smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1[NH2+]C1CCCCCCC1	ZINC000005374934	230369510	/nfs/dbraw/zinc/36/95/10/230369510.db2.gz	WVWXOQWPYUOIGC-LKOXWEHBSA-N	1	0	250.386	3.318	40	30		CGEBRO
COc1ccc(C)cc1C(=O)C[n+]1ccc2ccccc2c1	ZINC000001667449	368428589	/nfs/dbraw/zinc/42/85/89/368428589.db2.gz	LYYHHCGQVOZRLI-UHFFFAOYSA-N	1	0	292.358	3.327	40	30		CGEBRO
COc1ccc(/C=C2/CCC[C@H](C[NH+](C)C)C2=O)cc1	ZINC000031861569	286267272	/nfs/dbraw/zinc/26/72/72/286267272.db2.gz	BZZVSTIKPGXTCG-QKXCFHHRSA-N	1	0	273.376	3.009	40	30		CGEBRO
C(=NNc1ccccc1)c1cccc[n+]1Cc1ccccc1	ZINC000005119141	170067860	/nfs/dbraw/zinc/06/78/60/170067860.db2.gz	DMNSJQVRYOZGQF-UHFFFAOYSA-O	1	0	288.374	3.468	40	30		CGEBRO
C[NH2+]CCC[C@@](C#N)(c1ccc(OC)c(OC)c1)C(C)C	ZINC000005761473	170137787	/nfs/dbraw/zinc/13/77/87/170137787.db2.gz	WLOBUUJURNEQCL-KRWDZBQOSA-N	1	0	290.407	3.121	40	30	endogenous,world	CGEBRO
C=CCOC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)O1	ZINC000096056383	185077915	/nfs/dbraw/zinc/07/79/15/185077915.db2.gz	FJUWDGNJHMVHCY-FVQBIDKESA-N	1	0	293.432	3.073	40	30		CGEBRO
CCc1scc(C)[n+]1CC(=O)c1ccc(C)cc1	ZINC000001667172	368429249	/nfs/dbraw/zinc/42/92/49/368429249.db2.gz	LFGNWSWLQWRVRC-UHFFFAOYSA-N	1	0	260.382	3.098	40	30		CGEBRO
C#CC(C)(C)[N@H+]1C[C@@H](C)[C@](O)(c2ccccc2)C[C@@H]1C	ZINC000036023023	369006968	/nfs/dbraw/zinc/00/69/68/369006968.db2.gz	IAAKUFFGGFOSEZ-VKJFTORMSA-N	1	0	271.404	3.016	40	30		CGEBRO
Cc1ccc(/C=C2/CCC[C@H](C[NH+](C)C)C2=O)cc1	ZINC000000174036	292040110	/nfs/dbraw/zinc/04/01/10/292040110.db2.gz	QOCSMRCWFGVLHP-UVQBRAAOSA-N	1	0	257.377	3.309	40	30		CGEBRO
C[NH+](C)CCS/C(=N\c1ccccc1)n1cccc1	ZINC000017221121	273797383	/nfs/dbraw/zinc/79/73/83/273797383.db2.gz	CMWKHVOKWXCYMG-NXVVXOECSA-N	1	0	273.405	3.319	40	30		CGEBRO
N#Cc1ccc2c(c1)CO[C@@]2(CCC[NH3+])c1ccc(F)cc1	ZINC000006093314	303201263	/nfs/dbraw/zinc/20/12/63/303201263.db2.gz	RKUKMUWCRLRPEJ-SFHVURJKSA-N	1	0	296.345	3.210	40	30	world	CGEBRO
CN(C)/C=[NH+]/c1c2ccccc2nc2c1CCCC2	ZINC000018143082	368740413	/nfs/dbraw/zinc/74/04/13/368740413.db2.gz	JJBUZCHGNWYIGM-GZTJUZNOSA-N	1	0	253.349	3.335	40	30		CGEBRO
CN(C)c1ccc(/C=[NH+]/OCc2ccccc2C#N)cc1	ZINC000015553190	344884456	/nfs/dbraw/zinc/88/44/56/344884456.db2.gz	INYQPJWWLXGWBU-XDHOZWIPSA-N	1	0	279.343	3.175	40	30		CGEBRO
CC[NH+](CC)CC[C@@](C)(C#N)c1cccc(OC)c1OC	ZINC000002042809	368444387	/nfs/dbraw/zinc/44/43/87/368444387.db2.gz	IANZFSNRGPYBKQ-KRWDZBQOSA-N	1	0	290.407	3.217	40	30		CGEBRO
Cc1ccc[n+](CC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1	ZINC000004530184	368549965	/nfs/dbraw/zinc/54/99/65/368549965.db2.gz	IAQGDUKTKSORTG-UAGQMJEPSA-N	1	0	290.427	3.287	40	30		CGEBRO
C=CC[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@]1(O)C=C	ZINC000212418756	376136316	/nfs/dbraw/zinc/13/63/16/376136316.db2.gz	UKGYJKYNANSDBD-SJORKVTESA-N	1	0	257.377	3.144	40	30		CGEBRO
C[N+](C)(CC#Cc1ccccc1)Cc1ccccc1	ZINC000005008233	170054642	/nfs/dbraw/zinc/05/46/42/170054642.db2.gz	SHJPJGSTJJSQGX-UHFFFAOYSA-N	1	0	250.365	3.315	40	30		CGEBRO
C=CC[NH2+]Cc1cc(Cl)c(OCC)c(OC)c1	ZINC000008253380	170327000	/nfs/dbraw/zinc/32/70/00/170327000.db2.gz	QBGKAYOBPXMJAC-UHFFFAOYSA-N	1	0	255.745	3.023	40	30		CGEBRO
COc1ccc(/C=C2/CCC[C@@H](C[NH+](C)C)C2=O)cc1	ZINC000031861567	277398839	/nfs/dbraw/zinc/39/88/39/277398839.db2.gz	BZZVSTIKPGXTCG-SZGZABIGSA-N	1	0	273.376	3.009	40	30		CGEBRO
COc1ccc(NN=C(CC[NH+](C)C)c2ccccc2)cc1	ZINC000005888806	524380682	/nfs/dbraw/zinc/38/06/82/524380682.db2.gz	NVVCXRYJHHOTJE-CZIZESTLSA-N	1	0	297.402	3.463	40	30		CGEBRO
COc1ccc(NC(=[NH2+])N2CCCc3ccccc32)cc1	ZINC000005853804	536613805	/nfs/dbraw/zinc/61/38/05/536613805.db2.gz	LLUOEUXXZUZEJS-UHFFFAOYSA-N	1	0	281.359	3.094	40	30		CGEBRO
Cc1cc2ccccc2c[n+]1CC(=O)c1ccccc1	ZINC000001667621	368428815	/nfs/dbraw/zinc/42/88/15/368428815.db2.gz	UTECZTXYTJVNKZ-UHFFFAOYSA-N	1	0	262.332	3.319	40	30		CGEBRO
COc1c(C)cccc1C(=O)C[n+]1ccc2ccccc2c1	ZINC000001667448	368429192	/nfs/dbraw/zinc/42/91/92/368429192.db2.gz	MLFCKGMGGSECRL-UHFFFAOYSA-N	1	0	292.358	3.327	40	30		CGEBRO
O=C(C[n+]1ccccc1Cl)c1ccc2c(c1)CCCC2	ZINC000001669551	368429230	/nfs/dbraw/zinc/42/92/30/368429230.db2.gz	XKIHLBVNBMMVJI-UHFFFAOYSA-N	1	0	286.782	3.389	40	30		CGEBRO
C=CC[n+]1ccccc1/C=C/c1ccc(NC(C)=O)cc1	ZINC000004774869	368558323	/nfs/dbraw/zinc/55/83/23/368558323.db2.gz	BBIUZTIRLBFWSF-UHFFFAOYSA-O	1	0	279.363	3.289	40	30		CGEBRO
C#CCn1cc(/C=C/c2cc[n+](C)cc2)c2ccccc21	ZINC000004932908	368559667	/nfs/dbraw/zinc/55/96/67/368559667.db2.gz	HHFQTQDHIDTLGO-UHFFFAOYSA-N	1	0	273.359	3.269	40	30		CGEBRO
CC(C)=CCCC(C)=CCCC(C)N=NC(N)=[NH2+]	ZINC000017376390	368731943	/nfs/dbraw/zinc/73/19/43/368731943.db2.gz	XJAJMKSELBJGPB-YFQGEUPVSA-N	1	0	250.390	3.318	40	30		CGEBRO
C=CC[N@H+]1CCC[C@]12CCCN(C(=O)c1ccc(C)cc1)C2	ZINC000096214722	370208612	/nfs/dbraw/zinc/20/86/12/370208612.db2.gz	NGVJQEPWXUQFJA-IBGZPJMESA-N	1	0	298.430	3.252	40	30		CGEBRO
Cc1ccc(/C=C2/CCC[C@@H](C[NH+](C)C)C2=O)cc1	ZINC000000174033	391907382	/nfs/dbraw/zinc/90/73/82/391907382.db2.gz	QOCSMRCWFGVLHP-QZFKAFNDSA-N	1	0	257.377	3.309	40	30		CGEBRO
O=C1C[C@@H](c2ccccc2)CC2=[NH+][C@@H]3CCCC[C@@H]3NC=C12	ZINC000005342917	280269477	/nfs/dbraw/zinc/26/94/77/280269477.db2.gz	QHHVMULABNCBPL-BHYGNILZSA-N	1	0	294.398	3.372	40	30		CGEBRO
C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccsc1)C2	ZINC000096048195	185072818	/nfs/dbraw/zinc/07/28/18/185072818.db2.gz	IXVCEQIXGZTTJV-HOTGVXAUSA-N	1	0	293.432	3.074	40	30		CGEBRO
O=C(C[n+]1cccc2ccccc21)c1cccs1	ZINC000001669533	391913673	/nfs/dbraw/zinc/91/36/73/391913673.db2.gz	AHAFHUIZHDQWCO-UHFFFAOYSA-N	1	0	254.334	3.072	40	30		CGEBRO
COc1ccc(C(=O)C[n+]2cccc3ccccc32)c(F)c1	ZINC000005916261	170154991	/nfs/dbraw/zinc/15/49/91/170154991.db2.gz	MSFAJDSTXLDCFH-UHFFFAOYSA-N	1	0	296.321	3.158	40	30		CGEBRO
C=CC[NH2+]Cc1cc(Cl)c(OC)c(OCC)c1	ZINC000008253655	170327471	/nfs/dbraw/zinc/32/74/71/170327471.db2.gz	BYZRUAHHHDRSJP-UHFFFAOYSA-N	1	0	255.745	3.023	40	30		CGEBRO
C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccs1)C2	ZINC000096048185	185073662	/nfs/dbraw/zinc/07/36/62/185073662.db2.gz	ZPDXWRGBFHNNDK-GOEBONIOSA-N	1	0	293.432	3.074	40	30		CGEBRO
Cc1cccc[n+]1CC(=O)c1ccc2ccccc2c1	ZINC000001667294	368429370	/nfs/dbraw/zinc/42/93/70/368429370.db2.gz	IWYBVNXHMOAOTI-UHFFFAOYSA-N	1	0	262.332	3.319	40	30		CGEBRO
Cc1cc[n+](CC(=O)O[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1	ZINC000005926991	170156415	/nfs/dbraw/zinc/15/64/15/170156415.db2.gz	KORRGCAWCXHUDW-VKJFTORMSA-N	1	0	288.411	3.041	40	30		CGEBRO
C=CC[N@H+]1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCCC[C@H]12	ZINC000218904020	329136767	/nfs/dbraw/zinc/13/67/67/329136767.db2.gz	WFKAWNAKDBAKDH-LNLFQRSKSA-N	1	0	298.430	3.437	40	30	biogenic	CGEBRO
Cc1ccc[n+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)c1	ZINC000004129528	368532164	/nfs/dbraw/zinc/53/21/64/368532164.db2.gz	MGLRQEHOVAZWMY-HNNXBMFYSA-O	1	0	269.368	3.099	40	30		CGEBRO
CCOC(=O)c1ccc(NC(C)=[NH+]C(C)(C)C)cc1	ZINC000017124664	368726920	/nfs/dbraw/zinc/72/69/20/368726920.db2.gz	UOMYLKHWYXGJKX-UHFFFAOYSA-N	1	0	262.353	3.301	40	30		CGEBRO
Cc1cc[n+](CC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1	ZINC000245232001	376801345	/nfs/dbraw/zinc/80/13/45/376801345.db2.gz	NSRQRKHYRJGBQW-YESZJQIVSA-N	1	0	290.427	3.287	40	30		CGEBRO
CNc1ccc(/C(N)=C2\C=C/C(=[NH+]\C)C(C)=C2)cc1C	ZINC000000402249	184527707	/nfs/dbraw/zinc/52/77/07/184527707.db2.gz	YTMHBHWKCGWZGK-GPTUVENPSA-N	1	0	267.376	3.293	40	30		CGEBRO
C=CCOc1c(Cl)cc(C[NH2+]CC)cc1OC	ZINC000008227168	170326041	/nfs/dbraw/zinc/32/60/41/170326041.db2.gz	UVZBRPNLPYYLFC-UHFFFAOYSA-N	1	0	255.745	3.023	40	30		CGEBRO
