smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(nc(N3CC[NH2+]CC3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000001773089	482713332	/nfs/dbraw/zinc/71/33/32/482713332.db2.gz	RLUMDLMWJCRUQP-UKHPNBTGSA-N	1	0	367.366	-3.277	40	0		FAABRO
C[NH+]1CCN(c2nc3c(ncnc3N)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)CC1	ZINC000002099773	483193921	/nfs/dbraw/zinc/19/39/21/483193921.db2.gz	AEGXQXAAFKOKMX-RTOGKPCTSA-N	1	0	365.394	-2.228	40	0		FAABRO
C[NH2+]CC(=O)N[C@@H]1C=C(C(=O)N[C@H](CC(C)C)C(N)=O)C[C@@H](O)[C@@H]1O	ZINC000003838847	206165374	/nfs/dbraw/zinc/16/53/74/206165374.db2.gz	CIXCQNLFUMPPEH-HKUMRIAESA-N	1	0	356.423	-2.241	40	0	biogenic,in-vitro	FAABRO
CC(C)C[C@@H](NC(=O)C1=C[C@@H](NC(=O)CC[NH3+])[C@@H](O)[C@H](O)C1)C(N)=O	ZINC000003838849	483082510	/nfs/dbraw/zinc/08/25/10/483082510.db2.gz	UZHXYDPFSWRYPA-HKUMRIAESA-N	1	0	356.423	-2.112	40	0	biogenic,in-vitro	FAABRO
C[NH2+][C@H](C(=O)N[C@@H]1C=C(C(=O)N[C@H](C)C(N)=O)C[C@@H](O)[C@@H]1O)C(C)C	ZINC000003839688	206164800	/nfs/dbraw/zinc/16/48/00/206164800.db2.gz	HICSKBYWDSHPQA-ZGYLKHSLSA-N	1	0	356.423	-2.243	40	0	biogenic,in-vitro	FAABRO
C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1C=C(C(=O)N[C@H](C)C(N)=O)C[C@@H](O)[C@@H]1O	ZINC000003839689	483083387	/nfs/dbraw/zinc/08/33/87/483083387.db2.gz	ASHBUDSYSKWCHM-RGCYKPLRSA-N	1	0	370.450	-1.853	40	0	biogenic,in-vitro	FAABRO
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000004899557	204173518	/nfs/dbraw/zinc/17/35/18/204173518.db2.gz	YCYXHLZRUSJITQ-SRVKXCTJSA-N	1	0	368.438	-1.356	40	0		FAABRO
C[NH+]1CCN(c2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1	ZINC000005395594	482534402	/nfs/dbraw/zinc/53/44/02/482534402.db2.gz	XSYVIGUUPQSAET-NFOTXUCKSA-N	1	0	350.379	-1.810	40	0		FAABRO
C[NH+]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1	ZINC000005395595	482534039	/nfs/dbraw/zinc/53/40/39/482534039.db2.gz	XSYVIGUUPQSAET-AYIJCJCZSA-N	1	0	350.379	-1.810	40	0		FAABRO
C[NH+]1CCN(c2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1	ZINC000005395596	482533847	/nfs/dbraw/zinc/53/38/47/482533847.db2.gz	XSYVIGUUPQSAET-LIBKGXAOSA-N	1	0	350.379	-1.810	40	0		FAABRO
C[NH+]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1	ZINC000005395597	482534365	/nfs/dbraw/zinc/53/43/65/482534365.db2.gz	XSYVIGUUPQSAET-XDYICZGBSA-N	1	0	350.379	-1.810	40	0		FAABRO
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)C=CC1=N2	ZINC000005567882	482534152	/nfs/dbraw/zinc/53/41/52/482534152.db2.gz	MSMDYXCIEJKUMY-ZGFBFQLVSA-N	1	0	362.366	-1.552	40	0		FAABRO
