smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc2c(c1)cccc2C[NH2+]CCCC[NH2+]Cc1cccc2ccccc21	ZINC000002009822	206899980	/nfs/dbraw/zinc/89/99/80/206899980.db2.gz	HUTFIRDOUMNKCG-UHFFFAOYSA-N	2	0	368.524	5.653	1	0		FKAFRP
C[NH2+][C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1	ZINC000005763278	291088864	/nfs/dbraw/zinc/08/88/64/291088864.db2.gz	ZTDNKQJEIFATQN-QAKNPMBRSA-N	2	0	358.614	5.104	1	0	biogenic,in-vitro	FKAFRP
C[NH2+][C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1	ZINC000013587845	203883663	/nfs/dbraw/zinc/88/36/63/203883663.db2.gz	ODQOCJVSQCAFKC-GSTPBQSSSA-N	2	0	358.614	5.104	1	0		FKAFRP
C[NH2+][C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1	ZINC000013587850	220077549	/nfs/dbraw/zinc/07/75/49/220077549.db2.gz	NLOJUKSOUNWUSW-NLGFINLOSA-N	2	0	360.630	5.183	1	0		FKAFRP
[NH3+]CCCC[NH2+]CCCC[NH+]1CCCCCCCCCCCCCC1	ZINC000013644756	204541123	/nfs/dbraw/zinc/54/11/23/204541123.db2.gz	RQTMTFXTYWIMMB-UHFFFAOYSA-N	3	0	353.639	5.092	1	0		FKAFRP
c1ccc2c(c1)ccc[n+]2CCCCCCCC[n+]1cccc2ccccc21	ZINC000013859953	211063486	/nfs/dbraw/zinc/06/34/86/211063486.db2.gz	LGGRUTTWKKNPBL-UHFFFAOYSA-N	2	0	370.540	5.609	1	0		FKAFRP
CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]CCC[C@@H](C)[NH3+])CCC[C@]21C	ZINC000026175090	207909136	/nfs/dbraw/zinc/90/91/36/207909136.db2.gz	ZBINKVYSDZCYDZ-SXPGVMETSA-N	2	0	370.625	5.537	1	0		FKAFRP
CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[NH2+]CCC[C@@H](C)[NH3+])CCC[C@]21C	ZINC000026175100	211442937	/nfs/dbraw/zinc/44/29/37/211442937.db2.gz	ZBINKVYSDZCYDZ-LJYZBVLISA-N	2	0	370.625	5.537	1	0		FKAFRP
CC[C@@H](C)C[NH2+]CCc1ccc2ccc(CC[NH2+]C[C@@H](C)CC)cc2c1	ZINC000027655952	207935629	/nfs/dbraw/zinc/93/56/29/207935629.db2.gz	DRCDQROWAJCQKW-BGYRXZFFSA-N	2	0	354.582	5.196	1	0		FKAFRP
CC[C@@H](C)C[NH2+]CCc1ccc2ccc(CC[NH2+]C[C@H](C)CC)cc2c1	ZINC000027655956	204866750	/nfs/dbraw/zinc/86/67/50/204866750.db2.gz	DRCDQROWAJCQKW-WOJBJXKFSA-N	2	0	354.582	5.196	1	0		FKAFRP
C(CCCCCCCC[NH+]1CCCC1)CCCCCCC[NH+]1CCCC1	ZINC000028865210	204889563	/nfs/dbraw/zinc/88/95/63/204889563.db2.gz	MSTLFCKJFFYDMF-UHFFFAOYSA-N	2	0	364.662	6.639	1	0		FKAFRP
C[NH+](C)CCCNc1cc(-c2ccc3ccccc3c2)[nH+]c2ccccc12	ZINC000029480791	207991502	/nfs/dbraw/zinc/99/15/02/207991502.db2.gz	FICYCFGUUJWZSL-UHFFFAOYSA-N	2	0	355.485	5.419	1	0		FKAFRP
C1=C/[C@@H]2[C@@H](C[C@@H]3CCCC[C@@H]23)[NH2+]CCC[NH2+][C@H]2C[C@@H]3CCCC[C@H]3[C@@H]2/C=C/1	ZINC000038495366	208202693	/nfs/dbraw/zinc/20/26/93/208202693.db2.gz	ZKTFUNZCYRUILZ-ROZCUQDQSA-N	2	0	368.609	5.072	1	0		FKAFRP
Clc1ccc(C[NH2+]CCCCCC[NH2+]Cc2ccc(Cl)cc2)cc1	ZINC000045201631	205117097	/nfs/dbraw/zinc/11/70/97/205117097.db2.gz	BSMDYBWUHZEDJU-UHFFFAOYSA-N	2	0	365.348	5.433	1	0		FKAFRP
CCC[NH+](CCC)CCCCCCOc1ccc(C[NH+](CC)CC)cc1	ZINC000049034878	221017861	/nfs/dbraw/zinc/01/78/61/221017861.db2.gz	PDXYPTRGBRONQF-UHFFFAOYSA-N	2	0	362.602	5.590	1	0		FKAFRP
