smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(N2CC[C@H]([N@H+]3C[C@@H]4[C@H]5CCCC[NH+]5C[C@H]4C3)C2=O)cc1	ZINC000252549665	549674112	/nfs/dbraw/zinc/67/41/12/549674112.db2.gz	RPEDYSZQWSRKQG-FFGOWVMKSA-N	2	1	350.466	2.080	50	30		FEEAMP
N#Cc1ccc(N2CC[C@H]([N@@H+]3C[C@@H]4[C@H]5CCCC[NH+]5C[C@H]4C3)C2=O)cc1	ZINC000252549665	549674114	/nfs/dbraw/zinc/67/41/14/549674114.db2.gz	RPEDYSZQWSRKQG-FFGOWVMKSA-N	2	1	350.466	2.080	50	30		FEEAMP
N#Cc1ccc(N2CC[C@H]([NH+]3C[C@@H]4[C@H]5CCCC[N@H+]5C[C@H]4C3)C2=O)cc1	ZINC000252549665	549674118	/nfs/dbraw/zinc/67/41/18/549674118.db2.gz	RPEDYSZQWSRKQG-FFGOWVMKSA-N	2	1	350.466	2.080	50	30		FEEAMP
N#Cc1ccc(N2CC[C@H]([NH+]3C[C@@H]4[C@H]5CCCC[N@@H+]5C[C@H]4C3)C2=O)cc1	ZINC000252549665	549674120	/nfs/dbraw/zinc/67/41/20/549674120.db2.gz	RPEDYSZQWSRKQG-FFGOWVMKSA-N	2	1	350.466	2.080	50	30		FEEAMP
C=CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(OC)c2OCCC[NH3+])C[C@H]1C	ZINC000426387869	571218368	/nfs/dbraw/zinc/21/83/68/571218368.db2.gz	NEVMNVIYOSNRIR-HZPDHXFCSA-N	2	1	361.486	2.144	50	30		FEEAMP
C=CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(OC)c2OCCC[NH3+])C[C@H]1C	ZINC000426387869	571218369	/nfs/dbraw/zinc/21/83/69/571218369.db2.gz	NEVMNVIYOSNRIR-HZPDHXFCSA-N	2	1	361.486	2.144	50	30		FEEAMP
C=C(C)COc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1	ZINC000072407274	541805600	/nfs/dbraw/zinc/80/56/00/541805600.db2.gz	HFKHXUYJBWYAEQ-PKOBYXMFSA-N	2	1	357.498	2.413	50	30		FEEAMP
CC(C)(O)C#Cc1ccc(C[NH+]2CCN([C@H]3C[NH+]4CCC3CC4)CC2)cc1	ZINC000065395832	210099845	/nfs/dbraw/zinc/09/98/45/210099845.db2.gz	OXUFSMCLCPTYTP-QFIPXVFZSA-N	2	1	367.537	2.021	50	30		FEEAMP
N#Cc1ccc(N2CC[C@H]([N@H+]3C[C@H]4[C@@H](C[NH+]5CCCC[C@@H]45)C3)C2=O)cc1	ZINC000252549666	549673856	/nfs/dbraw/zinc/67/38/56/549673856.db2.gz	RPEDYSZQWSRKQG-LEAZDLGRSA-N	2	1	350.466	2.080	50	30		FEEAMP
N#Cc1ccc(N2CC[C@H]([N@@H+]3C[C@H]4[C@@H](C[NH+]5CCCC[C@@H]45)C3)C2=O)cc1	ZINC000252549666	549673859	/nfs/dbraw/zinc/67/38/59/549673859.db2.gz	RPEDYSZQWSRKQG-LEAZDLGRSA-N	2	1	350.466	2.080	50	30		FEEAMP
N#Cc1ccc(N2CC[C@H]([NH+]3C[C@H]4[C@H](C3)C[N@@H+]3CCCC[C@@H]43)C2=O)cc1	ZINC000252549666	549673861	/nfs/dbraw/zinc/67/38/61/549673861.db2.gz	RPEDYSZQWSRKQG-LEAZDLGRSA-N	2	1	350.466	2.080	50	30		FEEAMP