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)C=CC1=N2	ZINC000005567883	207106926	/nfs/dbraw/zinc/10/69/26/207106926.db2.gz	MSMDYXCIEJKUMY-XTWPYSKKSA-N	1	0	362.366	-1.552	40	0		FAABRO
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C=CC1=N2	ZINC000005567884	207107020	/nfs/dbraw/zinc/10/70/20/207107020.db2.gz	MSMDYXCIEJKUMY-QJZXMWHDSA-N	1	0	362.366	-1.552	40	0		FAABRO
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C=CC1=N2	ZINC000005567887	207106867	/nfs/dbraw/zinc/10/68/67/207106867.db2.gz	MSMDYXCIEJKUMY-QMPIGLIWSA-N	1	0	362.366	-1.552	40	0		FAABRO
Nc1nc2c(nc(N3CC[NH2+]CC3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000006150376	482741272	/nfs/dbraw/zinc/74/12/72/482741272.db2.gz	RLUMDLMWJCRUQP-YWZCALJYSA-N	1	0	367.366	-3.277	40	0		FAABRO
Nc1nc2c(nc(N3CC[NH2+]CC3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000006150379	482741242	/nfs/dbraw/zinc/74/12/42/482741242.db2.gz	RLUMDLMWJCRUQP-YLJFRXORSA-N	1	0	367.366	-3.277	40	0		FAABRO
Nc1nc2c(nc(N3CC[NH2+]CC3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000006150381	482741535	/nfs/dbraw/zinc/74/15/35/482741535.db2.gz	RLUMDLMWJCRUQP-CIPNSKCISA-N	1	0	367.366	-3.277	40	0		FAABRO
CC(=O)NCCNC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1	ZINC000008299028	291018587	/nfs/dbraw/zinc/01/85/87/291018587.db2.gz	FSYFHHRBELBEDF-BMFZPTHFSA-N	1	0	364.450	-1.224	40	0	biogenic,in-vitro	FAABRO
CC(=O)NCCNC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1	ZINC000008299031	483724899	/nfs/dbraw/zinc/72/48/99/483724899.db2.gz	FSYFHHRBELBEDF-IMJJTQAJSA-N	1	0	364.450	-1.224	40	0	biogenic,in-vitro	FAABRO
O=C(C[C@@H]1O[C@H](C[NH2+]Cc2ccccn2)[C@@H](O)[C@H]1O)N1CCOCC1	ZINC000008627193	483727392	/nfs/dbraw/zinc/72/73/92/483727392.db2.gz	PUUGWKWDKORYQB-HDEZJCGLSA-N	1	0	351.403	-1.091	40	0	biogenic,in-vitro	FAABRO
C[NH2+]Cc1cn(C[C@H]2O[C@@H](CC(=O)N3CCOCC3)[C@H](O)[C@@H]2O)nn1	ZINC000008643718	483727485	/nfs/dbraw/zinc/72/74/85/483727485.db2.gz	HAYFMKCVKJWRMJ-MYZSUADSSA-N	1	0	355.395	-2.264	40	0	biogenic,in-vitro	FAABRO
C[NH+](C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H]1O	ZINC000008643739	219865374	/nfs/dbraw/zinc/86/53/74/219865374.db2.gz	DVZLNOVESYWXRG-HDEZJCGLSA-N	1	0	365.430	-1.027	40	0	biogenic,in-vitro	FAABRO
O=c1[nH]cnc2c1nc(N1CC[NH2+]CC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000009209169	483708033	/nfs/dbraw/zinc/70/80/33/483708033.db2.gz	BDPVKQAEONBPSN-OJPPFWEXSA-N	1	0	352.351	-2.859	40	0		FAABRO
