smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](CC(=O)NCC1CC[NH+](CCO)CC1)[C@@H]1CCSC1	ZINC000160009711	291237014	/nfs/dbraw/zinc/23/70/14/291237014.db2.gz	NXLPOKRXPWWQCX-CQSZACIVSA-N	2	0	315.483	0.244	20	70		DCIDRP
C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCO1	ZINC000160792916	396075389	/nfs/dbraw/zinc/07/53/89/396075389.db2.gz	VGHWRXBLNYUGIJ-GDBMZVCRSA-N	2	0	324.469	0.975	20	70		DCIDRP
CC[N@@H+]1CCCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1	ZINC000159831024	279285900	/nfs/dbraw/zinc/28/59/00/279285900.db2.gz	ROOLWZPFZYGWRX-HNNXBMFYSA-N	2	0	311.474	0.360	20	70		DCIDRP
CC[NH+]1CCN(CC(=O)N2CCC([NH2+]CC3CC3)CC2)CC1	ZINC000159837285	529136896	/nfs/dbraw/zinc/13/68/96/529136896.db2.gz	LOIOLRAOAZMVFI-UHFFFAOYSA-N	2	0	308.470	0.615	20	70		DCIDRP
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]2C[NH3+])CC1=O	ZINC000160166531	279305324	/nfs/dbraw/zinc/30/53/24/279305324.db2.gz	SWYRAQBFWHCRCQ-RBSFLKMASA-N	2	0	322.453	0.269	20	70		DCIDRP
C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1CN(C)CCO1	ZINC000160238211	545861442	/nfs/dbraw/zinc/86/14/42/545861442.db2.gz	MUSSECHFTQSRCT-JSGCOSHPSA-N	2	0	324.429	0.285	20	70		DCIDRP
[NH3+][C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000160302309	527362674	/nfs/dbraw/zinc/36/26/74/527362674.db2.gz	CUOBKJHMZZBDSD-OAHLLOKOSA-N	2	0	302.422	0.758	20	70		DCIDRP
C[NH2+][C@H]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1	ZINC000160764196	533038755	/nfs/dbraw/zinc/03/87/55/533038755.db2.gz	RZPWOLLMHZMZMT-AWEZNQCLSA-N	2	0	303.410	0.267	20	70		DCIDRP
C[NH+](C)C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCO1	ZINC000160793049	396074881	/nfs/dbraw/zinc/07/48/81/396074881.db2.gz	VGHWRXBLNYUGIJ-ZBFHGGJFSA-N	2	0	324.469	0.975	20	70		DCIDRP
C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)[C@H]1CN(C)CCO1	ZINC000160629881	545862321	/nfs/dbraw/zinc/86/23/21/545862321.db2.gz	AYLYAAQQWXNJCR-YNEHKIRRSA-N	2	0	301.456	0.259	20	70		DCIDRP
CC[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1	ZINC000161076772	285585186	/nfs/dbraw/zinc/58/51/86/285585186.db2.gz	DSPNMOPKNUKPLS-OAHLLOKOSA-N	2	0	324.469	0.245	20	70		DCIDRP
C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1CN(C)CCO1	ZINC000160077956	545860944	/nfs/dbraw/zinc/86/09/44/545860944.db2.gz	MPCUHGWSTBPENO-STQMWFEESA-N	2	0	324.429	0.285	20	70		DCIDRP
C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1CN(C)CCO1	ZINC000160078357	545861685	/nfs/dbraw/zinc/86/16/85/545861685.db2.gz	MPCUHGWSTBPENO-CHWSQXEVSA-N	2	0	324.429	0.285	20	70		DCIDRP
CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](CCOC)CC2)CC1	ZINC000159760224	396070610	/nfs/dbraw/zinc/07/06/10/396070610.db2.gz	ZEIQEQFTDDIRER-UHFFFAOYSA-N	2	0	312.458	0.834	20	70		DCIDRP
