smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)[C@H]2CC[C@]1(C)C[N@H+](CCC1C3CC4CC(C3)CC1C4)C2	ZINC000001486403	180870087	/nfs/dbraw/zinc/87/00/87/180870087.db2.gz	NPKDVSVECDHKOT-GEGPRYKKSA-N	1	0	315.545	5.207	1	0		DKAFRO
CC[n+]1c(/C=C/c2ccc(SC)cc2)ccc2ccccc21	ZINC000005340082	181231718	/nfs/dbraw/zinc/23/17/18/181231718.db2.gz	YBDMAUJXEPMVNS-XYOKQWHBSA-N	1	0	306.454	5.040	1	0		DKAFRO
CC(C)C[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000005441231	181243655	/nfs/dbraw/zinc/24/36/55/181243655.db2.gz	DPJZYUYVRIVLJB-UHFFFAOYSA-N	1	0	315.460	5.224	1	0		DKAFRO
CC[NH+](CC)C(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000005561488	181257970	/nfs/dbraw/zinc/25/79/70/181257970.db2.gz	FIQUJFFZRPEKGF-UHFFFAOYSA-N	1	0	315.460	5.320	1	0		DKAFRO
c1ccc([C@@H]2CC(=[NH+]C3CCCCC3)Nc3ccccc3N2)cc1	ZINC000005582932	181260389	/nfs/dbraw/zinc/26/03/89/181260389.db2.gz	CYCUYEZTPCESQC-FQEVSTJZSA-N	1	0	319.452	5.196	1	0		DKAFRO
C[NH+](C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000005689131	181273170	/nfs/dbraw/zinc/27/31/70/181273170.db2.gz	JOQQHMGSIKNGAF-HLFYOVGASA-N	1	0	312.284	5.075	1	0		DKAFRO
C[NH+](C)C[C@@H]1C2CCC(CC2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000005689139	181273093	/nfs/dbraw/zinc/27/30/93/181273093.db2.gz	JOQQHMGSIKNGAF-FVCZZGBASA-N	1	0	312.284	5.075	1	0		DKAFRO
c1ccc(C[N@@H+]2CCCC[C@H](Sc3ccccc3)CC2)cc1	ZINC000005824059	181286832	/nfs/dbraw/zinc/28/68/32/181286832.db2.gz	ISMYZIIEFHOJAG-FQEVSTJZSA-N	1	0	311.494	5.224	1	0		DKAFRO
C[NH+](C)[C@@H]1C[C@H](c2ccc(Cl)cc2Cl)c2ccccc21	ZINC000005965155	181301702	/nfs/dbraw/zinc/30/17/02/181301702.db2.gz	WVYAYEHQWAYJNS-DOTOQJQBSA-N	1	0	306.236	5.132	1	0		DKAFRO
C[NH+](C)[C@@H]1C[C@@H](c2ccc(Cl)cc2Cl)c2ccccc21	ZINC000005965160	181301284	/nfs/dbraw/zinc/30/12/84/181301284.db2.gz	WVYAYEHQWAYJNS-NVXWUHKLSA-N	1	0	306.236	5.132	1	0		DKAFRO
C[NH+](C)[C@H]1C[C@@H](c2ccc(Cl)cc2Cl)c2ccccc21	ZINC000005965216	181301553	/nfs/dbraw/zinc/30/15/53/181301553.db2.gz	WVYAYEHQWAYJNS-WBVHZDCISA-N	1	0	306.236	5.132	1	0		DKAFRO
C[C@H](NC1=[NH+]CCCCC1)c1ccc(Oc2ccccc2)cc1	ZINC000006030339	181306798	/nfs/dbraw/zinc/30/67/98/181306798.db2.gz	QCULBCYSTZYTMD-INIZCTEOSA-N	1	0	308.425	5.102	1	0		DKAFRO
C[C@@H](NC1=[NH+]CCCCC1)c1ccc(Oc2ccccc2)cc1	ZINC000006037113	181307074	/nfs/dbraw/zinc/30/70/74/181307074.db2.gz	QCULBCYSTZYTMD-MRXNPFEDSA-N	1	0	308.425	5.102	1	0		DKAFRO
c1ccc(C[N@@H+]2CCCC[C@@H]2C23CC4CC(CC(C4)C2)C3)cc1	ZINC000006579838	181356439	/nfs/dbraw/zinc/35/64/39/181356439.db2.gz	BTQCMJVQCXEUEE-SWXIYASGSA-N	1	0	309.497	5.258	1	0		DKAFRO
c1ccc(C[N@@H+]2CCCC[C@H]2C23CC4CC(CC(C4)C2)C3)cc1	ZINC000006579840	181356347	/nfs/dbraw/zinc/35/63/47/181356347.db2.gz	BTQCMJVQCXEUEE-DLBGWFIVSA-N	1	0	309.497	5.258	1	0		DKAFRO
CCC[NH+](CCC)[C@H]1CCc2c(cccc2-c2ccccc2)C1	ZINC000013581246	181864869	/nfs/dbraw/zinc/86/48/69/181864869.db2.gz	BSNBARNQHMJQEX-FQEVSTJZSA-N	1	0	307.481	5.333	1	0		DKAFRO
C[NH+](C)CCn1ccc2ccc(-c3ccc4ccccc4c3)cc21	ZINC000013587951	181866436	/nfs/dbraw/zinc/86/64/36/181866436.db2.gz	NGGLCOOMLYDRSU-UHFFFAOYSA-N	1	0	314.432	5.023	1	0		DKAFRO
C[NH+]1[C@H](/C=C/c2ccccc2)CCC[C@H]1/C=C/c1ccccc1	ZINC000013671731	181875985	/nfs/dbraw/zinc/87/59/85/181875985.db2.gz	BCHCCPODJPHTTL-IMWRMMLDSA-N	1	0	303.449	5.266	1	0		DKAFRO
C[NH+]1[C@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1	ZINC000013671736	181876012	/nfs/dbraw/zinc/87/60/12/181876012.db2.gz	ISVBJSRQEBWKPB-VXKWHMMOSA-N	1	0	307.481	5.105	1	0	in-vitro	DKAFRO
C[N@H+]1[C@H](/C=C/c2ccccc2)CCC[C@H]1CCc1ccccc1	ZINC000013671742	181876207	/nfs/dbraw/zinc/87/62/07/181876207.db2.gz	IAZJJYHHFHZOIL-GLDDHKADSA-N	1	0	305.465	5.186	1	0		DKAFRO