Cc1cc[n+](CC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1	ZINC000004714709	261062265	/nfs/dbraw/zinc/06/22/65/261062265.db2.gz	NSRQRKHYRJGBQW-ZACQAIPSSA-N	1	0	290.427	3.287	40	30		CGEBRO
N#C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1	ZINC000026895106	368865072	/nfs/dbraw/zinc/86/50/72/368865072.db2.gz	LHKVKWYSDARUCV-QZTJIDSGSA-N	1	0	262.356	3.426	40	30		CGEBRO
Cc1nc(NCc2ccc3c(c2)C[NH2+]C3)c(Cl)cc1C#N	ZINC000261603075	377826941	/nfs/dbraw/zinc/82/69/41/377826941.db2.gz	CGBZFMPDHHPSEF-UHFFFAOYSA-N	1	0	298.777	3.130	40	30		CGEBRO
O[C@](C#CC[NH+]1CCCC1)(c1ccccc1)C1CCCC1	ZINC000000198388	169571490	/nfs/dbraw/zinc/57/14/90/169571490.db2.gz	AVWNFUAIXNOOSJ-LJQANCHMSA-N	1	0	283.415	3.164	40	30		CGEBRO
CCCCCCCC[NH2+]Cc1cnc(NCC)nc1	ZINC000103596312	392276606	/nfs/dbraw/zinc/27/66/06/392276606.db2.gz	OUURDRWEBLFTIS-UHFFFAOYSA-N	1	0	264.417	3.359	40	30		CGEBRO
O=C(/C=C/[n+]1ccccc1)c1cccc(Br)c1	ZINC000005583116	170116342	/nfs/dbraw/zinc/11/63/42/170116342.db2.gz	VZKICWPZXGRIMD-JXMROGBWSA-N	1	0	289.152	3.090	40	30		CGEBRO
CC(C)C[C@@H](C[NH+](C)C)C(=O)/C=C\c1ccccc1	ZINC000017175182	368730102	/nfs/dbraw/zinc/73/01/02/368730102.db2.gz	JJRXVKWWTTYBNO-SNGWPZLWSA-N	1	0	259.393	3.493	40	30		CGEBRO
COc1ccc(/C=C2\CCC[C@H](C[NH+](C)C)C2=O)cc1	ZINC000006003747	368565630	/nfs/dbraw/zinc/56/56/30/368565630.db2.gz	BZZVSTIKPGXTCG-ATGUSINASA-N	1	0	273.376	3.009	40	30		CGEBRO
C#CCC(C)(C)OC[C@@H](O)C[NH+]1C(C)(C)CCCC1(C)C	ZINC000028295160	368884983	/nfs/dbraw/zinc/88/49/83/368884983.db2.gz	FBOMHKMZTKNPNE-HNNXBMFYSA-N	1	0	295.467	3.209	40	30		CGEBRO
C=CC[N+](C)(C)CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000002290769	276911672	/nfs/dbraw/zinc/91/16/72/276911672.db2.gz	SLARZQHNLGEXOZ-JJRVBVJISA-N	1	0	280.432	3.007	40	30		CGEBRO
Cc1cc[n+](CC(=O)O[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1	ZINC000002288739	368452136	/nfs/dbraw/zinc/45/21/36/368452136.db2.gz	KORRGCAWCXHUDW-RLFYNMQTSA-N	1	0	288.411	3.041	40	30		CGEBRO
C=CCN(CC=C)/C(CC(=O)C(C)(C)C)=[NH+]\CC	ZINC000104200936	370339703	/nfs/dbraw/zinc/33/97/03/370339703.db2.gz	QEPOXRJNKOTUSI-PEZBUJJGSA-N	1	0	250.386	3.084	40	30		CGEBRO
CN(C)c1ccc([N+](=O)Cc2cccc3nsnc32)cc1	ZINC000005695393	170129839	/nfs/dbraw/zinc/12/98/39/170129839.db2.gz	ONXAQKRMVQHNGG-VXLYETTFSA-N	1	0	298.371	3.018	40	30		CGEBRO
CC[N@H+](Cc1ccccc1)[C@@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000016681409	276142334	/nfs/dbraw/zinc/14/23/34/276142334.db2.gz	LFTHKQZHIHKPEK-WLHPEJTHSA-N	1	0	258.365	3.137	40	30		CGEBRO
O[C@@](C#CC[NH+]1CCCC1)(c1ccccc1)C1CCCC1	ZINC000000198383	368313830	/nfs/dbraw/zinc/31/38/30/368313830.db2.gz	AVWNFUAIXNOOSJ-IBGZPJMESA-N	1	0	283.415	3.164	40	30		CGEBRO
C[N+]1(CC(=O)c2ccccc2)CCc2ccccc2C1	ZINC000001667032	368427570	/nfs/dbraw/zinc/42/75/70/368427570.db2.gz	JBIYBTTWLKQMFZ-UHFFFAOYSA-N	1	0	266.364	3.072	40	30		CGEBRO
COc1ccc(/C=C2\CC[C@](C)(C[NH+](C)C)C2=O)cc1	ZINC000017198811	368730153	/nfs/dbraw/zinc/73/01/53/368730153.db2.gz	WATIVQPOQIUXNJ-GWKQRERASA-N	1	0	273.376	3.009	40	30		CGEBRO
O/N=C1/[C@H]([N@@H+]2CCC[C@H]3CCCC[C@H]32)[C@@H]2CC[C@H]1C2	ZINC000035193916	369001127	/nfs/dbraw/zinc/00/11/27/369001127.db2.gz	DUVHOKXICRQEBV-QOKMNYIVSA-N	1	0	262.397	3.270	40	30		CGEBRO
Cc1ccc(C(=O)C[n+]2ccc3ccccc3c2)c(O)c1	ZINC000001640982	169731575	/nfs/dbraw/zinc/73/15/75/169731575.db2.gz	OIBBMNNAQNKPSP-UHFFFAOYSA-O	1	0	278.331	3.024	40	30		CGEBRO
CCCCCCCCCC(=O)N1CC[N+](C)(C)CC1	ZINC000001714950	528122849	/nfs/dbraw/zinc/12/28/49/528122849.db2.gz	AFRPGGMCZWTALR-UHFFFAOYSA-N	1	0	269.453	3.046	40	30		CGEBRO
C[NH+](C)CCC(C#N)(c1ccccc1)c1ccccc1	ZINC000001713248	368434792	/nfs/dbraw/zinc/43/47/92/368434792.db2.gz	SZOCKYDZSPRJPT-UHFFFAOYSA-N	1	0	264.372	3.448	40	30	in-vitro	CGEBRO
C=CCN1CC[N@@H+](Cc2ccc(C)s2)Cc2cccnc21	ZINC000096060951	370203260	/nfs/dbraw/zinc/20/32/60/370203260.db2.gz	KFJKTKJZDJWXBA-UHFFFAOYSA-N	1	0	299.443	3.460	40	30		CGEBRO
C[N+](C)(C)Cc1ccccc1/C(=N\O)c1ccccc1	ZINC000104086522	370337747	/nfs/dbraw/zinc/33/77/47/370337747.db2.gz	PDHGKNQRPRZZLV-ZCXUNETKSA-O	1	0	269.368	3.119	40	30		CGEBRO
COc1ccc(/C=C\C(=O)CC[NH+]2CCCCC2)cc1	ZINC000016892479	533241732	/nfs/dbraw/zinc/24/17/32/533241732.db2.gz	OBZPTHOMUJZVBC-YVMONPNESA-N	1	0	273.376	3.154	40	30		CGEBRO
C[NH+](C)CC[C@@](C#N)(c1ccc(Cl)cc1)c1ccccn1	ZINC000005140458	170070609	/nfs/dbraw/zinc/07/06/09/170070609.db2.gz	XWFSLFHFPQWKNV-QGZVFWFLSA-N	1	0	299.805	3.496	40	30	in-vitro	CGEBRO
C=CC[N@H+]1C[C@@H](C)[C@@H](OC(=O)c2ccccc2)C[C@@H]1C	ZINC000005376940	170090767	/nfs/dbraw/zinc/09/07/67/170090767.db2.gz	GCJXHLAUPMDQPQ-YCPHGPKFSA-N	1	0	273.376	3.128	40	30		CGEBRO
C=CC12CC[NH+](CC1)[C@H]([C@H](O)c1ccnc3ccccc31)C2	ZINC000255188567	275741994	/nfs/dbraw/zinc/74/19/94/275741994.db2.gz	KKAXKCAVAOUING-ZWKOTPCHSA-N	1	0	294.398	3.309	40	30		CGEBRO
Oc1ccc(/C=N/C[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1	ZINC000036507572	369022239	/nfs/dbraw/zinc/02/22/39/369022239.db2.gz	CQQPHVVCNFQDKX-LUHQZAGKSA-N	1	0	272.392	3.076	40	30		CGEBRO
C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccccc1C)C2	ZINC000096214717	370208807	/nfs/dbraw/zinc/20/88/07/370208807.db2.gz	RNOJTMHDBXARGS-LJQANCHMSA-N	1	0	298.430	3.252	40	30		CGEBRO
C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)c1cccc(C)c1)C2	ZINC000096214720	256805146	/nfs/dbraw/zinc/80/51/46/256805146.db2.gz	OOHNUKXEVMJVNJ-LJQANCHMSA-N	1	0	298.430	3.252	40	30		CGEBRO
C[NH+](C)C[C@H](C(=O)/C=C/c1ccccc1)C(C)(C)C	ZINC000001610811	391913109	/nfs/dbraw/zinc/91/31/09/391913109.db2.gz	ZSIVVWYUUVQESE-AYJWMTRPSA-N	1	0	259.393	3.493	40	30		CGEBRO
C=CCO[C@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21	ZINC000096241846	392246191	/nfs/dbraw/zinc/24/61/91/392246191.db2.gz	LWXBMVUSBJGCMA-INIZCTEOSA-N	1	0	257.377	3.264	40	30		CGEBRO
C=CCO[C@@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21	ZINC000096241845	392246323	/nfs/dbraw/zinc/24/63/23/392246323.db2.gz	LWXBMVUSBJGCMA-MRXNPFEDSA-N	1	0	257.377	3.264	40	30		CGEBRO
C=CC[N@@H+]1CCC[C@@]12CCCN(C(=O)Nc1ccccc1)C2	ZINC000096214772	392246919	/nfs/dbraw/zinc/24/69/19/392246919.db2.gz	OAXBTLFLFVZSRJ-GOSISDBHSA-N	1	0	299.418	3.335	40	30		CGEBRO
CCCCCCC[NH2+]Cc1cnc(SC)nc1	ZINC000103595898	392276668	/nfs/dbraw/zinc/27/66/68/392276668.db2.gz	WATMVEOMDMBCLE-UHFFFAOYSA-N	1	0	253.415	3.259	40	30		CGEBRO
Cc1cc(C)cc(C(=O)O/N=C2/C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1	ZINC000005361806	170089479	/nfs/dbraw/zinc/08/94/79/170089479.db2.gz	SZODBIJMCWIIGC-AYGAQVIVSA-N	1	0	288.391	3.176	40	30		CGEBRO
CCCC[n+]1ccc(/C(=N\O)c2ccccc2)cc1	ZINC000005421372	170097839	/nfs/dbraw/zinc/09/78/39/170097839.db2.gz	JETYPRPDEPXTJI-UHFFFAOYSA-O	1	0	255.341	3.001	40	30		CGEBRO
CN(C)c1ccc(/C=[NH+]/OCc2cccc([N+](=O)[O-])c2)cc1	ZINC000014359939	344882444	/nfs/dbraw/zinc/88/24/44/344882444.db2.gz	LYSTXQOIFGVAFH-GZTJUZNOSA-N	1	0	299.330	3.212	40	30		CGEBRO
CC(=O)C[n+]1ccccc1Sc1ccccc1C	ZINC000001579140	368420992	/nfs/dbraw/zinc/42/09/92/368420992.db2.gz	MYLSECQOPMLULK-UHFFFAOYSA-N	1	0	258.366	3.023	40	30		CGEBRO
CCCCNc1ccc(C#N)c(OCC[NH+](CC)CC)c1	ZINC000001661190	368428003	/nfs/dbraw/zinc/42/80/03/368428003.db2.gz	KRSFEDDURYUJJU-UHFFFAOYSA-N	1	0	289.423	3.491	40	30		CGEBRO
COc1ccc(/C=C/C(=O)CC[NH+]2CCCCC2)cc1	ZINC000001687265	368431584	/nfs/dbraw/zinc/43/15/84/368431584.db2.gz	OBZPTHOMUJZVBC-VMPITWQZSA-N	1	0	273.376	3.154	40	30		CGEBRO
Oc1ccc(/C=N/C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1	ZINC000004482136	368547422	/nfs/dbraw/zinc/54/74/22/368547422.db2.gz	CQQPHVVCNFQDKX-YQMBXKBSSA-N	1	0	272.392	3.076	40	30		CGEBRO
