smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]([NH3+])c1ccc(C(C)(C)C)cc1[O-]	238424510	573519028	/nfs/dbraw/zinc/51/90/28/573519028.db2.gz	WKWAELMKMCZPRK-QMMMGPOBSA-N	0	3	193.290	2.709	10	10		AFCEHN
C[C@H]1CCC[C@@H](c2ccccc2[O-])[NH2+]1	258058360	573530645	/nfs/dbraw/zinc/53/06/45/573530645.db2.gz	SIZISLFGZTZGJP-ONGXEEELSA-N	0	3	191.274	2.595	10	10		AFCEHN
CC(C)c1ccc([O-])c(C(C)(C)[NH3+])c1	258072848	573636126	/nfs/dbraw/zinc/63/61/26/573636126.db2.gz	MLDPVPWHYRCMMF-UHFFFAOYSA-N	0	3	193.290	2.709	10	10		AFCEHN
CC1(C)CC[C@H](c2ccccc2[O-])[NH2+]1	258082453	573658339	/nfs/dbraw/zinc/65/83/39/573658339.db2.gz	VXDIDUMQLHPAMH-SNVBAGLBSA-N	0	3	191.274	2.595	10	10		AFCEHN
Cc1ccc(C(C)C)c([O-])c1[C@@H](C)[NH3+]	75845445	573704124	/nfs/dbraw/zinc/70/41/24/573704124.db2.gz	KNJFPFRZPWHWBL-SECBINFHSA-N	0	3	193.290	2.844	10	10		AFCEHN
[O-]c1ccccc1[C@@H]1CCCCC[NH2+]1	75868599	573720852	/nfs/dbraw/zinc/72/08/52/573720852.db2.gz	OQQWTNGZSILWAJ-NSHDSACASA-N	0	3	191.274	2.597	10	10		AFCEHN
Cc1cccc([O-])c1[C@H]1CCCC[NH2+]1	238537053	573845807	/nfs/dbraw/zinc/84/58/07/573845807.db2.gz	RBDZQCUWCLDXQT-SNVBAGLBSA-N	0	3	191.274	2.515	10	10		AFCEHN
Cc1cccc([C@@H]([NH3+])C(C)(C)C)c1[O-]	238541689	573853072	/nfs/dbraw/zinc/85/30/72/573853072.db2.gz	AWGBNHNQWIUHFK-LLVKDONJSA-N	0	3	193.290	2.747	10	10		AFCEHN
Cc1cc([O-])c([C@H]([NH3+])C(C)C)cc1C	238169476	573857999	/nfs/dbraw/zinc/85/79/99/573857999.db2.gz	HZKHDLGRXRQCHD-GFCCVEGCSA-N	0	3	193.290	2.665	10	10		AFCEHN
Cc1cc([O-])c([C@@H]([NH3+])C(C)C)cc1C	238170072	573864536	/nfs/dbraw/zinc/86/45/36/573864536.db2.gz	HZKHDLGRXRQCHD-LBPRGKRZSA-N	0	3	193.290	2.665	10	10		AFCEHN
C[C@@H](F)c1ccc([O-])c(C(C)(C)[NH3+])c1	258171035	573879204	/nfs/dbraw/zinc/87/92/04/573879204.db2.gz	VUCVIPLZKFWVSG-SSDOTTSWSA-N	0	3	197.253	2.617	10	10		AFCEHN
C[C@H](F)c1ccc([O-])c(C(C)(C)[NH3+])c1	258171038	573879731	/nfs/dbraw/zinc/87/97/31/573879731.db2.gz	VUCVIPLZKFWVSG-ZETCQYMHSA-N	0	3	197.253	2.617	10	10		AFCEHN
Cc1ccc(C)c(C[NH2+]C(C)C)c1[O-]	238185844	573920477	/nfs/dbraw/zinc/92/04/77/573920477.db2.gz	YRRLLYDNVQUWLU-UHFFFAOYSA-N	0	3	193.290	2.507	10	10		AFCEHN
CCC[C@@H]([NH3+])c1cc(C)c(C)cc1[O-]	238229710	573975902	/nfs/dbraw/zinc/97/59/02/573975902.db2.gz	HNKRKOSXANSFDA-LLVKDONJSA-N	0	3	193.290	2.809	10	10		AFCEHN