C[N@H+]1[C@@H](/C=C/c2ccccc2)CCC[C@@H]1CCc1ccccc1	ZINC000013671746	181876278	/nfs/dbraw/zinc/87/62/78/181876278.db2.gz	IAZJJYHHFHZOIL-RASLGIBBSA-N	1	0	305.465	5.186	1	0		DKAFRO
Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1CC[NH+](C)CC1	ZINC000013731247	181885195	/nfs/dbraw/zinc/88/51/95/181885195.db2.gz	UJOWBALLYUQQQK-UHFFFAOYSA-N	1	0	322.427	5.023	1	0		DKAFRO
CCC[NH+](CCC)[C@H]1CCc2cccc(-c3ccccc3)c2C1	ZINC000013732319	181885832	/nfs/dbraw/zinc/88/58/32/181885832.db2.gz	OFFYQPYZZMYNDH-FQEVSTJZSA-N	1	0	307.481	5.333	1	0		DKAFRO
CCC[NH+](CCC)[C@H]1CCc2cccc(-c3ccco3)c2[C@H]1C	ZINC000013740175	181887640	/nfs/dbraw/zinc/88/76/40/181887640.db2.gz	KWDLVEVMEUOSDX-LPHOPBHVSA-N	1	0	311.469	5.487	1	0		DKAFRO
CCCCCC/[NH+]=c1\ccn(Cc2ccccc2)c2ccccc21	ZINC000013741410	181887168	/nfs/dbraw/zinc/88/71/68/181887168.db2.gz	GRLRXFAGAKMYSQ-XTQSDGFTSA-N	1	0	318.464	5.171	1	0	in-vivo	DKAFRO
CCC[NH+](CCC)[C@@H]1CCc2c(F)ccc(-c3ccco3)c2C1	ZINC000013759315	181890787	/nfs/dbraw/zinc/89/07/87/181890787.db2.gz	VCGHQCITPXNODE-OAHLLOKOSA-N	1	0	315.432	5.065	1	0		DKAFRO
CCC[NH+](CCC)[C@H]1CCc2cccc(-c3cccs3)c2C1	ZINC000013759337	181890587	/nfs/dbraw/zinc/89/05/87/181890587.db2.gz	GCKSLAITDJGWSU-KRWDZBQOSA-N	1	0	313.510	5.394	1	0		DKAFRO
FC(F)(F)c1ccc(-c2ccoc2C2=C[NH+]3CCC2CC3)cc1	ZINC000013766639	181892492	/nfs/dbraw/zinc/89/24/92/181892492.db2.gz	XFRRXQDVSCYLBU-UHFFFAOYSA-N	1	0	319.326	5.032	1	0		DKAFRO
COc1cccc2c1CC[C@@H]2CCCC[N@@H+]1CCCC(C)(C)C1	ZINC000013781274	181895262	/nfs/dbraw/zinc/89/52/62/181895262.db2.gz	OJJTYDWXOHOVLI-KRWDZBQOSA-N	1	0	315.501	5.017	1	0		DKAFRO
CC(C)=CCC/C(C)=C/CC/C(C)=C/C[NH2+]Cc1cccnc1	ZINC000013827381	560220690	/nfs/dbraw/zinc/22/06/90/560220690.db2.gz	LOBKJLMNXXPMNQ-OPBVARBZSA-N	1	0	312.501	5.590	1	0	in-vitro	DKAFRO
CC(C)CCC[C@@H](C)CCC[C@@H](C)CC[NH2+]Cc1cccnc1	ZINC000013827390	181903967	/nfs/dbraw/zinc/90/39/67/181903967.db2.gz	ZITUXLPBFYHUQU-WOJBJXKFSA-N	1	0	318.549	5.830	1	0		DKAFRO
C[NH+](C)[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21	ZINC000013835781	181904950	/nfs/dbraw/zinc/90/49/50/181904950.db2.gz	UNCBFTIAWJTNTF-PBHICJAKSA-N	1	0	306.236	5.132	1	0		DKAFRO
CC[NH2+][C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21	ZINC000013835794	181905611	/nfs/dbraw/zinc/90/56/11/181905611.db2.gz	FIGPOABEAKIBCL-YOEHRIQHSA-N	1	0	306.236	5.180	1	0		DKAFRO
CC(C)[NH2+][C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21	ZINC000013835798	181905865	/nfs/dbraw/zinc/90/58/65/181905865.db2.gz	MSLSPRSRIMVUAY-YJBOKZPZSA-N	1	0	320.263	5.568	1	0		DKAFRO
C1CN(C2CCCCCCC2)CC[N@@H+](C2CCCCCCC2)C1	ZINC000022782494	182333675	/nfs/dbraw/zinc/33/36/75/182333675.db2.gz	QIWAGLYFVHRFJP-UHFFFAOYSA-N	1	0	320.565	5.220	1	0		DKAFRO
CCCCC(CCCC)N1CC[C@H]1[C@@H]([NH3+])c1cccc(Cl)c1	ZINC000022941681	182343663	/nfs/dbraw/zinc/34/36/63/182343663.db2.gz	SLAKMAJONHWLOD-OALUTQOASA-N	1	0	322.924	5.163	1	0		DKAFRO
CCCC[C@H](CC)C[NH+]=c1ccn(C[C@@H](CC)CCCC)cc1	ZINC000026172372	182431874	/nfs/dbraw/zinc/43/18/74/182431874.db2.gz	JKLXHVIIXDAHCV-PMACEKPBSA-N	1	0	318.549	5.822	1	0		DKAFRO
CC1CC[NH+](CCC=C(c2ccccc2)c2ccccc2)CC1	ZINC000026296504	182436519	/nfs/dbraw/zinc/43/65/19/182436519.db2.gz	MBDKUAGMSYVRFV-UHFFFAOYSA-N	1	0	305.465	5.240	1	0		DKAFRO
CCCC1(CCC[NH+](C)C)c2ccccc2CCc2ccccc21	ZINC000026664902	182448913	/nfs/dbraw/zinc/44/89/13/182448913.db2.gz	TWDNCIASYCIVNN-UHFFFAOYSA-N	1	0	321.508	5.213	1	0		DKAFRO
CCSc1ccc([C@@H]2C[N@@H+]3CCC[C@@H]3c3ccccc32)cc1	ZINC000026672940	182449834	/nfs/dbraw/zinc/44/98/34/182449834.db2.gz	MGIQNVOTXFSAHQ-VQTJNVASSA-N	1	0	309.478	5.081	1	0		DKAFRO
