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)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCO1	ZINC000160792916	396075394	/nfs/dbraw/zinc/07/53/94/396075394.db2.gz	VGHWRXBLNYUGIJ-GDBMZVCRSA-N	1	3	324.469	0.975	20	70		DCIDHO
CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCO1	ZINC000160792916	396075396	/nfs/dbraw/zinc/07/53/96/396075396.db2.gz	VGHWRXBLNYUGIJ-GDBMZVCRSA-N	1	3	324.469	0.975	20	70		DCIDHO
[NH3+][C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1	ZINC000160302309	527362686	/nfs/dbraw/zinc/36/26/86/527362686.db2.gz	CUOBKJHMZZBDSD-OAHLLOKOSA-N	1	3	302.422	0.758	20	70		DCIDHO
CN(C)C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCO1	ZINC000160793049	396074887	/nfs/dbraw/zinc/07/48/87/396074887.db2.gz	VGHWRXBLNYUGIJ-ZBFHGGJFSA-N	1	3	324.469	0.975	20	70		DCIDHO
CN(C)C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCO1	ZINC000160793049	396074889	/nfs/dbraw/zinc/07/48/89/396074889.db2.gz	VGHWRXBLNYUGIJ-ZBFHGGJFSA-N	1	3	324.469	0.975	20	70		DCIDHO
C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H](CN)C1CC1	ZINC000160005226	158352707	/nfs/dbraw/zinc/35/27/07/158352707.db2.gz	ONNHPOZYVHPHHW-CQSZACIVSA-N	1	3	313.423	0.382	20	70		DCIDHO
C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H](CN)C1CC1	ZINC000160005226	158352709	/nfs/dbraw/zinc/35/27/09/158352709.db2.gz	ONNHPOZYVHPHHW-CQSZACIVSA-N	1	3	313.423	0.382	20	70		DCIDHO
CC[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1	ZINC000161076772	285585187	/nfs/dbraw/zinc/58/51/87/285585187.db2.gz	DSPNMOPKNUKPLS-OAHLLOKOSA-N	1	3	324.469	0.245	20	70		DCIDHO
CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1cscn1	ZINC000159472574	291234947	/nfs/dbraw/zinc/23/49/47/291234947.db2.gz	CNKBZBYXIPTTID-UHFFFAOYSA-N	1	3	313.471	0.820	20	70		DCIDHO
C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H](CN)C1CC1	ZINC000160005098	158352416	/nfs/dbraw/zinc/35/24/16/158352416.db2.gz	ONNHPOZYVHPHHW-AWEZNQCLSA-N	1	3	313.423	0.382	20	70		DCIDHO
C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H](CN)C1CC1	ZINC000160005098	158352419	/nfs/dbraw/zinc/35/24/19/158352419.db2.gz	ONNHPOZYVHPHHW-AWEZNQCLSA-N	1	3	313.423	0.382	20	70		DCIDHO
COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000160753087	396075065	/nfs/dbraw/zinc/07/50/65/396075065.db2.gz	ZHQPYSGFBYMQQW-OAHLLOKOSA-N	1	3	312.458	0.690	20	70		DCIDHO
COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000160753087	396075067	/nfs/dbraw/zinc/07/50/67/396075067.db2.gz	ZHQPYSGFBYMQQW-OAHLLOKOSA-N	1	3	312.458	0.690	20	70		DCIDHO
CCN1CCCN(C(=O)NCC[N@H+](C)CCCOC)CC1	ZINC000159908470	396071703	/nfs/dbraw/zinc/07/17/03/396071703.db2.gz	JFTDFKIEENIBRB-UHFFFAOYSA-N	1	3	300.447	0.692	20	70		DCIDHO
CCN1CCCN(C(=O)NCC[N@@H+](C)CCCOC)CC1	ZINC000159908470	396071708	/nfs/dbraw/zinc/07/17/08/396071708.db2.gz	JFTDFKIEENIBRB-UHFFFAOYSA-N	1	3	300.447	0.692	20	70		DCIDHO
COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000160753210	396074946	/nfs/dbraw/zinc/07/49/46/396074946.db2.gz	ZHQPYSGFBYMQQW-HNNXBMFYSA-N	1	3	312.458	0.690	20	70		DCIDHO
COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000160753210	396074949	/nfs/dbraw/zinc/07/49/49/396074949.db2.gz	ZHQPYSGFBYMQQW-HNNXBMFYSA-N	1	3	312.458	0.690	20	70		DCIDHO
CCN1CCC(NC(=O)N2CCC([N@H+](C)CCO)CC2)CC1	ZINC000161284787	158357340	/nfs/dbraw/zinc/35/73/40/158357340.db2.gz	MNNRQKXEYRADJB-UHFFFAOYSA-N	1	3	312.458	0.569	20	70		DCIDHO
CCN1CCC(NC(=O)N2CCC([N@@H+](C)CCO)CC2)CC1	ZINC000161284787	158357344	/nfs/dbraw/zinc/35/73/44/158357344.db2.gz	MNNRQKXEYRADJB-UHFFFAOYSA-N	1	3	312.458	0.569	20	70		DCIDHO
CN(C)C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCO1	ZINC000160793180	396075040	/nfs/dbraw/zinc/07/50/40/396075040.db2.gz	VGHWRXBLNYUGIJ-GOEBONIOSA-N	1	3	324.469	0.975	20	70		DCIDHO
CN(C)C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCO1	ZINC000160793180	396075043	/nfs/dbraw/zinc/07/50/43/396075043.db2.gz	VGHWRXBLNYUGIJ-GOEBONIOSA-N	1	3	324.469	0.975	20	70		DCIDHO
CCN1CCCN(C(=O)NCCC[N@H+](C)CCOC)CC1	ZINC000159668148	396069892	/nfs/dbraw/zinc/06/98/92/396069892.db2.gz	KQLHEYHVGICGIX-UHFFFAOYSA-N	1	3	300.447	0.692	20	70		DCIDHO
CCN1CCCN(C(=O)NCCC[N@@H+](C)CCOC)CC1	ZINC000159668148	396069893	/nfs/dbraw/zinc/06/98/93/396069893.db2.gz	KQLHEYHVGICGIX-UHFFFAOYSA-N	1	3	300.447	0.692	20	70		DCIDHO
CN(C)C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCO1	ZINC000160793309	396074985	/nfs/dbraw/zinc/07/49/85/396074985.db2.gz	VGHWRXBLNYUGIJ-HOCLYGCPSA-N	1	3	324.469	0.975	20	70		DCIDHO
CN(C)C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCO1	ZINC000160793309	396074988	/nfs/dbraw/zinc/07/49/88/396074988.db2.gz	VGHWRXBLNYUGIJ-HOCLYGCPSA-N	1	3	324.469	0.975	20	70		DCIDHO
CC[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1	ZINC000161076918	396074869	/nfs/dbraw/zinc/07/48/69/396074869.db2.gz	DSPNMOPKNUKPLS-HNNXBMFYSA-N	1	3	324.469	0.245	20	70		DCIDHO