smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314)C(=O)OC	ZINC000013730981	563001762	/nfs/dbraw/zinc/00/17/62/563001762.db2.gz	CLLKOUBFCBEXLC-CKZJNZIISA-N	1	0	439.508	1.928	1	30		IDEFRO
C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)C[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000027104318	563039816	/nfs/dbraw/zinc/03/98/16/563039816.db2.gz	YAGNUGFFENXVOH-DNVCBOLYSA-N	1	0	435.484	1.386	1	30		IDEFRO
CCCOC(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000027897974	563048166	/nfs/dbraw/zinc/04/81/66/563048166.db2.gz	IZQOMZJOULTUPN-KRWDZBQOSA-N	1	0	449.577	1.560	1	30		IDEFRO
C[C@H](CCCNC(N)=[NH2+])[C@@H](C)C(=O)OCCCCCn1cnc2c1ncnc2N(C)C	ZINC000029558112	563082207	/nfs/dbraw/zinc/08/22/07/563082207.db2.gz	GPRRYVFIFVWMBF-HZPDHXFCSA-N	1	0	432.573	1.932	1	30		IDEFRO
C[N@@H+]1CC2(CC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1	ZINC000040973623	563115007	/nfs/dbraw/zinc/11/50/07/563115007.db2.gz	HJNKYGBTSGQBDU-HOCLYGCPSA-N	1	0	441.454	1.355	1	30		IDEFRO
C[N@@H+]1CC[C@@]23c4c5c(Oc6nnnn6-c6ccccc6)ccc4C[C@@H]1[C@]2(O)C=CC(=O)[C@@H]3O5	ZINC000064380882	563152797	/nfs/dbraw/zinc/15/27/97/563152797.db2.gz	RIFPYCYOYIUHHD-QOFIPBISSA-N	1	0	443.463	1.584	1	30		IDEFRO
C=C1C=C(C(=O)OCC)Oc2cc3c(c(OCCCNC(N)=[NH2+])c21)C[C@@H](C(C)(C)O)O3	ZINC000085595066	291319246	/nfs/dbraw/zinc/31/92/46/291319246.db2.gz	BOHHLTDVZJMKLC-KRWDZBQOSA-N	1	0	431.489	1.656	1	30	biogenic,in-vitro	IDEFRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1	ZINC000027109223	563040018	/nfs/dbraw/zinc/04/00/18/563040018.db2.gz	CGENWDOYYQOAHX-IBGZPJMESA-N	1	0	435.484	1.530	1	30		IDEFRO
CCn1c(-c2nonc2N)nc2c1c(OCC1CC[NH2+]CC1)cnc2C#CC(C)(C)O	ZINC000040954431	563114502	/nfs/dbraw/zinc/11/45/02/563114502.db2.gz	NTPAYIOIMIUCMN-UHFFFAOYSA-N	1	0	425.493	1.584	1	30		IDEFRO
C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)C[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000027104331	563039799	/nfs/dbraw/zinc/03/97/99/563039799.db2.gz	YAGNUGFFENXVOH-KXBFYZLASA-N	1	0	435.484	1.386	1	30		IDEFRO
CC1CCN(C(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2cccc3c2CCCC3)CC1	ZINC000027901417	563048370	/nfs/dbraw/zinc/04/83/70/563048370.db2.gz	ZPJLYUUNBMMRRQ-IBGZPJMESA-N	1	0	449.621	1.524	1	30		IDEFRO
CCCCN(C)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1ccc2ccccc2c1	ZINC000027984557	563048776	/nfs/dbraw/zinc/04/87/76/563048776.db2.gz	CKKHVYHNSRGHEX-LJQANCHMSA-N	1	0	433.578	1.799	1	30		IDEFRO
CC#CCn1c(N2CC[NH2+]CC2)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21	ZINC000029045036	563072481	/nfs/dbraw/zinc/07/24/81/563072481.db2.gz	KCLCDRRJZBNLBW-UHFFFAOYSA-N	1	0	428.500	1.326	1	30		IDEFRO
CO[C@@H]1CN(c2ccc(C#C[C@@]3(O)C[NH+]4CCC3CC4)c(Cc3ccccc3)n2)C[C@H]1O	ZINC000033989718	563085226	/nfs/dbraw/zinc/08/52/26/563085226.db2.gz	NDEOTZXSBKCQLS-DGWZTRNLSA-N	1	0	433.552	1.677	1	30		IDEFRO
COc1ccc([C@H]2C[C@@H]2NC(=O)CC(C)(C)[NH2+]CC(=O)N2CCC[C@H]2C#N)cc1OC	ZINC000040900691	563110940	/nfs/dbraw/zinc/11/09/40/563110940.db2.gz	ABIMHEGUHGJRNG-KSZLIROESA-N	1	0	428.533	1.949	1	30		IDEFRO
CN(C)S(=O)(=O)c1ccc2nc(/C(Cl)=N/OC[C@H](O)C[NH+]3CCCCC3)oc2c1	ZINC000043059718	563117521	/nfs/dbraw/zinc/11/75/21/563117521.db2.gz	GGLOOTNKQPRWNL-PWNVGIJBSA-N	1	0	444.941	1.842	1	30		IDEFRO
CC[NH+](CC)CCn1cnc2cc(C(=O)NC(=O)NCCCCCC(=O)NO)ccc21	ZINC000049045286	563136570	/nfs/dbraw/zinc/13/65/70/563136570.db2.gz	MZMRHGDCPYWCCN-UHFFFAOYSA-N	1	0	432.525	1.883	1	30		IDEFRO