CCC[N@@H+]1CC[C@H]2[C@H](c3ccc(C)cc3)c3cc(C)ccc3[C@H]2C1	ZINC000027850323	182493187	/nfs/dbraw/zinc/49/31/87/182493187.db2.gz	NHBRSUFJRSMUBQ-MZYLBHOOSA-N	1	0	319.492	5.264	1	0		DKAFRO
CCCc1ccc2c(c1CCC)C[C@H]([NH+](CCC)CCC)CO2	ZINC000028764384	182537742	/nfs/dbraw/zinc/53/77/42/182537742.db2.gz	PEAWJJNSSBDZJQ-SFHVURJKSA-N	1	0	317.517	5.017	1	0		DKAFRO
CCCc1ccc2c(c1CCC)C[C@@H]([NH+](CCC)CCC)CO2	ZINC000028764386	182537702	/nfs/dbraw/zinc/53/77/02/182537702.db2.gz	PEAWJJNSSBDZJQ-GOSISDBHSA-N	1	0	317.517	5.017	1	0		DKAFRO
C[NH+](C)[C@@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)c2ccccc21	ZINC000029313729	182559743	/nfs/dbraw/zinc/55/97/43/182559743.db2.gz	MKSRSZKGUKRVLK-MAUKXSAKSA-N	1	0	319.370	5.234	1	0		DKAFRO
C[NH+](C)[C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)c2ccccc21	ZINC000029314818	182559524	/nfs/dbraw/zinc/55/95/24/182559524.db2.gz	IXRGQPNGUCFHMV-MAUKXSAKSA-N	1	0	319.370	5.234	1	0		DKAFRO
CCCCOc1ccc([C@@H]2CC[C@@H]([NH2+]C)c3ccccc32)cc1	ZINC000029322189	182560467	/nfs/dbraw/zinc/56/04/67/182560467.db2.gz	VQKDILDGJJMEMG-GHTZIAJQSA-N	1	0	309.453	5.052	1	0		DKAFRO
CCCCOc1ccc([C@@H]2CC[C@H]([NH2+]C)c3ccccc32)cc1	ZINC000029327340	182560406	/nfs/dbraw/zinc/56/04/06/182560406.db2.gz	VQKDILDGJJMEMG-RXVVDRJESA-N	1	0	309.453	5.052	1	0		DKAFRO
CCC[NH2+][C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21	ZINC000029482454	182566588	/nfs/dbraw/zinc/56/65/88/182566588.db2.gz	FSUVEHUIVCMLNZ-CRAIPNDOSA-N	1	0	320.263	5.570	1	0		DKAFRO
CC[NH2+][C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21	ZINC000029483938	190655525	/nfs/dbraw/zinc/65/55/25/190655525.db2.gz	FIGPOABEAKIBCL-RHSMWYFYSA-N	1	0	306.236	5.180	1	0		DKAFRO
C[C@H]1CCC[C@H](C)[NH+]1CCC[C@@H](c1ccccc1)c1ccccn1	ZINC000029548503	182569686	/nfs/dbraw/zinc/56/96/86/182569686.db2.gz	ZLAHQIMJLVZQIO-ZJOUEHCJSA-N	1	0	322.496	5.257	1	0		DKAFRO
C[NH+](C)CC/C=C1/c2ccccc2Sc2cc(Cl)ccc21	ZINC000029747042	182575762	/nfs/dbraw/zinc/57/57/62/182575762.db2.gz	MDESCHUXWOWHQJ-AUWJEWJLSA-N	1	0	315.869	5.188	1	0		DKAFRO
[NH3+]C12CC3C[C@](C4CCCCC4)(C1)C[C@@](C1CCCCC1)(C3)C2	ZINC000033817722	182722354	/nfs/dbraw/zinc/72/23/54/182722354.db2.gz	OCNRWOKQFKXZGR-QFWMWPAFSA-N	1	0	315.545	5.815	1	0		DKAFRO
Clc1ccc([C@H](CC2CCCCC2)[C@@H]2CCCC[NH2+]2)cc1	ZINC000035090438	182751940	/nfs/dbraw/zinc/75/19/40/182751940.db2.gz	ZTZXXNVAKZPHBL-OALUTQOASA-N	1	0	305.893	5.536	1	0	in-vitro	DKAFRO
Clc1ccc([C@@H](CCc2ccccc2)[C@H]2CCCC[NH2+]2)cc1	ZINC000035090457	182752126	/nfs/dbraw/zinc/75/21/26/182752126.db2.gz	QUVNADBNAUIISW-WOJBJXKFSA-N	1	0	313.872	5.199	1	0	in-vitro	DKAFRO
CCCC[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[NH2+]1	ZINC000035090492	182752038	/nfs/dbraw/zinc/75/20/38/182752038.db2.gz	CCEQAXVCJWOVQY-CJNGLKHVSA-N	1	0	300.273	5.409	1	0		DKAFRO
Cc1ccc(C[C@H]2[C@@H]3CC[C@H](C[C@@H]2c2ccc(C)cc2)[N@H+]3C)cc1	ZINC000036271687	182811816	/nfs/dbraw/zinc/81/18/16/182811816.db2.gz	NTQZPTJQKKESBJ-ODAXIHTASA-N	1	0	319.492	5.112	1	0		DKAFRO
C[C@H](NC1=[NH+]CCCCC1)c1ccc(CCc2ccccc2)cc1	ZINC000039369495	183016914	/nfs/dbraw/zinc/01/69/14/183016914.db2.gz	CZCRVESSUGQDLM-SFHVURJKSA-N	1	0	320.480	5.095	1	0		DKAFRO
C[C@@H](NC1=[NH+]CCCCC1)c1ccc(CCc2ccccc2)cc1	ZINC000039369497	183016898	/nfs/dbraw/zinc/01/68/98/183016898.db2.gz	CZCRVESSUGQDLM-GOSISDBHSA-N	1	0	320.480	5.095	1	0		DKAFRO
CC[C@@H](c1ccc(-c2ccc(SC)cc2)cc1)n1ccnc1	ZINC000040425236	183065455	/nfs/dbraw/zinc/06/54/55/183065455.db2.gz	NUCLCCGXSDSLLN-IBGZPJMESA-N	1	0	308.450	5.271	1	0		DKAFRO
