smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@H]1CCCN1C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3)C[N@H+]21	ZINC000015708700	522834103	/nfs/dbraw/zinc/83/41/03/522834103.db2.gz	KJCVJXPRDASSDP-NMLBUPMWSA-N	1	1	428.533	0.775	10	0	biogenic	ICAEMO
COC[C@H]1CCCN1C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3)C[N@@H+]21	ZINC000015708700	522834095	/nfs/dbraw/zinc/83/40/95/522834095.db2.gz	KJCVJXPRDASSDP-NMLBUPMWSA-N	1	1	428.533	0.775	10	0	biogenic	ICAEMO
COCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000015868894	556559693	/nfs/dbraw/zinc/55/96/93/556559693.db2.gz	ZVWDNYDTGSLBAY-UHFFFAOYSA-N	1	1	425.960	0.212	10	0		ICAEMO
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCOCC3)C2)C1	ZINC000015895373	563018345	/nfs/dbraw/zinc/01/83/45/563018345.db2.gz	HVKYEAWVKUJXKK-GUDVDZBRSA-N	1	1	430.615	0.760	10	0		ICAEMO
C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCOCC3)C2)C1	ZINC000015895377	563018357	/nfs/dbraw/zinc/01/83/57/563018357.db2.gz	HVKYEAWVKUJXKK-CEXWTWQISA-N	1	1	430.615	0.760	10	0		ICAEMO
CC[NH+]1CCN(C(=O)Cn2c3ccc(S(=O)(=O)N4CCCCC4)cc3oc2=O)CC1	ZINC000020356748	557010793	/nfs/dbraw/zinc/01/07/93/557010793.db2.gz	UWNQSCJXSOZHDT-UHFFFAOYSA-N	1	1	436.534	0.933	10	0		ICAEMO
COc1cccc2c1cc1c(=O)n(CC(=O)NCCC[NH+]3CCN(C)CC3)nc(C)n12	ZINC000020384549	563024586	/nfs/dbraw/zinc/02/45/86/563024586.db2.gz	NYVVSEDDZAFGGM-UHFFFAOYSA-N	1	1	426.521	0.720	10	0		ICAEMO
C[N@@H+](CCc1ccccc1)[C@H]1[C@@H](CNS(=O)(=O)c2cccs2)O[C@@H](CO)[C@H]1O	ZINC000020465776	522955340	/nfs/dbraw/zinc/95/53/40/522955340.db2.gz	NOAZZZVHZSQHEF-KCITZHQASA-N	1	1	426.560	0.690	10	0		ICAEMO
CN(C)c1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[N@@H+](C)CCc2ccccn2)cc1	ZINC000020465866	522151348	/nfs/dbraw/zinc/15/13/48/522151348.db2.gz	PDLTVZCRQXJQGA-CLAROIROSA-N	1	1	428.533	0.541	10	0	biogenic	ICAEMO
CC[NH+]1CCN(C(=O)[C@@H]2Cc3cc(S(=O)(=O)N4CCCC4)ccc3N2C(C)=O)CC1	ZINC000021635907	521667967	/nfs/dbraw/zinc/66/79/67/521667967.db2.gz	AENCYFAGSFNVJL-FQEVSTJZSA-N	1	1	434.562	0.913	10	0		ICAEMO
CC[NH+]1CCN(C(=O)[C@H]2Cc3cc(S(=O)(=O)N4CCCC4)ccc3N2C(C)=O)CC1	ZINC000021635914	521669105	/nfs/dbraw/zinc/66/91/05/521669105.db2.gz	AENCYFAGSFNVJL-HXUWFJFHSA-N	1	1	434.562	0.913	10	0		ICAEMO
C[N@H+]1[C@@H]2CCN(Cc3ccc(O)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCC(O)CC1	ZINC000022923691	556341917	/nfs/dbraw/zinc/34/19/17/556341917.db2.gz	YQWFXZPWBTUCIJ-WEYGHZABSA-N	1	1	430.549	0.529	10	0	biogenic	ICAEMO
C[N@H+]1[C@@H]2CCN(Cc3ccc(F)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCC(O)CC1	ZINC000035442569	524031388	/nfs/dbraw/zinc/03/13/88/524031388.db2.gz	OCJKCSBVNZBMHE-DWLFOUALSA-N	1	1	432.540	0.962	10	0	biogenic	ICAEMO
