smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCC[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC1=O	ZINC000001578630	351303570	/nfs/dbraw/zinc/30/35/70/351303570.db2.gz	NUYHTXOPSQBZKC-UWVGGRQHSA-N	2	0	256.350	-0.772	40	0		CBABRP
[NH3+]C[C@H](O)COc1ccc(OC[C@@H](O)C[NH3+])cc1	ZINC000026896268	351366502	/nfs/dbraw/zinc/36/65/02/351366502.db2.gz	WLRDKQUQWQBTNK-UWVGGRQHSA-N	2	0	256.302	-0.917	40	0		CBABRP
C[NH+](C)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O	ZINC000257256073	190021864	/nfs/dbraw/zinc/02/18/64/190021864.db2.gz	KJYYDTMFQCXPIE-CHWSQXEVSA-N	2	0	269.389	-0.004	40	0		CBABRP
C[NH2+][C@@H]1C[C@@H](O)[C@](O)(C[NH+]2CCCCC2)[C@@H](O)C1	ZINC000257299954	190030015	/nfs/dbraw/zinc/03/00/15/190030015.db2.gz	RSHZMHMKWIXPKU-CZWJUEIWSA-N	2	0	258.362	-0.693	40	0		CBABRP
[NH3+]C[C@@H](O)COCC1CCC(COC[C@H](O)C[NH3+])CC1	ZINC000026895271	171501939	/nfs/dbraw/zinc/50/19/39/171501939.db2.gz	BZXOASFTMQHWBY-NWINJMCUSA-N	2	0	290.404	-0.535	40	0		CBABRP
[NH3+]CCCO[C@@H]1CO[C@H]2[C@H](OCCC[NH3+])CO[C@H]12	ZINC000004792211	303380259	/nfs/dbraw/zinc/38/02/59/303380259.db2.gz	XFDLDISETPZLMX-KKOKHZNYSA-N	2	0	260.334	-0.748	40	0		CBABRP
C[N@@H+]1CCN(C(=O)CC[NH+]2CCCC2)C[C@@H](C(N)=O)C1	ZINC000257287238	190026948	/nfs/dbraw/zinc/02/69/48/190026948.db2.gz	PPDBLWWQEWCKMJ-LBPRGKRZSA-N	2	0	282.388	-0.652	40	0		CBABRP
CC[NH+]1CCN(CC(=O)N2CC[C@@](O)(C[NH+](C)C)C2)CC1	ZINC000257301846	190030490	/nfs/dbraw/zinc/03/04/90/190030490.db2.gz	SAFFZYGTNHGCCA-OAHLLOKOSA-N	2	0	298.431	-0.851	40	0		CBABRP
C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@H]2CCC[N@H+](C)C2)C1	ZINC000257246451	289206796	/nfs/dbraw/zinc/20/67/96/289206796.db2.gz	IUEUEUMEZGRCCJ-JSGCOSHPSA-N	2	0	269.389	-0.147	40	0		CBABRP
[NH3+]C[C@@H](O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000037230080	303393800	/nfs/dbraw/zinc/39/38/00/303393800.db2.gz	ZZFPBRBQJJWPDK-QJPTWQEYSA-N	2	0	263.341	-0.413	40	0		CBABRP
[NH3+]C[C@@H](O)COCC1CCC(COC[C@@H](O)C[NH3+])CC1	ZINC000026895266	351366822	/nfs/dbraw/zinc/36/68/22/351366822.db2.gz	BZXOASFTMQHWBY-LLZFXZEUSA-N	2	0	290.404	-0.535	40	0		CBABRP