CC(C)c1ccc([O-])c([C@@H]2CC[NH2+]2)c1	104461721	573989270	/nfs/dbraw/zinc/98/92/70/573989270.db2.gz	HRHCEPRGRIKIGP-NSHDSACASA-N	0	3	191.274	2.550	10	10		AFCEHN
Cc1cc(C)c(C(C)(C)[NH3+])c([O-])c1C	259274114	574017760	/nfs/dbraw/zinc/01/77/60/574017760.db2.gz	BATRAIYOYSWAGZ-UHFFFAOYSA-N	0	3	193.290	2.511	10	10		AFCEHN
CCC[C@@H]([NH3+])c1cc(F)c(C)cc1[O-]	104508604	574018353	/nfs/dbraw/zinc/01/83/53/574018353.db2.gz	RXJGTQUSWUJFMS-SNVBAGLBSA-N	0	3	197.253	2.640	10	10		AFCEHN
CC[C@@H]([NH3+])c1ccc(Cl)c(C)c1[O-]	104513015	574021636	/nfs/dbraw/zinc/02/16/36/574021636.db2.gz	PWVXEKIBZKYCKX-SECBINFHSA-N	0	3	199.681	2.764	10	10		AFCEHN
CC[NH2+][C@H](CC)c1ccc(C)cc1[O-]	379598296	1169588953	/nfs/dbraw/zinc/58/89/53/1169588953.db2.gz	HFXFQXCBSFUWSL-LLVKDONJSA-N	0	3	193.290	2.761	10	10		AFCEHN
CC[NH2+][C@@H](CC)c1ccc(C)cc1[O-]	379598297	1169589523	/nfs/dbraw/zinc/58/95/23/1169589523.db2.gz	HFXFQXCBSFUWSL-NSHDSACASA-N	0	3	193.290	2.761	10	10		AFCEHN
CCC(C)(C)c1ccc([O-])c(C[NH3+])c1	39259371	571918103	/nfs/dbraw/zinc/91/81/03/571918103.db2.gz	VJARAOKREKAHCK-UHFFFAOYSA-N	0	3	193.290	2.539	10	10		AFCEHN
Cc1cnccc1Nc1ccc(N)cc1	70046150	572172206	/nfs/dbraw/zinc/17/22/06/572172206.db2.gz	VEQGTLSHXGXYOA-UHFFFAOYSA-N	0	3	199.257	2.716	10	10		AFCEHN
Cc1ccc([O-])c([C@@H](C)[NH2+]C(C)C)c1	35628469	572180518	/nfs/dbraw/zinc/18/05/18/572180518.db2.gz	PBGWJMRXHBIFHC-SNVBAGLBSA-N	0	3	193.290	2.760	10	10		AFCEHN
Cc1ccc([O-])c([C@H](C)[NH2+]C(C)C)c1	35628470	572180887	/nfs/dbraw/zinc/18/08/87/572180887.db2.gz	PBGWJMRXHBIFHC-JTQLQIEISA-N	0	3	193.290	2.760	10	10		AFCEHN
CCCC[C@H]([NH3+])c1c(C)cccc1[O-]	238217502	572348731	/nfs/dbraw/zinc/34/87/31/572348731.db2.gz	LDJIWCNTIJZUFE-JTQLQIEISA-N	0	3	193.290	2.891	10	10		AFCEHN
CCCC[C@@H]([NH3+])c1c(C)cccc1[O-]	238793100	572413876	/nfs/dbraw/zinc/41/38/76/572413876.db2.gz	LDJIWCNTIJZUFE-SNVBAGLBSA-N	0	3	193.290	2.891	10	10		AFCEHN
CC[NH2+][C@@](C)(CC)c1ccccc1[O-]	238258158	572471333	/nfs/dbraw/zinc/47/13/33/572471333.db2.gz	RJJYXSDIUUARLH-LBPRGKRZSA-N	0	3	193.290	2.627	10	10		AFCEHN
Cc1cc(Cl)c(C)c([O-])c1[C@@H](C)[NH3+]	75068369	572802094	/nfs/dbraw/zinc/80/20/94/572802094.db2.gz	QELRWJFMFQMFRX-SSDOTTSWSA-N	0	3	199.681	2.682	10	10		AFCEHN