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC[NH+](C)C	ZINC000027086499	563039168	/nfs/dbraw/zinc/03/91/68/563039168.db2.gz	ZSIVINXRWAOYGT-UZLBHIALSA-N	1	0	445.564	1.431	1	30		IDEFRO
N#Cc1ccccc1OC[C@H](O)C[NH2+]CCC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1	ZINC000027109226	563039999	/nfs/dbraw/zinc/03/99/99/563039999.db2.gz	CGENWDOYYQOAHX-LJQANCHMSA-N	1	0	435.484	1.530	1	30		IDEFRO
CC(C)NC(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000027894673	563048079	/nfs/dbraw/zinc/04/80/79/563048079.db2.gz	PNWUCWZUODEURE-KRWDZBQOSA-N	1	0	448.593	1.131	1	30		IDEFRO
CCOC(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000027897986	563048189	/nfs/dbraw/zinc/04/81/89/563048189.db2.gz	CXGVRHOLUQFKIH-INIZCTEOSA-N	1	0	435.550	1.169	1	30		IDEFRO
CCCCN(C)C(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2ccccc21	ZINC000027984462	563048779	/nfs/dbraw/zinc/04/87/79/563048779.db2.gz	NVXUNMKUFNIQSP-SFHVURJKSA-N	1	0	433.578	1.799	1	30		IDEFRO
CN(CCc1ccccc1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028244894	563052116	/nfs/dbraw/zinc/05/21/16/563052116.db2.gz	CTMSZHSGLSPTKS-HSALFYBXSA-N	1	0	429.565	1.231	1	30		IDEFRO
CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1cc2c(/C=N/OCC[NH3+])cccc2nc1-3	ZINC000029048164	563072766	/nfs/dbraw/zinc/07/27/66/563072766.db2.gz	JPNPLZAHDZEGPI-UVOOVGFISA-N	1	0	434.452	1.389	1	30		IDEFRO
COc1ccccc1N1CCN(C(=[NH2+])NCCNS(=O)(=O)c2cccc(C)c2)CC1	ZINC000043016107	563116860	/nfs/dbraw/zinc/11/68/60/563116860.db2.gz	NAWQSVHSFGBZLN-UHFFFAOYSA-N	1	0	431.562	1.419	1	30		IDEFRO
COc1cc(N2CCN(CC[NH2+]CC(=O)N3CCC[C@@H]3C#N)C2=O)cc(OC)c1OC	ZINC000043019588	563117113	/nfs/dbraw/zinc/11/71/13/563117113.db2.gz	QFZXJLLJUFNYDK-OAHLLOKOSA-N	1	0	431.493	1.059	1	30		IDEFRO
[NH3+][C@H](Cc1ccccc1)C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)NO	ZINC000071318288	563162057	/nfs/dbraw/zinc/16/20/57/563162057.db2.gz	YGHNIVJEKSKDJB-WOJBJXKFSA-N	1	0	442.516	1.643	1	30		IDEFRO
C[n+]1c2ccccc2c(N[C@H](CS)C(=O)[O-])c2cccc(C(=O)NCC[NH+](C)C)c21	ZINC000005579275	562944235	/nfs/dbraw/zinc/94/42/35/562944235.db2.gz	SCAXZHPRONEUOU-QGZVFWFLSA-O	1	0	427.550	1.904	1	30		IDEFRO
CC1CCN(C(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000026260508	563030249	/nfs/dbraw/zinc/03/02/49/563030249.db2.gz	PXJYHBGLVOUKAU-FQEVSTJZSA-N	1	0	445.589	1.799	1	30		IDEFRO
CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCCC[NH3+])cc2)[C@H]1C(=O)NO	ZINC000028572059	563059488	/nfs/dbraw/zinc/05/94/88/563059488.db2.gz	YTTGWCXMRQNZJI-KRWDZBQOSA-N	1	0	441.575	1.198	1	30		IDEFRO
COc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2cncn2Cc2ccc(C#N)cc2)C1=O	ZINC000040410475	563101738	/nfs/dbraw/zinc/10/17/38/563101738.db2.gz	WSZPVEPHZIBFKY-HXUWFJFHSA-N	1	0	430.468	1.738	1	30		IDEFRO
CC(=S)NC[C@H]1CN(c2cc(F)c(N3CCN(CC(=[NH2+])NO)CC3)c(F)c2)C(=O)O1	ZINC000040565255	563104801	/nfs/dbraw/zinc/10/48/01/563104801.db2.gz	XASWSMLSSWHAIQ-ZDUSSCGKSA-N	1	0	442.492	1.716	1	30		IDEFRO
CCC/[NH+]=C1\N(CC)C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C(=O)OC)N12	ZINC000061942224	563150945	/nfs/dbraw/zinc/15/09/45/563150945.db2.gz	UFKPDYNJEJWRIS-YJVYTKLHSA-N	1	0	426.517	1.505	3	30		IDEFRO
C=C(COc1ccc2c3c1O[C@H]1[C@H](O)CC[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314)C(=O)OC	ZINC000013730990	563001833	/nfs/dbraw/zinc/00/18/33/563001833.db2.gz	UKONENWNLPVMFY-SZSHLTAVSA-N	1	0	441.524	1.720	1	30		IDEFRO