CC[C@H](c1ccc(-c2ccc(SC)cc2)cc1)n1ccnc1	ZINC000040425238	183065369	/nfs/dbraw/zinc/06/53/69/183065369.db2.gz	NUCLCCGXSDSLLN-LJQANCHMSA-N	1	0	308.450	5.271	1	0		DKAFRO
CCCC[N@H+]1Cc2sccc2[C@H](c2ccc(Cl)cc2)C1	ZINC000040641373	183113581	/nfs/dbraw/zinc/11/35/81/183113581.db2.gz	GJKITXSVQFQOTM-INIZCTEOSA-N	1	0	305.874	5.149	1	0		DKAFRO
CCCC[N@H+]1Cc2sccc2[C@@H](c2ccc(Cl)cc2)C1	ZINC000040641376	183113311	/nfs/dbraw/zinc/11/33/11/183113311.db2.gz	GJKITXSVQFQOTM-MRXNPFEDSA-N	1	0	305.874	5.149	1	0		DKAFRO
C[NH2+][C@H](C)c1cc(C)ccc1Oc1ccc(Cl)c(Cl)c1	ZINC000040846015	183141263	/nfs/dbraw/zinc/14/12/63/183141263.db2.gz	ALIKLTHFBZBJOJ-LLVKDONJSA-N	1	0	310.224	5.375	1	0		DKAFRO
C[NH2+][C@@H](C)c1cc(C)ccc1Oc1ccc(Cl)c(Cl)c1	ZINC000040846017	183140986	/nfs/dbraw/zinc/14/09/86/183140986.db2.gz	ALIKLTHFBZBJOJ-NSHDSACASA-N	1	0	310.224	5.375	1	0		DKAFRO
C[N@@H+]1[C@@H](CCCc2ccccc2)CCC[C@H]1CCc1ccccc1	ZINC000040846767	183140704	/nfs/dbraw/zinc/14/07/04/183140704.db2.gz	JWKIHLITXBXGMO-GOTSBHOMSA-N	1	0	321.508	5.495	1	0		DKAFRO
C[NH2+]Cc1cc(F)ccc1Oc1ccc(-c2ccccc2)cc1	ZINC000040847458	183140974	/nfs/dbraw/zinc/14/09/74/183140974.db2.gz	IPPWLIAXZPMPOE-UHFFFAOYSA-N	1	0	307.368	5.004	1	0		DKAFRO
O=C1CC[C@@H]([N@H+](Cc2ccccc2)C2CCCC2)c2ccccc21	ZINC000040848008	183140602	/nfs/dbraw/zinc/14/06/02/183140602.db2.gz	TUFXASCMUOAMBC-OAQYLSRUSA-N	1	0	319.448	5.149	1	0		DKAFRO
O=C1CC[C@H]([N@H+](Cc2ccccc2)C2CCCC2)c2ccccc21	ZINC000040848009	183140667	/nfs/dbraw/zinc/14/06/67/183140667.db2.gz	TUFXASCMUOAMBC-NRFANRHFSA-N	1	0	319.448	5.149	1	0		DKAFRO
c1ccc2sc(Oc3ccc(C[NH+]4CCCCC4)cc3)nc2c1	ZINC000040848844	183141195	/nfs/dbraw/zinc/14/11/95/183141195.db2.gz	JNKRNJIZLGLIJG-UHFFFAOYSA-N	1	0	324.449	5.075	1	0	in-vivo	DKAFRO
C[C@@H](c1ccc(Cl)c(Cl)c1)c1ccccc1C[NH+](C)C	ZINC000040955987	183151467	/nfs/dbraw/zinc/15/14/67/183151467.db2.gz	LLTVABOFFOVVKQ-LBPRGKRZSA-N	1	0	308.252	5.207	1	0		DKAFRO
C[C@H](c1ccc(Cl)c(Cl)c1)c1ccccc1C[NH+](C)C	ZINC000040955990	183151589	/nfs/dbraw/zinc/15/15/89/183151589.db2.gz	LLTVABOFFOVVKQ-GFCCVEGCSA-N	1	0	308.252	5.207	1	0		DKAFRO
C[N@@H+]1[C@@H](CCCc2ccccc2)CCC[C@H]1Cc1ccccc1	ZINC000040980313	183154373	/nfs/dbraw/zinc/15/43/73/183154373.db2.gz	ULFMUIZKXZLCGU-VXKWHMMOSA-N	1	0	307.481	5.105	1	0		DKAFRO
CCCCCCSc1cc(C)c(C(=O)CC[NH+](C)C)c(C)c1	ZINC000043121918	183338955	/nfs/dbraw/zinc/33/89/55/183338955.db2.gz	MKBPSIGXBBYEBD-UHFFFAOYSA-N	1	0	321.530	5.110	1	0		DKAFRO
[NH3+]CC[C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000043154436	183341201	/nfs/dbraw/zinc/34/12/01/183341201.db2.gz	SNDGNPRZZZPUAX-WBMJQRKESA-N	1	0	320.263	5.037	1	0		DKAFRO
C[NH+](C)[C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000043154440	183341274	/nfs/dbraw/zinc/34/12/74/183341274.db2.gz	DVCQRBZBVYAGNZ-ZBFHGGJFSA-N	1	0	320.263	5.002	1	0		DKAFRO
C[N@@H+]1CCC[C@H]1c1ccc([C@H](c2ccccc2)C2CCCCC2)o1	ZINC000058480572	184119890	/nfs/dbraw/zinc/11/98/90/184119890.db2.gz	WHZBQLWHOPDIPC-SIKLNZKXSA-N	1	0	323.480	5.759	1	0		DKAFRO
C[N@@H+]1CC[C@H]2C[C@@H]1c1cc(-c3ccc(C(F)(F)F)cc3)ccc12	ZINC000061942482	184197608	/nfs/dbraw/zinc/19/76/08/184197608.db2.gz	VQJOLAVGGLHBJE-KBXCAEBGSA-N	1	0	317.354	5.236	1	0		DKAFRO
CCCC[n+]1cc2c(c3ccccc31)Nc1ccccc1S2	ZINC000064453949	184297517	/nfs/dbraw/zinc/29/75/17/184297517.db2.gz	VTUGAMQEFAWJOJ-UHFFFAOYSA-O	1	0	307.442	5.136	1	0		DKAFRO
C[NH+](C)CC/C=C1/c2ccccc2C=Cc2c(Cl)cccc21	ZINC000064485882	184298667	/nfs/dbraw/zinc/29/86/67/184298667.db2.gz	CIJZZDZBEYSMSG-YVLHZVERSA-N	1	0	309.840	5.207	1	0		DKAFRO
C[NH+](C)CC/C=C1\c2ccccc2C=Cc2c(Cl)cccc21	ZINC000064485883	184298471	/nfs/dbraw/zinc/29/84/71/184298471.db2.gz	CIJZZDZBEYSMSG-LICLKQGHSA-N	1	0	309.840	5.207	1	0		DKAFRO