O=c1[nH]cnc2c1nc(N1CC[NH2+]CC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000009209171	483707768	/nfs/dbraw/zinc/70/77/68/483707768.db2.gz	BDPVKQAEONBPSN-ZLGIUQBVSA-N	1	0	352.351	-2.859	40	0		FAABRO
CC(C)[C@@H]([NH3+])C(=O)OC[C@@H](CO)OCn1cnc2c1nc(N)[nH]c2=O	ZINC000011616800	571321904	/nfs/dbraw/zinc/32/19/04/571321904.db2.gz	WPVFJKSGQUFQAP-RKDXNWHRSA-N	1	0	354.367	-1.437	40	0		FAABRO
Nc1nc2c(nc(N3CC[NH2+]CC3)n2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000012082306	482760998	/nfs/dbraw/zinc/76/09/98/482760998.db2.gz	RLUMDLMWJCRUQP-WJOUQXRDSA-N	1	0	367.366	-3.277	40	0		FAABRO
C[NH+](C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@H]1O	ZINC000012603867	220013447	/nfs/dbraw/zinc/01/34/47/220013447.db2.gz	XYWXHKGYIRMUAS-LQKXBSAESA-N	1	0	357.451	-1.150	40	0	biogenic,in-vitro	FAABRO
NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC(=O)N1	ZINC000013815126	483348763	/nfs/dbraw/zinc/34/87/63/483348763.db2.gz	XNSAINXGIQZQOO-UTUOFQBUSA-N	1	0	362.390	-1.808	40	0		FAABRO
CS(=O)(=O)N1CCN(C(=O)C[NH3+])[C@@H](C(=O)N[C@H]2CCCNC2=O)C1	ZINC000015709581	206315953	/nfs/dbraw/zinc/31/59/53/206315953.db2.gz	ZYWNIRGLLDGJQB-VHSXEESVSA-N	1	0	361.424	-3.188	40	0	biogenic,in-vitro	FAABRO
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C=CC1=N2	ZINC000015781152	482625822	/nfs/dbraw/zinc/62/58/22/482625822.db2.gz	MSMDYXCIEJKUMY-BPGGGUHBSA-N	1	0	362.366	-1.552	40	0		FAABRO
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C=CC1=N2	ZINC000015781153	482627097	/nfs/dbraw/zinc/62/70/97/482627097.db2.gz	MSMDYXCIEJKUMY-OPQSFPLASA-N	1	0	362.366	-1.552	40	0		FAABRO
C[NH+]1CCN(c2nc3c(ncnc3N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1	ZINC000016035856	220175748	/nfs/dbraw/zinc/17/57/48/220175748.db2.gz	AEGXQXAAFKOKMX-WQURNTSKSA-N	1	0	365.394	-2.228	40	0		FAABRO
C[NH+]1CCN(c2nc3c(ncnc3N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1	ZINC000016035857	220175808	/nfs/dbraw/zinc/17/58/08/220175808.db2.gz	AEGXQXAAFKOKMX-ZMZKGCHWSA-N	1	0	365.394	-2.228	40	0		FAABRO
C[NH+]1CCN(c2nc3c(ncnc3N)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)CC1	ZINC000016035858	220176279	/nfs/dbraw/zinc/17/62/79/220176279.db2.gz	AEGXQXAAFKOKMX-GCDPNZCJSA-N	1	0	365.394	-2.228	40	0		FAABRO
C[NH+]1CCN(c2nc3c(ncnc3N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1	ZINC000033923630	482905759	/nfs/dbraw/zinc/90/57/59/482905759.db2.gz	AEGXQXAAFKOKMX-AGSIJNCFSA-N	1	0	365.394	-2.228	40	0		FAABRO
