smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCOCCOCCOCC[NH+](C)CCOCCOCCOCC1	ZINC000004661801	570920918	/nfs/dbraw/zinc/92/09/18/570920918.db2.gz	HOTIQIAWXKDYJY-UHFFFAOYSA-N	2	0	378.510	-0.037	50	0		GBAARP
Cc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)NCCCN1CCOCC1	ZINC000011928148	570449240	/nfs/dbraw/zinc/44/92/40/570449240.db2.gz	NABZKLVYVOZSBT-UHFFFAOYSA-N	2	0	392.504	-0.582	50	0		GBAARP
COc1ccc([C@H](CNC(=O)C(=O)NCC[NH+](C)C)N2CC[NH+](C)CC2)cc1	ZINC000022778486	570547443	/nfs/dbraw/zinc/54/74/43/570547443.db2.gz	GUYVAPORVYKDTL-SFHVURJKSA-N	2	0	391.516	-0.222	50	0		GBAARP
COc1ccc([C@@H](CNC(=O)C(=O)NCC[NH+](C)C)N2CC[NH+](C)CC2)cc1	ZINC000022778492	570547385	/nfs/dbraw/zinc/54/73/85/570547385.db2.gz	GUYVAPORVYKDTL-GOSISDBHSA-N	2	0	391.516	-0.222	50	0		GBAARP
C[NH+](C)CCNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1	ZINC000022778619	570547434	/nfs/dbraw/zinc/54/74/34/570547434.db2.gz	YGRQZCGELGOPCQ-KRWDZBQOSA-N	2	0	379.480	-0.092	50	0		GBAARP
C[NH+](C)CCNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1	ZINC000022778624	570547330	/nfs/dbraw/zinc/54/73/30/570547330.db2.gz	YGRQZCGELGOPCQ-QGZVFWFLSA-N	2	0	379.480	-0.092	50	0		GBAARP
CCS(=O)(=O)N(CCCN1CC[NH+](C)CC1)CCC(=O)N1CC[NH2+]CC1	ZINC000045945031	205100332	/nfs/dbraw/zinc/10/03/32/205100332.db2.gz	JCGXWRUXSKUWEL-UHFFFAOYSA-N	2	0	389.566	-0.903	50	0		GBAARP
O=C(C1CC1)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)N2CC[NH+](C3CCOCC3)CC2)C1	ZINC000065403782	1072540909	/nfs/dbraw/zinc/54/09/09/1072540909.db2.gz	SKSHRKZGTAOYOF-OXQOHEQNSA-N	2	0	376.501	-0.232	50	0		GBAARP
COCCN1CCC[C@@](O)(C[NH+]2CCN(c3cc(C)[nH+]c(N)n3)CC2)C1=O	ZINC000067514112	570781121	/nfs/dbraw/zinc/78/11/21/570781121.db2.gz	NGVXSPFUTADRLZ-GOSISDBHSA-N	2	0	378.477	-0.511	50	0		GBAARP
COCCN1CCC[C@](O)(C[NH+]2CCN(c3cc(C)[nH+]c(N)n3)CC2)C1=O	ZINC000067514114	211011485	/nfs/dbraw/zinc/01/14/85/211011485.db2.gz	NGVXSPFUTADRLZ-SFHVURJKSA-N	2	0	378.477	-0.511	50	0		GBAARP
O=C(C[NH2+]C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O)N1CC[NH2+]CC1	ZINC000067772731	570790709	/nfs/dbraw/zinc/79/07/09/570790709.db2.gz	HKHZTZODVDPWBR-NRFANRHFSA-N	2	0	388.512	-0.006	50	0		GBAARP
O=C(C[NH2+]C[C@]1(O)CCCN(CCCc2ccccc2)C1=O)N1CC[NH2+]CC1	ZINC000067772733	205259545	/nfs/dbraw/zinc/25/95/45/205259545.db2.gz	HKHZTZODVDPWBR-OAQYLSRUSA-N	2	0	388.512	-0.006	50	0		GBAARP