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCC[NH3+]	ZINC000026026384	563028812	/nfs/dbraw/zinc/02/88/12/563028812.db2.gz	DTEFBPAMWVQCIX-ACRUOGEOSA-N	1	0	432.565	1.077	1	30		IDEFRO
CN(OCCNC(=O)Cc1c(C#N)ccc(NCC(F)(F)c2ccccn2)c1F)C(N)=[NH2+]	ZINC000029043461	563072355	/nfs/dbraw/zinc/07/23/55/563072355.db2.gz	PHNFOCOXXDNXLI-UHFFFAOYSA-N	1	0	449.437	1.712	1	30		IDEFRO
C=CCc1ccc(OCC(=O)NC[C@H](O)CNC(=O)C2=CC(C)(C)[NH2+]C2(C)C)c(OC)c1	ZINC000040503576	563104140	/nfs/dbraw/zinc/10/41/40/563104140.db2.gz	XQKMLEICELIJSV-KRWDZBQOSA-N	1	0	445.560	1.483	1	30		IDEFRO
COc1ccc(NS(=O)(=O)c2cccc(NC(=O)C[n+]3cccc(C(N)=O)c3)c2)cc1	ZINC000049807842	563140232	/nfs/dbraw/zinc/14/02/32/563140232.db2.gz	PZOXEAALBHIFDS-UHFFFAOYSA-O	1	0	441.489	1.521	1	30		IDEFRO
CCOC(=O)[C@H]1O[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]3CC1CC1)[C@H]2O5	ZINC000058538047	563144145	/nfs/dbraw/zinc/14/41/45/563144145.db2.gz	LRXVHEQUQAIGOG-RKJKNZIMSA-N	1	0	427.497	1.657	1	30		IDEFRO
C#CCN1c2ccccc2[C@@]2(C1=O)[N@@H+](C)C[C@H](c1ccccc1O)[C@]21CC(=O)N(C)C1=O	ZINC000058576144	563144877	/nfs/dbraw/zinc/14/48/77/563144877.db2.gz	CYJXGQIHWLEYRF-YWWLGCSWSA-N	1	0	429.476	1.672	1	30		IDEFRO
CC#CCOc1ccc(S(=O)(=O)N[C@@H](C(=O)NO)c2ccc(OCC[NH2+]C)cc2)cc1	ZINC000013537421	562992519	/nfs/dbraw/zinc/99/25/19/562992519.db2.gz	BTZMVJPRQAIPRP-HXUWFJFHSA-N	1	0	447.513	1.212	1	30		IDEFRO
CCc1cc(-c2ccccc2)cc(CC)[n+]1CC(=O)N=c1sc(S(N)(=O)=O)nn1C	ZINC000013804386	563008353	/nfs/dbraw/zinc/00/83/53/563008353.db2.gz	FDHBUMXEERWSFK-ZBJSNUHESA-N	1	0	446.578	1.336	1	30		IDEFRO
CC(C)NC(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000027894662	563048045	/nfs/dbraw/zinc/04/80/45/563048045.db2.gz	PNWUCWZUODEURE-QGZVFWFLSA-N	1	0	448.593	1.131	1	30		IDEFRO
CC1CCN(C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2cccc3ccccc32)CC1	ZINC000027980150	563048563	/nfs/dbraw/zinc/04/85/63/563048563.db2.gz	NPJUJMNRFLWQRY-LJQANCHMSA-N	1	0	445.589	1.799	1	30		IDEFRO
CCCCN(C)C(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1ccc2ccccc2c1	ZINC000027984562	563048790	/nfs/dbraw/zinc/04/87/90/563048790.db2.gz	CKKHVYHNSRGHEX-IBGZPJMESA-N	1	0	433.578	1.799	1	30		IDEFRO
CC#CCn1c(N2CCC[C@@H]([NH3+])C2)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21	ZINC000029045955	563072514	/nfs/dbraw/zinc/07/25/14/563072514.db2.gz	HAKJUVBTRWXTRU-QGZVFWFLSA-N	1	0	442.527	1.844	1	30		IDEFRO
CO[C@]12[C@@H]3N[C@@H]3CN1c1c(c(O)c(N=C3C=CC(=[NH2+])C=C3)c(C)c1O)[C@H]2COC(N)=O	ZINC000058500353	563143673	/nfs/dbraw/zinc/14/36/73/563143673.db2.gz	HAVDJBAPXOBCGN-RQPRICHHSA-N	1	0	425.445	1.320	1	30		IDEFRO
COCCOCCOCCOCCOCC#Cc1cncc(OC[C@@H]2CCC[N@@H+]2C)c1	ZINC000071295963	563161700	/nfs/dbraw/zinc/16/17/00/563161700.db2.gz	QSUHYQMUTYGVPW-QFIPXVFZSA-N	1	0	436.549	1.619	1	30		IDEFRO
[NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)NO	ZINC000071318287	563162063	/nfs/dbraw/zinc/16/20/63/563162063.db2.gz	YGHNIVJEKSKDJB-VQTJNVASSA-N	1	0	442.516	1.643	1	30		IDEFRO
CC[C@@]1([NH3+])CCCN(c2cc3c(c(=O)n(C)c(=O)n3C)n2Cc2cc(F)ccc2C#N)C1	ZINC000072113355	563163519	/nfs/dbraw/zinc/16/35/19/563163519.db2.gz	PNCYZOJJIHDBQW-HSZRJFAPSA-N	1	0	438.507	1.805	1	30		IDEFRO
C[NH2+]C[C@@H]1Oc2cc(C#Cc3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C	ZINC000095715952	563194371	/nfs/dbraw/zinc/19/43/71/563194371.db2.gz	VPMQAIXEGFOQHC-LZJOCLMNSA-N	1	0	429.542	1.469	1	30		IDEFRO
