smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c(-c3c(O)cc(OC)c4c3C[C@@H](C)[N@@H+](C)[C@@H]4C)c(C)cc(OC)c12	ZINC000001635104	291294199	/nfs/dbraw/zinc/29/41/99/291294199.db2.gz	DJKKAJMAHBJDCM-HZPDHXFCSA-N	1	1	421.537	5.484	1	0	biogenic,in-vitro	HKAFMO
CC[N@@H+](CCCCCCC(=O)c1ccc(OC)c(OC)c1)Cc1ccccc1OC	ZINC000003785303	581095495	/nfs/dbraw/zinc/09/54/95/581095495.db2.gz	LBJJMNMZFVILMW-UHFFFAOYSA-N	1	1	413.558	5.368	1	0		HKAFMO
CC[N@@H+](CCCCCC(=O)c1ccc(N2CCCC2)cc1)Cc1ccccc1OC	ZINC000003785311	581095531	/nfs/dbraw/zinc/09/55/31/581095531.db2.gz	GGFUMRNRAPYKQU-UHFFFAOYSA-N	1	1	408.586	5.561	1	0		HKAFMO
C[N@H+]1CCCC[C@H]1[C@@H](NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccccc1	ZINC000003819066	560189717	/nfs/dbraw/zinc/18/97/17/560189717.db2.gz	XPXKFXNVIAOBEI-HKUYNNGSSA-N	1	1	410.867	5.314	1	0	in-vitro	HKAFMO
Cc1nc2ccccc2c(Nc2ccc(N3CC[N@H+](C)[C@@H](C)C3)cc2)c1-c1ccccc1	ZINC000003962678	132269563	/nfs/dbraw/zinc/26/95/63/132269563.db2.gz	IJXRJXMYHWPNMW-FQEVSTJZSA-N	1	1	422.576	6.094	1	0		HKAFMO
Cc1nc2ccccc2c(Nc2ccc(N3CC[N@@H+](C)[C@@H](C)C3)cc2)c1-c1ccccc1	ZINC000003962678	132269565	/nfs/dbraw/zinc/26/95/65/132269565.db2.gz	IJXRJXMYHWPNMW-FQEVSTJZSA-N	1	1	422.576	6.094	1	0		HKAFMO
O=C(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1c2ccccc2Sc2ccc(Cl)cc21	ZINC000005537499	132306607	/nfs/dbraw/zinc/30/66/07/132306607.db2.gz	XEJPICPNWDTWAV-FUHWJXTLSA-N	1	1	412.986	6.124	1	0		HKAFMO
Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4csc5ccccc45)c3)cc12	ZINC000014957839	581091675	/nfs/dbraw/zinc/09/16/75/581091675.db2.gz	YULFZKNFQQGIAT-IBGZPJMESA-N	1	1	414.534	5.097	1	0		HKAFMO
Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5ccccc5c4)c3)cc12	ZINC000014957844	581091683	/nfs/dbraw/zinc/09/16/83/581091683.db2.gz	MERRRAMHGZHLJY-QHCPKHFHSA-N	1	1	408.505	5.035	1	0		HKAFMO
Cc1[nH]nc2ccc(-c3cncc(SC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12	ZINC000014957896	581091695	/nfs/dbraw/zinc/09/16/95/581091695.db2.gz	VTKDDGLPRHAYLO-IBGZPJMESA-N	1	1	413.550	5.077	1	0		HKAFMO
Cc1[nH]nc2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccco3)cc12	ZINC000035969548	581091582	/nfs/dbraw/zinc/09/15/82/581091582.db2.gz	BMZLSZWHTJZVBV-FQEVSTJZSA-N	1	1	424.504	5.142	1	0		HKAFMO
