	2	431.584	3.606	20	30		IHEDLP
Cc1ccc(CC#N)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1	ZINC001164754621	720915764	/nfs/dbraw/zinc/91/57/64/720915764.db2.gz	WKBSVRHLOWHBCE-AHWVRZQESA-N	2	2	431.584	3.606	20	30		IHEDLP
Cc1ccc(CC#N)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1	ZINC001164754624	720917174	/nfs/dbraw/zinc/91/71/74/720917174.db2.gz	WKBSVRHLOWHBCE-RSXGOPAZSA-N	2	2	431.584	3.606	20	30		IHEDLP
Cc1ccc(CC#N)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1	ZINC001164754624	720917183	/nfs/dbraw/zinc/91/71/83/720917183.db2.gz	WKBSVRHLOWHBCE-RSXGOPAZSA-N	2	2	431.584	3.606	20	30		IHEDLP
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3ccc(C#N)cc31)CC2	ZINC001164782678	721457709	/nfs/dbraw/zinc/45/77/09/721457709.db2.gz	ATSWSUFQIQRUOT-HSZRJFAPSA-N	2	2	434.584	3.840	20	30		IHEDLP
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3ccc(C#N)cc31)CC2	ZINC001164782678	721457711	/nfs/dbraw/zinc/45/77/11/721457711.db2.gz	ATSWSUFQIQRUOT-HSZRJFAPSA-N	2	2	434.584	3.840	20	30		IHEDLP
Cc1ccc(CC#N)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1	ZINC001164754623	720917275	/nfs/dbraw/zinc/91/72/75/720917275.db2.gz	WKBSVRHLOWHBCE-AZGAKELHSA-N	2	2	431.584	3.606	20	30		IHEDLP
Cc1ccc(CC#N)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1	ZINC001164754623	720917282	/nfs/dbraw/zinc/91/72/82/720917282.db2.gz	WKBSVRHLOWHBCE-AZGAKELHSA-N	2	2	431.584	3.606	20	30		IHEDLP
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3ccc(C#N)cc31)CC2	ZINC001164782681	721457770	/nfs/dbraw/zinc/45/77/70/721457770.db2.gz	ATSWSUFQIQRUOT-QHCPKHFHSA-N	2	2	434.584	3.840	20	30		IHEDLP
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3ccc(C#N)cc31)CC2	ZINC001164782681	721457773	/nfs/dbraw/zinc/45/77/73/721457773.db2.gz	ATSWSUFQIQRUOT-QHCPKHFHSA-N	2	2	434.584	3.840	20	30		IHEDLP
Cc1[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1CC#N	ZINC001164750705	720916656	/nfs/dbraw/zinc/91/66/56/720916656.db2.gz	KCFSTPPYAICXAI-AZGAKELHSA-N	2	2	431.584	3.606	20	30		IHEDLP
Cc1[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1CC#N	ZINC001164750705	720916670	/nfs/dbraw/zinc/91/66/70/720916670.db2.gz	KCFSTPPYAICXAI-AZGAKELHSA-N	2	2	431.584	3.606	20	30		IHEDLP
N#Cc1c[nH]c2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12	ZINC001164756216	720904425	/nfs/dbraw/zinc/90/44/25/720904425.db2.gz	OHEIZZXHRAQFPQ-BKMJKUGQSA-N	2	2	442.567	3.585	20	30		IHEDLP
N#Cc1c[nH]c2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12	ZINC001164756216	720904431	/nfs/dbraw/zinc/90/44/31/720904431.db2.gz	OHEIZZXHRAQFPQ-BKMJKUGQSA-N	2	2	442.567	3.585	20	30		IHEDLP
N#Cc1c[nH]c2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12	ZINC001164756215	720903865	/nfs/dbraw/zinc/90/38/65/720903865.db2.gz	OHEIZZXHRAQFPQ-ATIYNZHBSA-N	2	2	442.567	3.585	20	30		IHEDLP
N#Cc1c[nH]c2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12	ZINC001164756215	720903876	/nfs/dbraw/zinc/90/38/76/720903876.db2.gz	OHEIZZXHRAQFPQ-ATIYNZHBSA-N	2	2	442.567	3.585	20	30		IHEDLP
Cc1[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1CC#N	ZINC001164750708	720916984	/nfs/dbraw/zinc/91/69/84/720916984.db2.gz	KCFSTPPYAICXAI-RSXGOPAZSA-N	2	2	431.584	3.606	20	30		IHEDLP
Cc1[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1CC#N	ZINC001164750708	720917001	/nfs/dbraw/zinc/91/70/01/720917001.db2.gz	KCFSTPPYAICXAI-RSXGOPAZSA-N	2	2	431.584	3.606	20	30		IHEDLP
N#Cc1c[nH]c2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12	ZINC001164756218	720904081	/nfs/dbraw/zinc/90/40/81/720904081.db2.gz	OHEIZZXHRAQFPQ-NVQXNPDNSA-N	2	2	442.567	3.585	20	30		IHEDLP
N#Cc1c[nH]c2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12	ZINC001164756218	720904087	/nfs/dbraw/zinc/90/40/87/720904087.db2.gz	OHEIZZXHRAQFPQ-NVQXNPDNSA-N	2	2	442.567	3.585	20	30		IHEDLP
N#Cc1c[nH]c2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12	ZINC001164756217	720903621	/nfs/dbraw/zinc/90/36/21/720903621.db2.gz	OHEIZZXHRAQFPQ-GJZUVCINSA-N	2	2	442.567	3.585	20	30		IHEDLP
N#Cc1c[nH]c2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12	ZINC001164756217	720903631	/nfs/dbraw/zinc/90/36/31/720903631.db2.gz	OHEIZZXHRAQFPQ-GJZUVCINSA-N	2	2	442.567	3.585	20	30		IHEDLP
Cc1[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1CC#N	ZINC001164750697	720915612	/nfs/dbraw/zinc/91/56/12/720915612.db2.gz	KCFSTPPYAICXAI-AHWVRZQESA-N	2	2	431.584	3.606	20	30		IHEDLP
Cc1[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1CC#N	ZINC001164750697	720915614	/nfs/dbraw/zinc/91/56/14/720915614.db2.gz	KCFSTPPYAICXAI-AHWVRZQESA-N	2	2	431.584	3.606	20	30		IHEDLP
Cc1[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1CC#N	ZINC001164750701	720917550	/nfs/dbraw/zinc/91/75/50/720917550.db2.gz	KCFSTPPYAICXAI-AOYPEHQESA-N	2	2	431.584	3.606	20	30		IHEDLP
Cc1[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1CC#N	ZINC001164750701	720917563	/nfs/dbraw/zinc/91/75/63/720917563.db2.gz	KCFSTPPYAICXAI-AOYPEHQESA-N	2	2	431.584	3.606	20	30		IHEDLP
N#CC(CC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1)(c1ccccc1)c1ccccc1	ZINC000000538198	557650751	/nfs/dbraw/zinc/65/07/51/557650751.db2.gz	IHEHEFLXQFOQJO-UHFFFAOYSA-N	2	2	430.596	3.692	20	30	world	IHEDLP