CC(=O)N1CCC([NH2+][C@@H]2CO[C@H](CNC(=O)N3CCOCC3)[C@H]2O)CC1	ZINC000077264977	205038190	/nfs/dbraw/zinc/03/81/90/205038190.db2.gz	KOUKBYBJIRNVCS-OAGGEKHMSA-N	1	0	370.450	-1.243	40	0	biogenic,in-vitro	FAABRO
CCOC(=O)NCC[NH2+]CCNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1	ZINC000217361228	482734625	/nfs/dbraw/zinc/73/46/25/482734625.db2.gz	APGXBAHXCWXHTQ-SNVBAGLBSA-N	1	0	357.454	-1.571	40	0		FAABRO
CCOC(=O)NCC[NH2+]CCNS(=O)(=O)[C@H]1CCS(=O)(=O)C1	ZINC000217361316	482735181	/nfs/dbraw/zinc/73/51/81/482735181.db2.gz	APGXBAHXCWXHTQ-JTQLQIEISA-N	1	0	357.454	-1.571	40	0		FAABRO
COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCCC3)C2)C1=O	ZINC000225387183	209808882	/nfs/dbraw/zinc/80/88/82/209808882.db2.gz	ZLICBBLZRUNIRW-OLZOCXBDSA-N	1	0	351.403	-1.040	40	0	biogenic,in-vitro	FAABRO
O=C1NCC[C@@H]2[C@@H]1[NH+]=C(N1CCCCC1)N2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000245380102	483593220	/nfs/dbraw/zinc/59/32/20/483593220.db2.gz	RKWIRJQBGMGUNJ-CDWXYHGHSA-N	1	0	354.407	-2.160	40	0		FAABRO
O=C1NCC[C@@H]2[C@@H]1[NH+]=C(N1CCCCC1)N2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000245380103	483593319	/nfs/dbraw/zinc/59/33/19/483593319.db2.gz	RKWIRJQBGMGUNJ-GPVWGEJLSA-N	1	0	354.407	-2.160	40	0		FAABRO
O=C1NCC[C@@H]2[C@@H]1[NH+]=C(N1CCCCC1)N2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000245380104	483594120	/nfs/dbraw/zinc/59/41/20/483594120.db2.gz	RKWIRJQBGMGUNJ-ITTXBHIMSA-N	1	0	354.407	-2.160	40	0		FAABRO
O=C1NCC[C@@H]2[C@@H]1[NH+]=C(N1CCCCC1)N2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000245380105	483594104	/nfs/dbraw/zinc/59/41/04/483594104.db2.gz	RKWIRJQBGMGUNJ-VZGVWICMSA-N	1	0	354.407	-2.160	40	0		FAABRO
O=S1(=O)NC[C@H](O)C[NH2+]C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2ccccc21	ZINC000253398848	483695315	/nfs/dbraw/zinc/69/53/15/483695315.db2.gz	HRITUXWBAKAPCT-NFFDBFGFSA-N	1	0	372.443	-1.190	40	0		FAABRO
C[NH+]1CCN(c2nc3c(ncnc3N)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)CC1	ZINC000253559920	483528217	/nfs/dbraw/zinc/52/82/17/483528217.db2.gz	AEGXQXAAFKOKMX-JMLLCIOISA-N	1	0	365.394	-2.228	40	0		FAABRO
C[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000256001329	483452070	/nfs/dbraw/zinc/45/20/70/483452070.db2.gz	SHKGHIFSEAGTNL-MVWJERBFSA-N	1	0	354.411	-1.517	40	0		FAABRO
C[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000256001330	223001332	/nfs/dbraw/zinc/00/13/32/223001332.db2.gz	SHKGHIFSEAGTNL-WCQGTBRESA-N	1	0	354.411	-1.517	40	0		FAABRO