C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1cc([C@H]3C[C@@H]([NH+](C)C)[C@H](O)[C@@H](C)O3)ccc1C2=O	ZINC000033753241	581094784	/nfs/dbraw/zinc/09/47/84/581094784.db2.gz	NWPHOPMRDKFXFP-UJZCQMGESA-N	1	0	441.480	1.606	1	30	in-vitro	IDEFRO
Cc1cc(C)[n+](CC(=O)OCCOc2ccc3nc(S(N)(=O)=O)sc3c2)c(C)c1	ZINC000013804440	563008301	/nfs/dbraw/zinc/00/83/01/563008301.db2.gz	BSNWTBJRGJXKOF-UHFFFAOYSA-N	1	0	436.535	1.779	1	30		IDEFRO
C[NH+](C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1	ZINC000026674396	563035464	/nfs/dbraw/zinc/03/54/64/563035464.db2.gz	CPGLTYYWBQEXEK-PMACEKPBSA-N	1	0	426.517	1.104	1	30		IDEFRO
CCOC(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000027897980	563048153	/nfs/dbraw/zinc/04/81/53/563048153.db2.gz	CXGVRHOLUQFKIH-MRXNPFEDSA-N	1	0	435.550	1.169	1	30		IDEFRO
O=C(C[C@@H]1C[NH2+][C@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H](C(=O)NO)C1)N1CCCC1	ZINC000045261822	563127887	/nfs/dbraw/zinc/12/78/87/563127887.db2.gz	RTBFVYBTGAGBSP-AGHHOFFYSA-N	1	0	440.544	1.415	1	30		IDEFRO
C[C@@H]1CCC(=O)C(=O)C(=O)CCCc2cc(OCC[NH+](C)C)cc(O)c2C(=O)O[C@H]1C	ZINC000049072185	563137872	/nfs/dbraw/zinc/13/78/72/563137872.db2.gz	ZKTVYIBITZIZSJ-LVTZVRMWSA-N	1	0	433.501	1.778	1	30		IDEFRO
CO[C@@]12[C@@H]3N[C@@H]3CN1c1c(c(O)c(N=C3C=CC(=[NH2+])C=C3)c(C)c1O)[C@@H]2COC(N)=O	ZINC000053074423	563141064	/nfs/dbraw/zinc/14/10/64/563141064.db2.gz	HAVDJBAPXOBCGN-PGDDNOQISA-N	1	0	425.445	1.320	1	30		IDEFRO
CCC/[NH+]=C1\N(CC)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](Cc3ccccc3)(C(=O)OC)N12	ZINC000061942206	563150957	/nfs/dbraw/zinc/15/09/57/563150957.db2.gz	FPURVMNLEPTROQ-YJVYTKLHSA-N	1	0	426.517	1.158	3	30		IDEFRO
C[n+]1c2ccccc2c(N[C@@H](CS)C(=O)[O-])c2cccc(C(=O)NCC[NH+](C)C)c21	ZINC000073417940	563172904	/nfs/dbraw/zinc/17/29/04/563172904.db2.gz	SCAXZHPRONEUOU-KRWDZBQOSA-O	1	0	427.550	1.904	1	30		IDEFRO
CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NO	ZINC000084739744	563178969	/nfs/dbraw/zinc/17/89/69/563178969.db2.gz	PDCBRTORNXRNSI-ACRUOGEOSA-N	1	0	440.544	1.320	1	30		IDEFRO
CS(=O)(=O)N1CCCC[N@@H+]2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccn4)cc3)[C@H]2C1	ZINC000095873957	563194704	/nfs/dbraw/zinc/19/47/04/563194704.db2.gz	MFFJSVCEPIVAEO-VJBWXMMDSA-N	1	0	425.554	1.666	1	30		IDEFRO
C=C1[C@@H](O)[C@]23C[C@H]4[C@@H]5[C@]6(C)C[N@H+]4[C@@H]4[C@H]2C[C@H]1C[C@@]3(O)[C@@]45C[C@@H](OC(=O)c1ccccc1)[C@@H]6O	ZINC000095912311	291319293	/nfs/dbraw/zinc/31/92/93/291319293.db2.gz	FOIZZXKAYVIZQC-GRPOQJKGSA-N	1	0	449.547	1.744	1	30	biogenic,in-vitro	IDEFRO
C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)CC[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000027102882	563039700	/nfs/dbraw/zinc/03/97/00/563039700.db2.gz	JRTNRTZKJHSBIW-OXQOHEQNSA-N	1	0	449.511	1.776	1	30		IDEFRO
C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)C[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000027104327	563039813	/nfs/dbraw/zinc/03/98/13/563039813.db2.gz	YAGNUGFFENXVOH-BEFAXECRSA-N	1	0	435.484	1.386	1	30		IDEFRO
CC1CCN(C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2cccc3c2CCCC3)CC1	ZINC000027901414	563048340	/nfs/dbraw/zinc/04/83/40/563048340.db2.gz	ZPJLYUUNBMMRRQ-LJQANCHMSA-N	1	0	449.621	1.524	1	30		IDEFRO
CCCNC(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000027904074	563048431	/nfs/dbraw/zinc/04/84/31/563048431.db2.gz	JSTLYANOWCESGX-KRWDZBQOSA-N	1	0	448.593	1.133	1	30		IDEFRO
