smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CC2CCN(CCCNS(C)(=O)=O)CC2)CC1	ZINC000013439977	561712458	/nfs/dbraw/zinc/71/24/58/561712458.db2.gz	XGQQSLHOLGZTIH-UHFFFAOYSA-N	1	3	516.108	1.776	1	0		KDAFHO
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2n1C	ZINC000014954631	561747168	/nfs/dbraw/zinc/74/71/68/561747168.db2.gz	QMYCSIPHSWKVGL-ZDXQCDESSA-N	1	3	546.676	1.326	1	0		KDAFHO
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2o1	ZINC000014954644	561747104	/nfs/dbraw/zinc/74/71/04/561747104.db2.gz	DSRYOPYBUYZKDD-VSKRKVRLSA-N	1	3	533.633	1.580	1	0		KDAFHO
CCOC(=O)c1csc(C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC)n1	ZINC000014954674	561747170	/nfs/dbraw/zinc/74/71/70/561747170.db2.gz	LPKAGHKXANUXHY-ZVDOUQERSA-N	1	3	571.704	1.072	1	0		KDAFHO
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccc(C(=O)OC)cc2s1	ZINC000014954738	561747243	/nfs/dbraw/zinc/74/72/43/561747243.db2.gz	MFMDLRMWDRKSBV-ZRBLBEILSA-N	1	3	607.737	1.835	1	0		KDAFHO
NCC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(=O)CN)cc2)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1	ZINC000025996400	561765039	/nfs/dbraw/zinc/76/50/39/561765039.db2.gz	IHTUAVBDKGLJEZ-XUZZJYLKSA-N	1	3	544.549	1.832	1	0		KDAFHO
NCC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(=O)CN)cc2)[C@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1	ZINC000025996407	561765015	/nfs/dbraw/zinc/76/50/15/561765015.db2.gz	IHTUAVBDKGLJEZ-URXFXBBRSA-N	1	3	544.549	1.832	1	0		KDAFHO
NCC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(=O)CN)cc2)[C@@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1	ZINC000025996414	561765024	/nfs/dbraw/zinc/76/50/24/561765024.db2.gz	IHTUAVBDKGLJEZ-ZJSXRUAMSA-N	1	3	544.549	1.832	1	0		KDAFHO
NCC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(=O)CN)cc2)[C@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1	ZINC000025996420	561765102	/nfs/dbraw/zinc/76/51/02/561765102.db2.gz	IHTUAVBDKGLJEZ-QPPBQGQZSA-N	1	3	544.549	1.832	1	0		KDAFHO
CCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC[NH+](C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000026466882	561789852	/nfs/dbraw/zinc/78/98/52/561789852.db2.gz	OJUIXDNZVXSATE-HVRNLMOBSA-N	1	3	742.926	1.075	1	0		KDAFHO
CC1(C)O[C@H]2[C@H](O1)[C@H](O)CN(Cc1ccc(OCCCOc3ccc(C[NH+]4C[C@@H](O)[C@H]5OC(C)(C)O[C@@H]5[C@H](O)C4)cc3)cc1)C[C@H]2O	ZINC000026474469	561790819	/nfs/dbraw/zinc/79/08/19/561790819.db2.gz	KFAWQTBZEBEAQQ-ZPDNQCNHSA-N	1	3	658.789	1.650	1	0		KDAFHO
N[C@@H](Cc1ccccc1)C(=O)NCC[NH2+]CCCCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O	ZINC000026728708	561816404	/nfs/dbraw/zinc/81/64/04/561816404.db2.gz	VJOSKSBNTNQAKK-NRFANRHFSA-N	1	3	502.619	1.571	1	0		KDAFHO
N[C@H](Cc1ccccc1)C(=O)NCC[NH2+]CCCCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O	ZINC000026728713	561816415	/nfs/dbraw/zinc/81/64/15/561816415.db2.gz	VJOSKSBNTNQAKK-OAQYLSRUSA-N	1	3	502.619	1.571	1	0		KDAFHO