C[C@@]1(O)CCN(C(=O)CC[C@H]([NH3+])C(N)=O)C[C@H]1n1ccc(=O)[nH]c1=O	ZINC000257201351	482961178	/nfs/dbraw/zinc/96/11/78/482961178.db2.gz	AHHONDACRBNHTC-FEUHOPSXSA-N	1	0	353.379	-1.934	40	0		FAABRO
Cn1c2ncn([C@H]3CN(C(=O)C[NH3+])CC[C@]3(C)O)c2c(=O)n(C)c1=O	ZINC000257216067	223023040	/nfs/dbraw/zinc/02/30/40/223023040.db2.gz	CSYRRMYPZYHHOF-VFZGTOFNSA-N	1	0	350.379	-2.083	40	0		FAABRO
CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)CC[NH3+])[C@@H](O)[C@@H]1O	ZINC000257223783	482960921	/nfs/dbraw/zinc/96/09/21/482960921.db2.gz	DYVHKMFVUISWGI-DMTCVQMQSA-N	1	0	363.422	-1.217	40	0		FAABRO
Cc1cn([C@H]2CN(C(=O)CCC[NH3+])C[C@H](O)C[C@]2(C)O)c(=O)[nH]c1=O	ZINC000257224033	482961481	/nfs/dbraw/zinc/96/14/81/482961481.db2.gz	FAALVZIKPQQHOY-WQGACYEGSA-N	1	0	354.407	-1.118	40	0		FAABRO
Cc1cn(C[C@]2(O)CC[C@H](N(C)C(=O)CC[NH3+])C[C@H]2O)c(=O)[nH]c1=O	ZINC000257228064	209969574	/nfs/dbraw/zinc/96/95/74/209969574.db2.gz	FSDLMNYIZMWDPH-HWWQOWPSSA-N	1	0	354.407	-1.291	40	0		FAABRO
O=C(NC[C@@]1(O)COCCN(C(=O)C2CC[NH2+]CC2)C1)c1cnco1	ZINC000257232704	534616383	/nfs/dbraw/zinc/61/63/83/534616383.db2.gz	GMAJREWDRYMXFJ-INIZCTEOSA-N	1	0	352.391	-1.006	40	0		FAABRO
O=C(NC[C@]1(O)COCCN(C(=O)C2CC[NH2+]CC2)C1)c1cnco1	ZINC000257232705	482961636	/nfs/dbraw/zinc/96/16/36/482961636.db2.gz	GMAJREWDRYMXFJ-MRXNPFEDSA-N	1	0	352.391	-1.006	40	0		FAABRO
C[C@@]1(O)CN(C(=O)CC[C@H]([NH3+])C(N)=O)CC[C@H]1n1ccc(=O)[nH]c1=O	ZINC000257233416	482962039	/nfs/dbraw/zinc/96/20/39/482962039.db2.gz	GPEGNBPOGDOMRD-FEUHOPSXSA-N	1	0	353.379	-1.934	40	0		FAABRO
Cc1cn([C@@H]2CN(C(=O)[C@H]([NH3+])CCC(N)=O)CC[C@@]2(C)O)c(=O)[nH]c1=O	ZINC000257234070	482961758	/nfs/dbraw/zinc/96/17/58/482961758.db2.gz	GRXWXSVLCFTDIM-GLKRBJQHSA-N	1	0	367.406	-1.625	40	0		FAABRO
Cc1cn([C@@H]2CN(C(=O)[C@@H]([NH3+])CCC(N)=O)CC[C@@]2(C)O)c(=O)[nH]c1=O	ZINC000257234071	482961793	/nfs/dbraw/zinc/96/17/93/482961793.db2.gz	GRXWXSVLCFTDIM-LYOVBCGYSA-N	1	0	367.406	-1.625	40	0		FAABRO
Cn1c2ncn([C@@H]3CCN(C(=O)C[NH3+])C[C@@]3(C)O)c2c(=O)n(C)c1=O	ZINC000257262215	482962915	/nfs/dbraw/zinc/96/29/15/482962915.db2.gz	LKPPIGAQPZNOGB-RFAUZJTJSA-N	1	0	350.379	-2.083	40	0		FAABRO
NC(=O)c1cnc2c(ccn2C[C@]2(O)CCN(C(=O)CC[NH3+])C[C@H]2O)c1	ZINC000257263815	482962979	/nfs/dbraw/zinc/96/29/79/482962979.db2.gz	LRPJULDBJHWKSX-CXAGYDPISA-N	1	0	361.402	-1.192	40	0		FAABRO
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC[NH2+]CC2)[C@@H](O)[C@H]1O	ZINC000257269302	223044003	/nfs/dbraw/zinc/04/40/03/223044003.db2.gz	MPKBIMHULNDLPU-BQVMBELUSA-N	1	0	363.378	-2.104	40	0		FAABRO