COc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(=NO)C3)cc1	ZINC000013999906	368672953	/nfs/dbraw/zinc/67/29/53/368672953.db2.gz	YEIFPAICVRIARE-GASCZTMLSA-N	1	0	274.364	3.042	40	30		CGEBRO
N#C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1	ZINC000033689894	368967469	/nfs/dbraw/zinc/96/74/69/368967469.db2.gz	LHKVKWYSDARUCV-ROUUACIJSA-N	1	0	262.356	3.426	40	30		CGEBRO
C=CC[N@H+]1CCC[C@]12CCCN(Cc1csc(C)n1)C2	ZINC000096214849	370208211	/nfs/dbraw/zinc/20/82/11/370208211.db2.gz	BINIOJOJTXIIAK-INIZCTEOSA-N	1	0	291.464	3.068	40	30		CGEBRO
CC1(C)CC(=O)C2=CN(Cc3ccccc3)CC[NH+]=C2C1	ZINC000020674257	275808066	/nfs/dbraw/zinc/80/80/66/275808066.db2.gz	ADBBBXKMQRJZKB-UHFFFAOYSA-N	1	0	282.387	3.216	40	30		CGEBRO
CC(c1cccs1)[N+](=O)[C@@H](C)C(=NO)c1ccccc1	ZINC000013098303	527545070	/nfs/dbraw/zinc/54/50/70/527545070.db2.gz	FWHATFQLFJSAGY-KPXASSSOSA-N	1	0	288.372	3.334	40	30		CGEBRO
C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccsc1)C2	ZINC000096048193	185072364	/nfs/dbraw/zinc/07/23/64/185072364.db2.gz	IXVCEQIXGZTTJV-JKSUJKDBSA-N	1	0	293.432	3.074	40	30		CGEBRO
CC[N+](/C=C/C(=O)c1ccc(OC)cc1)(CC)CC	ZINC000002572974	368466529	/nfs/dbraw/zinc/46/65/29/368466529.db2.gz	PHOYWSMACXBIOM-OUKQBFOZSA-N	1	0	262.373	3.268	40	30		CGEBRO
C[C@H]1C[C@](CC#N)(Cc2ccccc2)[C@H](C)C[N@@H+]1C	ZINC000004006541	368525946	/nfs/dbraw/zinc/52/59/46/368525946.db2.gz	RNTBUEWRNSUQKM-HLLBOEOZSA-N	1	0	256.393	3.489	40	30		CGEBRO
C#C[C@H]1CN2CC[C@H]1C[C@@H]2C[NH2+]Cc1ccc(C(C)C)cc1	ZINC000020503761	368807729	/nfs/dbraw/zinc/80/77/29/368807729.db2.gz	KOHUHINVXKURAU-YSIASYRMSA-N	1	0	296.458	3.243	40	30	biogenic,in-vitro	CGEBRO
C=CCOc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1	ZINC000006856080	170249584	/nfs/dbraw/zinc/24/95/84/170249584.db2.gz	IXWSTAVQGIQPHY-UHFFFAOYSA-N	1	0	297.354	3.270	40	30		CGEBRO
C=CCn1cc(C[NH+]2CCC(c3ccncc3)CC2)c(C)n1	ZINC000072397829	176395468	/nfs/dbraw/zinc/39/54/68/176395468.db2.gz	UHEPVBIHRQCYCP-UHFFFAOYSA-N	1	0	296.418	3.152	40	30		CGEBRO
C[NH+](C)C[C@@H](C(=O)/C=C/c1ccccc1)C(C)(C)C	ZINC000001610809	282115835	/nfs/dbraw/zinc/11/58/35/282115835.db2.gz	ZSIVVWYUUVQESE-RUMSDORHSA-N	1	0	259.393	3.493	40	30		CGEBRO
COc1ccc(/C=C2/CC[C@](C)(C[NH+](C)C)C2=O)cc1	ZINC000001625905	368425015	/nfs/dbraw/zinc/42/50/15/368425015.db2.gz	WATIVQPOQIUXNJ-VWILAXROSA-N	1	0	273.376	3.009	40	30		CGEBRO
COc1ccc2c(ccc[n+]2CC(=O)C2CCCCC2)c1	ZINC000001685130	368431741	/nfs/dbraw/zinc/43/17/41/368431741.db2.gz	YNSHQPMJBGTUBX-UHFFFAOYSA-N	1	0	284.379	3.285	40	30		CGEBRO
O/N=C1\CCC=CCC[C@H]1[N@@H+]1CCc2ccccc2C1	ZINC000017950678	368736231	/nfs/dbraw/zinc/73/62/31/368736231.db2.gz	IDRGZRXXYGNFDO-OYQUBQDESA-N	1	0	270.376	3.374	40	30		CGEBRO
Fc1ccc(/C(=[NH+]\Cc2ccccc2)N2CCOCC2)cc1	ZINC000104317970	370342564	/nfs/dbraw/zinc/34/25/64/370342564.db2.gz	BAQASOCKSAZCAP-CZIZESTLSA-N	1	0	298.361	3.105	40	30		CGEBRO
Cc1cc2ccccc2c[n+]1CC(=O)c1cccs1	ZINC000001669536	391912877	/nfs/dbraw/zinc/91/28/77/391912877.db2.gz	WURNAZYXQWDFJI-UHFFFAOYSA-N	1	0	268.361	3.380	40	30		CGEBRO
C=CC[C@H](C)[C@]12CC[NH2+][C@H](Cc3ccc(O)cc31)[C@H]2C	ZINC000005941736	170159630	/nfs/dbraw/zinc/15/96/30/170159630.db2.gz	FFZIDAYPZLTCSZ-DECQCQTCSA-N	1	0	271.404	3.396	40	30		CGEBRO
C=CCn1c2ccccc2nc1C[NH+]1CCCCC1	ZINC000007343620	170278050	/nfs/dbraw/zinc/27/80/50/170278050.db2.gz	XOVMKQNNBRRJHT-UHFFFAOYSA-N	1	0	255.365	3.208	40	30		CGEBRO
Cc1cc(C)cc(C(=O)O/N=C2/C[C@@H](C)[N@@H+](C)C[C@H]2C)c1	ZINC000016268979	262023116	/nfs/dbraw/zinc/02/31/16/262023116.db2.gz	SZODBIJMCWIIGC-BCHHYXHLSA-N	1	0	288.391	3.176	40	30		CGEBRO
C=CC[N+](C)(C)CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000002290768	277892130	/nfs/dbraw/zinc/89/21/30/277892130.db2.gz	SLARZQHNLGEXOZ-GRDNDAEWSA-N	1	0	280.432	3.007	40	30		CGEBRO
C[C@@H](C[NH+](C)C)C(=O)/C=C/c1ccc(Cl)cc1	ZINC000001590711	368422370	/nfs/dbraw/zinc/42/23/70/368422370.db2.gz	FHFGLPJJZGSQLF-LAHYYIKRSA-N	1	0	251.757	3.120	40	30		CGEBRO
CCCCCSCOCC#CC[NH+](CC)CC	ZINC000003159064	368493933	/nfs/dbraw/zinc/49/39/33/368493933.db2.gz	FBWDPEUVIIBXEK-UHFFFAOYSA-N	1	0	257.443	3.229	40	30		CGEBRO
CN(/N=C/C=[NH+]/N(C)c1ccccc1)c1ccccc1	ZINC000059447968	369580801	/nfs/dbraw/zinc/58/08/01/369580801.db2.gz	CZZIRIVKIQOMML-HBKJEHTGSA-N	1	0	266.348	3.231	40	30		CGEBRO
C=CCn1nc(C)c(C[NH2+]Cc2cc(C)oc2C)c1C	ZINC000085395735	397641265	/nfs/dbraw/zinc/64/12/65/397641265.db2.gz	NIBPTKAGZGSXBB-UHFFFAOYSA-N	1	0	273.380	3.186	40	30		CGEBRO
C(=[NH+]/Cc1ccccc1)\c1ccc(N2CCCC2)o1	ZINC000059138638	262386967	/nfs/dbraw/zinc/38/69/67/262386967.db2.gz	PEAIRKPKZFOAOG-GHRIWEEISA-N	1	0	254.333	3.499	40	30		CGEBRO
O=C(c1ccccc1)[C@H](c1ccccc1)[n+]1ccccc1	ZINC000001667633	368428763	/nfs/dbraw/zinc/42/87/63/368428763.db2.gz	UTXNLUIJZHOTEF-SFHVURJKSA-N	1	0	274.343	3.446	40	30		CGEBRO
CC[S@+](C)CCOC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C	ZINC000004682985	368557096	/nfs/dbraw/zinc/55/70/96/368557096.db2.gz	SASXFTPTKAVVSQ-VEVIJQCQSA-N	1	0	271.446	3.036	40	30		CGEBRO
O/N=C1/CCC[C@@H]1[NH+]1CCC(c2ccccc2)CC1	ZINC000100977219	370286521	/nfs/dbraw/zinc/28/65/21/370286521.db2.gz	ILKKIIUYDWEWJI-SCDSTIRESA-N	1	0	258.365	3.249	40	30		CGEBRO
C[NH+](C)CCS/C(=N\c1ccccc1)N1C=COC=C1	ZINC000102950581	370315997	/nfs/dbraw/zinc/31/59/97/370315997.db2.gz	KBKUZTBAYJVLAP-NXVVXOECSA-N	1	0	289.404	3.244	40	30		CGEBRO
CN(C)c1ccc([N+](=O)Cc2cccc3nsnc32)cc1	ZINC000000240910	169584290	/nfs/dbraw/zinc/58/42/90/169584290.db2.gz	ONXAQKRMVQHNGG-GRSHGNNSSA-N	1	0	298.371	3.018	40	30		CGEBRO
O=C1C[C@@H](c2ccccc2)CC2=[NH+][C@H]3CCCC[C@@H]3NC=C12	ZINC000005342921	296344607	/nfs/dbraw/zinc/34/46/07/296344607.db2.gz	QHHVMULABNCBPL-XIRDDKMYSA-N	1	0	294.398	3.372	40	30		CGEBRO
CCCC[NH+](CC#C[C@](C)(CC)OCCO)CCCC	ZINC000005419496	170097393	/nfs/dbraw/zinc/09/73/93/170097393.db2.gz	MTGJTIDSIODFMW-KRWDZBQOSA-N	1	0	283.456	3.070	40	30		CGEBRO
C[NH2+]CCC[C@](C#N)(c1ccc(OC)c(OC)c1)C(C)C	ZINC000005761248	170137781	/nfs/dbraw/zinc/13/77/81/170137781.db2.gz	WLOBUUJURNEQCL-QGZVFWFLSA-N	1	0	290.407	3.121	40	30	endogenous,world	CGEBRO
C=CC[N@@H+]1[C@@H]2CCCCC(=O)N[C@H]2C[C@H]1c1ccccc1	ZINC000095951340	185040252	/nfs/dbraw/zinc/04/02/52/185040252.db2.gz	JVXJFSAVWXRRBH-BBWFWOEESA-N	1	0	284.403	3.047	40	30		CGEBRO
Cc1ccc(C(C)C)cc1C(=O)C[n+]1ccccc1	ZINC000001667120	368428719	/nfs/dbraw/zinc/42/87/19/368428719.db2.gz	VPPQKSKCURNSNT-UHFFFAOYSA-N	1	0	254.353	3.289	40	30		CGEBRO
C=CC[n+]1c(C)n(C)c2cc(Cl)c(Cl)cc21	ZINC000004713946	368557172	/nfs/dbraw/zinc/55/71/72/368557172.db2.gz	RYMYDGMKJOXHII-UHFFFAOYSA-N	1	0	256.156	3.267	40	30		CGEBRO
Cc1ccc(/[NH+]=C(\c2cccs2)N2CCOCC2)cc1	ZINC000013116847	368644036	/nfs/dbraw/zinc/64/40/36/368644036.db2.gz	HKAYRYPFJJPXFO-WUKNDPDISA-N	1	0	286.400	3.467	40	30		CGEBRO
Cc1cc[n+](CC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1	ZINC000004714711	261062050	/nfs/dbraw/zinc/06/20/50/261062050.db2.gz	NSRQRKHYRJGBQW-BBWFWOEESA-N	1	0	290.427	3.287	40	30		CGEBRO
C=CCO[C@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21	ZINC000096241679	265345897	/nfs/dbraw/zinc/34/58/97/265345897.db2.gz	CSZXRNBIWSYJBD-HNNXBMFYSA-N	1	0	261.340	3.094	40	30		CGEBRO
CC(=O)C[n+]1cccc(C)c1Sc1ccccc1	ZINC000001579134	368420301	/nfs/dbraw/zinc/42/03/01/368420301.db2.gz	GLCDZVREXBTQSK-UHFFFAOYSA-N	1	0	258.366	3.023	40	30		CGEBRO
Cc1cc[n+](CC(=O)O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1	ZINC000002592445	368469252	/nfs/dbraw/zinc/46/92/52/368469252.db2.gz	KORRGCAWCXHUDW-RKVPGOIHSA-N	1	0	288.411	3.041	40	30		CGEBRO
N#CC(c1ccccc1)(c1ccccc1)[C@H]1CC[NH2+]C1	ZINC000034111388	368972929	/nfs/dbraw/zinc/97/29/29/368972929.db2.gz	AQQVYYRHEMSRRM-KRWDZBQOSA-N	1	0	262.356	3.106	40	30		CGEBRO