CCOc1ccc2c(c1)C(=NN1CC(=O)N(CCCC[NH+]3CCN(C)CC3)C1=O)CCO2	ZINC000040409142	563101492	/nfs/dbraw/zinc/10/14/92/563101492.db2.gz	HYPUHSGNLALOQK-HIXSDJFHSA-N	1	0	443.548	1.864	1	30		IDEFRO
CO[C@@]1(C(=O)c2ccccc2)NC(=O)[C@]2(OC(C[NH2+]Cc3ccccc3)=C(C)C2=O)[C@H]1O	ZINC000040423831	563102762	/nfs/dbraw/zinc/10/27/62/563102762.db2.gz	IFQNOMFPOWBEHZ-GMKZXUHWSA-N	1	0	436.464	1.105	1	30		IDEFRO
CN(C)S(=O)(=O)c1ccc2nc(/C(Cl)=N/OC[C@@H](O)C[NH+]3CCCCC3)oc2c1	ZINC000043059720	563117591	/nfs/dbraw/zinc/11/75/91/563117591.db2.gz	GGLOOTNKQPRWNL-ZCBJIMFGSA-N	1	0	444.941	1.842	1	30		IDEFRO
C[C@@H]1CCC(=O)C(=O)C(=O)CCCc2cc(N3CC[NH2+]CC3)cc(O)c2C(=O)O[C@H]1C	ZINC000049114756	563138692	/nfs/dbraw/zinc/13/86/92/563138692.db2.gz	BIVFOFJBHNICBI-QLELARBRSA-N	1	0	430.501	1.247	1	30		IDEFRO
Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C[n+]3cccc(C(N)=O)c3)c2)cc1	ZINC000049808184	563140310	/nfs/dbraw/zinc/14/03/10/563140310.db2.gz	LCGSGWLFCUVVHP-UHFFFAOYSA-O	1	0	425.490	1.821	1	30		IDEFRO
Cc1c(C(=O)NCC(C)(C)[NH2+]CC(=O)N2CCC[C@H]2C#N)cnc2cc(C(C)(C)C)nn21	ZINC000073199450	563170237	/nfs/dbraw/zinc/17/02/37/563170237.db2.gz	ONEZBKYGJZWXCN-INIZCTEOSA-N	1	0	439.564	1.948	1	30		IDEFRO
N#Cc1ccc2sc(N3CCN([C@@H]4C[NH2+][C@H](C(=O)N5CCSC5)C4)CC3)nc2c1	ZINC000084687231	563175690	/nfs/dbraw/zinc/17/56/90/563175690.db2.gz	RFLYETIBPFUAHB-RDJZCZTQSA-N	1	0	428.587	1.553	1	30		IDEFRO
CC(C)(O)[C@@H]1Cc2c(cc3oc([C@H](O)CCNC(N)=[NH2+])cc(=O)c3c2OC2CCCC2)O1	ZINC000085594450	291320635	/nfs/dbraw/zinc/32/06/35/291320635.db2.gz	UASIINCIPLHWSN-KUHUBIRLSA-N	1	0	445.516	1.886	1	30	biogenic,in-vitro	IDEFRO
CCc1c2c(nc3cnc(C#CC[NH3+])cc31)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	ZINC000013740835	563003142	/nfs/dbraw/zinc/00/31/42/563003142.db2.gz	ZYJYFNOPNQCWNY-DEOSSOPVSA-N	1	0	430.464	1.347	1	30		IDEFRO
CC1CCN(C(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2ccc3c(c2)CCCC3)CC1	ZINC000027978901	563048571	/nfs/dbraw/zinc/04/85/71/563048571.db2.gz	RYAOIRIGCUAMQJ-FQEVSTJZSA-N	1	0	449.621	1.524	1	30		IDEFRO
CN(CCC1CCCCC1)C(=O)[C@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028249503	563052262	/nfs/dbraw/zinc/05/22/62/563052262.db2.gz	LBRLCPXAPBZQEA-AQNXPRMDSA-N	1	0	435.613	1.959	1	30		IDEFRO
CN(CCc1ccccc1)C(=O)[C@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028244914	563052093	/nfs/dbraw/zinc/05/20/93/563052093.db2.gz	CTMSZHSGLSPTKS-AQNXPRMDSA-N	1	0	429.565	1.231	1	30		IDEFRO
C=CCc1ccc(OCC(=O)NC[C@@H](O)CNC(=O)C2=CC(C)(C)[NH2+]C2(C)C)c(OC)c1	ZINC000040503574	563104191	/nfs/dbraw/zinc/10/41/91/563104191.db2.gz	XQKMLEICELIJSV-QGZVFWFLSA-N	1	0	445.560	1.483	1	30		IDEFRO
O=C(C[C@H]1C[NH2+][C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@@H](C(=O)NO)C1)N1CCCC1	ZINC000045299691	563129042	/nfs/dbraw/zinc/12/90/42/563129042.db2.gz	GMXIFCSQVFGFBC-WBKMXMRLSA-N	1	0	428.533	1.115	1	30		IDEFRO
CCC/[NH+]=C1\N(C)C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N12	ZINC000061942218	563150935	/nfs/dbraw/zinc/15/09/35/563150935.db2.gz	YAIDOHAYHCDFKB-YJVYTKLHSA-N	1	0	426.517	1.505	3	30		IDEFRO
CC#CCn1c(N2CCC[NH2+]CC2)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21	ZINC000011687778	562979198	/nfs/dbraw/zinc/97/91/98/562979198.db2.gz	DZPZVLKXEXASCW-UHFFFAOYSA-N	1	0	442.527	1.716	1	30		IDEFRO
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000013526047	562991638	/nfs/dbraw/zinc/99/16/38/562991638.db2.gz	VAHZBDOLKHNQEE-HOTGVXAUSA-N	1	0	446.577	1.568	1	30		IDEFRO