Cc1cccc(C(=O)N(CCCN2CCCC2=O)CCS(=O)(=O)N2CC[NH2+]CC2)c1	ZINC000035512153	524164846	/nfs/dbraw/zinc/16/48/46/524164846.db2.gz	YTEIWSCOTQNTFK-UHFFFAOYSA-N	1	1	436.578	0.685	10	0		ICAEMO
COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)N1CCCC1)C2	ZINC000035911180	525551536	/nfs/dbraw/zinc/55/15/36/525551536.db2.gz	FNQYFYJVLNONHJ-IFMALSPDSA-N	1	1	442.560	0.839	10	0		ICAEMO
COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)N1CCCC1)C2	ZINC000035911180	525551529	/nfs/dbraw/zinc/55/15/29/525551529.db2.gz	FNQYFYJVLNONHJ-IFMALSPDSA-N	1	1	442.560	0.839	10	0		ICAEMO
C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCOCC3)C2)C1	ZINC000036208090	563092005	/nfs/dbraw/zinc/09/20/05/563092005.db2.gz	HVKYEAWVKUJXKK-OTWHNJEPSA-N	1	1	430.615	0.760	10	0		ICAEMO
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCOCC3)C2)C1	ZINC000036208094	563092067	/nfs/dbraw/zinc/09/20/67/563092067.db2.gz	HVKYEAWVKUJXKK-QRVBRYPASA-N	1	1	430.615	0.760	10	0		ICAEMO
O=C(c1ccccc1F)N(CCCN1CCOCC1)CCS(=O)(=O)N1CC[NH2+]CC1	ZINC000046140825	556691861	/nfs/dbraw/zinc/69/18/61/556691861.db2.gz	NFNHIRPVKMFGBU-UHFFFAOYSA-N	1	1	442.557	0.225	10	0		ICAEMO
CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@@H](O)[C@@H]3OC(C)(C)O[C@H]32)[N@@H+](C)C1	ZINC000077301446	556998680	/nfs/dbraw/zinc/99/86/80/556998680.db2.gz	XPKQFOFFVUHLPH-PDHNTLBMSA-N	1	1	446.610	0.941	10	0	in-vitro	ICAEMO
CCC[C@H]1C[C@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@@H](O)[C@@H]3OC(C)(C)O[C@H]32)[N@@H+](C)C1	ZINC000077301450	556998748	/nfs/dbraw/zinc/99/87/48/556998748.db2.gz	XPKQFOFFVUHLPH-BZPINNDDSA-N	1	1	446.610	0.941	10	0	in-vitro	ICAEMO
CN1C[C@H](NC(=O)c2ccc3c(c2)OCO3)CCC[C@@H](C(=O)N2CC[NH+](C)CC2)CC1=O	ZINC000096113244	291312046	/nfs/dbraw/zinc/31/20/46/291312046.db2.gz	LWTXBWOCBIIKIE-QZTJIDSGSA-N	1	1	444.532	0.936	10	0	biogenic	ICAEMO
CCOC(=O)[C@H]([NH3+])Cn1cnc(I)c1I	ZINC000308956495	556718583	/nfs/dbraw/zinc/71/85/83/556718583.db2.gz	YVEBXNZHHIQYNA-RXMQYKEDSA-N	1	1	435.003	0.983	10	0		ICAEMO
CCOC(=O)[C@@H]([NH3+])Cn1cnc(I)c1I	ZINC000308956496	557317217	/nfs/dbraw/zinc/31/72/17/557317217.db2.gz	YVEBXNZHHIQYNA-YFKPBYRVSA-N	1	1	435.003	0.983	10	0		ICAEMO
COC(=O)[C@](C)([NH3+])Cn1cnc(I)c1I	ZINC000379776308	568615287	/nfs/dbraw/zinc/61/52/87/568615287.db2.gz	CVGVGKSCDSYCFM-MRVPVSSYSA-N	1	1	435.003	0.983	10	0		ICAEMO
COC(=O)[C@@](C)([NH3+])Cn1cnc(I)c1I	ZINC000379776319	568615334	/nfs/dbraw/zinc/61/53/34/568615334.db2.gz	CVGVGKSCDSYCFM-QMMMGPOBSA-N	1	1	435.003	0.983	10	0		ICAEMO