O=C(NC[C@]1(O)C[N@@H+](CC2(O)CCOCC2)C[C@H]1O)c1ccccn1	ZINC000257282987	482964026	/nfs/dbraw/zinc/96/40/26/482964026.db2.gz	OWDYBOWFKKJDCK-PBHICJAKSA-N	1	0	351.403	-1.240	40	0		FAABRO
C[C@@]1(O)C[C@H](O)CN(C(=O)CC[NH3+])C[C@H]1n1cnc2c1nc(N)nc2N	ZINC000257291381	482963709	/nfs/dbraw/zinc/96/37/09/482963709.db2.gz	QGSGMMFEGFWVTE-IQMYEBEASA-N	1	0	364.410	-1.775	40	0		FAABRO
C[C@]1(O)C[C@@H](O)CN(C(=O)CC[NH3+])C[C@@H]1n1cnc2c1nc(N)nc2N	ZINC000257291382	223052235	/nfs/dbraw/zinc/05/22/35/223052235.db2.gz	QGSGMMFEGFWVTE-OLBFVZFUSA-N	1	0	364.410	-1.775	40	0		FAABRO
NC(=O)C1CC[NH+](CC(=O)N2CC[C@](O)(CN3CCOCC3)C2)CC1	ZINC000257293682	482963620	/nfs/dbraw/zinc/96/36/20/482963620.db2.gz	QQRSOEIOHAYIER-KRWDZBQOSA-N	1	0	354.451	-1.521	40	0		FAABRO
NC(=O)C1CC[NH+](CC(=O)N2CC[C@@](O)(CN3CCOCC3)C2)CC1	ZINC000257293683	223053918	/nfs/dbraw/zinc/05/39/18/223053918.db2.gz	QQRSOEIOHAYIER-QGZVFWFLSA-N	1	0	354.451	-1.521	40	0		FAABRO
Cc1cn([C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000257321615	482962993	/nfs/dbraw/zinc/96/29/93/482962993.db2.gz	WCJUBJPWJAUEQU-QHSBEEBCSA-N	1	0	366.418	-1.105	40	0		FAABRO
CN(C(=O)CC[NH3+])[C@H]1CC[C@@](O)(Cn2cnc3c2ncnc3N)[C@H](O)C1	ZINC000257328716	223066529	/nfs/dbraw/zinc/06/65/29/223066529.db2.gz	XGVDZNLWPCNFAP-LYOVBCGYSA-N	1	0	363.422	-1.140	40	0		FAABRO
COCC(=O)NC[C@]1(O)C[N@H+](CC2(O)CCN(C(C)=O)CC2)C[C@H]1O	ZINC000257334154	482963554	/nfs/dbraw/zinc/96/35/54/482963554.db2.gz	YESZQKIMJXUWSL-CJNGLKHVSA-N	1	0	359.423	-2.470	40	0		FAABRO
CC(=O)N1CCC([N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cnc[nH]3)C2)CC1	ZINC000257340224	526540287	/nfs/dbraw/zinc/54/02/87/526540287.db2.gz	ZFDCVJQWNWWBLS-ZBFHGGJFSA-N	1	0	351.407	-1.442	40	0		FAABRO
[NH3+]CCN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(F)cc1	ZINC000575420347	483195257	/nfs/dbraw/zinc/19/52/57/483195257.db2.gz	BBMLQBNPNWDZRU-NEPJUHHUSA-N	1	0	352.409	-1.067	40	0		FAABRO
[NH3+]CCN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(F)cc1	ZINC000575420348	483195629	/nfs/dbraw/zinc/19/56/29/483195629.db2.gz	BBMLQBNPNWDZRU-NWDGAFQWSA-N	1	0	352.409	-1.067	40	0		FAABRO
[NH3+]CCN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(F)cc1	ZINC000575420349	483195312	/nfs/dbraw/zinc/19/53/12/483195312.db2.gz	BBMLQBNPNWDZRU-RYUDHWBXSA-N	1	0	352.409	-1.067	40	0		FAABRO
[NH3+]CCN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(F)cc1	ZINC000575420350	483195828	/nfs/dbraw/zinc/19/58/28/483195828.db2.gz	BBMLQBNPNWDZRU-VXGBXAGGSA-N	1	0	352.409	-1.067	40	0		FAABRO
