smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[PH+](CCC)CCC	ZINC000001081139	167022740	/nfs/dbraw/zinc/02/27/40/167022740.db2.gz	KCTAHLRCZMOTKM-UHFFFAOYSA-N	1	0	160.241	3.698	50	0		AHAARO
CCCC[NH2+][C@H](CC)c1ccccc1	ZINC000001622063	342952526	/nfs/dbraw/zinc/95/25/26/342952526.db2.gz	BQNBGUDSGSWTRR-CYBMUJFWSA-N	1	0	191.318	3.527	50	0		AHAARO
CCCC[NH+](CCCC)CCCC	ZINC000001675345	166886685	/nfs/dbraw/zinc/88/66/85/166886685.db2.gz	IMFACGCPASFAPR-UHFFFAOYSA-N	1	0	185.355	3.689	50	0	in-vitro	AHAARO
CCCCCC[NH2+]CCCCCC	ZINC000001683599	166853631	/nfs/dbraw/zinc/85/36/31/166853631.db2.gz	PXSXRABJBXYMFT-UHFFFAOYSA-N	1	0	185.355	3.737	50	0		AHAARO
C[NH+](C1CCCCC1)C1CCCCC1	ZINC000001720041	342961895	/nfs/dbraw/zinc/96/18/95/342961895.db2.gz	GSCCALZHGUWNJW-UHFFFAOYSA-N	1	0	195.350	3.584	50	0		AHAARO
CC(C)[PH+](C(C)C)C(C)C	ZINC000001765050	342964426	/nfs/dbraw/zinc/96/44/26/342964426.db2.gz	IGNTWNVBGLNYDV-UHFFFAOYSA-N	1	0	160.241	3.694	50	0		AHAARO
CC(C)CCC[C@@H](C)[NH2+]CCC(C)C	ZINC000002040424	351303342	/nfs/dbraw/zinc/30/33/42/351303342.db2.gz	RRWTWWBIHKIYTH-CYBMUJFWSA-N	1	0	199.382	3.837	50	0	in-man	AHAARO
CC(C)CCC[C@H](C)[NH2+]CCC(C)C	ZINC000002040425	351303265	/nfs/dbraw/zinc/30/32/65/351303265.db2.gz	RRWTWWBIHKIYTH-ZDUSSCGKSA-N	1	0	199.382	3.837	50	0	in-man	AHAARO
CCC(CC)[NH2+][C@@H](C)c1ccccc1	ZINC000002389437	166798949	/nfs/dbraw/zinc/79/89/49/166798949.db2.gz	LYNMSGXKHJLNMD-NSHDSACASA-N	1	0	191.318	3.526	50	0		AHAARO
CCCC[C@@H](C)[NH2+]CC1CCCCC1	ZINC000002491556	166914300	/nfs/dbraw/zinc/91/43/00/166914300.db2.gz	BHTLFGDABSHXNY-GFCCVEGCSA-N	1	0	197.366	3.735	50	0		AHAARO
CCCC[C@H](C)[NH2+]CC1CCCCC1	ZINC000002491558	342972641	/nfs/dbraw/zinc/97/26/41/342972641.db2.gz	BHTLFGDABSHXNY-LBPRGKRZSA-N	1	0	197.366	3.735	50	0		AHAARO
CC[C@@H](C)c1ccc([C@H]([NH3+])CC)cc1	ZINC000002549356	351311428	/nfs/dbraw/zinc/31/14/28/351311428.db2.gz	ZWAQCNBCIIPMGA-ZWNOBZJWSA-N	1	0	191.318	3.610	50	0		AHAARO
C[PH+](C(C)(C)C)C(C)(C)C	ZINC000002559504	168290838	/nfs/dbraw/zinc/29/08/38/168290838.db2.gz	JURBTQKVGNFPRJ-UHFFFAOYSA-N	1	0	160.241	3.695	50	0		AHAARO
CC[NH+](CC)C(C)(C)CC(C)(C)C	ZINC000002564785	167163780	/nfs/dbraw/zinc/16/37/80/167163780.db2.gz	FLAJMNUEEZPQCV-UHFFFAOYSA-N	1	0	185.355	3.543	50	0		AHAARO
CC[C@@H]([NH3+])c1ccc([C@@H](C)CC)cc1	ZINC000002732126	342979635	/nfs/dbraw/zinc/97/96/35/342979635.db2.gz	ZWAQCNBCIIPMGA-GXFFZTMASA-N	1	0	191.318	3.610	50	0		AHAARO