[NH3+]CCn1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nn1	ZINC000071589644	570841404	/nfs/dbraw/zinc/84/14/04/570841404.db2.gz	ONZBICZVNJDWPC-AWEZNQCLSA-N	2	0	389.504	-0.168	50	0		GBAARP
[NH3+]CCn1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nn1	ZINC000071589645	211049899	/nfs/dbraw/zinc/04/98/99/211049899.db2.gz	ONZBICZVNJDWPC-CQSZACIVSA-N	2	0	389.504	-0.168	50	0		GBAARP
CC[NH+]1CCN(CCN2CC3(CCN(C(=O)C4([NH3+])CC4)CC3)OC2=O)CC1	ZINC000077285830	570903578	/nfs/dbraw/zinc/90/35/78/570903578.db2.gz	KCNVYZYZCNXLEA-UHFFFAOYSA-N	2	0	379.505	-0.071	50	0		GBAARP
C[NH+](C)[C@@H]1CCN(CCN2CC3(CCN(C(=O)C4([NH3+])CC4)CC3)OC2=O)C1	ZINC000077319620	211128613	/nfs/dbraw/zinc/12/86/13/211128613.db2.gz	ULRKHZYJUKCQEG-OAHLLOKOSA-N	2	0	379.505	-0.073	50	0		GBAARP
C[NH+](C)[C@H]1CCN(CCN2CC3(CCN(C(=O)C4([NH3+])CC4)CC3)OC2=O)C1	ZINC000077319623	222278264	/nfs/dbraw/zinc/27/82/64/222278264.db2.gz	ULRKHZYJUKCQEG-HNNXBMFYSA-N	2	0	379.505	-0.073	50	0		GBAARP
[NH3+]CCn1cc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)nn1	ZINC000077436345	222280459	/nfs/dbraw/zinc/28/04/59/222280459.db2.gz	YMBCMGVSBJDGBK-VDUSKEEQSA-N	2	0	381.484	-0.466	50	0		GBAARP
O=C([C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1)N1CCN(c2cc[nH+]cc2)CC1	ZINC000096151966	136184435	/nfs/dbraw/zinc/18/44/35/136184435.db2.gz	ZCTNRUHBJNWGQL-SJORKVTESA-N	2	0	387.484	-0.185	50	0		GBAARP
COCC[N@H+](C)CCN1CC2(CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)OC1=O	ZINC000102141147	570287468	/nfs/dbraw/zinc/28/74/68/570287468.db2.gz	HCOXRPPCCPQFQS-ZSHCYNCHSA-N	2	0	380.489	-0.157	50	0		GBAARP
[NH3+]CCn1cc(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)nn1	ZINC000107114728	570308445	/nfs/dbraw/zinc/30/84/45/570308445.db2.gz	YMBCMGVSBJDGBK-RVSXGSNBSA-N	2	0	381.484	-0.466	50	0		GBAARP
O=C(c1cccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCC2)c1)N1CC[NH2+]CC1	ZINC000215087603	570285276	/nfs/dbraw/zinc/28/52/76/570285276.db2.gz	NNEDAKULIAWZGC-INIZCTEOSA-N	2	0	396.513	-0.533	50	0		GBAARP
O=C(c1cccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCC2)c1)N1CC[NH2+]CC1	ZINC000215087649	570285238	/nfs/dbraw/zinc/28/52/38/570285238.db2.gz	NNEDAKULIAWZGC-MRXNPFEDSA-N	2	0	396.513	-0.533	50	0		GBAARP
Nc1nc(N2CCC([NH+]3CCN(CCO)CC3)CC2)cc(C2CC(O)C2)[nH+]1	ZINC000219843800	136204343	/nfs/dbraw/zinc/20/43/43/136204343.db2.gz	MIDSTEVKUAEHNI-UHFFFAOYSA-N	2	0	376.505	-0.124	50	0		GBAARP