CCCCCCNc1c2cc(OC)ccc2[nH+]c2c1CCCC2	ZINC000064540711	184299118	/nfs/dbraw/zinc/29/91/18/184299118.db2.gz	FHJNAXWWTVBTEP-UHFFFAOYSA-N	1	0	312.457	5.114	1	0	in-vivo	DKAFRO
CC(C)C1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(N)c3[C@H](C1)C2	ZINC000066077964	184387684	/nfs/dbraw/zinc/38/76/84/184387684.db2.gz	GMGKRVAYONOOPK-AAEUAGOBSA-N	1	0	312.844	5.103	1	0		DKAFRO
CC(C)C1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(N)c3[C@@H](C1)C2	ZINC000066077967	184387464	/nfs/dbraw/zinc/38/74/64/184387464.db2.gz	GMGKRVAYONOOPK-DGCLKSJQSA-N	1	0	312.844	5.103	1	0		DKAFRO
CC(C)C[C@H]([NH3+])C1(c2ccc(Cl)c(Cl)c2)CCCCC1	ZINC000066097281	184388765	/nfs/dbraw/zinc/38/87/65/184388765.db2.gz	CDXVXAPUCWBZKN-INIZCTEOSA-N	1	0	314.300	5.569	1	0		DKAFRO
CC(C)C[C@@H]([NH3+])C1(c2ccc(Cl)c(Cl)c2)CCCCC1	ZINC000066097282	184388433	/nfs/dbraw/zinc/38/84/33/184388433.db2.gz	CDXVXAPUCWBZKN-MRXNPFEDSA-N	1	0	314.300	5.569	1	0		DKAFRO
C[NH+](C)[C@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000066100518	184389353	/nfs/dbraw/zinc/38/93/53/184389353.db2.gz	DVCQRBZBVYAGNZ-GOEBONIOSA-N	1	0	320.263	5.002	1	0		DKAFRO
Nc1[nH+]c(-c2ccccc2)c(-c2ccccc2)n1C1CCCCC1	ZINC000066100919	184389396	/nfs/dbraw/zinc/38/93/96/184389396.db2.gz	QCRPYGXCYRMJBA-UHFFFAOYSA-N	1	0	317.436	5.305	1	0		DKAFRO
C[NH+](C)[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000066103116	184389732	/nfs/dbraw/zinc/38/97/32/184389732.db2.gz	DVCQRBZBVYAGNZ-HOCLYGCPSA-N	1	0	320.263	5.002	1	0		DKAFRO
C[NH+](C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000066103119	184389643	/nfs/dbraw/zinc/38/96/43/184389643.db2.gz	DVCQRBZBVYAGNZ-GDBMZVCRSA-N	1	0	320.263	5.002	1	0		DKAFRO
Nc1[nH+]cc(-c2ccc(Cl)cc2)n1C1CCCCCCC1	ZINC000066103479	184389465	/nfs/dbraw/zinc/38/94/65/184389465.db2.gz	WWKULPIPMGAQFZ-UHFFFAOYSA-N	1	0	303.837	5.071	1	0		DKAFRO
Nc1[nH+]cc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCC1	ZINC000066103523	184389735	/nfs/dbraw/zinc/38/97/35/184389735.db2.gz	HSEJIVFRZAZKHO-UHFFFAOYSA-N	1	0	317.436	5.305	1	0		DKAFRO
[NH3+]CC[C@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000066104718	184389511	/nfs/dbraw/zinc/38/95/11/184389511.db2.gz	SNDGNPRZZZPUAX-BLLLJJGKSA-N	1	0	320.263	5.037	1	0		DKAFRO
C[C@H]([NH+](C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1	ZINC000066112415	184390575	/nfs/dbraw/zinc/39/05/75/184390575.db2.gz	OBWKCACUZGJXHN-LBPRGKRZSA-N	1	0	300.273	5.145	1	0		DKAFRO
C[C@@H]([NH+](C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1	ZINC000066112416	184390818	/nfs/dbraw/zinc/39/08/18/184390818.db2.gz	OBWKCACUZGJXHN-GFCCVEGCSA-N	1	0	300.273	5.145	1	0		DKAFRO
CCCCCCn1c(N)[nH+]cc1-c1ccc(-c2ccccc2)cc1	ZINC000066113373	184390441	/nfs/dbraw/zinc/39/04/41/184390441.db2.gz	VYHDEWFTHFXCON-UHFFFAOYSA-N	1	0	319.452	5.380	1	0		DKAFRO
CC[N@H+](C)CC1(c2ccc(Cl)c(Cl)c2)CCCCC1	ZINC000066136522	184391826	/nfs/dbraw/zinc/39/18/26/184391826.db2.gz	ZZRHLICOWQQNJL-UHFFFAOYSA-N	1	0	300.273	5.147	1	0		DKAFRO
CC[NH+](CC)CC1(c2ccc(Cl)c(Cl)c2)CCCCC1	ZINC000066136527	184391710	/nfs/dbraw/zinc/39/17/10/184391710.db2.gz	ZXAIYPYVRUXIRT-UHFFFAOYSA-N	1	0	314.300	5.537	1	0		DKAFRO
Clc1ccc(C2(C[NH+]3CCCC3)CCCCC2)cc1Cl	ZINC000066136528	184391843	/nfs/dbraw/zinc/39/18/43/184391843.db2.gz	YWOVEHIRDVATGZ-UHFFFAOYSA-N	1	0	312.284	5.291	1	0		DKAFRO
CC[NH+](CC)CCCC(c1ccc(F)cc1)c1ccc(F)cc1	ZINC000066157565	184393768	/nfs/dbraw/zinc/39/37/68/184393768.db2.gz	SFITZYZIILNQBN-UHFFFAOYSA-N	1	0	317.423	5.219	1	0		DKAFRO
c1ccc2c(c1)-c1ccccc1C2C[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000071295804	190954372	/nfs/dbraw/zinc/95/43/72/190954372.db2.gz	RPFNYEOSOUTFMU-UZUQRXQVSA-N	1	0	317.476	5.454	1	0		DKAFRO