CC[N@@H+]1CCCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1	ZINC000159831148	396071761	/nfs/dbraw/zinc/07/17/61/396071761.db2.gz	ROOLWZPFZYGWRX-OAHLLOKOSA-N	2	0	311.474	0.360	20	70		DCIDRP
C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)C1CC[NH+](C)CC1	ZINC000160446832	545862161	/nfs/dbraw/zinc/86/21/61/545862161.db2.gz	YLVAOGQZYTVDFZ-AWEZNQCLSA-N	2	0	310.486	0.859	20	70		DCIDRP
COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000160753087	396075058	/nfs/dbraw/zinc/07/50/58/396075058.db2.gz	ZHQPYSGFBYMQQW-OAHLLOKOSA-N	2	0	312.458	0.690	20	70		DCIDRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1	ZINC000160555276	158354382	/nfs/dbraw/zinc/35/43/82/158354382.db2.gz	VTINFXVIGATESQ-YESZJQIVSA-N	2	0	317.433	0.832	20	70		DCIDRP
CC[N@@H+]1CCCN(C(=O)NCC[NH+](C)CCCOC)CC1	ZINC000159908470	396071682	/nfs/dbraw/zinc/07/16/82/396071682.db2.gz	JFTDFKIEENIBRB-UHFFFAOYSA-N	2	0	300.447	0.692	20	70		DCIDRP
CC[N@@H+]1CCCN(C(=O)NCC(C)(C)N2CCOCC2)CC1	ZINC000159527432	396068837	/nfs/dbraw/zinc/06/88/37/396068837.db2.gz	FFZNALICOIVUHB-UHFFFAOYSA-N	2	0	312.458	0.834	20	70		DCIDRP
C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)C1CC[NH+](C)CC1	ZINC000160446961	545862696	/nfs/dbraw/zinc/86/26/96/545862696.db2.gz	YLVAOGQZYTVDFZ-CQSZACIVSA-N	2	0	310.486	0.859	20	70		DCIDRP
COCCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000160753210	396074940	/nfs/dbraw/zinc/07/49/40/396074940.db2.gz	ZHQPYSGFBYMQQW-HNNXBMFYSA-N	2	0	312.458	0.690	20	70		DCIDRP
CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1	ZINC000159787170	545861728	/nfs/dbraw/zinc/86/17/28/545861728.db2.gz	YHOXLOQPZFQUPT-KBPBESRZSA-N	2	0	300.447	0.687	20	70		DCIDRP
C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1CN(C)CCO1	ZINC000160078087	545860598	/nfs/dbraw/zinc/86/05/98/545860598.db2.gz	MPCUHGWSTBPENO-OLZOCXBDSA-N	2	0	324.429	0.285	20	70		DCIDRP
C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1	ZINC000160988491	416011688	/nfs/dbraw/zinc/01/16/88/416011688.db2.gz	RGGCZCQACRLIGU-DOMZBBRYSA-N	2	0	318.421	0.332	20	70		DCIDRP
CC[NH+]1CCC(NC(=O)N2CCC([N@H+](C)CCO)CC2)CC1	ZINC000161284787	158357335	/nfs/dbraw/zinc/35/73/35/158357335.db2.gz	MNNRQKXEYRADJB-UHFFFAOYSA-N	2	0	312.458	0.569	20	70		DCIDRP
CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CN(C)CCO1	ZINC000159787523	545861584	/nfs/dbraw/zinc/86/15/84/545861584.db2.gz	YHOXLOQPZFQUPT-ZIAGYGMSSA-N	2	0	300.447	0.687	20	70		DCIDRP
C[NH2+][C@@H]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1	ZINC000160764097	532970415	/nfs/dbraw/zinc/97/04/15/532970415.db2.gz	RZPWOLLMHZMZMT-CQSZACIVSA-N	2	0	303.410	0.267	20	70		DCIDRP
