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@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O	ZINC000257256073	190021865	/nfs/dbraw/zinc/02/18/65/190021865.db2.gz	KJYYDTMFQCXPIE-CHWSQXEVSA-N	1	3	269.389	-0.004	40	0		CBABHO
CN1CCN(C(=O)CC[NH+]2CCCC2)C[C@@H](C(N)=O)C1	ZINC000257287238	190026950	/nfs/dbraw/zinc/02/69/50/190026950.db2.gz	PPDBLWWQEWCKMJ-LBPRGKRZSA-N	1	3	282.388	-0.652	40	0		CBABHO
CC(C)C[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])C(N)=O	ZINC000079670373	351694068	/nfs/dbraw/zinc/69/40/68/351694068.db2.gz	NZCMOCGIZHKABP-VHSXEESVSA-N	1	3	258.366	-0.541	40	0		CBABHO
CNC(=O)[C@@H]1CN(C)CCN(C(=O)C2CC[NH2+]CC2)C1	ZINC000585182321	355046315	/nfs/dbraw/zinc/04/63/15/355046315.db2.gz	HFNKWUCGZJXLHS-GFCCVEGCSA-N	1	3	282.388	-0.878	40	0		CBABHO
CC(C)C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(N)=O	ZINC000002556625	351309253	/nfs/dbraw/zinc/30/92/53/351309253.db2.gz	NZCMOCGIZHKABP-UWVGGRQHSA-N	1	3	258.366	-0.541	40	0		CBABHO
CN(C)CCN1CCN(C)C2(CC[NH2+]CC2)C1=O	ZINC000306143258	289156502	/nfs/dbraw/zinc/15/65/02/289156502.db2.gz	XXGBVFUBNXFGGD-UHFFFAOYSA-N	1	3	254.378	-0.556	40	0		CBABHO
CNC(=O)[C@H]1CN(C)CCN(C(=O)C2CC[NH2+]CC2)C1	ZINC000585182322	355046587	/nfs/dbraw/zinc/04/65/87/355046587.db2.gz	HFNKWUCGZJXLHS-LBPRGKRZSA-N	1	3	282.388	-0.878	40	0		CBABHO
CCN(CC)CCNC(=O)C(=O)NCC[NH+](CC)CC	ZINC000004428701	351318786	/nfs/dbraw/zinc/31/87/86/351318786.db2.gz	QQBJZFVHGHXOHQ-UHFFFAOYSA-N	1	3	286.420	-0.098	40	0		CBABHO
CCN1CCN(C[C@H](O)CN2CCC[NH2+]CC2)CC1	ZINC000064875854	351587896	/nfs/dbraw/zinc/58/78/96/351587896.db2.gz	PEXZEJYXCCADKJ-CQSZACIVSA-N	1	3	270.421	-0.720	40	0		CBABHO
CNC(=O)[C@@H]1CN(C)CCN(C(=O)CC[NH+]2CCCC2)C1	ZINC000257204196	190011565	/nfs/dbraw/zinc/01/15/65/190011565.db2.gz	ATLZUPTZNSSWDE-CYBMUJFWSA-N	1	3	296.415	-0.392	40	0		CBABHO
CNC(=O)[C@H]1CN(C)CCN(C(=O)CC[NH+]2CCCC2)C1	ZINC000257204197	190011698	/nfs/dbraw/zinc/01/16/98/190011698.db2.gz	ATLZUPTZNSSWDE-ZDUSSCGKSA-N	1	3	296.415	-0.392	40	0		CBABHO
CC(C)[C@@H](N)C(=O)NCCNC(=O)[C@H]([NH3+])C(C)C	ZINC000006616838	170219555	/nfs/dbraw/zinc/21/95/55/170219555.db2.gz	DWFQYBHBQWQYKB-NXEZZACHSA-N	1	3	258.366	-0.815	40	0		CBABHO
CC(C)[C@H](N)C(=O)NCCNC(=O)[C@@H]([NH3+])C(C)C	ZINC000001616449	351304858	/nfs/dbraw/zinc/30/48/58/351304858.db2.gz	DWFQYBHBQWQYKB-UWVGGRQHSA-N	1	3	258.366	-0.815	40	0		CBABHO