CCCCOc1cccc(C2([NH+]3CCCCC3)CCCCC2)c1	ZINC000071330848	190959322	/nfs/dbraw/zinc/95/93/22/190959322.db2.gz	CEBHOGXHBHHBFQ-UHFFFAOYSA-N	1	0	315.501	5.511	1	0		DKAFRO
CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccc(Cl)cc2)n1	ZINC000072102295	191037100	/nfs/dbraw/zinc/03/71/00/191037100.db2.gz	LOJMUTSAGSEHIX-ZDUSSCGKSA-N	1	0	306.837	5.053	1	0		DKAFRO
CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc3ccccc3c2)n1	ZINC000072103269	191037042	/nfs/dbraw/zinc/03/70/42/191037042.db2.gz	GNULGUBGWWQRMO-MRXNPFEDSA-N	1	0	322.452	5.553	1	0		DKAFRO
CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccc3ccccc3c2)n1	ZINC000072103270	191036831	/nfs/dbraw/zinc/03/68/31/191036831.db2.gz	GNULGUBGWWQRMO-INIZCTEOSA-N	1	0	322.452	5.553	1	0		DKAFRO
CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(Cl)cc2)n1	ZINC000072103852	191036866	/nfs/dbraw/zinc/03/68/66/191036866.db2.gz	LOJMUTSAGSEHIX-CYBMUJFWSA-N	1	0	306.837	5.053	1	0		DKAFRO
C[C@H]([NH2+]Cc1coc(-c2ccc(Cl)cc2)n1)C1CCCCC1	ZINC000072103875	191037212	/nfs/dbraw/zinc/03/72/12/191037212.db2.gz	IBOODOFWDACAFG-ZDUSSCGKSA-N	1	0	318.848	5.053	1	0		DKAFRO
C(=C/c1cc[n+](C2CCCCC2)cc1)\c1c[nH]c2ccccc12	ZINC000072141301	191050068	/nfs/dbraw/zinc/05/00/68/191050068.db2.gz	CGAZRLMEGUXHLJ-UHFFFAOYSA-O	1	0	303.429	5.131	1	0		DKAFRO
CCCCC[C@@H](C)[NH2+]Cc1coc(-c2cccc(Cl)c2)n1	ZINC000072180556	191072076	/nfs/dbraw/zinc/07/20/76/191072076.db2.gz	ODGJLBTXHZARBD-CYBMUJFWSA-N	1	0	306.837	5.053	1	0		DKAFRO
CCCCC[C@H](C)[NH2+]Cc1coc(-c2cccc(Cl)c2)n1	ZINC000072180557	191072586	/nfs/dbraw/zinc/07/25/86/191072586.db2.gz	ODGJLBTXHZARBD-ZDUSSCGKSA-N	1	0	306.837	5.053	1	0		DKAFRO
CCCCC[C@@H](C)[NH2+]Cc1nc(-c2ccc(C)cc2)oc1C	ZINC000072180914	191072203	/nfs/dbraw/zinc/07/22/03/191072203.db2.gz	VNXOXYMKFZZTSK-OAHLLOKOSA-N	1	0	300.446	5.017	1	0		DKAFRO
CCCCC[C@@H](C)[NH2+]Cc1nc(-c2cccc(C)c2)oc1C	ZINC000072181579	191071773	/nfs/dbraw/zinc/07/17/73/191071773.db2.gz	AHBFJVNYUIIYJH-OAHLLOKOSA-N	1	0	300.446	5.017	1	0		DKAFRO
CCCCC[C@H](C)[NH2+]Cc1nc(-c2cccc(C)c2)oc1C	ZINC000072181580	191072630	/nfs/dbraw/zinc/07/26/30/191072630.db2.gz	AHBFJVNYUIIYJH-HNNXBMFYSA-N	1	0	300.446	5.017	1	0		DKAFRO
CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccccc2Cl)n1	ZINC000072182115	191071690	/nfs/dbraw/zinc/07/16/90/191071690.db2.gz	KCTFOGZADPYVLN-CYBMUJFWSA-N	1	0	306.837	5.053	1	0		DKAFRO
CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccccc2Cl)n1	ZINC000072182116	191072051	/nfs/dbraw/zinc/07/20/51/191072051.db2.gz	KCTFOGZADPYVLN-ZDUSSCGKSA-N	1	0	306.837	5.053	1	0		DKAFRO
CCCCCC[C@@H](C)[NH2+]Cc1coc(-c2cccc(C)c2)n1	ZINC000072182152	191072117	/nfs/dbraw/zinc/07/21/17/191072117.db2.gz	OOGNVZWKWVTUCQ-MRXNPFEDSA-N	1	0	300.446	5.099	1	0		DKAFRO
CCCCCC[C@H](C)[NH2+]Cc1coc(-c2cccc(C)c2)n1	ZINC000072182153	191072032	/nfs/dbraw/zinc/07/20/32/191072032.db2.gz	OOGNVZWKWVTUCQ-INIZCTEOSA-N	1	0	300.446	5.099	1	0		DKAFRO
CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(C)c(C)c2)n1	ZINC000072182260	191072570	/nfs/dbraw/zinc/07/25/70/191072570.db2.gz	JEIUDVHOFXXHNO-MRXNPFEDSA-N	1	0	300.446	5.017	1	0		DKAFRO
CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccc(C)c(C)c2)n1	ZINC000072182261	191071905	/nfs/dbraw/zinc/07/19/05/191071905.db2.gz	JEIUDVHOFXXHNO-INIZCTEOSA-N	1	0	300.446	5.017	1	0		DKAFRO
CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccc(C(C)C)cc2)n1	ZINC000072182921	191072651	/nfs/dbraw/zinc/07/26/51/191072651.db2.gz	SXPFSRKAWNPFBJ-INIZCTEOSA-N	1	0	314.473	5.523	1	0		DKAFRO