Cc1cc(Cl)c(C)c([O-])c1[C@H](C)[NH3+]	75068370	572803078	/nfs/dbraw/zinc/80/30/78/572803078.db2.gz	QELRWJFMFQMFRX-ZETCQYMHSA-N	0	3	199.681	2.682	10	10		AFCEHN
Cc1cc(Cl)c(C)c([C@@H](C)[NH3+])c1[O-]	71457033	572821110	/nfs/dbraw/zinc/82/11/10/572821110.db2.gz	BZCFTAIVXPFMCQ-SSDOTTSWSA-N	0	3	199.681	2.682	10	10		AFCEHN
Cc1cc(Cl)c(C)c([C@H](C)[NH3+])c1[O-]	71457034	572822688	/nfs/dbraw/zinc/82/26/88/572822688.db2.gz	BZCFTAIVXPFMCQ-ZETCQYMHSA-N	0	3	199.681	2.682	10	10		AFCEHN
CC(C)c1cc(Cl)cc(C[NH3+])c1[O-]	71455795	572824041	/nfs/dbraw/zinc/82/40/41/572824041.db2.gz	RUEQOXZCIUBMMI-UHFFFAOYSA-N	0	3	199.681	2.628	10	10		AFCEHN
CCC[C@H]([NH3+])c1c(C)cccc1[O-]	238241558	572997653	/nfs/dbraw/zinc/99/76/53/572997653.db2.gz	FBYXNMMYUQJBGM-VIFPVBQESA-N	0	3	179.263	2.501	10	10		AFCEHN
CCCc1cccc(C(C)(C)[NH3+])c1[O-]	238285970	573113070	/nfs/dbraw/zinc/11/30/70/573113070.db2.gz	NSLXSFOIYDSLBL-UHFFFAOYSA-N	0	3	193.290	2.539	10	10		AFCEHN
CCCc1ccc([O-])c(C(C)(C)[NH3+])c1	238281912	573130965	/nfs/dbraw/zinc/13/09/65/573130965.db2.gz	RVEOFHSWLYNRCB-UHFFFAOYSA-N	0	3	193.290	2.539	10	10		AFCEHN
C[NH2+][C@H](C)c1ccc(Cl)c(C)c1[O-]	238333872	573290364	/nfs/dbraw/zinc/29/03/64/573290364.db2.gz	LFAJNBQRSCRCQZ-SSDOTTSWSA-N	0	3	199.681	2.634	10	10		AFCEHN
CC[C@@H](c1ccccc1[O-])[N@H+](C)CC	132543440	573320706	/nfs/dbraw/zinc/32/07/06/573320706.db2.gz	MJUJCOLLHJRDBQ-NSHDSACASA-N	0	3	193.290	2.795	10	10		AFCEHN
CC[C@@H](c1ccccc1[O-])[N@@H+](C)CC	132543440	573320712	/nfs/dbraw/zinc/32/07/12/573320712.db2.gz	MJUJCOLLHJRDBQ-NSHDSACASA-N	0	3	193.290	2.795	10	10		AFCEHN
CC[C@H](c1ccccc1[O-])[N@H+](C)CC	132543635	573321445	/nfs/dbraw/zinc/32/14/45/573321445.db2.gz	MJUJCOLLHJRDBQ-LLVKDONJSA-N	0	3	193.290	2.795	10	10		AFCEHN
CC[C@H](c1ccccc1[O-])[N@@H+](C)CC	132543635	573321447	/nfs/dbraw/zinc/32/14/47/573321447.db2.gz	MJUJCOLLHJRDBQ-LLVKDONJSA-N	0	3	193.290	2.795	10	10		AFCEHN
Cc1c(Cl)cc([C@H](C)[NH3+])c([O-])c1C	211763883	573449850	/nfs/dbraw/zinc/44/98/50/573449850.db2.gz	MVSDLFOMPGTFPT-ZETCQYMHSA-N	0	3	199.681	2.682	10	10		AFCEHN
C[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1[O-]	238426176	573524704	/nfs/dbraw/zinc/52/47/04/573524704.db2.gz	WKWAELMKMCZPRK-MRVPVSSYSA-N	0	3	193.290	2.709	10	10		AFCEHN