CC[NH+](CC)Cc1ccc(OCCCCCCCC[NH+]2CCCC2)cc1	ZINC000049036090	581095520	/nfs/dbraw/zinc/09/55/20/581095520.db2.gz	ZAAFUWUASIUWDU-UHFFFAOYSA-N	2	0	360.586	5.344	1	0		FKAFRP
CC[NH+](CC)Cc1ccc(OCCCCCCCC[NH+]2CCCCC2)cc1	ZINC000049036092	581095422	/nfs/dbraw/zinc/09/54/22/581095422.db2.gz	QJYZZKHUOILRJJ-UHFFFAOYSA-N	2	0	374.613	5.734	1	0		FKAFRP
CCCC[NH+](CCCC)CCCCOc1ccc(C[NH+](CC)CC)cc1	ZINC000049036716	208413058	/nfs/dbraw/zinc/41/30/58/208413058.db2.gz	HMZXNZBXXGPQEG-UHFFFAOYSA-N	2	0	362.602	5.590	1	0		FKAFRP
CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12	ZINC000049051392	221017601	/nfs/dbraw/zinc/01/76/01/221017601.db2.gz	VXRYQXITUHHEHO-CQSZACIVSA-N	2	0	369.431	5.056	1	0		FKAFRP
Cc1cccc2c(Nc3ccc(N4CC[N@H+](C)[C@H](C)C4)cc3)c(C)c(C)[nH+]c12	ZINC000052961981	136124788	/nfs/dbraw/zinc/12/47/88/136124788.db2.gz	ONMSNZLMBSAGLW-QGZVFWFLSA-N	2	0	374.532	5.044	1	0		FKAFRP
Cc1ccc2c(c1)[nH+]c(C)c(C)c2Nc1ccc(N2CC[N@H+](C)[C@@H](C)C2)cc1	ZINC000052962028	136124797	/nfs/dbraw/zinc/12/47/97/136124797.db2.gz	LKVQAMHRWJYSED-KRWDZBQOSA-N	2	0	374.532	5.044	1	0		FKAFRP
Cc1cccc2[nH+]c(C)c(C)c(Nc3ccc(N4CC[N@H+](C)[C@H](C)C4)cc3)c12	ZINC000052962030	136124773	/nfs/dbraw/zinc/12/47/73/136124773.db2.gz	JLEBPSNYUGYMNN-QGZVFWFLSA-N	2	0	374.532	5.044	1	0		FKAFRP
Cc1ccc2c(c1)[nH+]c(C)c(C)c2Nc1ccc(N2CC[N@H+](C)[C@H](C)C2)cc1	ZINC000053033641	136124737	/nfs/dbraw/zinc/12/47/37/136124737.db2.gz	LKVQAMHRWJYSED-QGZVFWFLSA-N	2	0	374.532	5.044	1	0		FKAFRP
Cc1[nH+]c2ccccc2c(Nc2ccc(N3CC[NH+](C)CC3)cc2)c1C(C)C	ZINC000053255565	136124695	/nfs/dbraw/zinc/12/46/95/136124695.db2.gz	JLIOUCZCOQHOPO-UHFFFAOYSA-N	2	0	374.532	5.162	1	0		FKAFRP
c1ccc2c[n+](CCCCCCC[n+]3ccc4ccccc4c3)ccc2c1	ZINC000066079888	221240515	/nfs/dbraw/zinc/24/05/15/221240515.db2.gz	WTEHSLBHHPNNTR-UHFFFAOYSA-N	2	0	356.513	5.219	1	0		FKAFRP
CC(C)(C)c1cc[n+](CCCCCCC[n+]2ccc(C(C)(C)C)cc2)cc1	ZINC000066100273	205363838	/nfs/dbraw/zinc/36/38/38/205363838.db2.gz	JKRDVRQPPOYWTL-UHFFFAOYSA-N	2	0	368.609	5.507	1	0		FKAFRP
C[NH2+][C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1	ZINC000070454177	291088862	/nfs/dbraw/zinc/08/88/62/291088862.db2.gz	NLOJUKSOUNWUSW-SVTKOXTGSA-N	2	0	360.630	5.183	1	0	biogenic,in-vitro	FKAFRP
c1ccc2c(c1)ccc[n+]2CCCCCCC[n+]1cccc2ccccc21	ZINC000071295557	221341954	/nfs/dbraw/zinc/34/19/54/221341954.db2.gz	BLMJGURMDNTUKU-UHFFFAOYSA-N	2	0	356.513	5.219	1	0		FKAFRP
CC1=[NH+]c2ccc(Cl)cc2[C@@H](c2ccccc2)N1CC[NH+]1CCCCC1	ZINC000072122966	221409643	/nfs/dbraw/zinc/40/96/43/221409643.db2.gz	DHUUHEYALVQGSS-JOCHJYFZSA-N	2	0	367.924	5.281	1	0		FKAFRP
CCC(CC)c1ccc2c(NCCC[NH2+]Cc3ccco3)cc[nH+]c2c1	ZINC000072124911	221410251	/nfs/dbraw/zinc/41/02/51/221410251.db2.gz	MRHVIKICGTXLQJ-UHFFFAOYSA-N	2	0	351.494	5.323	1	0		FKAFRP
CC[NH2+]Cc1ccc2[nH+]c(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3	ZINC000103261370	222328709	/nfs/dbraw/zinc/32/87/09/222328709.db2.gz	SHQNSNOQZLYJOO-UHFFFAOYSA-N	2	0	351.881	5.023	1	0		FKAFRP