N#Cc1ccc(N2CC[C@H]([NH+]3C[C@H]4[C@H](C3)C[N@H+]3CCCC[C@@H]43)C2=O)cc1	ZINC000252549666	549673865	/nfs/dbraw/zinc/67/38/65/549673865.db2.gz	RPEDYSZQWSRKQG-LEAZDLGRSA-N	2	1	350.466	2.080	50	30		FEEAMP
COc1ccc([C@@H](CNC(=[NH2+])NC[C@H]2CCCO2)[NH+]2CCCCC2)cc1	ZINC000058193459	540832681	/nfs/dbraw/zinc/83/26/81/540832681.db2.gz	RLJQDNAZEWVQPH-RTBURBONSA-N	2	1	360.502	2.306	50	30		FEEAMP
COc1ccc(C[NH+]2CCC(C#N)CC2)c(OC[C@H](O)C[NH+]2CCCC2)c1	ZINC000095520347	542978956	/nfs/dbraw/zinc/97/89/56/542978956.db2.gz	FJWRKBHHJGKXIM-LJQANCHMSA-N	2	1	373.497	2.266	50	30		FEEAMP
C=CC[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCSCC2)c(OC)c1	ZINC000095501699	210085643	/nfs/dbraw/zinc/08/56/43/210085643.db2.gz	NMLLWACBHFKCNG-QGZVFWFLSA-N	2	1	366.527	2.102	50	30		FEEAMP
N#Cc1ccc(N2CC[C@H]([N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)C2=O)cc1	ZINC000252549667	549673892	/nfs/dbraw/zinc/67/38/92/549673892.db2.gz	RPEDYSZQWSRKQG-NBYUQASBSA-N	2	1	350.466	2.080	50	30		FEEAMP
N#Cc1ccc(N2CC[C@H]([N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)C2=O)cc1	ZINC000252549667	549673894	/nfs/dbraw/zinc/67/38/94/549673894.db2.gz	RPEDYSZQWSRKQG-NBYUQASBSA-N	2	1	350.466	2.080	50	30		FEEAMP
N#Cc1ccc(N2CC[C@H]([NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)C2=O)cc1	ZINC000252549667	549673898	/nfs/dbraw/zinc/67/38/98/549673898.db2.gz	RPEDYSZQWSRKQG-NBYUQASBSA-N	2	1	350.466	2.080	50	30		FEEAMP
N#Cc1ccc(N2CC[C@H]([NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)C2=O)cc1	ZINC000252549667	549673901	/nfs/dbraw/zinc/67/39/01/549673901.db2.gz	RPEDYSZQWSRKQG-NBYUQASBSA-N	2	1	350.466	2.080	50	30		FEEAMP
C=CCC(=O)N(C[C@H]1CCC[N@@H+]1CC)CC1CC[NH+](CCOC)CC1	ZINC000012757536	220026090	/nfs/dbraw/zinc/02/60/90/220026090.db2.gz	YDNGAKYDJJFZOQ-LJQANCHMSA-N	2	1	351.535	2.234	50	30		FEEAMP
C=CCOc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCC[NH3+])C1	ZINC000072406753	541805774	/nfs/dbraw/zinc/80/57/74/541805774.db2.gz	FGARWJDFZASHGJ-PKOBYXMFSA-N	2	1	357.498	2.413	50	30		FEEAMP
COc1ccc(C[NH+]2CCC(C#N)CC2)cc1OC[C@@H](O)C[NH+]1CCCC1	ZINC000095530246	542981838	/nfs/dbraw/zinc/98/18/38/542981838.db2.gz	GBABPIPMGHGCRC-IBGZPJMESA-N	2	1	373.497	2.266	50	30		FEEAMP