CC[C@@H](C)c1ccc([C@@H]([NH3+])CC)cc1	ZINC000002732127	342979494	/nfs/dbraw/zinc/97/94/94/342979494.db2.gz	ZWAQCNBCIIPMGA-MFKMUULPSA-N	1	0	191.318	3.610	50	0		AHAARO
CC[C@H](C)c1ccc([C@@H]([NH3+])CC)cc1	ZINC000002732128	342979526	/nfs/dbraw/zinc/97/95/26/342979526.db2.gz	ZWAQCNBCIIPMGA-GWCFXTLKSA-N	1	0	191.318	3.610	50	0		AHAARO
[NH3+]C1CCCCCCCCCCC1	ZINC000003860297	171010026	/nfs/dbraw/zinc/01/00/26/171010026.db2.gz	HBGGBCVEFUPUNY-UHFFFAOYSA-N	1	0	183.339	3.618	50	0		AHAARO
N#[N+]c1ccc(Nc2ccccc2)cc1	ZINC000003954158	171010796	/nfs/dbraw/zinc/01/07/96/171010796.db2.gz	BIHDOXAXFMXYDF-UHFFFAOYSA-N	1	0	196.233	3.915	50	0	in-vitro	AHAARO
CCCC[NH2+][C@@H](C)CCC=C(C)C	ZINC000004578797	342993248	/nfs/dbraw/zinc/99/32/48/342993248.db2.gz	CBYAHCCBHLCJAV-LBPRGKRZSA-N	1	0	183.339	3.511	50	0		AHAARO
CCCC[NH2+][C@H](C)CCC=C(C)C	ZINC000004578798	342993039	/nfs/dbraw/zinc/99/30/39/342993039.db2.gz	CBYAHCCBHLCJAV-GFCCVEGCSA-N	1	0	183.339	3.511	50	0		AHAARO
C[NH2+]C1CCCCCCCCCCC1	ZINC000004782889	342995322	/nfs/dbraw/zinc/99/53/22/342995322.db2.gz	DPKGRPBHAYLZKC-UHFFFAOYSA-N	1	0	197.366	3.879	50	0		AHAARO
N#[N+]c1ccc2c(c1)Cc1ccccc1-2	ZINC000004797499	171164478	/nfs/dbraw/zinc/16/44/78/171164478.db2.gz	DBHMTLFTDFKLRC-UHFFFAOYSA-N	1	0	193.229	3.742	50	0		AHAARO
CCC(CC)[NH2+][C@H](C)c1ccccc1	ZINC000005239987	343000174	/nfs/dbraw/zinc/00/01/74/343000174.db2.gz	LYNMSGXKHJLNMD-LLVKDONJSA-N	1	0	191.318	3.526	50	0		AHAARO
CCCC[NH2+][C@@H](CC)c1ccccc1	ZINC000005973602	343010931	/nfs/dbraw/zinc/01/09/31/343010931.db2.gz	BQNBGUDSGSWTRR-ZDUSSCGKSA-N	1	0	191.318	3.527	50	0		AHAARO
CC(C)CCC[C@@H](C)[NH2+]C1CCCC1	ZINC000007989131	351355181	/nfs/dbraw/zinc/35/51/81/351355181.db2.gz	QIQPEMQWPVPFFX-GFCCVEGCSA-N	1	0	197.366	3.733	50	0		AHAARO
CC(C)CCC[C@H](C)[NH2+]C1CCCC1	ZINC000007989132	351355243	/nfs/dbraw/zinc/35/52/43/351355243.db2.gz	QIQPEMQWPVPFFX-LBPRGKRZSA-N	1	0	197.366	3.733	50	0		AHAARO
CC(C)[NH2+]C1CCC(C(C)(C)C)CC1	ZINC000007990648	166537943	/nfs/dbraw/zinc/53/79/43/166537943.db2.gz	GIWFAODVBQFQCT-UHFFFAOYSA-N	1	0	197.366	3.589	50	0		AHAARO
CCCCCC[NH2+]CC1CCCCC1	ZINC000010474862	343022587	/nfs/dbraw/zinc/02/25/87/343022587.db2.gz	IHXVDPQSVVHGIA-UHFFFAOYSA-N	1	0	197.366	3.737	50	0		AHAARO