C[C@H]1CCC[C@H](c2ccccc2[O-])[NH2+]1	258058354	573527905	/nfs/dbraw/zinc/52/79/05/573527905.db2.gz	SIZISLFGZTZGJP-GXSJLCMTSA-N	0	3	191.274	2.595	10	10		AFCEHN
C[C@@H]1CCC[C@@H](c2ccccc2[O-])[NH2+]1	258058356	573528540	/nfs/dbraw/zinc/52/85/40/573528540.db2.gz	SIZISLFGZTZGJP-KOLCDFICSA-N	0	3	191.274	2.595	10	10		AFCEHN
C[C@@H]1CCC[C@H](c2ccccc2[O-])[NH2+]1	258058358	573530464	/nfs/dbraw/zinc/53/04/64/573530464.db2.gz	SIZISLFGZTZGJP-MWLCHTKSSA-N	0	3	191.274	2.595	10	10		AFCEHN
CC(C)c1cccc(C[NH+](C)C)c1[O-]	223666951	573589831	/nfs/dbraw/zinc/58/98/31/573589831.db2.gz	WVPWUUJAOODRQH-UHFFFAOYSA-N	0	3	193.290	2.577	10	10		AFCEHN
CC1(C)CC[C@@H](c2ccccc2[O-])[NH2+]1	258082451	573654635	/nfs/dbraw/zinc/65/46/35/573654635.db2.gz	VXDIDUMQLHPAMH-JTQLQIEISA-N	0	3	191.274	2.595	10	10		AFCEHN
Cc1ccc([C@@H]([NH3+])C(C)(C)C)c([O-])c1	238475343	573664520	/nfs/dbraw/zinc/66/45/20/573664520.db2.gz	GNXNHFSWUKLCKE-LLVKDONJSA-N	0	3	193.290	2.747	10	10		AFCEHN
Cc1ccc(C(C)C)c([O-])c1[C@H](C)[NH3+]	75845446	573704445	/nfs/dbraw/zinc/70/44/45/573704445.db2.gz	KNJFPFRZPWHWBL-VIFPVBQESA-N	0	3	193.290	2.844	10	10		AFCEHN
[O-]c1ccccc1[C@H]1CCCCC[NH2+]1	75868600	573722881	/nfs/dbraw/zinc/72/28/81/573722881.db2.gz	OQQWTNGZSILWAJ-LLVKDONJSA-N	0	3	191.274	2.597	10	10		AFCEHN
CC[NH2+][C@@H](C)c1cc(F)c(C)cc1[O-]	87225060	573836629	/nfs/dbraw/zinc/83/66/29/573836629.db2.gz	ZBYIZVWBIPFMQE-QMMMGPOBSA-N	0	3	197.253	2.510	10	10		AFCEHN
CC[NH2+][C@H](C)c1cc(F)c(C)cc1[O-]	87225063	573836682	/nfs/dbraw/zinc/83/66/82/573836682.db2.gz	ZBYIZVWBIPFMQE-MRVPVSSYSA-N	0	3	197.253	2.510	10	10		AFCEHN
Cc1cccc([O-])c1[C@H]([NH3+])C1CCC1	238536744	573844714	/nfs/dbraw/zinc/84/47/14/573844714.db2.gz	LGTFMNPFVPSAOR-GFCCVEGCSA-N	0	3	191.274	2.501	10	10		AFCEHN
Cc1cccc([O-])c1[C@H]([NH3+])CC1CC1	238536845	573844925	/nfs/dbraw/zinc/84/49/25/573844925.db2.gz	GSQXIUXGXSJUAL-SNVBAGLBSA-N	0	3	191.274	2.501	10	10		AFCEHN
Cc1cccc([O-])c1[C@@H]([NH3+])C1CCC1	238535894	573845365	/nfs/dbraw/zinc/84/53/65/573845365.db2.gz	LGTFMNPFVPSAOR-LBPRGKRZSA-N	0	3	191.274	2.501	10	10		AFCEHN
Cc1cccc([O-])c1[C@@H]1CCCC[NH2+]1	238536311	573845416	/nfs/dbraw/zinc/84/54/16/573845416.db2.gz	RBDZQCUWCLDXQT-JTQLQIEISA-N	0	3	191.274	2.515	10	10		AFCEHN