CCN(CC)CC[NH2+]C[C@H](O)CN1CCN(C)CC1	ZINC000019366284	351348686	/nfs/dbraw/zinc/34/86/86/351348686.db2.gz	MHUYECSJKBBHKZ-AWEZNQCLSA-N	1	3	272.437	-0.474	40	0		CBABHO
CC[NH+](CC)CCNC[C@H](O)CN1CCN(C)CC1	ZINC000019366284	351348688	/nfs/dbraw/zinc/34/86/88/351348688.db2.gz	MHUYECSJKBBHKZ-AWEZNQCLSA-N	1	3	272.437	-0.474	40	0		CBABHO
CN1C[C@@H]2COCCN2C2(CN(C3CC[NH+](C)CC3)C2)C1	ZINC000604381736	355724180	/nfs/dbraw/zinc/72/41/80/355724180.db2.gz	MGFUSZXSNGUTHE-OAHLLOKOSA-N	1	3	294.443	-0.219	40	0	biogenic,in-vitro	CBABHO
CN1CCN(C(=O)CC[NH+]2CCCC2)C[C@H](C(N)=O)C1	ZINC000257287237	190027044	/nfs/dbraw/zinc/02/70/44/190027044.db2.gz	PPDBLWWQEWCKMJ-GFCCVEGCSA-N	1	3	282.388	-0.652	40	0		CBABHO
CCN(CC)CC[NH2+]C[C@@H](O)CN1CCN(C)CC1	ZINC000019369348	351349674	/nfs/dbraw/zinc/34/96/74/351349674.db2.gz	MHUYECSJKBBHKZ-CQSZACIVSA-N	1	3	272.437	-0.474	40	0		CBABHO
CC[NH+](CC)CCNC[C@@H](O)CN1CCN(C)CC1	ZINC000019369348	351349678	/nfs/dbraw/zinc/34/96/78/351349678.db2.gz	MHUYECSJKBBHKZ-CQSZACIVSA-N	1	3	272.437	-0.474	40	0		CBABHO
NCC(=O)N1CC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1	ZINC000257259425	372903127	/nfs/dbraw/zinc/90/31/27/372903127.db2.gz	KYHGBSJVRHKKDJ-INIZCTEOSA-N	1	3	289.379	-0.033	40	0		CBABHO
NCC(=O)N1CC[C@](O)(C[N@H+]2CCc3ccccc3C2)C1	ZINC000257259425	372903136	/nfs/dbraw/zinc/90/31/36/372903136.db2.gz	KYHGBSJVRHKKDJ-INIZCTEOSA-N	1	3	289.379	-0.033	40	0		CBABHO
COC(=O)CCC(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000001577527	351303662	/nfs/dbraw/zinc/30/36/62/351303662.db2.gz	IMEMKNYAKHXGHR-UHFFFAOYSA-N	1	3	273.377	-0.109	40	0		CBABHO
CCN1CCN(C[C@@H](O)CN2CCC[NH2+]CC2)CC1	ZINC000064875857	351587221	/nfs/dbraw/zinc/58/72/21/351587221.db2.gz	PEXZEJYXCCADKJ-AWEZNQCLSA-N	1	3	270.421	-0.720	40	0		CBABHO
NCC(=O)N1CC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)C1	ZINC000257259426	372902719	/nfs/dbraw/zinc/90/27/19/372902719.db2.gz	KYHGBSJVRHKKDJ-MRXNPFEDSA-N	1	3	289.379	-0.033	40	0		CBABHO
NCC(=O)N1CC[C@@](O)(C[N@H+]2CCc3ccccc3C2)C1	ZINC000257259426	372902730	/nfs/dbraw/zinc/90/27/30/372902730.db2.gz	KYHGBSJVRHKKDJ-MRXNPFEDSA-N	1	3	289.379	-0.033	40	0		CBABHO
C[N@H+](CCO)CCCN=c1nc2ccccc2[n+]([O-])[nH]1	ZINC000409418457	544590337	/nfs/dbraw/zinc/59/03/37/544590337.db2.gz	XONIZJNOUMKMDQ-UHFFFAOYSA-N	1	3	278.336	-0.375	40	0		CBABHO
C[N@@H+](CCO)CCCN=c1nc2ccccc2[n+]([O-])[nH]1	ZINC000409418457	544590338	/nfs/dbraw/zinc/59/03/38/544590338.db2.gz	XONIZJNOUMKMDQ-UHFFFAOYSA-N	1	3	278.336	-0.375	40	0		CBABHO