C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)C[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000027104322	563039771	/nfs/dbraw/zinc/03/97/71/563039771.db2.gz	YAGNUGFFENXVOH-HNAYVOBHSA-N	1	0	435.484	1.386	1	30		IDEFRO
CC1CCN(C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2ccc3c(c2)CCCC3)CC1	ZINC000027978894	563048577	/nfs/dbraw/zinc/04/85/77/563048577.db2.gz	RYAOIRIGCUAMQJ-HXUWFJFHSA-N	1	0	449.621	1.524	1	30		IDEFRO
CSc1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C(=O)NO)cc1	ZINC000029038013	563071697	/nfs/dbraw/zinc/07/16/97/563071697.db2.gz	XUGIQJJECDDGBH-DOTOQJQBSA-N	1	0	425.514	1.630	1	30		IDEFRO
CO[C@H]1CN(c2ccc(C#C[C@@]3(O)C[NH+]4CCC3CC4)c(Cc3ccccc3)n2)C[C@H]1O	ZINC000029055810	563073354	/nfs/dbraw/zinc/07/33/54/563073354.db2.gz	NDEOTZXSBKCQLS-RMTZWNOUSA-N	1	0	433.552	1.677	1	30	in-vitro	IDEFRO
COc1ccc2c(c1)C(=NN1CC(=O)N(CCCC[NH+]3CCN(C)CC3)C1=O)CCO2	ZINC000040901241	563111025	/nfs/dbraw/zinc/11/10/25/563111025.db2.gz	BCCHQHOOYJQSLX-FCDQGJHFSA-N	1	0	429.521	1.474	1	30		IDEFRO
CCCOc1ccc2c(c1)C(=NN1CC(=O)N(CCCN3CC[NH+](C)CC3)C1=O)CCO2	ZINC000042878882	563115928	/nfs/dbraw/zinc/11/59/28/563115928.db2.gz	QMLKOAIFZYNZEQ-HIXSDJFHSA-N	1	0	443.548	1.864	1	30		IDEFRO
O=C(C[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@@H](C(=O)NO)C1)N1CCCC1	ZINC000045299689	563129055	/nfs/dbraw/zinc/12/90/55/563129055.db2.gz	GMXIFCSQVFGFBC-SAJDGTNDSA-N	1	0	428.533	1.115	1	30		IDEFRO
CCOc1ccc2c(c1)C(=NN1CC(=O)N(CCCN3CC[NH+](C)CC3)C1=O)CCO2	ZINC000045496463	563134499	/nfs/dbraw/zinc/13/44/99/563134499.db2.gz	CGVMLFZWFFLDTB-FCDQGJHFSA-N	1	0	429.521	1.474	1	30		IDEFRO
COc1ccc(C#N)c(CNC(=O)Cn2c(C)cnc(NCC[C@@H]3CCCC[NH2+]3)c2=O)c1	ZINC000066076143	563157467	/nfs/dbraw/zinc/15/74/67/563157467.db2.gz	KXXGEMMFTCAYTQ-IBGZPJMESA-N	1	0	438.532	1.693	1	30		IDEFRO
[NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NO	ZINC000071318286	563162104	/nfs/dbraw/zinc/16/21/04/563162104.db2.gz	YGHNIVJEKSKDJB-UXHICEINSA-N	1	0	442.516	1.643	1	30		IDEFRO
Cc1cc(C)[n+](CC(=O)Nc2nccc(Nc3ccc(S(N)(=O)=O)cc3)n2)c(C)c1	ZINC000013804411	563008307	/nfs/dbraw/zinc/00/83/07/563008307.db2.gz	TXSFVSVAOAHPEL-UHFFFAOYSA-O	1	0	427.510	1.719	1	30		IDEFRO
C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)CC[NH2+]C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000027102886	563039663	/nfs/dbraw/zinc/03/96/63/563039663.db2.gz	JRTNRTZKJHSBIW-OXJNMPFZSA-N	1	0	449.511	1.776	1	30		IDEFRO
C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)CC[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000027102890	563039670	/nfs/dbraw/zinc/03/96/70/563039670.db2.gz	JRTNRTZKJHSBIW-UZLBHIALSA-N	1	0	449.511	1.776	1	30		IDEFRO
C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)CC[NH2+]C[C@H](O)COc2ccccc2C#N)cc1	ZINC000027102894	563039683	/nfs/dbraw/zinc/03/96/83/563039683.db2.gz	JRTNRTZKJHSBIW-JXFKEZNVSA-N	1	0	449.511	1.776	1	30		IDEFRO
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1	ZINC000027553599	563043539	/nfs/dbraw/zinc/04/35/39/563043539.db2.gz	RJLTZDMTABCJHV-UHFFFAOYSA-N	1	0	439.541	1.703	1	30		IDEFRO
CC(C)OC(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000027897308	563048188	/nfs/dbraw/zinc/04/81/88/563048188.db2.gz	XWFOZHDYYAIUGS-QGZVFWFLSA-N	1	0	449.577	1.558	1	30		IDEFRO
CCCOC(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000027897968	563048195	/nfs/dbraw/zinc/04/81/95/563048195.db2.gz	IZQOMZJOULTUPN-QGZVFWFLSA-N	1	0	449.577	1.560	1	30		IDEFRO