Cc1cccc([O-])c1[C@@H]([NH3+])CC1CC1	238536030	573845451	/nfs/dbraw/zinc/84/54/51/573845451.db2.gz	GSQXIUXGXSJUAL-JTQLQIEISA-N	0	3	191.274	2.501	10	10		AFCEHN
CC(C)c1cccc(C(C)(C)[NH3+])c1[O-]	238161857	573870093	/nfs/dbraw/zinc/87/00/93/573870093.db2.gz	MIEBKBZEGIULAC-UHFFFAOYSA-N	0	3	193.290	2.709	10	10		AFCEHN
CC[C@@H]([NH3+])c1cccc(SC)c1[O-]	104453580	573985846	/nfs/dbraw/zinc/98/58/46/573985846.db2.gz	GIOIJHJYCQRFEG-MRVPVSSYSA-N	0	3	197.303	2.524	10	10		AFCEHN
CCC[C@H]([NH3+])c1c([O-])ccc(F)c1C	104492127	574010691	/nfs/dbraw/zinc/01/06/91/574010691.db2.gz	AVNQKXLIGXZWQJ-VIFPVBQESA-N	0	3	197.253	2.640	10	10		AFCEHN
C[NH2+][C@H](C)c1cc(C(C)C)ccc1[O-]	104519271	574024570	/nfs/dbraw/zinc/02/45/70/574024570.db2.gz	MPPUGRXFTQHVEG-SECBINFHSA-N	0	3	193.290	2.796	10	10		AFCEHN
Cc1c(Cl)cc([C@@H](C)[NH3+])c([O-])c1C	104519387	574025894	/nfs/dbraw/zinc/02/58/94/574025894.db2.gz	MVSDLFOMPGTFPT-SSDOTTSWSA-N	0	3	199.681	2.682	10	10		AFCEHN
C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-]	104523702	574026565	/nfs/dbraw/zinc/02/65/65/574026565.db2.gz	UUEQWWRQAAJNNJ-SSDOTTSWSA-N	0	3	199.681	2.634	10	10		AFCEHN
CC[C@H](C)c1ccc([O-])c([C@H](C)[NH3+])c1	757132833	582458870	/nfs/dbraw/zinc/45/88/70/582458870.db2.gz	MGVCIUPLYDQWJH-IUCAKERBSA-N	0	3	193.290	2.925	10	10		AFCEHN
CC[C@@H](C)c1ccc([O-])c([C@@H](C)[NH3+])c1	757132835	582458984	/nfs/dbraw/zinc/45/89/84/582458984.db2.gz	MGVCIUPLYDQWJH-RKDXNWHRSA-N	0	3	193.290	2.925	10	10		AFCEHN
CC[C@@H](C)c1ccc([O-])c([C@H](C)[NH3+])c1	757132827	582459384	/nfs/dbraw/zinc/45/93/84/582459384.db2.gz	MGVCIUPLYDQWJH-BDAKNGLRSA-N	0	3	193.290	2.925	10	10		AFCEHN
CC[C@H](C)c1ccc([O-])c([C@@H](C)[NH3+])c1	757132832	582459547	/nfs/dbraw/zinc/45/95/47/582459547.db2.gz	MGVCIUPLYDQWJH-DTWKUNHWSA-N	0	3	193.290	2.925	10	10		AFCEHN
CCCCc1ccc([O-])c([C@@H](C)[NH3+])c1	757141956	582461923	/nfs/dbraw/zinc/46/19/23/582461923.db2.gz	BSGYNIATAOIQBM-SECBINFHSA-N	0	3	193.290	2.755	10	10		AFCEHN
CCCCc1ccc([O-])c([C@H](C)[NH3+])c1	757141970	582463341	/nfs/dbraw/zinc/46/33/41/582463341.db2.gz	BSGYNIATAOIQBM-VIFPVBQESA-N	0	3	193.290	2.755	10	10		AFCEHN
C/C=C\C[NH2+][C@H](C)c1ccccc1[O-]	389259138	698006421	/nfs/dbraw/zinc/00/64/21/698006421.db2.gz	FZHAVNLMTGRXDF-UMBAGQNISA-N	0	3	191.274	2.619	10	10		AFCEHN