C[C@@H]1C[N@@H+](C[C@H](O)CN2CCC[NH2+]CC2)C[C@H](C)O1	ZINC000064875859	351587018	/nfs/dbraw/zinc/58/70/18/351587018.db2.gz	HJBZXKFAAKNDLH-HZSPNIEDSA-N	2	0	271.405	-0.248	40	0		CBABRP
CC(C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(N)=O	ZINC000079670373	351694059	/nfs/dbraw/zinc/69/40/59/351694059.db2.gz	NZCMOCGIZHKABP-VHSXEESVSA-N	2	0	258.366	-0.541	40	0		CBABRP
Cc1cc(N2CC[NH+](C)CC2)nc(N2CC[NH2+]CC2)n1	ZINC000217505126	352233346	/nfs/dbraw/zinc/23/33/46/352233346.db2.gz	VBEWPCGPNYDAJC-UHFFFAOYSA-N	2	0	276.388	-0.054	40	0		CBABRP
Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH+](C)C)[C@@H]1O	ZINC000952844667	790934373	/nfs/dbraw/zinc/93/43/73/790934373.db2.gz	FOIVNPDJDNJPRG-PZWNZHSQSA-N	2	0	253.302	-0.221	40	0	biogenic,in-vitro	CBABRP
NC(=O)c1cc[n+](CCC[n+]2ccc(C(N)=O)cc2)cc1	ZINC000000365424	351300413	/nfs/dbraw/zinc/30/04/13/351300413.db2.gz	PUDWAUKXLOUHKA-UHFFFAOYSA-P	2	0	286.335	-0.450	40	0		CBABRP
[NH3+]CCCC[C@H]1NC(=O)[C@H](CCCC[NH3+])NC1=O	ZINC000001578631	351304216	/nfs/dbraw/zinc/30/42/16/351304216.db2.gz	NUYHTXOPSQBZKC-AOOOYVTPSA-N	2	0	256.350	-0.772	40	0		CBABRP
CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(N)=O	ZINC000002556625	351309250	/nfs/dbraw/zinc/30/92/50/351309250.db2.gz	NZCMOCGIZHKABP-UWVGGRQHSA-N	2	0	258.366	-0.541	40	0		CBABRP
CC(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(C)=O	ZINC000004096102	351316689	/nfs/dbraw/zinc/31/66/89/351316689.db2.gz	NPDTUDWGJMBVEP-UHFFFAOYSA-N	2	0	286.420	-0.002	40	0	endogenous,in-man	CBABRP
[NH3+]C[C@H](O)COCC1CCC(COC[C@@H](O)C[NH3+])CC1	ZINC000026895268	351367094	/nfs/dbraw/zinc/36/70/94/351367094.db2.gz	BZXOASFTMQHWBY-HOAMVYINSA-N	2	0	290.404	-0.535	40	0		CBABRP
CS(=O)(=O)[C@H]1[C@H](c2ccc3c(c2)OCO3)C1(C[NH3+])C[NH3+]	ZINC000218132123	352234610	/nfs/dbraw/zinc/23/46/10/352234610.db2.gz	ZPFCMPLLJUFSCQ-RYUDHWBXSA-N	2	0	298.364	-0.171	40	0		CBABRP
[NH3+]CCCO[C@@H]1CO[C@H]2[C@H](OCCC[NH3+])CO[C@@H]12	ZINC000004792214	170017662	/nfs/dbraw/zinc/01/76/62/170017662.db2.gz	XFDLDISETPZLMX-WYUUTHIRSA-N	2	0	260.334	-0.748	40	0		CBABRP
CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH2+]CC2	ZINC000306143258	289156491	/nfs/dbraw/zinc/15/64/91/289156491.db2.gz	XXGBVFUBNXFGGD-UHFFFAOYSA-N	2	0	254.378	-0.556	40	0		CBABRP