CC1CCN(C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000027984552	563048746	/nfs/dbraw/zinc/04/87/46/563048746.db2.gz	PXJYHBGLVOUKAU-HXUWFJFHSA-N	1	0	445.589	1.799	1	30		IDEFRO
NC(=[NH2+])Nc1nc(CSCCC(N)=NS(=O)(=O)NCc2ccccc2)cs1	ZINC000029480938	563081086	/nfs/dbraw/zinc/08/10/86/563081086.db2.gz	GPKFYUOPPKTXPG-UHFFFAOYSA-N	1	0	427.581	1.063	1	30		IDEFRO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCNC(=O)Nc1cnc(Br)cn1	ZINC000084617586	563174428	/nfs/dbraw/zinc/17/44/28/563174428.db2.gz	OWLRIBBEFTWDIB-ZDUSSCGKSA-N	1	0	435.282	1.262	1	30		IDEFRO
COC(=O)[C@H](CC(C)C)NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]([NH3+])CS)CC1	ZINC000013490183	562990161	/nfs/dbraw/zinc/99/01/61/562990161.db2.gz	QMCCVNYWKLFKCQ-ROUUACIJSA-N	1	0	435.590	1.508	1	30		IDEFRO
COc1ccc(C#N)c(CNC(=O)Cn2c(C)cnc(NCC[C@H]3CCCC[NH2+]3)c2=O)c1	ZINC000066076145	563157502	/nfs/dbraw/zinc/15/75/02/563157502.db2.gz	KXXGEMMFTCAYTQ-LJQANCHMSA-N	1	0	438.532	1.693	1	30		IDEFRO
CC(C)C[C@H]([NH3+])C(=O)N1CC2(C[C@H]1C(=O)NCCCCCC(=O)NO)SCCS2	ZINC000072106565	563163038	/nfs/dbraw/zinc/16/30/38/563163038.db2.gz	NBGWGRQEAYHRTC-GJZGRUSLSA-N	1	0	446.639	1.319	1	30		IDEFRO
CNC(=[NH2+])N1C=C[C@@H](C[NH2+]C)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@](O)(C=O)[C@H]4CCC[C@H](CC1)[C@]342	ZINC000103524700	291322532	/nfs/dbraw/zinc/32/25/32/291322532.db2.gz	WUCWLTVFOQTZCJ-NPLUFXINSA-N	1	0	442.560	1.333	1	30	biogenic,in-vitro	IDEFRO
COC1=C(C)C(=O)O[C@]12C(=O)C(C)=C1[C@@H](O)CCC[N@@H+]3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@@]132	ZINC000070454821	291323031	/nfs/dbraw/zinc/32/30/31/291323031.db2.gz	ZNAQDRGQMUIKMM-HSHQEBPHSA-N	1	0	431.485	1.411	1	30	biogenic,in-vitro	IDEFRO
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCCC[NH3+]	ZINC000026027301	563028851	/nfs/dbraw/zinc/02/88/51/563028851.db2.gz	JPIMLZCWAAGDGU-ACRUOGEOSA-N	1	0	432.565	1.077	1	30		IDEFRO
CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2ccccc2c1/C=N\OCC[NH3+]	ZINC000038155708	563096768	/nfs/dbraw/zinc/09/67/68/563096768.db2.gz	IBTISPLPBBHVSU-TYSFLOMESA-N	1	0	434.452	1.389	1	30		IDEFRO
[NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NO	ZINC000071318285	563162040	/nfs/dbraw/zinc/16/20/40/563162040.db2.gz	YGHNIVJEKSKDJB-PMACEKPBSA-N	1	0	442.516	1.643	1	30	in-vitro	IDEFRO
CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000013526020	562991636	/nfs/dbraw/zinc/99/16/36/562991636.db2.gz	ZEDMSBVBKUUZHF-LSDHHAIUSA-N	1	0	430.534	1.028	1	30		IDEFRO
CC(C)OC(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000027897314	563048150	/nfs/dbraw/zinc/04/81/50/563048150.db2.gz	XWFOZHDYYAIUGS-KRWDZBQOSA-N	1	0	449.577	1.558	1	30		IDEFRO
CC1CCN(C(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2cccc3ccccc32)CC1	ZINC000027980153	563048555	/nfs/dbraw/zinc/04/85/55/563048555.db2.gz	NPJUJMNRFLWQRY-IBGZPJMESA-N	1	0	445.589	1.799	1	30		IDEFRO
CCCCN(C)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2ccccc21	ZINC000027984456	563048766	/nfs/dbraw/zinc/04/87/66/563048766.db2.gz	NVXUNMKUFNIQSP-GOSISDBHSA-N	1	0	433.578	1.799	1	30		IDEFRO
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C(=O)NO)C2CC[NH2+]CC2)cc1	ZINC000028003763	563049396	/nfs/dbraw/zinc/04/93/96/563049396.db2.gz	VCYINWSCVBPDFN-HXUWFJFHSA-N	1	0	433.530	1.760	1	30		IDEFRO
CN(CCc1ccccc1)C(=O)[C@H]1CCCC[C@@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028244901	563052047	/nfs/dbraw/zinc/05/20/47/563052047.db2.gz	CTMSZHSGLSPTKS-AABGKKOBSA-N	1	0	429.565	1.231	1	30		IDEFRO