C/C=C\C[NH2+][C@@H](C)c1ccccc1[O-]	389259144	698006512	/nfs/dbraw/zinc/00/65/12/698006512.db2.gz	FZHAVNLMTGRXDF-XOULXFPDSA-N	0	3	191.274	2.619	10	10		AFCEHN
C/C=C/C[NH2+][C@H](C)c1ccccc1[O-]	389259104	698006631	/nfs/dbraw/zinc/00/66/31/698006631.db2.gz	FZHAVNLMTGRXDF-HMDXOVGESA-N	0	3	191.274	2.619	10	10		AFCEHN
C/C=C/C[NH2+][C@@H](C)c1ccccc1[O-]	389259087	698006760	/nfs/dbraw/zinc/00/67/60/698006760.db2.gz	FZHAVNLMTGRXDF-FSIBCCDJSA-N	0	3	191.274	2.619	10	10		AFCEHN
C1=C(N2CCCC2)Cc2ccccc21	75182905	166070910	/nfs/dbraw/zinc/07/09/10/166070910.db2.gz	UZNQNWYIDSYPLV-UHFFFAOYSA-N	0	3	185.270	2.679	10	10		AFCEHN
CC[NH+](CC)[C@H](C)c1ccccc1[O-]	34529056	167174232	/nfs/dbraw/zinc/17/42/32/167174232.db2.gz	UBQJLUZOQDIFGH-SNVBAGLBSA-N	0	3	193.290	2.795	10	10		AFCEHN
CC[C@H]([NH2+]C(C)C)c1ccccc1[O-]	19880831	167662328	/nfs/dbraw/zinc/66/23/28/167662328.db2.gz	KUKPKSCPVRECHA-NSHDSACASA-N	0	3	193.290	2.841	10	10		AFCEHN
C[C@@H]([NH3+])c1cc(C(C)(C)C)ccc1[O-]	71452791	168369539	/nfs/dbraw/zinc/36/95/39/168369539.db2.gz	MUEFQXNQECRJLK-MRVPVSSYSA-N	0	3	193.290	2.709	10	10		AFCEHN
C[C@@H]([NH3+])c1cc2ccccc2cc1[O-]	83591783	168371025	/nfs/dbraw/zinc/37/10/25/168371025.db2.gz	BHAHUXRVXLKIAN-MRVPVSSYSA-N	0	3	187.242	2.565	10	10		AFCEHN
[NH3+]C1(c2ccccc2[O-])CCCCC1	33487380	171051557	/nfs/dbraw/zinc/05/15/57/171051557.db2.gz	FFGUEQMOGYAPCM-UHFFFAOYSA-N	0	3	191.274	2.510	10	10		AFCEHN
C[N@@H+]1CCCC[C@H]1c1ccccc1[O-]	75906688	171115616	/nfs/dbraw/zinc/11/56/16/171115616.db2.gz	HNFOIXXMUIDLDE-NSHDSACASA-N	0	3	191.274	2.549	10	10		AFCEHN
C[N@H+]1CCCC[C@H]1c1ccccc1[O-]	75906688	171115619	/nfs/dbraw/zinc/11/56/19/171115619.db2.gz	HNFOIXXMUIDLDE-NSHDSACASA-N	0	3	191.274	2.549	10	10		AFCEHN
C[N@@H+]1CCCC[C@@H]1c1ccccc1[O-]	75906686	171115673	/nfs/dbraw/zinc/11/56/73/171115673.db2.gz	HNFOIXXMUIDLDE-LLVKDONJSA-N	0	3	191.274	2.549	10	10		AFCEHN
C[N@H+]1CCCC[C@@H]1c1ccccc1[O-]	75906686	171115674	/nfs/dbraw/zinc/11/56/74/171115674.db2.gz	HNFOIXXMUIDLDE-LLVKDONJSA-N	0	3	191.274	2.549	10	10		AFCEHN
CC[NH+](CC)[C@@H](C)c1ccccc1[O-]	34529055	171184823	/nfs/dbraw/zinc/18/48/23/171184823.db2.gz	UBQJLUZOQDIFGH-JTQLQIEISA-N	0	3	193.290	2.795	10	10		AFCEHN
Cc1cccc([C@@H]([NH3+])CC(C)C)c1[O-]	307020816	345758779	/nfs/dbraw/zinc/75/87/79/345758779.db2.gz	WXUVSBAKWIAUFZ-NSHDSACASA-N	0	3	193.290	2.747	10	10		AFCEHN