COCC(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1	ZINC000096060905	185082710	/nfs/dbraw/zinc/08/27/10/185082710.db2.gz	KFZIYTDHKKPCCP-UHFFFAOYSA-N	2	0	255.362	-0.035	40	0		CBABRP
CNc1nc(NCCN2CC[NH+](C)CC2)cc(C2CC2)[nH+]1	ZINC000328971634	202135054	/nfs/dbraw/zinc/13/50/54/202135054.db2.gz	DQRZADPMDRXVCJ-UHFFFAOYSA-N	2	0	290.415	-0.101	40	0		CBABRP
[NH3+]C[C@@H](O)COc1ccc(OC[C@H](O)C[NH3+])cc1	ZINC000026896271	171502317	/nfs/dbraw/zinc/50/23/17/171502317.db2.gz	WLRDKQUQWQBTNK-NXEZZACHSA-N	2	0	256.302	-0.917	40	0		CBABRP
C[N@@H+]1CCn2c(nnc2[C@@H]2CCC[NH+](CCO)C2)C1	ZINC000072367752	176382682	/nfs/dbraw/zinc/38/26/82/176382682.db2.gz	VZSHSQVLHZQEHT-LLVKDONJSA-N	2	0	265.361	-0.105	40	0		CBABRP
C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)C1	ZINC000257246452	289206968	/nfs/dbraw/zinc/20/69/68/289206968.db2.gz	IUEUEUMEZGRCCJ-OCCSQVGLSA-N	2	0	269.389	-0.147	40	0		CBABRP
CC(C)[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](n2ccnc2)[C@H]1O	ZINC000952844963	790933443	/nfs/dbraw/zinc/93/34/43/790933443.db2.gz	XCFDBRIZMQWLOA-PZWNZHSQSA-N	2	0	253.302	-0.093	40	0	biogenic,in-vitro	CBABRP
[NH3+]CCCC[C@H]1NC(=O)[C@@H](CCCC[NH3+])NC1=O	ZINC000001578633	351304080	/nfs/dbraw/zinc/30/40/80/351304080.db2.gz	NUYHTXOPSQBZKC-NXEZZACHSA-N	2	0	256.350	-0.772	40	0		CBABRP
O=C1CN(CCCCCCN2CC(=O)[O+]=N2)N=[O+]1	ZINC000001685276	351306058	/nfs/dbraw/zinc/30/60/58/351306058.db2.gz	COUXKAGTXQOCAQ-UHFFFAOYSA-P	2	0	256.262	-0.091	40	0		CBABRP
CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH2+]CC2)C1	ZINC000306138106	372967228	/nfs/dbraw/zinc/96/72/28/372967228.db2.gz	RPIFWLPBWQILDY-UHFFFAOYSA-N	2	0	255.362	-0.223	40	0		CBABRP
C[NH+](C)CCCC(=O)N1CC[C@](O)(C[NH+](C)C)C1	ZINC000257287481	190027027	/nfs/dbraw/zinc/02/70/27/190027027.db2.gz	PQEBEGZHHOWKEY-ZDUSSCGKSA-N	2	0	257.378	-0.147	40	0		CBABRP
C[NH+]1CCN(C[C@@H]2OC[C@H]([NH2+]C3CCCC3)[C@H]2O)CC1	ZINC000514288676	420358147	/nfs/dbraw/zinc/35/81/47/420358147.db2.gz	KFXYCAFCUXBYKH-SOUVJXGZSA-N	2	0	283.416	-0.106	40	0	biogenic,in-vitro	CBABRP
CC[NH+](CC)CCNC(=O)CN1CCC[NH2+]CC1	ZINC000061268748	279105443	/nfs/dbraw/zinc/10/54/43/279105443.db2.gz	QGBWJTTWSPNTHV-UHFFFAOYSA-N	2	0	256.394	-0.260	40	0		CBABRP