C=CC[N@H+]1[C@H](c2ccccc2)C[C@@H]2C(=O)CCC[C@@H]21	ZINC000095951342	370201586	/nfs/dbraw/zinc/20/15/86/370201586.db2.gz	VIDVKWNMISGMNF-JYJNAYRXSA-N	1	0	255.361	3.357	40	30		CGEBRO
Cc1cc[n+](CC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1	ZINC000245231999	376801309	/nfs/dbraw/zinc/80/13/09/376801309.db2.gz	NSRQRKHYRJGBQW-IXDOHACOSA-N	1	0	290.427	3.287	40	30		CGEBRO
C=CCOc1ccc(C[NH2+]CCCOCC)cc1OCC	ZINC000006536826	170211372	/nfs/dbraw/zinc/21/13/72/170211372.db2.gz	BQAJGWBDKHYXOY-UHFFFAOYSA-N	1	0	293.407	3.166	40	30		CGEBRO
N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[NH2+]C1	ZINC000022005687	171348527	/nfs/dbraw/zinc/34/85/27/171348527.db2.gz	AQQVYYRHEMSRRM-QGZVFWFLSA-N	1	0	262.356	3.106	40	30		CGEBRO
C[NH+](C)CCS/C(=N/c1ccccc1)n1cccc1	ZINC000001635201	368425447	/nfs/dbraw/zinc/42/54/47/368425447.db2.gz	CMWKHVOKWXCYMG-FOCLMDBBSA-N	1	0	273.405	3.319	40	30		CGEBRO
C[N+](C)=C1OCCC1(c1ccccc1)c1ccccc1	ZINC000002389343	368454902	/nfs/dbraw/zinc/45/49/02/368454902.db2.gz	LFTJLBZHKDXXBN-UHFFFAOYSA-N	1	0	266.364	3.064	40	30		CGEBRO
O=C(/C=C/[n+]1ccccc1)c1ccc(Br)cc1	ZINC000004276980	368541162	/nfs/dbraw/zinc/54/11/62/368541162.db2.gz	NMKMEPAZBFIABO-DHZHZOJOSA-N	1	0	289.152	3.090	40	30		CGEBRO
CC(c1cccs1)[N+](=O)[C@H](C)C(=NO)c1ccccc1	ZINC000013098304	368641945	/nfs/dbraw/zinc/64/19/45/368641945.db2.gz	FWHATFQLFJSAGY-JILMZEEBSA-N	1	0	288.372	3.334	40	30		CGEBRO
CC[NH+](CC)CCOc1ccc(/C=C(\C)C(C)=O)cc1	ZINC000017299267	368729981	/nfs/dbraw/zinc/72/99/81/368729981.db2.gz	YYSGQQCXHLRHLX-BUHFOSPRSA-N	1	0	275.392	3.400	40	30		CGEBRO
N#[N+]CC(=O)CCCCCCCCC(=O)C=NN	ZINC000104128725	370338603	/nfs/dbraw/zinc/33/86/03/370338603.db2.gz	OOBTWZGVUBGQNY-UHFFFAOYSA-N	1	0	253.326	3.129	40	30		CGEBRO
O=C(C[n+]1ccccc1Cl)c1ccc(Cl)cc1	ZINC000001665232	368427973	/nfs/dbraw/zinc/42/79/73/368427973.db2.gz	LOZDVNCFSVTPRT-UHFFFAOYSA-N	1	0	267.135	3.164	40	30		CGEBRO
Cc1ccc(C(=O)/C=C/[n+]2ccc(N3CCCC3)cc2)cc1	ZINC000004280683	368540405	/nfs/dbraw/zinc/54/04/05/368540405.db2.gz	KUMLFNQOBZQILS-XNTDXEJSSA-N	1	0	293.390	3.236	40	30		CGEBRO
C=CCn1c(C)[nH+]c(-c2cccc(Br)c2)c1N	ZINC000100761348	370283252	/nfs/dbraw/zinc/28/32/52/370283252.db2.gz	MQCCMCQABIOUFT-UHFFFAOYSA-N	1	0	292.180	3.389	40	30		CGEBRO
C[NH+](C)CCS/C(=N/c1ccccc1)N1CCCCC1	ZINC000001635202	391912785	/nfs/dbraw/zinc/91/27/85/391912785.db2.gz	YOJWDMOEQCMKRU-WUKNDPDISA-N	1	0	291.464	3.455	40	30		CGEBRO
CN(C)C=CC(c1ccc(Cl)c(Cl)c1)=[N+](C)C	ZINC000006637472	170220848	/nfs/dbraw/zinc/22/08/48/170220848.db2.gz	GFFXRPHSXVQHRK-UHFFFAOYSA-N	1	0	272.199	3.239	40	30		CGEBRO
C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccs1)C2	ZINC000096048186	185073573	/nfs/dbraw/zinc/07/35/73/185073573.db2.gz	ZPDXWRGBFHNNDK-ZBFHGGJFSA-N	1	0	293.432	3.074	40	30		CGEBRO
O/N=C1\CCC=CCC[C@@H]1[NH+]1CCN(c2ccccc2)CC1	ZINC000018091263	368739513	/nfs/dbraw/zinc/73/95/13/368739513.db2.gz	CZTYZCMXEBAZAE-YUOCMKQHSA-N	1	0	299.418	3.138	40	30		CGEBRO
CN(C)c1ccc(/C=[NH+]/N(C)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408895254	380022318	/nfs/dbraw/zinc/02/23/18/380022318.db2.gz	UNCBJZNQMMICAF-SFQUDFHCSA-N	1	0	298.346	3.131	40	30		CGEBRO
C=CCO[C@@H]1CC2(CC[NH2+]CC2)c2cc(C)ccc21	ZINC000096241744	392246701	/nfs/dbraw/zinc/24/67/01/392246701.db2.gz	UBMHGFYXPQULSA-MRXNPFEDSA-N	1	0	257.377	3.264	40	30		CGEBRO
CC[S@@+](C)CCOC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C	ZINC000008614528	170343098	/nfs/dbraw/zinc/34/30/98/170343098.db2.gz	SASXFTPTKAVVSQ-LXIYXOSZSA-N	1	0	271.446	3.036	40	30		CGEBRO
Cc1ccc[n+](CC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c1	ZINC000003121884	524102587	/nfs/dbraw/zinc/10/25/87/524102587.db2.gz	IAQGDUKTKSORTG-OIISXLGYSA-N	1	0	290.427	3.287	40	30		CGEBRO
CC(C)C[C@H](C[NH+](C)C)C(=O)/C=C\c1ccccc1	ZINC000017175183	368729894	/nfs/dbraw/zinc/72/98/94/368729894.db2.gz	JJRXVKWWTTYBNO-BLIJAFNYSA-N	1	0	259.393	3.493	40	30		CGEBRO
O/N=C1/[C@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)[C@@H]2CC[C@H]1C2	ZINC000035193917	391975936	/nfs/dbraw/zinc/97/59/36/391975936.db2.gz	DUVHOKXICRQEBV-ZKQYQWJJSA-N	1	0	262.397	3.270	40	30		CGEBRO
C[NH2+]Cc1ccccc1Sc1ccc(C#N)cc1N	ZINC000039081729	174163042	/nfs/dbraw/zinc/16/30/42/174163042.db2.gz	ZIUUMKHZYUTZPC-UHFFFAOYSA-N	1	0	269.373	3.011	40	30		CGEBRO
O/N=C1/[C@H]([NH+]2CCC(c3ccccc3)CC2)[C@@H]2CC[C@H]1C2	ZINC000005946766	368565951	/nfs/dbraw/zinc/56/59/51/368565951.db2.gz	NLLKQTMVRNKBEZ-RCMTURFPSA-N	1	0	284.403	3.495	40	30		CGEBRO
CCCCCCCCCC[NH+](C[C@@H](C)O)C[C@@H](C)O	ZINC000100076339	370271531	/nfs/dbraw/zinc/27/15/31/370271531.db2.gz	BVNRDHVWLFPWFU-HZPDHXFCSA-N	1	0	273.461	3.191	40	30		CGEBRO
C=CCn1c(C)[nH+]c(-c2ccccc2Br)c1N	ZINC000100761336	370283339	/nfs/dbraw/zinc/28/33/39/370283339.db2.gz	GMHPMIRNHZHALN-UHFFFAOYSA-N	1	0	292.180	3.389	40	30		CGEBRO
C/C(=N\O)C(C)(C)[NH+]1CCC(c2ccccc2)CC1	ZINC000005612718	170119822	/nfs/dbraw/zinc/11/98/22/170119822.db2.gz	FEMFYXZIQGIFPO-GHRIWEEISA-N	1	0	260.381	3.495	40	30		CGEBRO
CC[NH+](CC)CCOc1ccc(/C=C(/C)C(C)=O)cc1	ZINC000001668183	368428411	/nfs/dbraw/zinc/42/84/11/368428411.db2.gz	YYSGQQCXHLRHLX-YPKPFQOOSA-N	1	0	275.392	3.400	40	30		CGEBRO
N#C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1	ZINC000026895109	368865273	/nfs/dbraw/zinc/86/52/73/368865273.db2.gz	LHKVKWYSDARUCV-ZWKOTPCHSA-N	1	0	262.356	3.426	40	30		CGEBRO
CC(C)Oc1ccc(C[NH2+]Cc2ccc(C#N)cc2)cn1	ZINC000048714836	392011115	/nfs/dbraw/zinc/01/11/15/392011115.db2.gz	RTXOITMDFRWELO-UHFFFAOYSA-N	1	0	281.359	3.030	40	30		CGEBRO
CC[NH+](CC)CC[C@](C#N)(CC[NH+](C)C)c1ccccc1	ZINC000006382369	397603130	/nfs/dbraw/zinc/60/31/30/397603130.db2.gz	RQBPUHLXHYGXAG-SFHVURJKSA-N	1	0	287.451	3.132	40	30		CGEBRO
C[N+](C)=C/C=C(\Cl)c1ccc(Br)s1	ZINC000016248914	170691854	/nfs/dbraw/zinc/69/18/54/170691854.db2.gz	GZAMNKYDKGSFMI-ALCCZGGFSA-N	1	0	279.610	3.433	40	30		CGEBRO
COc1ccc2c(ccc[n+]2CC(=O)c2cccs2)c1	ZINC000001669537	525612984	/nfs/dbraw/zinc/61/29/84/525612984.db2.gz	VPULXUPEWPBQSC-UHFFFAOYSA-N	1	0	284.360	3.080	40	30		CGEBRO
COc1ccc(C(=O)C[n+]2cc3ccccc3cc2C)cc1	ZINC000001668710	368428648	/nfs/dbraw/zinc/42/86/48/368428648.db2.gz	GPPGMEKCYCLXDB-UHFFFAOYSA-N	1	0	292.358	3.327	40	30		CGEBRO
C[C@H](C[NH+](C)C)C(=O)/C=C\c1ccc(Cl)cc1	ZINC000017142736	368728908	/nfs/dbraw/zinc/72/89/08/368728908.db2.gz	FHFGLPJJZGSQLF-DHHDDZJSSA-N	1	0	251.757	3.120	40	30		CGEBRO
Nc1cc[n+](CC(=O)c2ccc(-c3ccccc3)cc2)cc1	ZINC000104170396	370338316	/nfs/dbraw/zinc/33/83/16/370338316.db2.gz	YGECTRZNKKYOAY-UHFFFAOYSA-O	1	0	289.358	3.106	40	30		CGEBRO
C=CCN(CC=C)/C(CC(=O)C(C)(C)C)=[NH+]/CC	ZINC000104200931	370340217	/nfs/dbraw/zinc/34/02/17/370340217.db2.gz	QEPOXRJNKOTUSI-JQIJEIRASA-N	1	0	250.386	3.084	40	30		CGEBRO
C[N+](C)(C)[C@H](C(=O)Nc1ccccc1)c1ccccc1	ZINC000001713499	169748665	/nfs/dbraw/zinc/74/86/65/169748665.db2.gz	SVBHTQMOQPVDLX-INIZCTEOSA-O	1	0	269.368	3.073	40	30		CGEBRO
[NH2+]=C(Cc1ccccc1)NOC(=O)c1ccccc1Cl	ZINC000226102620	130819777	/nfs/dbraw/zinc/81/97/77/130819777.db2.gz	ARHFBDJSCGLTMI-UHFFFAOYSA-N	1	0	288.734	3.012	40	30		CGEBRO
C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccsc1)C2	ZINC000096048192	185072394	/nfs/dbraw/zinc/07/23/94/185072394.db2.gz	IXVCEQIXGZTTJV-HZPDHXFCSA-N	1	0	293.432	3.074	40	30		CGEBRO
CN(C)c1ccc(/C=C2\CCC[C@H](C[NH+](C)C)C2=O)cc1	ZINC000005741844	282133497	/nfs/dbraw/zinc/13/34/97/282133497.db2.gz	MUQYZRDHASIRJD-ASNKMWSDSA-N	1	0	286.419	3.067	40	30		CGEBRO
CC(C)C[C@@H](C[NH+](C)C)C(=O)/C=C/c1ccccc1	ZINC000001609890	368423702	/nfs/dbraw/zinc/42/37/02/368423702.db2.gz	JJRXVKWWTTYBNO-OFAQMXQXSA-N	1	0	259.393	3.493	40	30		CGEBRO