Cc1cccc([C@H]([NH3+])CC(C)C)c1[O-]	307020815	345758783	/nfs/dbraw/zinc/75/87/83/345758783.db2.gz	WXUVSBAKWIAUFZ-LLVKDONJSA-N	0	3	193.290	2.747	10	10		AFCEHN
Cc1ccc([C@@H]2CCCC[NH2+]2)c([O-])c1	96865591	343701468	/nfs/dbraw/zinc/70/14/68/343701468.db2.gz	NRPHZQXCNBGOED-NSHDSACASA-N	0	3	191.274	2.515	10	10		AFCEHN
Cc1ccc([C@H]2CCCC[NH2+]2)c([O-])c1	96865592	343701569	/nfs/dbraw/zinc/70/15/69/343701569.db2.gz	NRPHZQXCNBGOED-LLVKDONJSA-N	0	3	191.274	2.515	10	10		AFCEHN
C[C@@H](c1ccccc1[O-])[NH+]1CCCC1	132443103	343898413	/nfs/dbraw/zinc/89/84/13/343898413.db2.gz	MNGTUNTXBWJUCE-JTQLQIEISA-N	0	3	191.274	2.549	10	10		AFCEHN
C[C@H](c1ccccc1[O-])[NH+]1CCCC1	132443281	343898534	/nfs/dbraw/zinc/89/85/34/343898534.db2.gz	MNGTUNTXBWJUCE-SNVBAGLBSA-N	0	3	191.274	2.549	10	10		AFCEHN
Cc1ccc([O-])c(C[N@@H+](C)C(C)C)c1	132481027	343898703	/nfs/dbraw/zinc/89/87/03/343898703.db2.gz	OGSXODXCCOXVQM-UHFFFAOYSA-N	0	3	193.290	2.541	10	10		AFCEHN
Cc1ccc([O-])c(C[N@H+](C)C(C)C)c1	132481027	343898707	/nfs/dbraw/zinc/89/87/07/343898707.db2.gz	OGSXODXCCOXVQM-UHFFFAOYSA-N	0	3	193.290	2.541	10	10		AFCEHN
CC[N@H+](C)[C@H](C)c1cc(F)ccc1[O-]	132545793	343900074	/nfs/dbraw/zinc/90/00/74/343900074.db2.gz	DJPFMZBMXCYWTA-MRVPVSSYSA-N	0	3	197.253	2.544	10	10		AFCEHN
CC[N@@H+](C)[C@H](C)c1cc(F)ccc1[O-]	132545793	343900075	/nfs/dbraw/zinc/90/00/75/343900075.db2.gz	DJPFMZBMXCYWTA-MRVPVSSYSA-N	0	3	197.253	2.544	10	10		AFCEHN
CC[N@H+](C)[C@H](C)c1cc(C)ccc1[O-]	132546453	343900099	/nfs/dbraw/zinc/90/00/99/343900099.db2.gz	QAUXFGBQJGAINX-SNVBAGLBSA-N	0	3	193.290	2.713	10	10		AFCEHN
CC[N@@H+](C)[C@H](C)c1cc(C)ccc1[O-]	132546453	343900100	/nfs/dbraw/zinc/90/01/00/343900100.db2.gz	QAUXFGBQJGAINX-SNVBAGLBSA-N	0	3	193.290	2.713	10	10		AFCEHN
CC[N@H+](C)[C@@H](C)c1cc(C)ccc1[O-]	132546251	343900133	/nfs/dbraw/zinc/90/01/33/343900133.db2.gz	QAUXFGBQJGAINX-JTQLQIEISA-N	0	3	193.290	2.713	10	10		AFCEHN
CC[N@@H+](C)[C@@H](C)c1cc(C)ccc1[O-]	132546251	343900135	/nfs/dbraw/zinc/90/01/35/343900135.db2.gz	QAUXFGBQJGAINX-JTQLQIEISA-N	0	3	193.290	2.713	10	10		AFCEHN
CC[N@H+](C)[C@@H](C)c1cc(F)ccc1[O-]	132545590	343900239	/nfs/dbraw/zinc/90/02/39/343900239.db2.gz	DJPFMZBMXCYWTA-QMMMGPOBSA-N	0	3	197.253	2.544	10	10		AFCEHN