C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCO1	ZINC000160793180	396075033	/nfs/dbraw/zinc/07/50/33/396075033.db2.gz	VGHWRXBLNYUGIJ-GOEBONIOSA-N	2	0	324.469	0.975	20	70		DCIDRP
CCC([NH3+])(CC)CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C	ZINC000160419565	521650951	/nfs/dbraw/zinc/65/09/51/521650951.db2.gz	GMHOATKWBXTFOQ-UHFFFAOYSA-N	2	0	308.430	0.758	20	70		DCIDRP
C[N@H+](CC(=O)NCC1CC[NH+](CCO)CC1)[C@H]1CCSC1	ZINC000160009840	291237058	/nfs/dbraw/zinc/23/70/58/291237058.db2.gz	NXLPOKRXPWWQCX-AWEZNQCLSA-N	2	0	315.483	0.244	20	70		DCIDRP
CC[N@@H+]1CCCN(C(=O)NCCC[NH+](C)CCOC)CC1	ZINC000159668148	396069888	/nfs/dbraw/zinc/06/98/88/396069888.db2.gz	KQLHEYHVGICGIX-UHFFFAOYSA-N	2	0	300.447	0.692	20	70		DCIDRP
C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1CN(C)CCO1	ZINC000160078228	545860678	/nfs/dbraw/zinc/86/06/78/545860678.db2.gz	MPCUHGWSTBPENO-QWHCGFSZSA-N	2	0	324.429	0.285	20	70		DCIDRP
C[NH+](C)C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCO1	ZINC000160793309	396074977	/nfs/dbraw/zinc/07/49/77/396074977.db2.gz	VGHWRXBLNYUGIJ-HOCLYGCPSA-N	2	0	324.469	0.975	20	70		DCIDRP
CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1	ZINC000159787265	545860394	/nfs/dbraw/zinc/86/03/94/545860394.db2.gz	YHOXLOQPZFQUPT-KGLIPLIRSA-N	2	0	300.447	0.687	20	70		DCIDRP
C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)[C@@H]1CN(C)CCO1	ZINC000160629645	545862176	/nfs/dbraw/zinc/86/21/76/545862176.db2.gz	AYLYAAQQWXNJCR-XQQFMLRXSA-N	2	0	301.456	0.259	20	70		DCIDRP
C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[C@H]3C[NH3+])c2)CC1	ZINC000160285551	416007429	/nfs/dbraw/zinc/00/74/29/416007429.db2.gz	CFSFUHZBJMRUMZ-KRWDZBQOSA-N	2	0	316.449	0.997	20	70		DCIDRP
CC[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1	ZINC000161076918	396074865	/nfs/dbraw/zinc/07/48/65/396074865.db2.gz	DSPNMOPKNUKPLS-HNNXBMFYSA-N	2	0	324.469	0.245	20	70		DCIDRP
CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1	ZINC000159787393	545860975	/nfs/dbraw/zinc/86/09/75/545860975.db2.gz	YHOXLOQPZFQUPT-UONOGXRCSA-N	2	0	300.447	0.687	20	70		DCIDRP
C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[C@@H]3C[NH3+])c2)CC1	ZINC000160285409	158354833	/nfs/dbraw/zinc/35/48/33/158354833.db2.gz	CFSFUHZBJMRUMZ-QGZVFWFLSA-N	2	0	316.449	0.997	20	70		DCIDRP
C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1	ZINC000160988626	416010482	/nfs/dbraw/zinc/01/04/82/416010482.db2.gz	RGGCZCQACRLIGU-WFASDCNBSA-N	2	0	318.421	0.332	20	70		DCIDRP
C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1CN(C)CCO1	ZINC000160238355	545861021	/nfs/dbraw/zinc/86/10/21/545861021.db2.gz	MUSSECHFTQSRCT-OCCSQVGLSA-N	2	0	324.429	0.285	20	70		DCIDRP