N#C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1	ZINC000033689896	368968142	/nfs/dbraw/zinc/96/81/42/368968142.db2.gz	LHKVKWYSDARUCV-MSOLQXFVSA-N	1	0	262.356	3.426	40	30		CGEBRO
C=CCn1c(C)[nH+]c(-c2ccc(Br)cc2)c1N	ZINC000100761357	370283365	/nfs/dbraw/zinc/28/33/65/370283365.db2.gz	ZPPQFFILJPAOMV-UHFFFAOYSA-N	1	0	292.180	3.389	40	30		CGEBRO
C=CCOc1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1	ZINC000022075907	391944718	/nfs/dbraw/zinc/94/47/18/391944718.db2.gz	SCWQMYJHACSPOT-SFHVURJKSA-N	1	0	283.371	3.075	40	30		CGEBRO
C=CC[N@H+]1CCC[C@]12CCCN(C(=O)c1ccccc1C)C2	ZINC000096214715	392247026	/nfs/dbraw/zinc/24/70/26/392247026.db2.gz	RNOJTMHDBXARGS-IBGZPJMESA-N	1	0	298.430	3.252	40	30		CGEBRO
C[N+](C)=C/C=C(\Cl)c1ccc(Br)cc1	ZINC000002557621	368465039	/nfs/dbraw/zinc/46/50/39/368465039.db2.gz	VTBMCSFQCUTYPV-XFFZJAGNSA-N	1	0	273.581	3.372	40	30		CGEBRO
C=CC[n+]1ccccc1/C=C\c1ccc(N(C)C)cc1	ZINC000004830513	170025731	/nfs/dbraw/zinc/02/57/31/170025731.db2.gz	HAXQHQICQBGYFF-UHFFFAOYSA-N	1	0	265.380	3.397	40	30		CGEBRO
C=C1[NH+]2CCC(CC2)[C@]1(OC(=O)CC)c1ccccc1	ZINC000005063920	170062887	/nfs/dbraw/zinc/06/28/87/170062887.db2.gz	UKKZHXCNPLJCHP-QGZVFWFLSA-N	1	0	271.360	3.074	40	30		CGEBRO
O=C(c1ccccc1)[C@@H](c1ccccc1)[n+]1ccccc1	ZINC000006582057	170215847	/nfs/dbraw/zinc/21/58/47/170215847.db2.gz	UTXNLUIJZHOTEF-GOSISDBHSA-N	1	0	274.343	3.446	40	30		CGEBRO
C=CC[NH2+]Cc1ccc(-c2ccc(C(=O)OCC)cc2)o1	ZINC000007520143	170287852	/nfs/dbraw/zinc/28/78/52/170287852.db2.gz	WHHBBUJOOYVZHE-UHFFFAOYSA-N	1	0	285.343	3.399	40	30		CGEBRO
N#CC(c1ccccc1)(c1ccccc1)C1CC[NH2+]C1	ZINC001560408698	938257448	/nfs/dbraw/zinc/25/74/48/938257448.db2.gz	VYIKLGJCHGVFAM-UHFFFAOYSA-N	1	0	261.348	3.064	40	30		CGEBRO
C[C@@H]1C[C@@H](C)CC[C@H]1COC(=O)C[N+]1(C)CCCCC1	ZINC000004184549	230368625	/nfs/dbraw/zinc/36/86/25/230368625.db2.gz	DPGGKDIWMDCOAY-XHSDSOJGSA-N	1	0	282.448	3.232	40	30		CGEBRO
Cc1cccc(C)c1[N+](=O)Cc1cccc([N+](=O)[O-])c1	ZINC000104130345	185901988	/nfs/dbraw/zinc/90/19/88/185901988.db2.gz	HTEAMOCTJCJJPH-UHFFFAOYSA-N	1	0	270.288	3.473	40	30		CGEBRO
O=C1c2ccccc2CC[C@H]1[n+]1ccc2ccccc2c1	ZINC000004777664	285024257	/nfs/dbraw/zinc/02/42/57/285024257.db2.gz	JSZHWTIKHGLJBU-GOSISDBHSA-N	1	0	274.343	3.498	40	30		CGEBRO
O=C(C[n+]1ccc2ccccc2c1)c1cccs1	ZINC000001669534	391913730	/nfs/dbraw/zinc/91/37/30/391913730.db2.gz	YECUYYNKGDNOOM-UHFFFAOYSA-N	1	0	254.334	3.072	40	30		CGEBRO
Oc1ccc(/C=N/C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1	ZINC000005923842	170156113	/nfs/dbraw/zinc/15/61/13/170156113.db2.gz	CQQPHVVCNFQDKX-HOKSHQMQSA-N	1	0	272.392	3.076	40	30		CGEBRO
CC[NH+](CC)C(C)(C)C(=O)/C=C\c1ccc(OC)cc1	ZINC000017174663	279086325	/nfs/dbraw/zinc/08/63/25/279086325.db2.gz	HWLBGGQBXUJSEJ-RAXLEYEMSA-N	1	0	275.392	3.398	40	30		CGEBRO
COc1ccc(NN=C(CC[NH+](C)C)c2ccccc2)cc1	ZINC000006371930	524381579	/nfs/dbraw/zinc/38/15/79/524381579.db2.gz	NVVCXRYJHHOTJE-ZZEZOPTASA-N	1	0	297.402	3.463	40	30		CGEBRO
C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccs1)C2	ZINC000096048184	185073010	/nfs/dbraw/zinc/07/30/10/185073010.db2.gz	ZPDXWRGBFHNNDK-GDBMZVCRSA-N	1	0	293.432	3.074	40	30		CGEBRO
CC(=O)C[n+]1cc(C)ccc1Sc1ccccc1	ZINC000001653679	368427913	/nfs/dbraw/zinc/42/79/13/368427913.db2.gz	PYVWZPBHLQACAG-UHFFFAOYSA-N	1	0	258.366	3.023	40	30		CGEBRO
Cc1csc[n+]1CC(=O)c1ccc2ccccc2c1	ZINC000001667268	368428790	/nfs/dbraw/zinc/42/87/90/368428790.db2.gz	ARPCLYKIFVQXKF-UHFFFAOYSA-N	1	0	268.361	3.380	40	30		CGEBRO
COc1ccc2c(c1)c(NCCCCCC#N)cc(C)[n+]2C	ZINC000001699926	368433193	/nfs/dbraw/zinc/43/31/93/368433193.db2.gz	VYITXJAKZVWPRF-UHFFFAOYSA-O	1	0	298.410	3.477	40	30		CGEBRO
C=CCOC(=O)C1CCC([NH2+]C2CCCCC2)CC1	ZINC000064219635	369652048	/nfs/dbraw/zinc/65/20/48/369652048.db2.gz	CJVPUXUESDEHQJ-UHFFFAOYSA-N	1	0	265.397	3.197	40	30		CGEBRO
C=CCOC[C@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccsc2)O1	ZINC000096186679	370207256	/nfs/dbraw/zinc/20/72/56/370207256.db2.gz	PIIWGSUJZQBISD-PMPSAXMXSA-N	1	0	293.432	3.073	40	30		CGEBRO
CCCCCCC[NH2+]Cc1cnc(NC(C)C)nc1	ZINC000103596415	392276528	/nfs/dbraw/zinc/27/65/28/392276528.db2.gz	YXTGNEXNRPNMTO-UHFFFAOYSA-N	1	0	264.417	3.357	40	30		CGEBRO
C[NH+](C)CC[C@](C#N)(c1ccc(Cl)cc1)c1ccccn1	ZINC000005140460	170070559	/nfs/dbraw/zinc/07/05/59/170070559.db2.gz	XWFSLFHFPQWKNV-KRWDZBQOSA-N	1	0	299.805	3.496	40	30	in-vitro	CGEBRO
C[NH+]1CCC(N=Nc2nc(-c3ccccc3)cs2)CC1	ZINC000005675010	170126925	/nfs/dbraw/zinc/12/69/25/170126925.db2.gz	FAGPASGJAJUUAV-UHFFFAOYSA-N	1	0	286.404	3.304	40	30		CGEBRO
N#Cc1ccc[n+](Cc2c(Cl)cccc2Cl)c1	ZINC000001557887	283201296	/nfs/dbraw/zinc/20/12/96/283201296.db2.gz	DGSOFYLQWGBNOZ-UHFFFAOYSA-N	1	0	264.135	3.201	40	30		CGEBRO
O/N=C1\[C@H]([N@@H+]2CC[C@@H]3CCCC[C@H]3C2)[C@@H]2CC[C@H]1C2	ZINC000100993727	230392278	/nfs/dbraw/zinc/39/22/78/230392278.db2.gz	GKXBUTVDRHQGAG-RUGDNOLFSA-N	1	0	262.397	3.127	40	30		CGEBRO
C=CC[N@@H+]1CCC[C@]12CCCN(C(=O)c1ccsc1)C2	ZINC000096214864	370209192	/nfs/dbraw/zinc/20/91/92/370209192.db2.gz	DEJFGJZZRBZAKM-INIZCTEOSA-N	1	0	290.432	3.005	40	30		CGEBRO
C=CC12CC[NH+](CC1)[C@@H]([C@@H](O)c1ccnc3ccccc31)C2	ZINC000255188540	377740541	/nfs/dbraw/zinc/74/05/41/377740541.db2.gz	KKAXKCAVAOUING-MSOLQXFVSA-N	1	0	294.398	3.309	40	30		CGEBRO
CCCCCCC[NH2+]Cc1cnc(NCCC)nc1	ZINC000103596532	392276771	/nfs/dbraw/zinc/27/67/71/392276771.db2.gz	LYYPWFJWCJTZPW-UHFFFAOYSA-N	1	0	264.417	3.359	40	30		CGEBRO
O=C(C[n+]1ccc2ccccc2c1)c1c(F)cccc1F	ZINC000002557705	169808215	/nfs/dbraw/zinc/80/82/15/169808215.db2.gz	LZUKZOYMURACLF-UHFFFAOYSA-N	1	0	284.285	3.288	40	30		CGEBRO
CNC(=[NH2+])NN=C(C)c1ccc2c(ccc3ccccc32)c1	ZINC000005640492	170123119	/nfs/dbraw/zinc/12/31/19/170123119.db2.gz	PXQRKCZCEKGLED-MTJSOVHGSA-N	1	0	290.370	3.461	40	30		CGEBRO
C=CC[C@H](C)[C@]12CC[NH2+][C@H](Cc3ccc(O)cc31)[C@@H]2C	ZINC000005941737	170159635	/nfs/dbraw/zinc/15/96/35/170159635.db2.gz	FFZIDAYPZLTCSZ-UHIXZJCNSA-N	1	0	271.404	3.396	40	30		CGEBRO
C[C@@H]1C(=O)C(c2ccccc2)(c2ccccc2)CC[N+]1(C)C	ZINC000005698932	278430289	/nfs/dbraw/zinc/43/02/89/278430289.db2.gz	GXOJULUVZJZSDL-MRXNPFEDSA-N	1	0	294.418	3.410	40	30		CGEBRO
C=CCOc1ccc(C[NH2+]Cc2ccccn2)cc1OCC	ZINC000006870255	519034275	/nfs/dbraw/zinc/03/42/75/519034275.db2.gz	SBZGAHAWPQZDJC-UHFFFAOYSA-N	1	0	298.386	3.335	40	30		CGEBRO
CC[N+](C)(CC)CC(=O)OC[C@@H]1[C@H](C)CC(C)=C[C@@H]1C	ZINC000004318436	523633225	/nfs/dbraw/zinc/63/32/25/523633225.db2.gz	XPZFSIWXSZKPNH-XHSDSOJGSA-N	1	0	282.448	3.254	40	30		CGEBRO
C=CCN1CC[N@H+](Cc2cccs2)Cc2cccnc21	ZINC000096060947	185082259	/nfs/dbraw/zinc/08/22/59/185082259.db2.gz	RHYJLROZVFUQJL-UHFFFAOYSA-N	1	0	285.416	3.151	40	30		CGEBRO
C[C@H](C[NH+](C)C)C(=O)/C=C/c1ccc(Cl)cc1	ZINC000001590713	368421941	/nfs/dbraw/zinc/42/19/41/368421941.db2.gz	FHFGLPJJZGSQLF-OALRPVAKSA-N	1	0	251.757	3.120	40	30		CGEBRO
CC[S@+](C)CCOC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C	ZINC000004682986	368557405	/nfs/dbraw/zinc/55/74/05/368557405.db2.gz	SASXFTPTKAVVSQ-ZJNRKIDTSA-N	1	0	271.446	3.036	40	30		CGEBRO
C=CC[NH+]=C(NCC[C@@H]1CNc2ccccc21)SCC	ZINC000016693614	368719869	/nfs/dbraw/zinc/71/98/69/368719869.db2.gz	TTYBWKWKPVDYRA-CYBMUJFWSA-N	1	0	289.448	3.471	40	30		CGEBRO
CCCCCCC[NH2+]Cc1cnc(N2CCCC2)nc1	ZINC000103596703	256702091	/nfs/dbraw/zinc/70/20/91/256702091.db2.gz	GMUDFJAHYRIMGO-UHFFFAOYSA-N	1	0	276.428	3.137	40	30		CGEBRO
C#CCOc1ccc(/C=C/c2cc[n+](C)cc2)cc1OCC	ZINC000005002291	170052969	/nfs/dbraw/zinc/05/29/69/170052969.db2.gz	ZYDUYGQQGSODDM-VOTSOKGWSA-N	1	0	294.374	3.092	40	30		CGEBRO
O/N=C1\[C@H]([N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)[C@@H]2CC[C@H]1C2	ZINC000100993726	230392290	/nfs/dbraw/zinc/39/22/90/230392290.db2.gz	GKXBUTVDRHQGAG-CZYFUEPGSA-N	1	0	262.397	3.127	40	30		CGEBRO