COc1ccc([C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)[NH+]2CCCCC2)cc1	ZINC000058193458	540832893	/nfs/dbraw/zinc/83/28/93/540832893.db2.gz	RLJQDNAZEWVQPH-OALUTQOASA-N	2	1	360.502	2.306	50	30		FEEAMP
C=CCOc1c(Br)cc(C[NH2+]CCC[NH2+]CCO)cc1OC	ZINC000013733161	539591795	/nfs/dbraw/zinc/59/17/95/539591795.db2.gz	CUBWPXXYLWWNKX-UHFFFAOYSA-N	2	1	373.291	2.084	50	30		FEEAMP
COc1ccc(C[NH+]2CCC(C#N)CC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1	ZINC000095520348	542978696	/nfs/dbraw/zinc/97/86/96/542978696.db2.gz	FJWRKBHHJGKXIM-IBGZPJMESA-N	2	1	373.497	2.266	50	30		FEEAMP
C=CCc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)ccc1OC	ZINC000072418115	541807866	/nfs/dbraw/zinc/80/78/66/541807866.db2.gz	YGCZITJAXVNVOC-RBUKOAKNSA-N	2	1	357.498	2.195	50	30		FEEAMP
CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000076093872	542231990	/nfs/dbraw/zinc/23/19/90/542231990.db2.gz	UNADFJPUARLGJV-IBGZPJMESA-N	2	1	358.486	2.320	50	30		FEEAMP
COc1ccc(C[NH+]2CCC(C#N)CC2)cc1OC[C@H](O)C[NH+]1CCCC1	ZINC000095530245	542982133	/nfs/dbraw/zinc/98/21/33/542982133.db2.gz	GBABPIPMGHGCRC-LJQANCHMSA-N	2	1	373.497	2.266	50	30		FEEAMP
C[NH+](C)CCN1C[C@]2(CCC[N@@H+](Cc3cccc(C#N)c3)C2)CCC1=O	ZINC000092062360	542842286	/nfs/dbraw/zinc/84/22/86/542842286.db2.gz	YRNWOIXXUKDRMC-OAQYLSRUSA-N	2	1	354.498	2.324	50	30		FEEAMP
C[NH+](C)CCN1C[C@@]2(CCC[N@@H+](Cc3cccc(C#N)c3)C2)CCC1=O	ZINC000092062359	542842399	/nfs/dbraw/zinc/84/23/99/542842399.db2.gz	YRNWOIXXUKDRMC-NRFANRHFSA-N	2	1	354.498	2.324	50	30		FEEAMP
N#Cc1ccc(N2CC[C@H]([N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)C2=O)cc1	ZINC000252549668	549674255	/nfs/dbraw/zinc/67/42/55/549674255.db2.gz	RPEDYSZQWSRKQG-RNQOJCNYSA-N	2	1	350.466	2.080	50	30		FEEAMP
N#Cc1ccc(N2CC[C@H]([N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)C2=O)cc1	ZINC000252549668	549674259	/nfs/dbraw/zinc/67/42/59/549674259.db2.gz	RPEDYSZQWSRKQG-RNQOJCNYSA-N	2	1	350.466	2.080	50	30		FEEAMP
N#Cc1ccc(N2CC[C@H]([NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)C2=O)cc1	ZINC000252549668	549674261	/nfs/dbraw/zinc/67/42/61/549674261.db2.gz	RPEDYSZQWSRKQG-RNQOJCNYSA-N	2	1	350.466	2.080	50	30		FEEAMP
N#Cc1ccc(N2CC[C@H]([NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)C2=O)cc1	ZINC000252549668	549674265	/nfs/dbraw/zinc/67/42/65/549674265.db2.gz	RPEDYSZQWSRKQG-RNQOJCNYSA-N	2	1	350.466	2.080	50	30		FEEAMP