CC[N@@H+](C)[C@@H](C)c1cc(F)ccc1[O-]	132545590	343900241	/nfs/dbraw/zinc/90/02/41/343900241.db2.gz	DJPFMZBMXCYWTA-QMMMGPOBSA-N	0	3	197.253	2.544	10	10		AFCEHN
Cc1cccc([C@H]2CCCC[NH2+]2)c1[O-]	238515730	344810199	/nfs/dbraw/zinc/81/01/99/344810199.db2.gz	BKOBTNBPPAXWFJ-LLVKDONJSA-N	0	3	191.274	2.515	10	10		AFCEHN
Cc1cccc([C@@H]2CCCC[NH2+]2)c1[O-]	238506774	344810225	/nfs/dbraw/zinc/81/02/25/344810225.db2.gz	BKOBTNBPPAXWFJ-NSHDSACASA-N	0	3	191.274	2.515	10	10		AFCEHN
Cc1ccc([C@@H]([NH3+])CC(C)C)c([O-])c1	306646632	345515723	/nfs/dbraw/zinc/51/57/23/345515723.db2.gz	ATLMXEFJAXNVTC-NSHDSACASA-N	0	3	193.290	2.747	10	10		AFCEHN
Cc1ccc([C@H]([NH3+])CC(C)C)c([O-])c1	306769181	345603450	/nfs/dbraw/zinc/60/34/50/345603450.db2.gz	ATLMXEFJAXNVTC-LLVKDONJSA-N	0	3	193.290	2.747	10	10		AFCEHN
C[NH2+][C@@H](C)c1ccc(Cl)c(C)c1[O-]	238329893	573271630	/nfs/dbraw/zinc/27/16/30/573271630.db2.gz	LFAJNBQRSCRCQZ-ZETCQYMHSA-N	0	3	199.681	2.634	10	10		AFCEHN
CC[C@H]([NH3+])c1ccc(Cl)c(C)c1[O-]	211737824	573399195	/nfs/dbraw/zinc/39/91/95/573399195.db2.gz	PWVXEKIBZKYCKX-VIFPVBQESA-N	0	3	199.681	2.764	10	10		AFCEHN
CC(C)c1ccc(C(C)(C)[NH3+])c([O-])c1	258136082	573810517	/nfs/dbraw/zinc/81/05/17/573810517.db2.gz	RVYRZNHFVXUCPD-UHFFFAOYSA-N	0	3	193.290	2.709	10	10		AFCEHN
Cc1cc([O-])c([C@@H](C)[NH3+])cc1C(C)C	258142909	573831840	/nfs/dbraw/zinc/83/18/40/573831840.db2.gz	SQRWIAWXLYUJEX-SECBINFHSA-N	0	3	193.290	2.844	10	10		AFCEHN
Cc1cc([O-])c([C@H](C)[NH3+])cc1C(C)C	258142933	573832022	/nfs/dbraw/zinc/83/20/22/573832022.db2.gz	SQRWIAWXLYUJEX-VIFPVBQESA-N	0	3	193.290	2.844	10	10		AFCEHN
Cc1cccc([O-])c1[C@@H]([NH3+])C(C)(C)C	238535789	573846589	/nfs/dbraw/zinc/84/65/89/573846589.db2.gz	FZDUDBPPPJMMMG-LLVKDONJSA-N	0	3	193.290	2.747	10	10		AFCEHN
Cc1cccc([O-])c1[C@H]([NH3+])C(C)(C)C	238536673	573846822	/nfs/dbraw/zinc/84/68/22/573846822.db2.gz	FZDUDBPPPJMMMG-NSHDSACASA-N	0	3	193.290	2.747	10	10		AFCEHN
C=Cc1ccc([O-])c([C@H]([NH3+])C(C)C)c1	104451885	573984511	/nfs/dbraw/zinc/98/45/11/573984511.db2.gz	OIQYERAOIAGVTR-GFCCVEGCSA-N	0	3	191.274	2.691	10	10		AFCEHN
CCC[C@@H]([NH3+])c1c([O-])ccc(F)c1C	104492154	574008273	/nfs/dbraw/zinc/00/82/73/574008273.db2.gz	AVNQKXLIGXZWQJ-SECBINFHSA-N	0	3	197.253	2.640	10	10		AFCEHN