COc1ccc(/C=C2/CC[C@@](C)(C[NH+](C)C)C2=O)cc1	ZINC000001625903	368425333	/nfs/dbraw/zinc/42/53/33/368425333.db2.gz	WATIVQPOQIUXNJ-IFCKCIONSA-N	1	0	273.376	3.009	40	30		CGEBRO
Cc1ccc(C#CC[N+](C)(C)CC#Cc2ccccc2)cc1	ZINC000003176005	368494932	/nfs/dbraw/zinc/49/49/32/368494932.db2.gz	DWXIAYSUYCJQSF-UHFFFAOYSA-N	1	0	288.414	3.475	40	30		CGEBRO
O=C(C[n+]1ccccc1)N(c1ccccc1)c1ccccc1	ZINC000004129290	368532341	/nfs/dbraw/zinc/53/23/41/368532341.db2.gz	WABOOOSCRIBXBT-UHFFFAOYSA-N	1	0	289.358	3.339	40	30		CGEBRO
Cc1ccc[n+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)c1	ZINC000004129529	368532360	/nfs/dbraw/zinc/53/23/60/368532360.db2.gz	MGLRQEHOVAZWMY-OAHLLOKOSA-O	1	0	269.368	3.099	40	30		CGEBRO
CC(C)=CCCC(C)=CCCC(C)N=NC(N)=[NH2+]	ZINC000017376384	368732308	/nfs/dbraw/zinc/73/23/08/368732308.db2.gz	XJAJMKSELBJGPB-XUSIOCRTSA-N	1	0	250.390	3.318	40	30		CGEBRO
CCCCCCC[NH2+]Cc1cnn(CC(F)F)c1	ZINC000256051785	377794466	/nfs/dbraw/zinc/79/44/66/377794466.db2.gz	KMLUEYFROOAEMN-UHFFFAOYSA-N	1	0	259.344	3.208	40	30		CGEBRO
C[C@H]1C(=O)C(c2ccccc2)(c2ccccc2)CC[N+]1(C)C	ZINC000001593249	279624485	/nfs/dbraw/zinc/62/44/85/279624485.db2.gz	GXOJULUVZJZSDL-INIZCTEOSA-N	1	0	294.418	3.410	40	30		CGEBRO
CC[N+](C)(CC)CC(=O)OC[C@H]1[C@@H](C)C=C(C)C[C@@H]1C	ZINC000004318442	523633950	/nfs/dbraw/zinc/63/39/50/523633950.db2.gz	XPZFSIWXSZKPNH-JYJNAYRXSA-N	1	0	282.448	3.254	40	30		CGEBRO
O/N=C1/[C@H]([NH2+]C2CCCCCCC2)[C@@H]2CC[C@H]1C2	ZINC000005374921	230369377	/nfs/dbraw/zinc/36/93/77/230369377.db2.gz	WVWXOQWPYUOIGC-ZMPBJPGGSA-N	1	0	250.386	3.318	40	30		CGEBRO
C=CCOC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1	ZINC000096056385	185077857	/nfs/dbraw/zinc/07/78/57/185077857.db2.gz	PIIWGSUJZQBISD-BZUAXINKSA-N	1	0	293.432	3.073	40	30		CGEBRO
C[NH+](C)CCS/C(=N/c1ccccc1)N1C=COC=C1	ZINC000001635203	368424896	/nfs/dbraw/zinc/42/48/96/368424896.db2.gz	KBKUZTBAYJVLAP-FOCLMDBBSA-N	1	0	289.404	3.244	40	30		CGEBRO
COc1ccc(/C=C2\CC[C@@](C)(C[NH+](C)C)C2=O)cc1	ZINC000017198809	368730323	/nfs/dbraw/zinc/73/03/23/368730323.db2.gz	WATIVQPOQIUXNJ-WKOYGUFESA-N	1	0	273.376	3.009	40	30		CGEBRO
CN(C)c1ccc(/C=C2/CCC[C@@H](C[NH+](C)C)C2=O)cc1	ZINC000001643491	391913577	/nfs/dbraw/zinc/91/35/77/391913577.db2.gz	MUQYZRDHASIRJD-IRVMHKCDSA-N	1	0	286.419	3.067	40	30		CGEBRO
[NH2+]=C(Nc1ccccc1)SCC(=O)c1ccccc1	ZINC000068583910	392167099	/nfs/dbraw/zinc/16/70/99/392167099.db2.gz	HIXJYZFXQGIMGA-UHFFFAOYSA-N	1	0	270.357	3.249	40	30		CGEBRO
C[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(N)C#N	ZINC000073335338	392213367	/nfs/dbraw/zinc/21/33/67/392213367.db2.gz	HUSDDKCTLLCYKF-FCLVOEFKSA-N	1	0	291.398	3.319	40	30		CGEBRO
CC(C)C[C@H](C[NH+](C)C)C(=O)/C=C/c1ccccc1	ZINC000001609892	368423982	/nfs/dbraw/zinc/42/39/82/368423982.db2.gz	JJRXVKWWTTYBNO-SIFUEBAJSA-N	1	0	259.393	3.493	40	30		CGEBRO
C[C@]12CC3CC(CNC(=[NH2+])CS)(C1)C[C@@](C)(C3)C2	ZINC000005007979	368559629	/nfs/dbraw/zinc/55/96/29/368559629.db2.gz	FYHWBKXCPOZIBZ-LCBVDAKKSA-N	1	0	266.454	3.480	40	30		CGEBRO
C[C@]1(/C=N/OCc2ccccc2)CC[N@@H+]2CCCC[C@H]21	ZINC000254286908	377704129	/nfs/dbraw/zinc/70/41/29/377704129.db2.gz	SYMYVFOMDOHSOB-NIIBVUOVSA-N	1	0	272.392	3.454	40	30		CGEBRO
C=CC[N@H+]1C[C@@H](C)[C@@H](OC(=O)c2ccccc2)C[C@H]1C	ZINC000005369914	170090184	/nfs/dbraw/zinc/09/01/84/170090184.db2.gz	GCJXHLAUPMDQPQ-FMKPAKJESA-N	1	0	273.376	3.128	40	30		CGEBRO
C=CC[N@H+]1C[C@@H](C)[C@H](OC(=O)c2ccccc2)C[C@H]1C	ZINC000005369970	170090229	/nfs/dbraw/zinc/09/02/29/170090229.db2.gz	GCJXHLAUPMDQPQ-IIAWOOMASA-N	1	0	273.376	3.128	40	30		CGEBRO
CC[N@H+](Cc1ccccc1)[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000016681408	528831543	/nfs/dbraw/zinc/83/15/43/528831543.db2.gz	LFTHKQZHIHKPEK-CCKWDPJVSA-N	1	0	258.365	3.137	40	30		CGEBRO
CN(C)c1ccc(/C=C2/CCC[C@H](C[NH+](C)C)C2=O)cc1	ZINC000001643489	282133394	/nfs/dbraw/zinc/13/33/94/282133394.db2.gz	MUQYZRDHASIRJD-RTYFKUQISA-N	1	0	286.419	3.067	40	30		CGEBRO
Cc1cc[n+](CC(=O)c2ccc(Cl)cc2)c(C)c1	ZINC000001608958	368423491	/nfs/dbraw/zinc/42/34/91/368423491.db2.gz	BJASCDNBLGQBHI-UHFFFAOYSA-N	1	0	260.744	3.127	40	30		CGEBRO
C#CCOc1ccc(/C=C/C2=CC[N@H+](C)CC2)cc1OCC	ZINC000012154298	397604236	/nfs/dbraw/zinc/60/42/36/397604236.db2.gz	YDGBJWLQRJHSLU-VOTSOKGWSA-N	1	0	297.398	3.372	40	30		CGEBRO
COc1ccc2[nH+]c(C)cc(NN=Cc3cccnc3)c2c1	ZINC000005552531	170112284	/nfs/dbraw/zinc/11/22/84/170112284.db2.gz	ZXVHYKHTAQEISS-YBFXNURJSA-N	1	0	292.342	3.393	40	30		CGEBRO
O/N=C1/CCC[C@H]1[NH+]1CCC(c2ccccc2)CC1	ZINC000100977217	185731391	/nfs/dbraw/zinc/73/13/91/185731391.db2.gz	ILKKIIUYDWEWJI-CFBLSMTOSA-N	1	0	258.365	3.249	40	30		CGEBRO
C=CCO[C@H]1CC[N@H+](Cc2ccoc2)[C@H]1Cc1cccnc1	ZINC000096200530	370207276	/nfs/dbraw/zinc/20/72/76/370207276.db2.gz	ACAPPZPELUNMLC-ROUUACIJSA-N	1	0	298.386	3.063	40	30		CGEBRO
Cc1cc(C)cc(C(=O)O/N=C2/C[C@H](C)[N@@H+](C)C[C@@H]2C)c1	ZINC000005361803	170089608	/nfs/dbraw/zinc/08/96/08/170089608.db2.gz	SZODBIJMCWIIGC-IAOFPLEJSA-N	1	0	288.391	3.176	40	30		CGEBRO
C[C@@H]1C[C@@H](C)CC[C@@H]1COC(=O)C[N+]1(C)CCCCC1	ZINC000004184542	230368739	/nfs/dbraw/zinc/36/87/39/230368739.db2.gz	DPGGKDIWMDCOAY-ARFHVFGLSA-N	1	0	282.448	3.232	40	30		CGEBRO
CCc1c(Br)cc(C#N)n1-c1cc[nH+]cc1	ZINC000225306409	189746520	/nfs/dbraw/zinc/74/65/20/189746520.db2.gz	ZRDVTLLHEWOTSY-UHFFFAOYSA-N	1	0	276.137	3.069	40	30		CGEBRO
CC(C)=CCCC(C)=CCCC(C)N=NC(N)=[NH2+]	ZINC000017376387	368732635	/nfs/dbraw/zinc/73/26/35/368732635.db2.gz	XJAJMKSELBJGPB-XTPUDKEYSA-N	1	0	250.390	3.318	40	30		CGEBRO
C=CC[N@H+]1CCC[C@@]12CCCN(Cc1csc(C)n1)C2	ZINC000096214851	370209599	/nfs/dbraw/zinc/20/95/99/370209599.db2.gz	BINIOJOJTXIIAK-MRXNPFEDSA-N	1	0	291.464	3.068	40	30		CGEBRO
C=C[C@]12CCCC[C@@H]1[C@@H]([NH2+]C)Cc1ccc(OC)c(O)c12	ZINC000005732926	277921079	/nfs/dbraw/zinc/92/10/79/277921079.db2.gz	ZOZMXYFBECUVFI-GLJUWKHASA-N	1	0	287.403	3.159	40	30		CGEBRO
O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1[NH+]1CCC(c2ccccc2)CC1	ZINC000005946769	368565529	/nfs/dbraw/zinc/56/55/29/368565529.db2.gz	NLLKQTMVRNKBEZ-MUSGTNMLSA-N	1	0	284.403	3.495	40	30		CGEBRO
C[C@@H](C[NH+](C)C)C(=O)/C=C\c1ccc(Cl)cc1	ZINC000017142735	368728254	/nfs/dbraw/zinc/72/82/54/368728254.db2.gz	FHFGLPJJZGSQLF-WDDYJBPVSA-N	1	0	251.757	3.120	40	30		CGEBRO
C=CC[NH2+]Cc1cc(OC)c(OCC=C)cc1Cl	ZINC000036612560	369023530	/nfs/dbraw/zinc/02/35/30/369023530.db2.gz	SHNGGDIDRFLOPI-UHFFFAOYSA-N	1	0	267.756	3.189	40	30		CGEBRO
C=CC[NH+]1CCC(C(=O)CC)(c2ccccc2)CC1	ZINC000001668936	391913620	/nfs/dbraw/zinc/91/36/20/391913620.db2.gz	DXIASZFMOKASBM-UHFFFAOYSA-N	1	0	257.377	3.185	40	30		CGEBRO
CCCC[NH+](CC#C[C@@](C)(CC)OCCO)CCCC	ZINC000005419490	170097134	/nfs/dbraw/zinc/09/71/34/170097134.db2.gz	MTGJTIDSIODFMW-QGZVFWFLSA-N	1	0	283.456	3.070	40	30		CGEBRO
COc1ccc(/C=C2\CCC[C@@H](C[NH+](C)C)C2=O)cc1	ZINC000006003743	170167009	/nfs/dbraw/zinc/16/70/09/170167009.db2.gz	BZZVSTIKPGXTCG-GOFCXVBSSA-N	1	0	273.376	3.009	40	30		CGEBRO
C#CC[N@@H+](C)Cc1ccc2c(c1-c1ccccc1)OCO2	ZINC000039128146	275380607	/nfs/dbraw/zinc/38/06/07/275380607.db2.gz	BSJPGJSBMQKNCJ-UHFFFAOYSA-N	1	0	279.339	3.147	40	30		CGEBRO
C[NH+](C)Cc1ccccc1Sc1ccc(C#N)cc1N	ZINC000013584123	368657997	/nfs/dbraw/zinc/65/79/97/368657997.db2.gz	UVWLEPXXYOYDGR-UHFFFAOYSA-N	1	0	283.400	3.353	40	30	in-vitro	CGEBRO
C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(N)C#N	ZINC000073335342	392213450	/nfs/dbraw/zinc/21/34/50/392213450.db2.gz	HUSDDKCTLLCYKF-QZHFEQFPSA-N	1	0	291.398	3.319	40	30		CGEBRO
C=CCO[C@@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21	ZINC000096241678	265345863	/nfs/dbraw/zinc/34/58/63/265345863.db2.gz	CSZXRNBIWSYJBD-OAHLLOKOSA-N	1	0	261.340	3.094	40	30		CGEBRO