C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000026815593	561820149	/nfs/dbraw/zinc/82/01/49/561820149.db2.gz	PZLYABUWWUZARL-LBUIIOCESA-N	1	3	707.876	1.768	1	0		KDAFHO
O=C(COc1ccc(OCC(=O)N2CCN(C(=O)c3cc4c(s3)CC[NH2+]C4)CC2)cc1)N1CCN(C(=O)c2cc3c(s2)CCNC3)CC1	ZINC000026972766	561830555	/nfs/dbraw/zinc/83/05/55/561830555.db2.gz	UKMUSTCOKAGPFR-UHFFFAOYSA-N	1	3	692.864	1.828	1	0		KDAFHO
CN(C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(C)N)[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000027196658	561844461	/nfs/dbraw/zinc/84/44/61/561844461.db2.gz	JJAYONCXRDEGFA-PSWJWLENSA-N	1	3	739.922	1.566	1	0		KDAFHO
CN(C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)N)[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000027196658	561844459	/nfs/dbraw/zinc/84/44/59/561844459.db2.gz	JJAYONCXRDEGFA-PSWJWLENSA-N	1	3	739.922	1.566	1	0		KDAFHO
CN(C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(C)N)[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000027197906	561844652	/nfs/dbraw/zinc/84/46/52/561844652.db2.gz	QYLXULCMJGFMGL-UYEZAFAQSA-N	1	3	725.895	1.224	1	0		KDAFHO
CN(C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)N)[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000027197906	561844650	/nfs/dbraw/zinc/84/46/50/561844650.db2.gz	QYLXULCMJGFMGL-UYEZAFAQSA-N	1	3	725.895	1.224	1	0		KDAFHO
CCOC(=O)C1=C(COCCNCC(=O)NCC[NH3+])NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	ZINC000027647466	561876156	/nfs/dbraw/zinc/87/61/56/561876156.db2.gz	AIIYBTVDJKSCHH-WZFMIUBLSA-N	1	3	509.003	1.812	1	0		KDAFHO
CCOC(=O)C1=C(COCCNCC(=O)NCC[NH3+])NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl	ZINC000027647472	561876147	/nfs/dbraw/zinc/87/61/47/561876147.db2.gz	AIIYBTVDJKSCHH-PZJQAWQVSA-N	1	3	509.003	1.812	1	0		KDAFHO
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](O)[C@@H]([NH3+])C[C@@H](C)CC(=O)[C@@H](N)CC(C)C)C(C)C	ZINC000027704815	561878637	/nfs/dbraw/zinc/87/86/37/561878637.db2.gz	VUCBTQLMZQVPLU-FRKBTGCXSA-N	1	3	534.698	1.075	1	0		KDAFHO
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](O)[C@@H]([NH3+])C[C@H](C)CC(=O)[C@@H](N)CC(C)C)C(C)C	ZINC000027704819	561878617	/nfs/dbraw/zinc/87/86/17/561878617.db2.gz	VUCBTQLMZQVPLU-BYZHJWIBSA-N	1	3	534.698	1.075	1	0		KDAFHO
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](O)[C@@H]([NH3+])C[C@@H](C)CC(=O)[C@@H](N)CC(C)C)C(C)C	ZINC000027708250	561879144	/nfs/dbraw/zinc/87/91/44/561879144.db2.gz	VUCBTQLMZQVPLU-DKYIUWICSA-N	1	3	534.698	1.075	1	0		KDAFHO
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](O)[C@@H]([NH3+])C[C@H](C)CC(=O)[C@@H](N)CC(C)C)C(C)C	ZINC000027708254	561879165	/nfs/dbraw/zinc/87/91/65/561879165.db2.gz	VUCBTQLMZQVPLU-LHTDVJSRSA-N	1	3	534.698	1.075	1	0		KDAFHO
O=C(NCc1ccccc1)C(=O)[C@H](CC1CC[NH2+]CC1)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1NCC[C@H]2CCCC[C@H]21	ZINC000028236316	561909824	/nfs/dbraw/zinc/90/98/24/561909824.db2.gz	WJAVJDNRILGCRZ-IURCNINISA-N	1	3	551.732	1.906	1	0		KDAFHO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1	ZINC000028770444	561961128	/nfs/dbraw/zinc/96/11/28/561961128.db2.gz	WQDOEYAJPUSQCH-RXYILKCJSA-N	1	3	548.717	1.862	1	0		KDAFHO