Cc1nc(N)c(C[n+]2cccc(C(N)=O)c2)c[n+]1C	ZINC000004071792	230368482	/nfs/dbraw/zinc/36/84/82/230368482.db2.gz	JWAQTQALUIRESI-UHFFFAOYSA-P	2	0	259.313	-0.769	40	0		CBABRP
CC[NH+](CC)CCNC(=O)C(=O)NCC[NH+](CC)CC	ZINC000004428701	351318781	/nfs/dbraw/zinc/31/87/81/351318781.db2.gz	QQBJZFVHGHXOHQ-UHFFFAOYSA-N	2	0	286.420	-0.098	40	0		CBABRP
CN(C)CC(C[NH+](C)C)OC[C@H](C[NH+](C)C)N(C)C	ZINC000255187273	352384078	/nfs/dbraw/zinc/38/40/78/352384078.db2.gz	CKSGLWUDMDZNGI-ZDUSSCGKSA-N	2	0	274.453	-0.013	40	0		CBABRP
C[NH+]1CCC(N2CC[N@H+](C)C[C@@H](C(N)=O)C2)CC1	ZINC000257285943	352386186	/nfs/dbraw/zinc/38/61/86/352386186.db2.gz	PJMULDQADYHUBR-LLVKDONJSA-N	2	0	254.378	-0.571	40	0		CBABRP
[NH3+][C@@H]1c2ccc(-c3cnccn3)cc2[C@H]([NH3+])[C@@H](O)[C@H]1O	ZINC000575624101	354937770	/nfs/dbraw/zinc/93/77/70/354937770.db2.gz	GGHVXUUMDRMSNY-ZOBORPQBSA-N	2	0	272.308	-0.121	40	0		CBABRP
OCC[NH+](CCO)CCCCCC[NH+](CCO)CCO	ZINC000004429887	169967784	/nfs/dbraw/zinc/96/77/84/169967784.db2.gz	CKCCHKQRHWOCLZ-UHFFFAOYSA-N	2	0	292.420	-0.880	40	0		CBABRP
CC(C)[C@@H]([NH3+])C(=O)NCCNC(=O)[C@@H]([NH3+])C(C)C	ZINC000005733036	170135017	/nfs/dbraw/zinc/13/50/17/170135017.db2.gz	DWFQYBHBQWQYKB-AOOOYVTPSA-N	2	0	258.366	-0.815	40	0		CBABRP
C[N@@H+]1CCn2c(nnc2[C@H]2CCC[NH+](CCO)C2)C1	ZINC000072367753	176382186	/nfs/dbraw/zinc/38/21/86/176382186.db2.gz	VZSHSQVLHZQEHT-NSHDSACASA-N	2	0	265.361	-0.105	40	0		CBABRP
CC[NH+]1CCN(C[C@H](O)CN2CCC[NH2+]CC2)CC1	ZINC000064875854	351587871	/nfs/dbraw/zinc/58/78/71/351587871.db2.gz	PEXZEJYXCCADKJ-CQSZACIVSA-N	2	0	270.421	-0.720	40	0		CBABRP
CNC(=O)[C@H]1CN(C(=O)CC[NH+]2CCCC2)CC[N@H+](C)C1	ZINC000257204196	190011563	/nfs/dbraw/zinc/01/15/63/190011563.db2.gz	ATLZUPTZNSSWDE-CYBMUJFWSA-N	2	0	296.415	-0.392	40	0		CBABRP
CNC(=O)[C@@H]1CN(C(=O)CC[NH+]2CCCC2)CC[N@H+](C)C1	ZINC000257204197	190011696	/nfs/dbraw/zinc/01/16/96/190011696.db2.gz	ATLZUPTZNSSWDE-ZDUSSCGKSA-N	2	0	296.415	-0.392	40	0		CBABRP
[O-][n+]1cc(C[n+]2ccccc2)[n+]([O-])cc1C[n+]1ccccc1	ZINC000004901067	296597941	/nfs/dbraw/zinc/59/79/41/296597941.db2.gz	UVKAWZOPMHGURP-UHFFFAOYSA-N	2	0	296.330	-0.375	40	0		CBABRP