CCCC1CCC([NH2+]CC(C)C)CC1	ZINC000019233166	343051929	/nfs/dbraw/zinc/05/19/29/343051929.db2.gz	UXMDXNVATPMQLS-UHFFFAOYSA-N	1	0	197.366	3.591	50	0		AHAARO
CCC[NH2+]C1CCC(C(C)(C)C)CC1	ZINC000019807363	343060862	/nfs/dbraw/zinc/06/08/62/343060862.db2.gz	OSYBDEGIMDPOGP-UHFFFAOYSA-N	1	0	197.366	3.591	50	0		AHAARO
CC[NH2+][C@@H](C)c1cccc2ccccc21	ZINC000019808026	167283256	/nfs/dbraw/zinc/28/32/56/167283256.db2.gz	WPUUEARORQAEAU-NSHDSACASA-N	1	0	199.297	3.510	50	0		AHAARO
CC[NH2+][C@H](C)c1cccc2ccccc21	ZINC000019808027	167297850	/nfs/dbraw/zinc/29/78/50/167297850.db2.gz	WPUUEARORQAEAU-LLVKDONJSA-N	1	0	199.297	3.510	50	0		AHAARO
C1CCC([NH2+]C2CCCCCC2)CC1	ZINC000019878872	166088913	/nfs/dbraw/zinc/08/89/13/166088913.db2.gz	WQVPLXCNNSSPHC-UHFFFAOYSA-N	1	0	195.350	3.632	50	0		AHAARO
CC(C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C	ZINC000019880406	166545223	/nfs/dbraw/zinc/54/52/23/166545223.db2.gz	QAIKBVVFPLUUPE-NWDGAFQWSA-N	1	0	197.366	3.589	50	0		AHAARO
CC(C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C	ZINC000019880408	343063063	/nfs/dbraw/zinc/06/30/63/343063063.db2.gz	QAIKBVVFPLUUPE-RYUDHWBXSA-N	1	0	197.366	3.589	50	0		AHAARO
CC(C)[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C	ZINC000019880409	343062996	/nfs/dbraw/zinc/06/29/96/343062996.db2.gz	QAIKBVVFPLUUPE-VXGBXAGGSA-N	1	0	197.366	3.589	50	0		AHAARO
CC(C)[NH2+][C@H]1CCCC[C@H]1C(C)(C)C	ZINC000019880410	343062936	/nfs/dbraw/zinc/06/29/36/343062936.db2.gz	QAIKBVVFPLUUPE-NEPJUHHUSA-N	1	0	197.366	3.589	50	0		AHAARO
CC[C@@H](C)[NH2+][C@@H](CC)c1ccccc1	ZINC000019882012	343063495	/nfs/dbraw/zinc/06/34/95/343063495.db2.gz	RIALDHSIJVEYHS-YPMHNXCESA-N	1	0	191.318	3.526	50	0		AHAARO
CC[C@H](C)[NH2+][C@@H](CC)c1ccccc1	ZINC000019882014	343063470	/nfs/dbraw/zinc/06/34/70/343063470.db2.gz	RIALDHSIJVEYHS-AAEUAGOBSA-N	1	0	191.318	3.526	50	0		AHAARO
CC[C@@H](C)[NH2+][C@H](CC)c1ccccc1	ZINC000019882016	351396773	/nfs/dbraw/zinc/39/67/73/351396773.db2.gz	RIALDHSIJVEYHS-DGCLKSJQSA-N	1	0	191.318	3.526	50	0		AHAARO
CC[C@@H]([NH2+][C@@H](C)CC)c1ccccc1	ZINC000019882018	343063391	/nfs/dbraw/zinc/06/33/91/343063391.db2.gz	RIALDHSIJVEYHS-WCQYABFASA-N	1	0	191.318	3.526	50	0		AHAARO
CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1	ZINC000019882783	343063395	/nfs/dbraw/zinc/06/33/95/343063395.db2.gz	ZAEGLLYPDBDOQY-GRYCIOLGSA-N	1	0	197.366	3.589	50	0		AHAARO