COc1ccc(S(=O)(=O)N(CC[NH3+])[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575424967	483197934	/nfs/dbraw/zinc/19/79/34/483197934.db2.gz	DBBUHSQNMNWEIM-CHWSQXEVSA-N	1	0	364.445	-1.198	40	0		FAABRO
COc1ccc(S(=O)(=O)N(CC[NH3+])[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575424969	483197199	/nfs/dbraw/zinc/19/71/99/483197199.db2.gz	DBBUHSQNMNWEIM-OLZOCXBDSA-N	1	0	364.445	-1.198	40	0		FAABRO
COc1ccc(S(=O)(=O)N(CC[NH3+])[C@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575424970	483198011	/nfs/dbraw/zinc/19/80/11/483198011.db2.gz	DBBUHSQNMNWEIM-QWHCGFSZSA-N	1	0	364.445	-1.198	40	0		FAABRO
COc1ccc(S(=O)(=O)N(CC[NH3+])[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575424971	483198187	/nfs/dbraw/zinc/19/81/87/483198187.db2.gz	DBBUHSQNMNWEIM-STQMWFEESA-N	1	0	364.445	-1.198	40	0		FAABRO
O=C(Cc1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH+](CCO)CCO)C1	ZINC000585283575	482650045	/nfs/dbraw/zinc/65/00/45/482650045.db2.gz	AVBQBZAFPPGVIM-AEFFLSMTSA-N	1	0	352.431	-1.160	40	0		FAABRO
C[N@H+](C1CCN(C(=O)CN2CCCC2=O)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585287671	482649932	/nfs/dbraw/zinc/64/99/32/482649932.db2.gz	ADAQTHOUQVMAJU-CPUCHLNUSA-N	1	0	355.435	-1.348	40	0		FAABRO
O=S(=O)(c1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH+](CCO)CCO)C1	ZINC000585288967	482649257	/nfs/dbraw/zinc/64/92/57/482649257.db2.gz	BPJIFZCLFCEBBY-CVEARBPZSA-N	1	0	374.459	-1.540	40	0		FAABRO
CNc1ncc(CN2CCC([N@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cn1	ZINC000585290538	483763757	/nfs/dbraw/zinc/76/37/57/483763757.db2.gz	FGEWIFRHTKHDGC-OAGGEKHMSA-N	1	0	351.451	-0.465	40	0		FAABRO
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH+](CCO)CCO)C1	ZINC000585290597	482649982	/nfs/dbraw/zinc/64/99/82/482649982.db2.gz	DEJUKTXPTYWVCP-CABCVRRESA-N	1	0	360.432	-1.931	40	0		FAABRO
O=C(Cc1ccccc1)N1CC[C@](O)(C[NH+](CCO)CCO)[C@@H](O)C1	ZINC000585290752	482649348	/nfs/dbraw/zinc/64/93/48/482649348.db2.gz	WPRIALHMWJCSOU-WMZOPIPTSA-N	1	0	352.431	-1.160	40	0		FAABRO
O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH+](CCO)CCO)C1	ZINC000585291071	482649508	/nfs/dbraw/zinc/64/95/08/482649508.db2.gz	JFVDBDBNMGGZMK-AEFFLSMTSA-N	1	0	352.431	-1.160	40	0		FAABRO
C[NH+](C)C[C@H]1O[C@@H]2C[C@H](CC(=O)N3CCS(=O)(=O)CC3)O[C@@H]2[C@@H]1O	ZINC000604381835	482889051	/nfs/dbraw/zinc/88/90/51/482889051.db2.gz	QWVHUANZXVSSKW-FWZIUSJTSA-N	1	0	362.448	-1.519	40	0	biogenic,in-vitro	FAABRO