C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCC[NH2+]CC2)C[C@H](C)O1	ZINC000108362995	419482403	/nfs/dbraw/zinc/48/24/03/419482403.db2.gz	HJBZXKFAAKNDLH-MJBXVCDLSA-N	2	0	271.405	-0.248	40	0		CBABRP
CS(=O)(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)C1(C[NH3+])C[NH3+]	ZINC000218131875	278117331	/nfs/dbraw/zinc/11/73/31/278117331.db2.gz	ZPFCMPLLJUFSCQ-VXGBXAGGSA-N	2	0	298.364	-0.171	40	0		CBABRP
COC(C)(OC)c1cccc2c1[C@H]([NH3+])[C@@H](O)[C@@H](O)[C@@H]2[NH3+]	ZINC000575624236	354937709	/nfs/dbraw/zinc/93/77/09/354937709.db2.gz	QQAKZVPEXRMYSE-MROQNXINSA-N	2	0	282.340	-0.113	40	0		CBABRP
[NH3+]CCCO[C@@H]1CO[C@@H]2[C@@H](OCCC[NH3+])CO[C@@H]12	ZINC000004792210	170017664	/nfs/dbraw/zinc/01/76/64/170017664.db2.gz	XFDLDISETPZLMX-IWDIQUIJSA-N	2	0	260.334	-0.748	40	0		CBABRP
CC(C)[C@@H]([NH3+])C(=O)NCCNC(=O)[C@H]([NH3+])C(C)C	ZINC000006616838	170219553	/nfs/dbraw/zinc/21/95/53/170219553.db2.gz	DWFQYBHBQWQYKB-NXEZZACHSA-N	2	0	258.366	-0.815	40	0		CBABRP
[NH3+]CC(=O)N1CCC[C@@](O)(C[NH+]2CCOCC2)CC1	ZINC000257271119	303365986	/nfs/dbraw/zinc/36/59/86/303365986.db2.gz	MWYBNNRZURZQGF-ZDUSSCGKSA-N	2	0	271.361	-0.979	40	0		CBABRP
CC(C)[C@H]([NH3+])C(=O)NCCNC(=O)[C@@H]([NH3+])C(C)C	ZINC000001616449	351304850	/nfs/dbraw/zinc/30/48/50/351304850.db2.gz	DWFQYBHBQWQYKB-UWVGGRQHSA-N	2	0	258.366	-0.815	40	0		CBABRP
[NH3+]C[C@H](O)COc1cccc(OC[C@@H](O)C[NH3+])c1	ZINC000026896075	351366686	/nfs/dbraw/zinc/36/66/86/351366686.db2.gz	AGMKZAQPSDWBRB-UWVGGRQHSA-N	2	0	256.302	-0.917	40	0		CBABRP
[NH3+]C[C@@H](O)COc1ccc(OC[C@@H](O)C[NH3+])cc1	ZINC000026896266	351366777	/nfs/dbraw/zinc/36/67/77/351366777.db2.gz	WLRDKQUQWQBTNK-AOOOYVTPSA-N	2	0	256.302	-0.917	40	0		CBABRP
CN(C)CC(C[NH+](C)C)OC[C@@H](C[NH+](C)C)N(C)C	ZINC000255187272	352384034	/nfs/dbraw/zinc/38/40/34/352384034.db2.gz	CKSGLWUDMDZNGI-CYBMUJFWSA-N	2	0	274.453	-0.013	40	0		CBABRP
CS(=O)(=O)[C@H]1[C@@H](c2ccc3c(c2)OCO3)C1(C[NH3+])C[NH3+]	ZINC000218131958	419564955	/nfs/dbraw/zinc/56/49/55/419564955.db2.gz	ZPFCMPLLJUFSCQ-NEPJUHHUSA-N	2	0	298.364	-0.171	40	0		CBABRP
[NH3+]C[C@@H](O)COc1cccc(OC[C@@H](O)C[NH3+])c1	ZINC000026896072	351367439	/nfs/dbraw/zinc/36/74/39/351367439.db2.gz	AGMKZAQPSDWBRB-AOOOYVTPSA-N	2	0	256.302	-0.917	40	0		CBABRP