C=CC12CC[NH+](CC1)[C@@H]([C@H](O)c1ccnc3ccccc31)C2	ZINC000255188542	534520248	/nfs/dbraw/zinc/52/02/48/534520248.db2.gz	KKAXKCAVAOUING-QZTJIDSGSA-N	1	0	294.398	3.309	40	30		CGEBRO
C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccs1)C2	ZINC000096048187	185073361	/nfs/dbraw/zinc/07/33/61/185073361.db2.gz	ZPDXWRGBFHNNDK-HOCLYGCPSA-N	1	0	293.432	3.074	40	30		CGEBRO
C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(C)cc1)C2	ZINC000096214723	370209230	/nfs/dbraw/zinc/20/92/30/370209230.db2.gz	NGVJQEPWXUQFJA-LJQANCHMSA-N	1	0	298.430	3.252	40	30		CGEBRO
CN(C)/C=[NH+]\c1c2ccccc2nc2c1CCCC2	ZINC000104307451	370342677	/nfs/dbraw/zinc/34/26/77/370342677.db2.gz	JJBUZCHGNWYIGM-BOPFTXTBSA-N	1	0	253.349	3.335	40	30		CGEBRO
CC[NH+](CC)CCO/N=C(/c1ccccc1)c1ccccn1	ZINC000002019333	391913164	/nfs/dbraw/zinc/91/31/64/391913164.db2.gz	LURHNZKIXLOLQK-ZZEZOPTASA-N	1	0	297.402	3.192	40	30		CGEBRO
C#CCOc1ccc(/C=C/c2cccc[n+]2C)cc1OCC	ZINC000005002337	170053483	/nfs/dbraw/zinc/05/34/83/170053483.db2.gz	JAHFWXCTBZWZMJ-PKNBQFBNSA-N	1	0	294.374	3.092	40	30		CGEBRO
CN(C)c1cc[n+](/C=C\C(=O)c2ccc(Cl)cc2)cc1	ZINC000005509179	170105898	/nfs/dbraw/zinc/10/58/98/170105898.db2.gz	NEKZKHXFJKUEFB-XFXZXTDPSA-N	1	0	287.770	3.047	40	30		CGEBRO
CC(C)COc1ccc(C2(C#N)CC[N+](C)(C)CC2)cc1	ZINC000000346354	368344140	/nfs/dbraw/zinc/34/41/40/368344140.db2.gz	MFIWMIIMROMGLW-UHFFFAOYSA-N	1	0	287.427	3.353	40	30		CGEBRO
Cc1[o+]c2ccccc2n1CC(=O)c1ccc(C)cc1	ZINC000001667197	368428712	/nfs/dbraw/zinc/42/87/12/368428712.db2.gz	KJHJQYMDJYUVGV-UHFFFAOYSA-N	1	0	266.320	3.220	40	30		CGEBRO
C=CCN1C(=O)CC[C@H]2[N@@H+](Cc3ccccc3)CCC[C@@]21C	ZINC000219773483	393002311	/nfs/dbraw/zinc/00/23/11/393002311.db2.gz	VLYPCRMWKIDXHX-MJGOQNOKSA-N	1	0	298.430	3.218	40	30		CGEBRO
C[N+](C)(C)[C@@H](C(=O)Nc1ccccc1)c1ccccc1	ZINC000006519635	170208841	/nfs/dbraw/zinc/20/88/41/170208841.db2.gz	SVBHTQMOQPVDLX-MRXNPFEDSA-O	1	0	269.368	3.073	40	30		CGEBRO
C=CC[N@H+]1[C@@H](c2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21	ZINC001547139776	938150888	/nfs/dbraw/zinc/15/08/88/938150888.db2.gz	JVXJFSAVWXRRBH-IXDOHACOSA-N	1	0	284.403	3.047	40	30		CGEBRO
Cc1ccc(O)c(C(=O)C[n+]2ccc3ccccc3c2)c1	ZINC000001666287	368427287	/nfs/dbraw/zinc/42/72/87/368427287.db2.gz	ACKQVOIZYILNTR-UHFFFAOYSA-O	1	0	278.331	3.024	40	30		CGEBRO
CC[N+]1(CC(=O)c2ccc(F)cc2)CCCCC1	ZINC000001666170	368428020	/nfs/dbraw/zinc/42/80/20/368428020.db2.gz	AMBJYELCTCCBSZ-UHFFFAOYSA-N	1	0	250.337	3.029	40	30		CGEBRO
C=CC[NH+]=C(NCC[C@H]1CNc2ccccc21)SCC	ZINC000016693615	368720137	/nfs/dbraw/zinc/72/01/37/368720137.db2.gz	TTYBWKWKPVDYRA-ZDUSSCGKSA-N	1	0	289.448	3.471	40	30		CGEBRO
CC[S+](CC)CC(=O)c1ccc(Br)cc1	ZINC000004769325	170014119	/nfs/dbraw/zinc/01/41/19/170014119.db2.gz	YWFZIKPEGBAXRI-UHFFFAOYSA-N	1	0	288.230	3.290	40	30		CGEBRO
CCCCCCCCCC[n+]1ccc(C(N)=O)cc1	ZINC000001726164	520025617	/nfs/dbraw/zinc/02/56/17/520025617.db2.gz	KBZHWFUXOUERSZ-UHFFFAOYSA-O	1	0	263.405	3.214	40	30		CGEBRO
CCCCCCC[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1	ZINC000001731650	368436005	/nfs/dbraw/zinc/43/60/05/368436005.db2.gz	WTBZBGHEOFRDCZ-AWEZNQCLSA-N	1	0	270.417	3.119	40	30		CGEBRO
C[C@]12C[C@H](CC(C)(C)C1)[N@@H+]([C@@H]1CCC/C1=N/O)C2	ZINC000100986895	370286470	/nfs/dbraw/zinc/28/64/70/370286470.db2.gz	JEUFIUHDRRQWNJ-QSEAAHCXSA-N	1	0	250.386	3.270	40	30		CGEBRO
CCN(CC[NH+](CC)CC)C(=S)Nc1ccccc1	ZINC000005807603	170141954	/nfs/dbraw/zinc/14/19/54/170141954.db2.gz	OHVVWDOEGLQKRM-UHFFFAOYSA-N	1	0	279.453	3.268	40	30		CGEBRO
C=CC[NH2+]Cc1cc(Cl)c(OCC)c(OCC)c1	ZINC000008253876	170327600	/nfs/dbraw/zinc/32/76/00/170327600.db2.gz	BIHZKIHEMLILGR-UHFFFAOYSA-N	1	0	269.772	3.413	40	30		CGEBRO
CN(C)c1ccc(/C=C2\CCC[C@@H](C[NH+](C)C)C2=O)cc1	ZINC000005549538	289189667	/nfs/dbraw/zinc/18/96/67/289189667.db2.gz	MUQYZRDHASIRJD-STTHAQSSSA-N	1	0	286.419	3.067	40	30		CGEBRO
O=C(C[n+]1ccnc2ccccc21)c1ccc(Cl)cc1	ZINC000001665250	368427892	/nfs/dbraw/zinc/42/78/92/368427892.db2.gz	KFUHNKBWEPFNAU-UHFFFAOYSA-N	1	0	283.738	3.059	40	30		CGEBRO
CCCCCCCCCC[N@H+](C)CCOCCO	ZINC000100070483	370271208	/nfs/dbraw/zinc/27/12/08/370271208.db2.gz	IAJKZMAKPSLINA-UHFFFAOYSA-N	1	0	259.434	3.068	40	30		CGEBRO
CNC(=[NH2+])NN=C(C)c1ccc2c(ccc3ccccc32)c1	ZINC000017110151	170725968	/nfs/dbraw/zinc/72/59/68/170725968.db2.gz	PXQRKCZCEKGLED-CIAFOILYSA-N	1	0	290.370	3.251	40	30		CGEBRO
Cc1cc[n+](CC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1	ZINC000004714710	261062079	/nfs/dbraw/zinc/06/20/79/261062079.db2.gz	NSRQRKHYRJGBQW-GVDBMIGSSA-N	1	0	290.427	3.287	40	30		CGEBRO
C#CC(C)(C)[N@H+]1C[C@@H](C)[C@@](O)(c2ccccc2)C[C@H]1C	ZINC000038193261	275378950	/nfs/dbraw/zinc/37/89/50/275378950.db2.gz	IAAKUFFGGFOSEZ-IIDMSEBBSA-N	1	0	271.404	3.016	40	30		CGEBRO
C[NH+](C)CCS/C(=N\c1ccccc1)N1CCCCC1	ZINC000017221124	521806281	/nfs/dbraw/zinc/80/62/81/521806281.db2.gz	YOJWDMOEQCMKRU-MSUUIHNZSA-N	1	0	291.464	3.455	40	30		CGEBRO
C=C[C@H]1C[N@H+]2CC[C@@H]1C[C@H]2c1[nH]c2ccccc2c1CCO	ZINC000005224290	560201269	/nfs/dbraw/zinc/20/12/69/560201269.db2.gz	YAUKSCGKZYUZRH-IYOUNJFTSA-N	1	0	296.414	3.272	40	30	in-vitro	CGEBRO
O/N=C1\CCC=CCC[C@@H]1[N@@H+]1CCc2ccccc2C1	ZINC000018099151	368738987	/nfs/dbraw/zinc/73/89/87/368738987.db2.gz	IDRGZRXXYGNFDO-QXKAENLQSA-N	1	0	270.376	3.374	40	30		CGEBRO
C=CCOc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1	ZINC000022075909	171352127	/nfs/dbraw/zinc/35/21/27/171352127.db2.gz	SCWQMYJHACSPOT-GOSISDBHSA-N	1	0	283.371	3.075	40	30		CGEBRO
Cc1cc(C)cc(C(=O)O/N=C2/C[C@H](C)[N@@H+](C)C[C@H]2C)c1	ZINC000016268982	262023138	/nfs/dbraw/zinc/02/31/38/262023138.db2.gz	SZODBIJMCWIIGC-OFXSGMSSSA-N	1	0	288.391	3.176	40	30		CGEBRO
C[NH+](C)C[C@@H](C(=O)/C=C\c1ccccc1)C(C)(C)C	ZINC000017175331	289186891	/nfs/dbraw/zinc/18/68/91/289186891.db2.gz	ZSIVVWYUUVQESE-SSCKCOOKSA-N	1	0	259.393	3.493	40	30		CGEBRO
CC(=O)C[n+]1ccc(C)cc1Sc1ccccc1C	ZINC000001579139	368421029	/nfs/dbraw/zinc/42/10/29/368421029.db2.gz	UPUIBXDHOLFTIB-UHFFFAOYSA-N	1	0	272.393	3.331	40	30		CGEBRO
O=CC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1	ZINC000002022115	368444793	/nfs/dbraw/zinc/44/47/93/368444793.db2.gz	ZBQJTCFWWZXZBG-UHFFFAOYSA-N	1	0	279.383	3.419	40	30		CGEBRO
O=C1c2ccccc2CC[C@@H]1[n+]1ccc2ccccc2c1	ZINC000001666383	285024350	/nfs/dbraw/zinc/02/43/50/285024350.db2.gz	JSZHWTIKHGLJBU-SFHVURJKSA-N	1	0	274.343	3.498	40	30		CGEBRO
N#Cc1ccc2c(c1)CO[C@]2(CCC[NH3+])c1ccc(F)cc1	ZINC000006093242	170175847	/nfs/dbraw/zinc/17/58/47/170175847.db2.gz	RKUKMUWCRLRPEJ-GOSISDBHSA-N	1	0	296.345	3.210	40	30	world	CGEBRO
Fc1ccc(/C(=[NH+]/Cc2ccccc2)N2CCOCC2)cc1	ZINC000001652399	368427828	/nfs/dbraw/zinc/42/78/28/368427828.db2.gz	BAQASOCKSAZCAP-ZZEZOPTASA-N	1	0	298.361	3.105	40	30		CGEBRO
C[NH+](C)C[C@H](C(=O)/C=C\c1ccccc1)C(C)(C)C	ZINC000017175332	391934825	/nfs/dbraw/zinc/93/48/25/391934825.db2.gz	ZSIVVWYUUVQESE-QYMJWVLRSA-N	1	0	259.393	3.493	40	30		CGEBRO
C=CCO[C@H]1CC2(CC[NH2+]CC2)c2cc(C)ccc21	ZINC000096241743	392246302	/nfs/dbraw/zinc/24/63/02/392246302.db2.gz	UBMHGFYXPQULSA-INIZCTEOSA-N	1	0	257.377	3.264	40	30		CGEBRO
C=CC[N@H+]1C[C@@H](C)[C@H](OC(=O)c2ccccc2)C[C@@H]1C	ZINC000005377010	170090926	/nfs/dbraw/zinc/09/09/26/170090926.db2.gz	GCJXHLAUPMDQPQ-IJEWVQPXSA-N	1	0	273.376	3.128	40	30		CGEBRO
CC[NH+](CC)CCO/N=C(\c1ccccc1)c1ccccn1	ZINC000001598137	260006002	/nfs/dbraw/zinc/00/60/02/260006002.db2.gz	LURHNZKIXLOLQK-CZIZESTLSA-N	1	0	297.402	3.192	40	30		CGEBRO
[NH2+]=C(Nc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1	ZINC000020466856	171210287	/nfs/dbraw/zinc/21/02/87/171210287.db2.gz	PQJCUAFCEUNLHA-UHFFFAOYSA-N	1	0	285.738	3.275	40	30		CGEBRO