CC[C@H](C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1	ZINC000019882786	343063360	/nfs/dbraw/zinc/06/33/60/343063360.db2.gz	ZAEGLLYPDBDOQY-WOPDTQHZSA-N	1	0	197.366	3.589	50	0		AHAARO
CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)s1	ZINC000019882847	167476290	/nfs/dbraw/zinc/47/62/90/167476290.db2.gz	MVNHGQFSQXLPNP-SCZZXKLOSA-N	1	0	197.347	3.506	50	0		AHAARO
CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)s1	ZINC000019882848	343063482	/nfs/dbraw/zinc/06/34/82/343063482.db2.gz	MVNHGQFSQXLPNP-WPRPVWTQSA-N	1	0	197.347	3.506	50	0		AHAARO
CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)s1	ZINC000019882849	351397133	/nfs/dbraw/zinc/39/71/33/351397133.db2.gz	MVNHGQFSQXLPNP-PSASIEDQSA-N	1	0	197.347	3.506	50	0		AHAARO
CC[C@H](C)[NH2+][C@H](C)c1ccc(C)s1	ZINC000019882850	343063188	/nfs/dbraw/zinc/06/31/88/343063188.db2.gz	MVNHGQFSQXLPNP-WCBMZHEXSA-N	1	0	197.347	3.506	50	0		AHAARO
CCC(CC)[NH2+]C1CCC(CC)CC1	ZINC000019883750	343063327	/nfs/dbraw/zinc/06/33/27/343063327.db2.gz	LTEXBNBPLHAAMS-UHFFFAOYSA-N	1	0	197.366	3.733	50	0		AHAARO
CCC(CC)[NH2+][C@@H](C)c1cccs1	ZINC000019883881	343063582	/nfs/dbraw/zinc/06/35/82/343063582.db2.gz	FCLSPYYSYPTMSM-VIFPVBQESA-N	1	0	197.347	3.587	50	0		AHAARO
CCC(CC)[NH2+][C@H](C)c1cccs1	ZINC000019883883	343063792	/nfs/dbraw/zinc/06/37/92/343063792.db2.gz	FCLSPYYSYPTMSM-SECBINFHSA-N	1	0	197.347	3.587	50	0		AHAARO
CCCCC[NH2+][C@@H](C)c1ccccc1	ZINC000019901305	343063884	/nfs/dbraw/zinc/06/38/84/343063884.db2.gz	FEGOHPBWEJWCAO-LBPRGKRZSA-N	1	0	191.318	3.527	50	0		AHAARO
CCCCC[NH2+][C@H](C)c1ccccc1	ZINC000019901307	166865307	/nfs/dbraw/zinc/86/53/07/166865307.db2.gz	FEGOHPBWEJWCAO-GFCCVEGCSA-N	1	0	191.318	3.527	50	0		AHAARO
CCCCC[NH2+][C@@H](C)c1cccs1	ZINC000019901349	343063692	/nfs/dbraw/zinc/06/36/92/343063692.db2.gz	KVBKTBMMDOLRGO-JTQLQIEISA-N	1	0	197.347	3.589	50	0		AHAARO
CCCCC[NH2+][C@H](C)c1cccs1	ZINC000019901350	166867204	/nfs/dbraw/zinc/86/72/04/166867204.db2.gz	KVBKTBMMDOLRGO-SNVBAGLBSA-N	1	0	197.347	3.589	50	0		AHAARO
CC(C)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C	ZINC000019945266	351398893	/nfs/dbraw/zinc/39/88/93/351398893.db2.gz	NZJMGZFJVHZZBI-RWMBFGLXSA-N	1	0	197.366	3.589	50	0		AHAARO
CC(C)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C	ZINC000019945272	351398984	/nfs/dbraw/zinc/39/89/84/351398984.db2.gz	NZJMGZFJVHZZBI-AVGNSLFASA-N	1	0	197.366	3.589	50	0		AHAARO
CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C	ZINC000019963362	167070902	/nfs/dbraw/zinc/07/09/02/167070902.db2.gz	QMPGOTADMWFLFP-MROQNXINSA-N	1	0	197.366	3.589	50	0		AHAARO
CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C	ZINC000019995556	343065851	/nfs/dbraw/zinc/06/58/51/343065851.db2.gz	IKGBTZCFPXXLIW-ZDEQEGDKSA-N	1	0	197.366	3.589	50	0		AHAARO
CC[C@@H](C)[C@@H](C)[NH2+]C1CCCCCC1	ZINC000020003459	351399024	/nfs/dbraw/zinc/39/90/24/351399024.db2.gz	NAXSPOFMBQJUSC-VXGBXAGGSA-N	1	0	197.366	3.733	50	0		AHAARO
CC[C@H](C)[C@@H](C)[NH2+]C1CCCCCC1	ZINC000020003462	167624977	/nfs/dbraw/zinc/62/49/77/167624977.db2.gz	NAXSPOFMBQJUSC-NWDGAFQWSA-N	1	0	197.366	3.733	50	0		AHAARO
CC[C@@H](C)[C@H](C)[NH2+]C1CCCCCC1	ZINC000020003465	351399021	/nfs/dbraw/zinc/39/90/21/351399021.db2.gz	NAXSPOFMBQJUSC-NEPJUHHUSA-N	1	0	197.366	3.733	50	0		AHAARO
CC[C@H](C)[C@H](C)[NH2+]C1CCCCCC1	ZINC000020003468	343065900	/nfs/dbraw/zinc/06/59/00/343065900.db2.gz	NAXSPOFMBQJUSC-RYUDHWBXSA-N	1	0	197.366	3.733	50	0		AHAARO
CCC1CCC([NH2+][C@@H](C)C(C)C)CC1	ZINC000020306223	343071696	/nfs/dbraw/zinc/07/16/96/343071696.db2.gz	OOFIEEKDMCFOOO-HIFPTAJRSA-N	1	0	197.366	3.589	50	0		AHAARO
CCC1CCC([NH2+][C@H](C)C(C)C)CC1	ZINC000020306224	166814152	/nfs/dbraw/zinc/81/41/52/166814152.db2.gz	OOFIEEKDMCFOOO-PNESKVBLSA-N	1	0	197.366	3.589	50	0		AHAARO
CCCC1CCC([NH2+][C@@H](C)CC)CC1	ZINC000020564814	343074177	/nfs/dbraw/zinc/07/41/77/343074177.db2.gz	DXXDMIRGGSZVGH-HIFPTAJRSA-N	1	0	197.366	3.733	50	0		AHAARO
CCCC1CCC([NH2+][C@H](C)CC)CC1	ZINC000020564816	166839397	/nfs/dbraw/zinc/83/93/97/166839397.db2.gz	DXXDMIRGGSZVGH-PNESKVBLSA-N	1	0	197.366	3.733	50	0		AHAARO
CCCC[NH2+]C1CCC(CCC)CC1	ZINC000021012088	166897623	/nfs/dbraw/zinc/89/76/23/166897623.db2.gz	VBFXNLNFXMRHTM-UHFFFAOYSA-N	1	0	197.366	3.735	50	0		AHAARO
CCCCC[NH2+]C1CCC(CC)CC1	ZINC000021049938	343075195	/nfs/dbraw/zinc/07/51/95/343075195.db2.gz	WSAMAPWVNQRIIL-UHFFFAOYSA-N	1	0	197.366	3.735	50	0		AHAARO
CCC1CCC([NH2+]CCC(C)C)CC1	ZINC000021818116	343075624	/nfs/dbraw/zinc/07/56/24/343075624.db2.gz	XKFOEBYYNFNGJI-UHFFFAOYSA-N	1	0	197.366	3.591	50	0		AHAARO
CC(C)C[C@H]1CCC[C@H](CC(C)C)[NH2+]1	ZINC000034528953	351442493	/nfs/dbraw/zinc/44/24/93/351442493.db2.gz	UMEAZVHLJSCGNV-CHWSQXEVSA-N	1	0	197.366	3.589	50	0		AHAARO