COc1ccc([C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)[NH+]2CCCCC2)cc1	ZINC000058193457	540832722	/nfs/dbraw/zinc/83/27/22/540832722.db2.gz	RLJQDNAZEWVQPH-RBUKOAKNSA-N	2	1	360.502	2.306	50	30		FEEAMP
C=CC[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCSCC2)c(OC)c1	ZINC000095501700	542974990	/nfs/dbraw/zinc/97/49/90/542974990.db2.gz	NMLLWACBHFKCNG-KRWDZBQOSA-N	2	1	366.527	2.102	50	30		FEEAMP
C=CCC(=O)N(C[C@@H]1CCC[N@@H+]1CC)CC1CC[NH+](CCOC)CC1	ZINC000012757538	670003847	/nfs/dbraw/zinc/00/38/47/670003847.db2.gz	YDNGAKYDJJFZOQ-IBGZPJMESA-N	2	1	351.535	2.234	50	30		FEEAMP
CN1CC[N@@H+](C)CC12CC[NH+](Cc1ccc(C#CC(C)(C)O)s1)CC2	ZINC000067975409	541535380	/nfs/dbraw/zinc/53/53/80/541535380.db2.gz	USYZQTJZAANMAI-UHFFFAOYSA-N	2	1	361.555	2.082	50	30		FEEAMP
C=CCN(C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1	ZINC000040153594	210043658	/nfs/dbraw/zinc/04/36/58/210043658.db2.gz	LQSQYUMKOQHREN-UHFFFAOYSA-N	2	1	357.498	2.250	50	30		FEEAMP
CC[N@@H+]1CCc2c(C#N)c(NCC[NH3+])nc(NCc3ccccc3)c2C1	ZINC000005791276	518355431	/nfs/dbraw/zinc/35/54/31/518355431.db2.gz	BNLZUTXQZFFART-UHFFFAOYSA-N	2	1	350.470	2.314	50	30		FEEAMP
CC[N@H+]1CCc2c(C#N)c(NCC[NH3+])nc(NCc3ccccc3)c2C1	ZINC000005791276	518355438	/nfs/dbraw/zinc/35/54/38/518355438.db2.gz	BNLZUTXQZFFART-UHFFFAOYSA-N	2	1	350.470	2.314	50	30		FEEAMP
C=CCNc1nc(NCC[NH3+])c(C#N)c2c1C[N@H+](Cc1ccccc1)CC2	ZINC000005667873	210106204	/nfs/dbraw/zinc/10/62/04/210106204.db2.gz	IYSQEFZSYGQLMR-UHFFFAOYSA-N	2	1	362.481	2.480	50	30		FEEAMP
C=CCNc1nc(NCC[NH3+])c(C#N)c2c1C[N@@H+](Cc1ccccc1)CC2	ZINC000005667873	210106208	/nfs/dbraw/zinc/10/62/08/210106208.db2.gz	IYSQEFZSYGQLMR-UHFFFAOYSA-N	2	1	362.481	2.480	50	30		FEEAMP
COc1ccc([C@H](CNC(=[NH2+])NC[C@H]2CCCO2)[NH+]2CCCCC2)cc1	ZINC000058193461	540832927	/nfs/dbraw/zinc/83/29/27/540832927.db2.gz	RLJQDNAZEWVQPH-MOPGFXCFSA-N	2	1	360.502	2.306	50	30		FEEAMP
CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000076093868	542232061	/nfs/dbraw/zinc/23/20/61/542232061.db2.gz	UNADFJPUARLGJV-LJQANCHMSA-N	2	1	358.486	2.320	50	30		FEEAMP
CC(C)(O)C#Cc1ccc(C[NH+]2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)cc1	ZINC000065395831	221211115	/nfs/dbraw/zinc/21/11/15/221211115.db2.gz	OXUFSMCLCPTYTP-JOCHJYFZSA-N	2	1	367.537	2.021	50	30		FEEAMP