COc1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2cncn2Cc2ccc(C#N)cc2)C1=O	ZINC000040410471	563101675	/nfs/dbraw/zinc/10/16/75/563101675.db2.gz	WSZPVEPHZIBFKY-FQEVSTJZSA-N	1	0	430.468	1.738	1	30		IDEFRO
COC(=S)NC[C@H]1CN(c2ccc(N3CCN(CC(=[NH2+])NO)CC3)c(F)c2)C(=O)O1	ZINC000040565664	563104890	/nfs/dbraw/zinc/10/48/90/563104890.db2.gz	LXUNRNSKMYGRHP-ZDUSSCGKSA-N	1	0	440.501	1.161	1	30		IDEFRO
CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2ccccc2c1/C=N\OCCC[NH3+]	ZINC000040763376	563106402	/nfs/dbraw/zinc/10/64/02/563106402.db2.gz	NOAYDPAESGHHQX-TXKVDOGBSA-N	1	0	448.479	1.779	1	30		IDEFRO
CNC(=O)c1c(NCC2OCC3(CCC3)CO2)nc(C#N)nc1OCC1CC[NH+](C)CC1	ZINC000040917888	563111679	/nfs/dbraw/zinc/11/16/79/563111679.db2.gz	OMKHPTMZDIWOCX-UHFFFAOYSA-N	1	0	444.536	1.384	1	30		IDEFRO
O=C(C[C@H]1C[NH2+][C@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H](C(=O)NO)C1)N1CCCC1	ZINC000045261825	563127918	/nfs/dbraw/zinc/12/79/18/563127918.db2.gz	RTBFVYBTGAGBSP-XJABCFGWSA-N	1	0	440.544	1.415	1	30		IDEFRO
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1cccc(O)c1)[C@H]([NH2+]CC1CC1)C(=O)NO	ZINC000052957190	563140921	/nfs/dbraw/zinc/14/09/21/563140921.db2.gz	UACUZULRKJKTHE-CZYKHXBRSA-N	1	0	439.512	1.199	1	30	in-vitro	IDEFRO
CO[C@]12[C@@H]3N[C@@H]3CN1c1c(c(O)c(N=C3C=CC(=[NH2+])C=C3)c(C)c1O)[C@@H]2COC(N)=O	ZINC000053074420	563141040	/nfs/dbraw/zinc/14/10/40/563141040.db2.gz	HAVDJBAPXOBCGN-SKVLZSBVSA-N	1	0	425.445	1.320	1	30		IDEFRO
CC(C)[NH+]1CCC(N=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000008692397	562963625	/nfs/dbraw/zinc/96/36/25/562963625.db2.gz	LAUFYLRWRNHOGY-UHFFFAOYSA-N	1	0	425.511	1.888	3	30		IDEFRO
N#C[C@@H]1CCCN1C(=O)C[NH2+]CCC(=O)N1CCN(c2nc3ccccc3s2)CC1	ZINC000013679155	563000774	/nfs/dbraw/zinc/00/07/74/563000774.db2.gz	JYDWWAAZBXIGRQ-INIZCTEOSA-N	1	0	426.546	1.439	1	30		IDEFRO
CCc1cc(-c2ccccc2)cc(CC)[n+]1CC(=O)Nc1nnc(S(N)(=O)=O)s1	ZINC000013804374	563008324	/nfs/dbraw/zinc/00/83/24/563008324.db2.gz	UHNNGPQIKLRTPI-UHFFFAOYSA-O	1	0	432.551	1.904	1	30		IDEFRO
NC(=[NH2+])NCCN1c2cc(F)ccc2N2CCC(=O)C(C(=O)Nc3ccccc3F)=C12	ZINC000013817155	563009506	/nfs/dbraw/zinc/00/95/06/563009506.db2.gz	UPUNXKJCUGGYOY-UHFFFAOYSA-N	1	0	426.427	1.897	1	30		IDEFRO
COc1ccc(S(=O)(=O)N(C)c2c(CN3CC[NH+](C)CC3)cccc2C(=O)NO)cc1	ZINC000026744958	563036341	/nfs/dbraw/zinc/03/63/41/563036341.db2.gz	YIIGCCOQJNYBNF-UHFFFAOYSA-N	1	0	448.545	1.387	1	30		IDEFRO
CCCNC(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000027904067	563048469	/nfs/dbraw/zinc/04/84/69/563048469.db2.gz	JSTLYANOWCESGX-QGZVFWFLSA-N	1	0	448.593	1.133	1	30		IDEFRO
CN(CCc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028244908	563052057	/nfs/dbraw/zinc/05/20/57/563052057.db2.gz	CTMSZHSGLSPTKS-VAMGGRTRSA-N	1	0	429.565	1.231	1	30		IDEFRO
C[C@H](CCCNC(N)=[NH2+])[C@H](C)C(=O)OCCCCCn1cnc2c1ncnc2N(C)C	ZINC000029558107	563082186	/nfs/dbraw/zinc/08/21/86/563082186.db2.gz	GPRRYVFIFVWMBF-CVEARBPZSA-N	1	0	432.573	1.932	1	30		IDEFRO
CO[C@]12[C@H]3N[C@H]3CN1c1c(c(O)c(N=C3C=CC(=[NH2+])C=C3)c(C)c1O)[C@H]2COC(N)=O	ZINC000038150260	563096606	/nfs/dbraw/zinc/09/66/06/563096606.db2.gz	HAVDJBAPXOBCGN-YDBSYXHISA-N	1	0	425.445	1.320	1	30		IDEFRO
CCn1c2cc(N3CCC[C@@](C)([NH3+])C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O	ZINC000064560304	563156210	/nfs/dbraw/zinc/15/62/10/563156210.db2.gz	LGHBEIDFUUJBSV-HSZRJFAPSA-N	1	0	438.507	1.898	1	30		IDEFRO