CC(C)C[C@H]1CCC[C@@H](CC(C)C)[NH2+]1	ZINC000034528954	351442690	/nfs/dbraw/zinc/44/26/90/351442690.db2.gz	UMEAZVHLJSCGNV-BETUJISGSA-N	1	0	197.366	3.589	50	0		AHAARO
CC[C@H](C)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1	ZINC000035708343	343137253	/nfs/dbraw/zinc/13/72/53/343137253.db2.gz	ZAEGLLYPDBDOQY-SDDRHHMPSA-N	1	0	197.366	3.589	50	0		AHAARO
CC[C@H](C)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1	ZINC000035708345	343137235	/nfs/dbraw/zinc/13/72/35/343137235.db2.gz	ZAEGLLYPDBDOQY-SRVKXCTJSA-N	1	0	197.366	3.589	50	0		AHAARO
CC(C)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C	ZINC000037021603	351462709	/nfs/dbraw/zinc/46/27/09/351462709.db2.gz	NZJMGZFJVHZZBI-AGIUHOORSA-N	1	0	197.366	3.589	50	0		AHAARO
CC(C)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C	ZINC000037021604	351462669	/nfs/dbraw/zinc/46/26/69/351462669.db2.gz	NZJMGZFJVHZZBI-FRRDWIJNSA-N	1	0	197.366	3.589	50	0		AHAARO
CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C	ZINC000037021713	167070745	/nfs/dbraw/zinc/07/07/45/167070745.db2.gz	QMPGOTADMWFLFP-ZDEQEGDKSA-N	1	0	197.366	3.589	50	0		AHAARO
CC(C)CC[NH2+][C@@H](C)C1CCCCC1	ZINC000037199832	166447188	/nfs/dbraw/zinc/44/71/88/166447188.db2.gz	PFOYSFOMMGILBG-LBPRGKRZSA-N	1	0	197.366	3.591	50	0		AHAARO
CC(C)CC[NH2+][C@H](C)C1CCCCC1	ZINC000037199833	351464311	/nfs/dbraw/zinc/46/43/11/351464311.db2.gz	PFOYSFOMMGILBG-GFCCVEGCSA-N	1	0	197.366	3.591	50	0		AHAARO
CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(C)C	ZINC000037211445	167665797	/nfs/dbraw/zinc/66/57/97/167665797.db2.gz	MELKCMUIPDDVQW-RWMBFGLXSA-N	1	0	197.366	3.589	50	0		AHAARO
CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(C)C	ZINC000037211447	343162789	/nfs/dbraw/zinc/16/27/89/343162789.db2.gz	MELKCMUIPDDVQW-AVGNSLFASA-N	1	0	197.366	3.589	50	0		AHAARO
CC(C)[C@@H](C)[NH2+][C@@H](C)C1CCCCC1	ZINC000037249686	343164283	/nfs/dbraw/zinc/16/42/83/343164283.db2.gz	NEDZTSCCVFWNMA-NEPJUHHUSA-N	1	0	197.366	3.589	50	0		AHAARO
CC(C)[C@H](C)[NH2+][C@@H](C)C1CCCCC1	ZINC000037249688	343164116	/nfs/dbraw/zinc/16/41/16/343164116.db2.gz	NEDZTSCCVFWNMA-RYUDHWBXSA-N	1	0	197.366	3.589	50	0		AHAARO
CC(C)[C@@H](C)[NH2+][C@H](C)C1CCCCC1	ZINC000037249690	166572903	/nfs/dbraw/zinc/57/29/03/166572903.db2.gz	NEDZTSCCVFWNMA-VXGBXAGGSA-N	1	0	197.366	3.589	50	0		AHAARO