C[NH+]1CCC(N2CC[N@H+](C)C[C@H](C(N)=O)C2)CC1	ZINC000257285944	352386129	/nfs/dbraw/zinc/38/61/29/352386129.db2.gz	PJMULDQADYHUBR-NSHDSACASA-N	2	0	254.378	-0.571	40	0		CBABRP
[NH3+]CC(=O)N1CCC[C@](O)(C[NH+]2CCOCC2)CC1	ZINC000257271118	190023723	/nfs/dbraw/zinc/02/37/23/190023723.db2.gz	MWYBNNRZURZQGF-CYBMUJFWSA-N	2	0	271.361	-0.979	40	0		CBABRP
CS(=O)(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)C1(C[NH3+])C[NH3+]	ZINC000218132032	352234836	/nfs/dbraw/zinc/23/48/36/352234836.db2.gz	ZPFCMPLLJUFSCQ-NWDGAFQWSA-N	2	0	298.364	-0.171	40	0		CBABRP
C[C@@H]1C[NH+](C[C@@H](O)CN2CCC[NH2+]CC2)C[C@@H](C)O1	ZINC000108362990	419484264	/nfs/dbraw/zinc/48/42/64/419484264.db2.gz	HJBZXKFAAKNDLH-MCIONIFRSA-N	2	0	271.405	-0.248	40	0		CBABRP
[NH3+]C1CC(=O)C(CC2C(=O)CC([NH3+])CC2=O)C(=O)C1	ZINC000104142827	303360373	/nfs/dbraw/zinc/36/03/73/303360373.db2.gz	AJMWUMKMHOFOTN-UHFFFAOYSA-N	2	0	266.297	-0.873	40	0		CBABRP
C[C@@H]1C[NH+](C[C@H](O)CN2CCC[NH2+]CC2)C[C@@H](C)O1	ZINC000064875863	351587275	/nfs/dbraw/zinc/58/72/75/351587275.db2.gz	HJBZXKFAAKNDLH-MGPQQGTHSA-N	2	0	271.405	-0.248	40	0		CBABRP
CC[N@@H+]1CCO[C@@H]2CN(C(=O)C[NH+](C)C)C[C@@H]2C1	ZINC000096205899	351773457	/nfs/dbraw/zinc/77/34/57/351773457.db2.gz	CNGBHLIBMATYKO-NWDGAFQWSA-N	2	0	255.362	-0.273	40	0		CBABRP
C[NH+]1CCC(N2CC3(C2)C[N@H+](C)C[C@@H]2COCCN23)CC1	ZINC000604381736	355724173	/nfs/dbraw/zinc/72/41/73/355724173.db2.gz	MGFUSZXSNGUTHE-OAHLLOKOSA-N	2	0	294.443	-0.219	40	0	biogenic,in-vitro	CBABRP
C[N@@H+]1CCN(C(=O)CC[NH+]2CCCC2)C[C@H](C(N)=O)C1	ZINC000257287237	190027042	/nfs/dbraw/zinc/02/70/42/190027042.db2.gz	PPDBLWWQEWCKMJ-GFCCVEGCSA-N	2	0	282.388	-0.652	40	0		CBABRP
[NH3+]CCCO[C@@H]1CO[C@H]2[C@@H](OCCC[NH3+])CO[C@@H]12	ZINC000004792212	170017889	/nfs/dbraw/zinc/01/78/89/170017889.db2.gz	XFDLDISETPZLMX-USZNOCQGSA-N	2	0	260.334	-0.748	40	0		CBABRP
C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)C1	ZINC000257246453	289223322	/nfs/dbraw/zinc/22/33/22/289223322.db2.gz	IUEUEUMEZGRCCJ-TZMCWYRMSA-N	2	0	269.389	-0.147	40	0		CBABRP