C[C@@H]([NH2+]Cc1coc(-c2ccc(Cl)cc2)n1)C1CCCCC1	ZINC000072182934	191072458	/nfs/dbraw/zinc/07/24/58/191072458.db2.gz	IBOODOFWDACAFG-CYBMUJFWSA-N	1	0	318.848	5.053	1	0		DKAFRO
CC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2cccc3ccccc32)n1	ZINC000072185171	191073816	/nfs/dbraw/zinc/07/38/16/191073816.db2.gz	OBSZSCOOADTJAV-GOSISDBHSA-N	1	0	320.436	5.259	1	0		DKAFRO
CC[C@H]1CCCC[N@@H+]1Cc1coc(-c2cccc3ccccc32)n1	ZINC000072185172	191073122	/nfs/dbraw/zinc/07/31/22/191073122.db2.gz	OBSZSCOOADTJAV-SFHVURJKSA-N	1	0	320.436	5.259	1	0		DKAFRO
CCCCC[C@@H](C)[NH2+]Cc1coc(-c2cccc3ccccc32)n1	ZINC000072185799	191073163	/nfs/dbraw/zinc/07/31/63/191073163.db2.gz	UQNNQPCEDYJTAL-MRXNPFEDSA-N	1	0	322.452	5.553	1	0		DKAFRO
CCCCC[C@H](C)[NH2+]Cc1coc(-c2cccc3ccccc32)n1	ZINC000072185800	191073322	/nfs/dbraw/zinc/07/33/22/191073322.db2.gz	UQNNQPCEDYJTAL-INIZCTEOSA-N	1	0	322.452	5.553	1	0		DKAFRO
C/C(=C\C[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1	ZINC000073157986	191285625	/nfs/dbraw/zinc/28/56/25/191285625.db2.gz	MOWWHGHVCNLNNH-XDHOZWIPSA-N	1	0	305.465	5.045	1	0		DKAFRO
CC12C[C@@H]3CC([NH2+]Cc4ccccc4)(C[C@H](C1)c1ccccc13)C2	ZINC000073224803	191295570	/nfs/dbraw/zinc/29/55/70/191295570.db2.gz	LULXDEUEQLTPKH-MGAZVUHYSA-N	1	0	317.476	5.380	1	0		DKAFRO
CC1(C)CCC[N@H+](CCCC[C@@H]2CCCCc3ccccc32)C1	ZINC000073258774	191296644	/nfs/dbraw/zinc/29/66/44/191296644.db2.gz	SSTGIUUHXOLCLZ-FQEVSTJZSA-N	1	0	313.529	5.789	1	0		DKAFRO
CC1(C)CCC[N@H+](CCCC[C@H]2CCCCc3ccccc32)C1	ZINC000073258775	191297333	/nfs/dbraw/zinc/29/73/33/191297333.db2.gz	SSTGIUUHXOLCLZ-HXUWFJFHSA-N	1	0	313.529	5.789	1	0		DKAFRO
CC1(C)CCC[N@H+](CCCCC[C@@H]2CCCc3sccc32)C1	ZINC000073292235	191301437	/nfs/dbraw/zinc/30/14/37/191301437.db2.gz	VKROAKZDLKAALG-QGZVFWFLSA-N	1	0	319.558	5.850	1	0		DKAFRO
CC1(C)CCC[N@H+](CCCCC[C@H]2CCCc3sccc32)C1	ZINC000073292238	191301329	/nfs/dbraw/zinc/30/13/29/191301329.db2.gz	VKROAKZDLKAALG-KRWDZBQOSA-N	1	0	319.558	5.850	1	0		DKAFRO
CCCCCc1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1	ZINC000082158182	185173952	/nfs/dbraw/zinc/17/39/52/185173952.db2.gz	ALBOXFYBXJYSKU-UHFFFAOYSA-N	1	0	321.508	6.072	1	0		DKAFRO
CCCC[C@@H](c1ccc(-c2ccc(C)cc2)cc1)[NH+]1CCCCC1	ZINC000082158183	185174191	/nfs/dbraw/zinc/17/41/91/185174191.db2.gz	DJBSYJYFVKILBB-QHCPKHFHSA-N	1	0	321.508	6.379	1	0		DKAFRO
CCCC[C@H](c1ccc(-c2ccc(C)cc2)cc1)[NH+]1CCCCC1	ZINC000082158184	185174146	/nfs/dbraw/zinc/17/41/46/185174146.db2.gz	DJBSYJYFVKILBB-HSZRJFAPSA-N	1	0	321.508	6.379	1	0		DKAFRO
[NH3+]C[C@@H](c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1	ZINC000084739309	192464170	/nfs/dbraw/zinc/46/41/70/192464170.db2.gz	IPGVYJKTNIAHAF-HXUWFJFHSA-N	1	0	307.824	5.098	1	0		DKAFRO
[NH3+]C[C@H](c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1	ZINC000084739311	192464404	/nfs/dbraw/zinc/46/44/04/192464404.db2.gz	IPGVYJKTNIAHAF-FQEVSTJZSA-N	1	0	307.824	5.098	1	0		DKAFRO
C[N@H+](Cc1ccc(Cl)c(Cl)c1)CC1=CC[C@H]2C[C@@H]1C2(C)C	ZINC000095561514	185379995	/nfs/dbraw/zinc/37/99/95/185379995.db2.gz	VDKDUEDSYKCIRI-GJZGRUSLSA-N	1	0	324.295	5.418	1	0		DKAFRO
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C(=O)[C@@H]([NH+](C)C)CC[C@]12C	ZINC000095587950	185381419	/nfs/dbraw/zinc/38/14/19/185381419.db2.gz	YMQCZRKSSONZHE-IAVZTARUSA-N	1	0	321.549	5.165	1	0		DKAFRO
CC[NH2+][C@H]1CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@]2(C)[C@H]1O	ZINC000095592442	193446553	/nfs/dbraw/zinc/44/65/53/193446553.db2.gz	BCTHGKAHKJKJRU-OUCVULTDSA-N	1	0	323.565	5.004	1	0		DKAFRO
CC(C)(C)c1ccc(-c2cccc3c(CC(N)=[NH2+])cccc23)cc1	ZINC000095596427	193447575	/nfs/dbraw/zinc/44/75/75/193447575.db2.gz	KUSWLBZXMOUKRL-UHFFFAOYSA-N	1	0	316.448	5.283	1	0		DKAFRO