CC(C)[C@H](C)[NH2+][C@H](C)C1CCCCC1	ZINC000037249692	166602823	/nfs/dbraw/zinc/60/28/23/166602823.db2.gz	NEDZTSCCVFWNMA-NWDGAFQWSA-N	1	0	197.366	3.589	50	0		AHAARO
CCC(CC)[NH2+][C@@H](C)C1CCCCC1	ZINC000037414400	343168050	/nfs/dbraw/zinc/16/80/50/343168050.db2.gz	UHPDYACBTKUUPF-NSHDSACASA-N	1	0	197.366	3.733	50	0		AHAARO
CCC(CC)[NH2+][C@H](C)C1CCCCC1	ZINC000037414402	343168094	/nfs/dbraw/zinc/16/80/94/343168094.db2.gz	UHPDYACBTKUUPF-LLVKDONJSA-N	1	0	197.366	3.733	50	0		AHAARO
CC[C@@H](C)[NH2+]C1CCC(C(C)C)CC1	ZINC000054554362	167473518	/nfs/dbraw/zinc/47/35/18/167473518.db2.gz	HHAYIWBDPVJCNN-PNESKVBLSA-N	1	0	197.366	3.589	50	0		AHAARO
CC[C@H](C)[NH2+]C1CCC(C(C)C)CC1	ZINC000054554363	343325956	/nfs/dbraw/zinc/32/59/56/343325956.db2.gz	HHAYIWBDPVJCNN-HIFPTAJRSA-N	1	0	197.366	3.589	50	0		AHAARO
CCCC[NH2+]C1CCC(C(C)C)CC1	ZINC000054554380	343326017	/nfs/dbraw/zinc/32/60/17/343326017.db2.gz	UBGNZSZIARUFLO-UHFFFAOYSA-N	1	0	197.366	3.591	50	0		AHAARO
C#[N+]c1cc(Cl)ccc1Cl	ZINC000059544404	371639127	/nfs/dbraw/zinc/63/91/27/371639127.db2.gz	XWTFRFDJAYBRHE-UHFFFAOYSA-N	1	0	172.014	3.544	50	0		AHAARO
C[C@@H]1CC[C@@H](C)[PH+]1C1CCCC1	ZINC000060290893	168436961	/nfs/dbraw/zinc/43/69/61/168436961.db2.gz	WRXBGOZPYWMDEO-NXEZZACHSA-N	1	0	184.263	3.982	50	0		AHAARO
CC(C)(C)[PH+]1CCC=CCC1	ZINC000071769628	166375008	/nfs/dbraw/zinc/37/50/08/166375008.db2.gz	SEMABQMNYMZJFQ-UHFFFAOYSA-N	1	0	170.236	3.617	50	0		AHAARO
C#[N+]c1cc(Cl)cc(Cl)c1	ZINC000095698201	351672055	/nfs/dbraw/zinc/67/20/55/351672055.db2.gz	DCILZQJNNCXZNI-UHFFFAOYSA-N	1	0	172.014	3.544	50	0		AHAARO
C#[N+]c1ccc(Cl)c(Cl)c1	ZINC000095698202	351672058	/nfs/dbraw/zinc/67/20/58/351672058.db2.gz	FBWBBYHSAMAHNQ-UHFFFAOYSA-N	1	0	172.014	3.544	50	0		AHAARO
C#[N+]c1c(Cl)cccc1Cl	ZINC000095698203	169467342	/nfs/dbraw/zinc/46/73/42/169467342.db2.gz	CLJHUVZJZKVHFQ-UHFFFAOYSA-N	1	0	172.014	3.544	50	0		AHAARO
C#[N+]c1cccc(Cl)c1Cl	ZINC000095698204	351671857	/nfs/dbraw/zinc/67/18/57/351671857.db2.gz	PCVRZLUZDSRYDM-UHFFFAOYSA-N	1	0	172.014	3.544	50	0		AHAARO
C[C@H]1CC[C@H](C)[PH+]1C1C=CC=C1	ZINC000098074348	343704764	/nfs/dbraw/zinc/70/47/64/343704764.db2.gz	HDOVEXCDSZHHGU-UWVGGRQHSA-N	1	0	180.231	3.534	50	0		AHAARO
C[C@@H]1CC[C@@H](C)[PH+]1C1C=CC=C1	ZINC000098074351	343705063	/nfs/dbraw/zinc/70/50/63/343705063.db2.gz	HDOVEXCDSZHHGU-NXEZZACHSA-N	1	0	180.231	3.534	50	0		AHAARO