N#[N+]CC(=O)c1ccccc1C#CCCc1ccccc1	ZINC000005836845	534974916	/nfs/dbraw/zinc/97/49/16/534974916.db2.gz	RBUMGDQJMZOAGK-UHFFFAOYSA-N	1	0	274.323	3.154	40	30		CGEBRO
C#CCC(C)(C)OC[C@H](O)C[NH+]1C(C)(C)CCCC1(C)C	ZINC000028295162	368885322	/nfs/dbraw/zinc/88/53/22/368885322.db2.gz	FBOMHKMZTKNPNE-OAHLLOKOSA-N	1	0	295.467	3.209	40	30		CGEBRO
C[N@@H+]1CCc2c(C#N)c(Cl)nc(-c3ccccc3)c2C1	ZINC000095098104	277186844	/nfs/dbraw/zinc/18/68/44/277186844.db2.gz	KRHNDMWLVPZDEJ-UHFFFAOYSA-N	1	0	283.762	3.262	40	30		CGEBRO
C[N+](C)(C)Cc1ccccc1/C(=N/O)c1ccccc1	ZINC000017424155	368733207	/nfs/dbraw/zinc/73/32/07/368733207.db2.gz	PDHGKNQRPRZZLV-ISLYRVAYSA-O	1	0	269.368	3.119	40	30		CGEBRO
Cc1cc[n+](CC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1	ZINC000004714708	261062359	/nfs/dbraw/zinc/06/23/59/261062359.db2.gz	NSRQRKHYRJGBQW-BRWVUGGUSA-N	1	0	290.427	3.287	40	30		CGEBRO
COc1ccc2[nH+]c(C)cc(NN=Cc3cccnc3)c2c1	ZINC000031760523	368917235	/nfs/dbraw/zinc/91/72/35/368917235.db2.gz	ZXVHYKHTAQEISS-ODLFYWEKSA-N	1	0	292.342	3.393	40	30		CGEBRO
CC[N+](/C=C/C(=O)c1ccc(F)cc1)(CC)CC	ZINC000000160493	169558238	/nfs/dbraw/zinc/55/82/38/169558238.db2.gz	ZWMGBWPAHJCWAO-VAWYXSNFSA-N	1	0	250.337	3.399	40	30		CGEBRO
CC(C)=CCCC(C)=CCCC(C)N=NC(N)=[NH2+]	ZINC000006022369	170168917	/nfs/dbraw/zinc/16/89/17/170168917.db2.gz	XJAJMKSELBJGPB-AAMUTCKCSA-N	1	0	250.390	3.109	40	30		CGEBRO
Fc1ccccc1CC[NH2+]CC#Cc1ccccc1	ZINC000016451165	262043998	/nfs/dbraw/zinc/04/39/98/262043998.db2.gz	JZBYMRCSGVFSLZ-UHFFFAOYSA-N	1	0	253.320	3.010	40	30		CGEBRO
C=CC[N+](C)(C)CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	ZINC000002290770	276911614	/nfs/dbraw/zinc/91/16/14/276911614.db2.gz	SLARZQHNLGEXOZ-CPUCHLNUSA-N	1	0	280.432	3.007	40	30		CGEBRO
C=CC12CC[NH+](CC1)[C@H]([C@@H](O)c1ccnc3ccccc31)C2	ZINC000255188566	534519726	/nfs/dbraw/zinc/51/97/26/534519726.db2.gz	KKAXKCAVAOUING-ROUUACIJSA-N	1	0	294.398	3.309	40	30		CGEBRO
C[C@@H](C[N+](=O)Cc1ccccc1)OCc1ccccc1	ZINC000004292824	368541064	/nfs/dbraw/zinc/54/10/64/368541064.db2.gz	QFUDRHWJVNDOTF-BRYHAGSVSA-N	1	0	269.344	3.373	40	30		CGEBRO
C=C[C@@]12CCCC[C@@H]1[C@@H]([NH2+]C)Cc1ccc(OC)c(O)c12	ZINC000005732931	368564930	/nfs/dbraw/zinc/56/49/30/368564930.db2.gz	ZOZMXYFBECUVFI-QWQRMKEZSA-N	1	0	287.403	3.159	40	30		CGEBRO
C#CC(C)(C)[N@H+]1C[C@@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C	ZINC000036023021	391975947	/nfs/dbraw/zinc/97/59/47/391975947.db2.gz	IAAKUFFGGFOSEZ-RVKKMQEKSA-N	1	0	271.404	3.016	40	30		CGEBRO
C[N@@H+]1CCc2nc(Cl)c(C#N)c(-c3ccccc3)c2C1	ZINC000096511127	392257628	/nfs/dbraw/zinc/25/76/28/392257628.db2.gz	XJNVHEZGCRWYRY-UHFFFAOYSA-N	1	0	283.762	3.262	40	30		CGEBRO
C=C[C@]12CCCC[C@@H]1[C@H]([NH2+]C)Cc1ccc(OC)c(O)c12	ZINC000005732921	170134906	/nfs/dbraw/zinc/13/49/06/170134906.db2.gz	ZOZMXYFBECUVFI-LBTNJELSSA-N	1	0	287.403	3.159	40	30		CGEBRO
O/N=C1\CCC=CCC[C@H]1[NH+]1CCN(c2ccccc2)CC1	ZINC000017722902	368735027	/nfs/dbraw/zinc/73/50/27/368735027.db2.gz	CZTYZCMXEBAZAE-OTAZIYCPSA-N	1	0	299.418	3.138	40	30		CGEBRO
CCCCCCC[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1	ZINC000104155358	370338940	/nfs/dbraw/zinc/33/89/40/370338940.db2.gz	WTBZBGHEOFRDCZ-CQSZACIVSA-N	1	0	270.417	3.119	40	30		CGEBRO
COc1cc(C)ccc1C(=O)C[n+]1ccc2ccccc2c1	ZINC000001598322	368422002	/nfs/dbraw/zinc/42/20/02/368422002.db2.gz	YEGSHKJYXBTUHM-UHFFFAOYSA-N	1	0	292.358	3.327	40	30		CGEBRO
Cc1c(C)c(C)c(C(=O)C[n+]2ccccc2)c(C)c1C	ZINC000001720675	368435361	/nfs/dbraw/zinc/43/53/61/368435361.db2.gz	GKFGUJMUXLSQTQ-UHFFFAOYSA-N	1	0	268.380	3.399	40	30		CGEBRO
C[C@H]1C[C@@](CC#N)(Cc2ccccc2)[C@H](C)C[N@@H+]1C	ZINC000004006539	368526120	/nfs/dbraw/zinc/52/61/20/368526120.db2.gz	RNTBUEWRNSUQKM-VYDXJSESSA-N	1	0	256.393	3.489	40	30		CGEBRO
C=CC[N@@H+]1CCC[C@@]12CCCN(C(=O)c1ccsc1)C2	ZINC000096214862	370208741	/nfs/dbraw/zinc/20/87/41/370208741.db2.gz	DEJFGJZZRBZAKM-MRXNPFEDSA-N	1	0	290.432	3.005	40	30		CGEBRO
C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+]([C@@H]1CCC/C1=N/O)C2	ZINC000100986896	370286385	/nfs/dbraw/zinc/28/63/85/370286385.db2.gz	JEUFIUHDRRQWNJ-PHYAHFHTSA-N	1	0	250.386	3.270	40	30		CGEBRO
O/N=C1/[C@H]([N@@H+]2CCC[C@@H]3CCCC[C@H]32)[C@@H]2CC[C@H]1C2	ZINC000035193912	391975839	/nfs/dbraw/zinc/97/58/39/391975839.db2.gz	DUVHOKXICRQEBV-JRUHJVJKSA-N	1	0	262.397	3.270	40	30		CGEBRO
C[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(N)C#N	ZINC000073335334	392213031	/nfs/dbraw/zinc/21/30/31/392213031.db2.gz	HUSDDKCTLLCYKF-FZDIXFNVSA-N	1	0	291.398	3.319	40	30		CGEBRO
C=CC[N@@H+]1CCC[C@]12CCCN(C(=O)Nc1ccccc1)C2	ZINC000096214773	392246829	/nfs/dbraw/zinc/24/68/29/392246829.db2.gz	OAXBTLFLFVZSRJ-SFHVURJKSA-N	1	0	299.418	3.335	40	30		CGEBRO
C=C(C)[C@H]1CC[C@](C)(O)[C@@H]([NH2+]Cc2ccccc2)C1	ZINC000072266167	176352240	/nfs/dbraw/zinc/35/22/40/176352240.db2.gz	MVTOQJOOEKBQMJ-ULQDDVLXSA-N	1	0	259.393	3.272	40	30		CGEBRO
CC[NH+](CC)C(C)(C)C(=O)/C=C/c1ccc(OC)cc1	ZINC000001607746	276092893	/nfs/dbraw/zinc/09/28/93/276092893.db2.gz	HWLBGGQBXUJSEJ-JLHYYAGUSA-N	1	0	275.392	3.398	40	30		CGEBRO
C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccsc1)C2	ZINC000096048194	185072516	/nfs/dbraw/zinc/07/25/16/185072516.db2.gz	IXVCEQIXGZTTJV-CVEARBPZSA-N	1	0	293.432	3.074	40	30		CGEBRO
CCCCCCCCCC[NH+](C[C@H](C)O)C[C@H](C)O	ZINC000100076346	185704048	/nfs/dbraw/zinc/70/40/48/185704048.db2.gz	BVNRDHVWLFPWFU-HOTGVXAUSA-N	1	0	273.461	3.191	40	30		CGEBRO
O/N=C/c1cc[n+](C(c2ccccc2)c2ccccc2)cc1	ZINC000004424970	368545888	/nfs/dbraw/zinc/54/58/88/368545888.db2.gz	UQCHTGZOIRUIQW-UHFFFAOYSA-O	1	0	289.358	3.420	40	30		CGEBRO
C=CC[N@H+]1CCC[C@]12CCCN(C(=O)c1cccc(C)c1)C2	ZINC000096214719	370208727	/nfs/dbraw/zinc/20/87/27/370208727.db2.gz	OOHNUKXEVMJVNJ-IBGZPJMESA-N	1	0	298.430	3.252	40	30		CGEBRO
O/N=C1/[C@H]([N@@H+]2CCC[C@@H]3CCCC[C@@H]32)[C@@H]2CC[C@H]1C2	ZINC000035193914	391974566	/nfs/dbraw/zinc/97/45/66/391974566.db2.gz	DUVHOKXICRQEBV-QAOXUMNOSA-N	1	0	262.397	3.270	40	30		CGEBRO
C#CC(C)(C)[N@H+]1C[C@@H](C)[C@](O)(c2ccccc2)C[C@H]1C	ZINC000036023022	391975782	/nfs/dbraw/zinc/97/57/82/391975782.db2.gz	IAAKUFFGGFOSEZ-RKVPGOIHSA-N	1	0	271.404	3.016	40	30		CGEBRO
CC[S@@+](C)CCOC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C	ZINC000008614529	170342969	/nfs/dbraw/zinc/34/29/69/170342969.db2.gz	SASXFTPTKAVVSQ-JCGVRSQUSA-N	1	0	271.446	3.036	40	30		CGEBRO
C=C[C@@]12CCCC[C@@H]1[C@H]([NH2+]C)Cc1ccc(OC)c(O)c12	ZINC000005732929	277909719	/nfs/dbraw/zinc/90/97/19/277909719.db2.gz	ZOZMXYFBECUVFI-HBUWYVDXSA-N	1	0	287.403	3.159	40	30		CGEBRO
C[N+]1(C)CCC(c2ccccc2)(c2ccccc2)C(=O)C1	ZINC000001713256	280177802	/nfs/dbraw/zinc/17/78/02/280177802.db2.gz	QARPBGLXILINMN-UHFFFAOYSA-N	1	0	280.391	3.022	40	30		CGEBRO
C=C1[NH+]2CCC(CC2)[C@@]1(OC(=O)CC)c1ccccc1	ZINC000001688590	368431806	/nfs/dbraw/zinc/43/18/06/368431806.db2.gz	UKKZHXCNPLJCHP-KRWDZBQOSA-N	1	0	271.360	3.074	40	30		CGEBRO
CCCCCCCCCC[N@H+](C[C@@H](C)O)C[C@H](C)O	ZINC000100076342	370271138	/nfs/dbraw/zinc/27/11/38/370271138.db2.gz	BVNRDHVWLFPWFU-IYBDPMFKSA-N	1	0	273.461	3.191	40	30		CGEBRO
CN(C)c1ccc([N+](=O)Cc2ccc3nsnc3c2)cc1	ZINC000000484569	169653406	/nfs/dbraw/zinc/65/34/06/169653406.db2.gz	FDMATHAJJDNNRY-GRSHGNNSSA-N	1	0	298.371	3.018	40	30		CGEBRO
Cc1cc[n+](CC(=O)Nc2ccccc2)c2ccccc12	ZINC000001885714	169762197	/nfs/dbraw/zinc/76/21/97/169762197.db2.gz	KYDPOGTUOYOLJW-UHFFFAOYSA-O	1	0	277.347	3.074	40	30		CGEBRO
C=CCOc1ccc(C[NH2+]CC(C)C)cc1OCC	ZINC000006537888	170211146	/nfs/dbraw/zinc/21/11/46/170211146.db2.gz	XSQKZACPGMFBQP-UHFFFAOYSA-N	1	0	263.381	3.396	40	30		CGEBRO