CC(C)(C)c1ccc(-c2cccc3c(CC[NH3+])cccc23)cc1	ZINC000095598100	185382523	/nfs/dbraw/zinc/38/25/23/185382523.db2.gz	PRMFREOOHKEFFH-UHFFFAOYSA-N	1	0	303.449	5.306	1	0		DKAFRO
CC(C)(C)c1ccc(-c2ccc(CC[NH3+])c3ccccc23)cc1	ZINC000095598217	185382422	/nfs/dbraw/zinc/38/24/22/185382422.db2.gz	MUYSSZRDFZCAKQ-UHFFFAOYSA-N	1	0	303.449	5.306	1	0		DKAFRO
COc1ccc2c(cccc2CCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1	ZINC000095598677	185382407	/nfs/dbraw/zinc/38/24/07/185382407.db2.gz	QSPHAJUKYLFJDI-CALCHBBNSA-N	1	0	311.469	5.044	1	0		DKAFRO
COc1ccc2c(c1)CCC[C@H]2CCC[N@H+]1[C@H](C)CCC[C@@H]1C	ZINC000095598691	185382342	/nfs/dbraw/zinc/38/23/42/185382342.db2.gz	MFGCPZIABQRQMH-KSZLIROESA-N	1	0	315.501	5.158	1	0		DKAFRO
COc1ccc2c(c1)CCC[C@@H]2CCC[N@H+]1[C@H](C)CCC[C@@H]1C	ZINC000095598692	185382475	/nfs/dbraw/zinc/38/24/75/185382475.db2.gz	MFGCPZIABQRQMH-FGTMMUONSA-N	1	0	315.501	5.158	1	0		DKAFRO
COc1ccc(C[N@H+](C)[C@H](C)c2cccc3ccccc32)cc1	ZINC000096929790	185392246	/nfs/dbraw/zinc/39/22/46/185392246.db2.gz	SQLDYGSXWIBJPM-MRXNPFEDSA-N	1	0	305.421	5.041	1	0		DKAFRO
CC1(C)c2ccccc2[NH+]=C1/C=C/c1ccc(C(F)(F)F)cc1	ZINC000096934718	185392859	/nfs/dbraw/zinc/39/28/59/185392859.db2.gz	CJHNERWTOBGUDV-FMIVXFBMSA-N	1	0	315.338	5.783	1	0		DKAFRO
CC1(C)c2ccccc2[NH+]=C1/C=C/c1cccc(C(F)(F)F)c1	ZINC000096934722	185392640	/nfs/dbraw/zinc/39/26/40/185392640.db2.gz	PMWAGFALGSYUIT-ZHACJKMWSA-N	1	0	315.338	5.783	1	0		DKAFRO
Cn1cc(/C=C/C2=[NH+]c3ccccc3C2(C)C)c2ccccc21	ZINC000096934725	185392867	/nfs/dbraw/zinc/39/28/67/185392867.db2.gz	DTUGBIJFNCOBFH-OUKQBFOZSA-N	1	0	300.405	5.255	1	0		DKAFRO
COc1ccc2[nH]cc(/C=C/C3=[NH+]c4ccccc4C3(C)C)c2c1	ZINC000096934728	185392705	/nfs/dbraw/zinc/39/27/05/185392705.db2.gz	BPRXYHJNWGWJQU-DHZHZOJOSA-N	1	0	316.404	5.254	1	0		DKAFRO
Cc1[nH]c2ccccc2c1/C=C/C1=[NH+]c2ccccc2C1(C)C	ZINC000096934729	185392795	/nfs/dbraw/zinc/39/27/95/185392795.db2.gz	OJTOZPNKYBRDMH-OUKQBFOZSA-N	1	0	300.405	5.553	1	0		DKAFRO
CC1(C)c2ccccc2[NH+]=C1/C=C/c1c[nH]c2cc(F)ccc12	ZINC000096934730	185392650	/nfs/dbraw/zinc/39/26/50/185392650.db2.gz	FPFNQLJZCVWEIP-JXMROGBWSA-N	1	0	304.368	5.384	1	0		DKAFRO
Cc1ccc2[nH]cc(/C=C/C3=[NH+]c4ccccc4C3(C)C)c2c1	ZINC000096934732	185392654	/nfs/dbraw/zinc/39/26/54/185392654.db2.gz	KLBYJVZBCDOWHW-PKNBQFBNSA-N	1	0	300.405	5.553	1	0		DKAFRO
Cc1c(/C=C/C2=[NH+]c3ccccc3C2(C)C)c2ccccc2n1C	ZINC000096934734	185392801	/nfs/dbraw/zinc/39/28/01/185392801.db2.gz	TYRLDTZNDHYFOK-BUHFOSPRSA-N	1	0	314.432	5.564	1	0		DKAFRO
CC1(C)c2ccccc2[NH+]=C1/C=C/c1c[nH]c2cc(Cl)ccc12	ZINC000096934736	185392742	/nfs/dbraw/zinc/39/27/42/185392742.db2.gz	FHRXFCKOKIOECG-JXMROGBWSA-N	1	0	320.823	5.898	1	0		DKAFRO
Fc1ccc2[nH]cc([C@H]3CC[C@H]([NH2+]Cc4ccccc4)CC3)c2c1	ZINC000100806718	193804885	/nfs/dbraw/zinc/80/48/85/193804885.db2.gz	CHWIMFANHDVISE-MAEOIBBWSA-N	1	0	322.427	5.123	1	0		DKAFRO
Fc1ccc2[nH]cc([C@H]3CC[C@@H]([NH2+]Cc4ccccc4)CC3)c2c1	ZINC000100890169	193805637	/nfs/dbraw/zinc/80/56/37/193805637.db2.gz	CHWIMFANHDVISE-SAABIXHNSA-N	1	0	322.427	5.123	1	0		DKAFRO
Cc1ccc2c(c1)c1c(n2CCC[NH2+]C2CCCCC2)CCCC1	ZINC000103298732	185445368	/nfs/dbraw/zinc/44/53/68/185445368.db2.gz	MUJNAWXXOJRNGK-UHFFFAOYSA-N	1	0	324.512	5.141	1	0		DKAFRO
C[N@@H+]1CCC[C@@H]1c1ccc([C@H](c2ccccc2)C2CCCCC2)o1	ZINC000195188978	201355935	/nfs/dbraw/zinc/35/59/35/201355935.db2.gz	WHZBQLWHOPDIPC-DENIHFKCSA-N	1	0	323.480	5.759	1	0		DKAFRO
CCC1=C/C(=C/c2sc3ccccc3[n+]2CC)CC(C)(C)C1	ZINC000004133424	181077637	/nfs/dbraw/zinc/07/76/37/181077637.db2.gz	MNHVMXKRZPGOIJ-VBKFSLOCSA-N	1	0	312.502	5.749	3	0		DKAFRO