C#[N+]c1ccc(Cl)cc1Cl	ZINC000100000329	169467380	/nfs/dbraw/zinc/46/73/80/169467380.db2.gz	JJTZTTXSAKLZEO-UHFFFAOYSA-N	1	0	172.014	3.544	50	0		AHAARO
C#[N+]c1ccccc1[C@H](C)CC	ZINC000100000332	351685985	/nfs/dbraw/zinc/68/59/85/351685985.db2.gz	WQJPMLMEUPMPRO-SECBINFHSA-N	1	0	159.232	3.751	50	0		AHAARO
C#[N+]c1ccccc1[C@@H](C)CC	ZINC000100000333	351686060	/nfs/dbraw/zinc/68/60/60/351686060.db2.gz	WQJPMLMEUPMPRO-VIFPVBQESA-N	1	0	159.232	3.751	50	0		AHAARO
CC(C)=CC/C(C)=C/[NH+]1CCCCC1	ZINC000102315016	171204619	/nfs/dbraw/zinc/20/46/19/171204619.db2.gz	XIZIWDLCUJHWJK-ACCUITESSA-N	1	0	193.334	3.732	50	0		AHAARO
CC(C)C[C@@H]1CCC[C@@H](CC(C)C)[NH2+]1	ZINC000149896246	351749886	/nfs/dbraw/zinc/74/98/86/351749886.db2.gz	UMEAZVHLJSCGNV-STQMWFEESA-N	1	0	197.366	3.589	50	0		AHAARO
C#[N+]c1ccc(-c2ccc(O)cc2)cc1	ZINC000150309881	351749975	/nfs/dbraw/zinc/74/99/75/351749975.db2.gz	MDKUGDVEJBGKLD-UHFFFAOYSA-N	1	0	195.221	3.610	50	0		AHAARO
C#[N+]c1ccc2c(c1)[nH]c1ccccc12	ZINC000215974891	169468253	/nfs/dbraw/zinc/46/82/53/169468253.db2.gz	GVHHVRQOZDLNOF-UHFFFAOYSA-N	1	0	192.221	3.872	50	0		AHAARO
CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C	ZINC000238853101	167629776	/nfs/dbraw/zinc/62/97/76/167629776.db2.gz	IKGBTZCFPXXLIW-CYDGBPFRSA-N	1	0	197.366	3.589	50	0		AHAARO
CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C	ZINC000238853102	344823701	/nfs/dbraw/zinc/82/37/01/344823701.db2.gz	IKGBTZCFPXXLIW-QNWHQSFQSA-N	1	0	197.366	3.589	50	0		AHAARO
CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C	ZINC000238853103	344823624	/nfs/dbraw/zinc/82/36/24/344823624.db2.gz	IKGBTZCFPXXLIW-RNJOBUHISA-N	1	0	197.366	3.589	50	0		AHAARO
CC[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(C)C	ZINC000238854031	167665379	/nfs/dbraw/zinc/66/53/79/167665379.db2.gz	MELKCMUIPDDVQW-AGIUHOORSA-N	1	0	197.366	3.589	50	0		AHAARO
CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(C)C	ZINC000238854032	167666248	/nfs/dbraw/zinc/66/62/48/167666248.db2.gz	MELKCMUIPDDVQW-FRRDWIJNSA-N	1	0	197.366	3.589	50	0		AHAARO
CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C	ZINC000238855107	167071544	/nfs/dbraw/zinc/07/15/44/167071544.db2.gz	QMPGOTADMWFLFP-WUHRBBMRSA-N	1	0	197.366	3.589	50	0		AHAARO
CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C	ZINC000238855109	167070382	/nfs/dbraw/zinc/07/03/82/167070382.db2.gz	QMPGOTADMWFLFP-YVECIDJPSA-N	1	0	197.366	3.589	50	0		AHAARO