[NH3+]CCCN1CCCN=C1C1=[NH+]CCCN1CCC[NH3+]	ZINC000001716325	303378133	/nfs/dbraw/zinc/37/81/33/303378133.db2.gz	YMUWYTXHKQTIGX-UHFFFAOYSA-N	3	0	280.420	-0.108	40	0		CBABRP
[NH3+]CC(=O)N1CC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1	ZINC000257259425	372903112	/nfs/dbraw/zinc/90/31/12/372903112.db2.gz	KYHGBSJVRHKKDJ-INIZCTEOSA-N	2	0	289.379	-0.033	40	0		CBABRP
CC[NH+]1CCN(CC(=O)N2CC[C@](O)(C[NH+](C)C)C2)CC1	ZINC000257301845	190030155	/nfs/dbraw/zinc/03/01/55/190030155.db2.gz	SAFFZYGTNHGCCA-HNNXBMFYSA-N	2	0	298.431	-0.851	40	0		CBABRP
[NH3+]C[C@@H](O)COc1cccc(OC[C@H](O)C[NH3+])c1	ZINC000026896078	171502460	/nfs/dbraw/zinc/50/24/60/171502460.db2.gz	AGMKZAQPSDWBRB-NXEZZACHSA-N	2	0	256.302	-0.917	40	0		CBABRP
O[C@@H]1[C@@H](n2ccnc2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]C1CCOCC1	ZINC000952844807	790934978	/nfs/dbraw/zinc/93/49/78/790934978.db2.gz	KPUINJCNBPPKKJ-XGFWRYKXSA-N	2	0	295.339	-0.323	40	0	biogenic,in-vitro	CBABRP
C[NH+](C)C[C@]1(O)CCN(C(=O)[C@H]2CCC[N@H+](C)C2)C1	ZINC000257246450	282143798	/nfs/dbraw/zinc/14/37/98/282143798.db2.gz	IUEUEUMEZGRCCJ-GXTWGEPZSA-N	2	0	269.389	-0.147	40	0		CBABRP
COC(=O)CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000001577527	351303660	/nfs/dbraw/zinc/30/36/60/351303660.db2.gz	IMEMKNYAKHXGHR-UHFFFAOYSA-N	2	0	273.377	-0.109	40	0		CBABRP
CC[NH+]1CCN(C[C@@H](O)CN2CCC[NH2+]CC2)CC1	ZINC000064875857	351587214	/nfs/dbraw/zinc/58/72/14/351587214.db2.gz	PEXZEJYXCCADKJ-AWEZNQCLSA-N	2	0	270.421	-0.720	40	0		CBABRP
C[C@H]1C[NH+](C[C@H](O)CN2CCC[NH2+]CC2)C[C@H](C)O1	ZINC000064875861	351587362	/nfs/dbraw/zinc/58/73/62/351587362.db2.gz	HJBZXKFAAKNDLH-MELADBBJSA-N	2	0	271.405	-0.248	40	0		CBABRP
[NH3+]CC(=O)N1CC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)C1	ZINC000257259426	372902691	/nfs/dbraw/zinc/90/26/91/372902691.db2.gz	KYHGBSJVRHKKDJ-MRXNPFEDSA-N	2	0	289.379	-0.033	40	0		CBABRP
C[NH+](C)CCCC(=O)N1CC[C@@](O)(C[NH+](C)C)C1	ZINC000257287480	190027270	/nfs/dbraw/zinc/02/72/70/190027270.db2.gz	PQEBEGZHHOWKEY-CYBMUJFWSA-N	2	0	257.378	-0.147	40	0		CBABRP
NC(=O)c1ccc[n+](CC[n+]2cccc(C(N)=O)c2)c1	ZINC000001691174	169743736	/nfs/dbraw/zinc/74/37/36/169743736.db2.gz	YGOBXPGLCYMXSE-UHFFFAOYSA-P	2	0	272.308	-0.840	40	0		CBABRP