smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)c([C@@H]([NH3+])[C@H]([NH3+])c2c(C)cc(C)cc2C)c(C)c1	ZINC000022036266	171350320	/nfs/dbraw/zinc/35/03/20/171350320.db2.gz	ILMRHFMYIXTNMC-WOJBJXKFSA-N	2	2	296.458	4.237	50	0		CIAALP
CCC[C@@H](C)c1c(-c2ccccc2)[nH+]cn1Cc1[nH]cc[nH+]1	ZINC000067458143	567196885	/nfs/dbraw/zinc/19/68/85/567196885.db2.gz	CVVHQIQRCHAKLG-CQSZACIVSA-N	2	2	294.402	4.225	50	0		CIAALP
Cc1cc(C)c([C@H]([NH3+])[C@@H]([NH3+])c2c(C)cc(C)cc2C)c(C)c1	ZINC000019367075	567877750	/nfs/dbraw/zinc/87/77/50/567877750.db2.gz	ILMRHFMYIXTNMC-PMACEKPBSA-N	2	2	296.458	4.237	50	0		CIAALP
CC(C)n1cc[nH+]c1-c1ccc([C@H](C)[NH+]2CCCC2)cc1	ZINC000426627851	566991783	/nfs/dbraw/zinc/99/17/83/566991783.db2.gz	UXLZOYXMCFJRMS-HNNXBMFYSA-N	2	2	283.419	4.288	50	0		CIAALP
CC[C@@H](C)[N@H+](Cc1c[nH+]c(C)[nH]1)Cc1ccccc1Cl	ZINC000055309581	570242395	/nfs/dbraw/zinc/24/23/95/570242395.db2.gz	VNEWKNATXPOAJO-GFCCVEGCSA-N	2	2	291.826	4.172	50	0		CIAALP
CC[C@@H](C)[N@@H+](Cc1c[nH+]c(C)[nH]1)Cc1ccccc1Cl	ZINC000055309581	570242398	/nfs/dbraw/zinc/24/23/98/570242398.db2.gz	VNEWKNATXPOAJO-GFCCVEGCSA-N	2	2	291.826	4.172	50	0		CIAALP
CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2Cl)CC1	ZINC000089840166	567027320	/nfs/dbraw/zinc/02/73/20/567027320.db2.gz	DAGVPGQCKLGEOQ-AWEZNQCLSA-N	2	2	294.870	4.111	50	0		CIAALP
c1cn(CC[C@H]([NH2+]C2CCCCCC2)c2ccccc2)c[nH+]1	ZINC000032547846	567860872	/nfs/dbraw/zinc/86/08/72/567860872.db2.gz	ZGFQVKVVXMTPSX-IBGZPJMESA-N	2	2	297.446	4.327	50	0		CIAALP
CC[C@H](C)[N@H+](Cc1c[nH+]c(C)[nH]1)Cc1ccccc1Cl	ZINC000055309583	570242488	/nfs/dbraw/zinc/24/24/88/570242488.db2.gz	VNEWKNATXPOAJO-LBPRGKRZSA-N	2	2	291.826	4.172	50	0		CIAALP
CC[C@H](C)[N@@H+](Cc1c[nH+]c(C)[nH]1)Cc1ccccc1Cl	ZINC000055309583	570242493	/nfs/dbraw/zinc/24/24/93/570242493.db2.gz	VNEWKNATXPOAJO-LBPRGKRZSA-N	2	2	291.826	4.172	50	0		CIAALP
CC[C@@H](C)c1c(-c2ccccc2)[nH+]cn1CCCCC[NH3+]	ZINC000065531597	570244384	/nfs/dbraw/zinc/24/43/84/570244384.db2.gz	HUVZYFFCYNXRSL-OAHLLOKOSA-N	2	2	285.435	4.193	50	0		CIAALP
c1cn(-c2ccc(C[NH2+]C3CCCCCCC3)cc2)c[nH+]1	ZINC000034991133	566841995	/nfs/dbraw/zinc/84/19/95/566841995.db2.gz	WURUWQNVXGWSGV-UHFFFAOYSA-N	2	2	283.419	4.075	50	0		CIAALP
C[NH+](C)CC(C)(C)Cn1c[nH+]c(-c2ccccc2)c1C1CC1	ZINC000065451884	567899200	/nfs/dbraw/zinc/89/92/00/567899200.db2.gz	XDFJZQJTTGMEKI-UHFFFAOYSA-N	2	2	297.446	4.015	50	0		CIAALP
Cc1cc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)c[nH+]c1N	ZINC000065381689	175725334	/nfs/dbraw/zinc/72/53/34/175725334.db2.gz	DAOFZLXFNUYGNF-OAHLLOKOSA-N	2	2	295.430	4.186	50	0		CIAALP
Cc1cc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)c[nH+]c1N	ZINC000065381690	567898515	/nfs/dbraw/zinc/89/85/15/567898515.db2.gz	DAOFZLXFNUYGNF-HNNXBMFYSA-N	2	2	295.430	4.186	50	0		CIAALP
CCCc1[nH]cc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)[nH+]1	ZINC000426674426	566992051	/nfs/dbraw/zinc/99/20/51/566992051.db2.gz	YSCQMPVFLYCNCM-AWEZNQCLSA-N	2	2	283.419	4.186	50	0		CIAALP
c1cn(CC[C@@H]([NH2+]C2CCCCCC2)c2ccccc2)c[nH+]1	ZINC000032547847	567860990	/nfs/dbraw/zinc/86/09/90/567860990.db2.gz	ZGFQVKVVXMTPSX-LJQANCHMSA-N	2	2	297.446	4.327	50	0		CIAALP