COc1cccc2cc(C)c(-c3c(O)cc4c(c3OC)[C@@H](C)[N@H+](C)[C@@H](C)C4)c(O)c21	ZINC000040874580	291293387	/nfs/dbraw/zinc/29/33/87/291293387.db2.gz	UKOYLRKCEGOLOJ-LSDHHAIUSA-N	1	1	407.510	5.181	1	0	biogenic,in-vitro	HKAFMO
C[C@]12C[C@H](C[C@H](c3ccccc3)C1)[N@@H+](CCN1CCN(c3cccc(Cl)c3)C1=O)C2	ZINC000043021136	581092144	/nfs/dbraw/zinc/09/21/44/581092144.db2.gz	NNCTXKNNQUMOPC-GRYUFTJMSA-N	1	1	423.988	5.240	1	0		HKAFMO
C[C@]12C[C@H](C[C@@H](c3ccccc3)C1)[N@@H+](CCN1CCN(c3cccc(Cl)c3)C1=O)C2	ZINC000045231441	581092254	/nfs/dbraw/zinc/09/22/54/581092254.db2.gz	NNCTXKNNQUMOPC-JHMXWDHMSA-N	1	1	423.988	5.240	1	0		HKAFMO
Cc1[nH]nc2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccoc3)cc12	ZINC000045351201	581091691	/nfs/dbraw/zinc/09/16/91/581091691.db2.gz	FWGNLCUYKHRQFM-NRFANRHFSA-N	1	1	424.504	5.142	1	0		HKAFMO
CC[C@@]12CCC[N@H+]3CC[C@]4(c5ccc(OC)c(O)c5N(c5ccccc5)[C@@H]4CC1)[C@H]32	ZINC000069482266	291292460	/nfs/dbraw/zinc/29/24/60/291292460.db2.gz	JTXSASOKPOYSFV-JLZPKONASA-N	1	1	404.554	5.217	1	0	biogenic,in-vitro	HKAFMO
CC1=C2C[C@]34CC[C@@H](C)[C@@]2(CC1)[C@@]3(C)CC1=CCC2=C1[C@@]41C=C[C@]3(CCC[C@@]34C[N@@H+]41)C2	ZINC000085548121	291290046	/nfs/dbraw/zinc/29/00/46/291290046.db2.gz	QAODPFWMQBRVFP-JBLPOJJBSA-N	1	1	411.633	6.877	1	0	biogenic,in-vitro	HKAFMO
CC1=C2C[C@]34CC[C@@H](C)[C@@]2(CC1)[C@@]3(C)CC1=CCC2=C1[C@@]41C=C[C@]3(CCC[C@@]34C[N@H+]41)C2	ZINC000085548121	291290048	/nfs/dbraw/zinc/29/00/48/291290048.db2.gz	QAODPFWMQBRVFP-JBLPOJJBSA-N	1	1	411.633	6.877	1	0	biogenic,in-vitro	HKAFMO
CC1=C2C[C@@]34[C@H]5CC[C@@H](C6=CCC7=C6[C@H]3[N@H+]3C[C@@]36CCC[C@H]6C7)[C@]4(C)[C@]2(CC1)[C@H](C)C5	ZINC000085548172	291290057	/nfs/dbraw/zinc/29/00/57/291290057.db2.gz	ALLKUGHSKORXDO-OCSSWFJUSA-N	1	1	413.649	6.813	1	0	biogenic,in-vitro	HKAFMO
CC1=C2C[C@@]34CC[C@H]5CCC[C@@H](C6=CCC7=C6[C@@H]3[N@H+]3C[C@]36CCC[C@@H]6C7)[C@]4(C)[C@@]25CC1	ZINC000085548190	291289724	/nfs/dbraw/zinc/28/97/24/291289724.db2.gz	OGBNNUCMJFMTRR-UWIQKGHMSA-N	1	1	413.649	6.957	1	0	biogenic,in-vitro	HKAFMO
COc1cccc2c(-c3c(OC)cc(OC)c4c3C[C@H](C)[N@@H+](C)[C@@H]4C)ccc(OC)c12	ZINC000095486019	291294381	/nfs/dbraw/zinc/29/43/81/291294381.db2.gz	JTWIKSOWCMKKAL-JKSUJKDBSA-N	1	1	421.537	5.479	1	0	biogenic,in-vitro	HKAFMO