CC1=[NH+]c2ccccc2/C1=C/C=C1/C=CC=C(C)[N@H+]1C	ZINC000334157111	206120037	/nfs/dbraw/zinc/12/00/37/206120037.db2.gz	SLUKDXBZQNFQPW-UKVBVZPVSA-N	2	2	262.356	4.465	50	0		CIAALP
CC1=[NH+]c2ccccc2/C1=C/C=C1/C=CC=C(C)[N@@H+]1C	ZINC000334157111	206120038	/nfs/dbraw/zinc/12/00/38/206120038.db2.gz	SLUKDXBZQNFQPW-UKVBVZPVSA-N	2	2	262.356	4.465	50	0		CIAALP
Cc1cccc(C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)c1	ZINC000078725196	177376696	/nfs/dbraw/zinc/37/66/96/177376696.db2.gz	HQKDRAXXNDMNRW-QGZVFWFLSA-N	2	2	296.458	4.214	50	0		CIAALP
CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2Cl)CC1	ZINC000089840167	567026978	/nfs/dbraw/zinc/02/69/78/567026978.db2.gz	DAGVPGQCKLGEOQ-CQSZACIVSA-N	2	2	294.870	4.111	50	0		CIAALP
Cc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C(C)C)C1	ZINC000095374433	567909306	/nfs/dbraw/zinc/90/93/06/567909306.db2.gz	NMMUDQSLWLFATG-SFHVURJKSA-N	2	2	297.446	4.152	50	0		CIAALP
Cc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C(C)C)C1	ZINC000095374433	567909307	/nfs/dbraw/zinc/90/93/07/567909307.db2.gz	NMMUDQSLWLFATG-SFHVURJKSA-N	2	2	297.446	4.152	50	0		CIAALP
CC(C)(C)c1[nH+]ccn1C1CC[NH+](Cc2ccccc2)CC1	ZINC000067880796	567900472	/nfs/dbraw/zinc/90/04/72/567900472.db2.gz	FQDMQCZWEUUABL-UHFFFAOYSA-N	2	2	297.446	4.018	50	0		CIAALP
CC[C@H](C)c1c(-c2ccccc2)[nH+]cn1CCCCC[NH3+]	ZINC000065531599	570244340	/nfs/dbraw/zinc/24/43/40/570244340.db2.gz	HUVZYFFCYNXRSL-HNNXBMFYSA-N	2	2	285.435	4.193	50	0		CIAALP
Cc1cc(C)c([C@@H]([NH3+])[C@@H]([NH3+])c2c(C)cc(C)cc2C)c(C)c1	ZINC000044075606	175140834	/nfs/dbraw/zinc/14/08/34/175140834.db2.gz	ILMRHFMYIXTNMC-BGYRXZFFSA-N	2	2	296.458	4.237	50	0		CIAALP
CCCc1[nH]cc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)[nH+]1	ZINC000426674427	566991560	/nfs/dbraw/zinc/99/15/60/566991560.db2.gz	YSCQMPVFLYCNCM-CQSZACIVSA-N	2	2	283.419	4.186	50	0		CIAALP
CC1=[NH+]c2ccc(C)cc2/C1=C\C=C1C=C[NH+](C)C=C1	ZINC000334157088	206120236	/nfs/dbraw/zinc/12/02/36/206120236.db2.gz	HSODZLKRNDIKEN-SOFYXZRVSA-N	2	2	262.356	4.384	50	0		CIAALP
[NH3+][C@H]1CC[C@@H](n2cc[nH+]c2-c2cccc3ccccc32)CC1	ZINC000247711948	566971775	/nfs/dbraw/zinc/97/17/75/566971775.db2.gz	KEVNLKFCLUAYTA-IYBDPMFKSA-N	2	2	291.398	4.146	50	0		CIAALP
CC(C)n1cc[nH+]c1-c1ccc([C@@H](C)[NH+]2CCCC2)cc1	ZINC000426627852	566990385	/nfs/dbraw/zinc/99/03/85/566990385.db2.gz	UXLZOYXMCFJRMS-OAHLLOKOSA-N	2	2	283.419	4.288	50	0		CIAALP
CCC[C@H](C)c1c(-c2ccccc2)[nH+]cn1Cc1[nH]cc[nH+]1	ZINC000067458146	567197228	/nfs/dbraw/zinc/19/72/28/567197228.db2.gz	CVVHQIQRCHAKLG-AWEZNQCLSA-N	2	2	294.402	4.225	50	0		CIAALP
CC1=[NH+]c2ccc(C)cc2/C1=C/C=C1C=C[NH+](C)C=C1	ZINC000082108654	570395785	/nfs/dbraw/zinc/39/57/85/570395785.db2.gz	HSODZLKRNDIKEN-OMCISZLKSA-N	2	2	262.356	4.384	50	0		CIAALP
Cc1cccc(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1	ZINC000078725194	177376649	/nfs/dbraw/zinc/37/66/49/177376649.db2.gz	HQKDRAXXNDMNRW-KRWDZBQOSA-N	2	2	296.458	4.214	50	0		CIAALP
Cc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C(C)C)C1	ZINC000095374434	567909406	/nfs/dbraw/zinc/90/94/06/567909406.db2.gz	NMMUDQSLWLFATG-GOSISDBHSA-N	2	2	297.446	4.152	50	0		CIAALP
Cc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C(C)C)C1	ZINC000095374434	567909407	/nfs/dbraw/zinc/90/94/07/567909407.db2.gz	NMMUDQSLWLFATG-GOSISDBHSA-N	2	2	297.446	4.152	50	0		CIAALP