N[C@@]1(Cc2ccccc2)CCN2CC[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(=O)NCc3ccccc3)N2C1	ZINC000028770823	561961281	/nfs/dbraw/zinc/96/12/81/561961281.db2.gz	LQSGNEYBCVENMM-IALVYGIMSA-N	1	3	520.678	1.121	1	0		KDAFHO
NC[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1	ZINC000029135723	562004490	/nfs/dbraw/zinc/00/44/90/562004490.db2.gz	NHCYVPYZNFHZFB-GVBYMILNSA-N	1	3	720.875	1.880	1	0		KDAFHO
NCC(=O)N1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@H+](CC5CC5)CC[C@]41[C@@]3(O)C2	ZINC000029252047	562011397	/nfs/dbraw/zinc/01/13/97/562011397.db2.gz	MJPXBHRPFBXBTH-HJMLEIGSSA-N	1	3	664.759	1.899	1	0		KDAFHO
NCC(=O)N1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]41[C@@]3(O)C2	ZINC000029252047	562011395	/nfs/dbraw/zinc/01/13/95/562011395.db2.gz	MJPXBHRPFBXBTH-HJMLEIGSSA-N	1	3	664.759	1.899	1	0		KDAFHO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CC(Cc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)C(=O)[O-])cc1	ZINC000029464770	562023855	/nfs/dbraw/zinc/02/38/55/562023855.db2.gz	HGBPHPQOEBZCHO-UHFFFAOYSA-N	1	3	518.626	1.544	1	0		KDAFHO
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(=O)OCCC(C)C	ZINC000029478255	562026763	/nfs/dbraw/zinc/02/67/63/562026763.db2.gz	JLSJMHXPTVCMNS-SJSXQSQASA-N	1	3	589.778	1.987	1	0		KDAFHO
CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@@H](N)CCCC[NH3+])cc3)nc2c(=O)n(CCC)c1=S	ZINC000029551076	562030944	/nfs/dbraw/zinc/03/09/44/562030944.db2.gz	ZBUYOGIRGFMTSH-FQEVSTJZSA-N	1	3	572.736	1.810	1	0		KDAFHO
CCCn1c2[n-]c(-c3ccc(OCC(=O)NCCNC(=O)[C@@H]([NH3+])CCCC[NH3+])cc3)nc2c(=O)n(CCC)c1=S	ZINC000029551076	562030943	/nfs/dbraw/zinc/03/09/43/562030943.db2.gz	ZBUYOGIRGFMTSH-FQEVSTJZSA-N	1	3	572.736	1.810	1	0		KDAFHO
CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@H](N)CCCC[NH3+])cc3)nc2c(=O)n(CCC)c1=S	ZINC000029551078	562030958	/nfs/dbraw/zinc/03/09/58/562030958.db2.gz	ZBUYOGIRGFMTSH-HXUWFJFHSA-N	1	3	572.736	1.810	1	0		KDAFHO
CCCn1c2[n-]c(-c3ccc(OCC(=O)NCCNC(=O)[C@H]([NH3+])CCCC[NH3+])cc3)nc2c(=O)n(CCC)c1=S	ZINC000029551078	562030957	/nfs/dbraw/zinc/03/09/57/562030957.db2.gz	ZBUYOGIRGFMTSH-HXUWFJFHSA-N	1	3	572.736	1.810	1	0		KDAFHO
C[C@@H](CO)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])C[C@H]1C	ZINC000036284861	562053471	/nfs/dbraw/zinc/05/34/71/562053471.db2.gz	RONXLXXIACZMJU-YZZKKUAISA-N	1	3	551.519	1.972	1	0		KDAFHO
C[C@@H](CO)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])C[C@@H]1C	ZINC000036284865	562053490	/nfs/dbraw/zinc/05/34/90/562053490.db2.gz	RONXLXXIACZMJU-IUKKYPGJSA-N	1	3	551.519	1.972	1	0		KDAFHO
CC(C)(CO)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1	ZINC000036285129	562053824	/nfs/dbraw/zinc/05/38/24/562053824.db2.gz	COOGJODHRJNYQU-JOCHJYFZSA-N	1	3	551.519	1.974	1	0		KDAFHO
CC[C@@H](CO)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1	ZINC000036285212	562053919	/nfs/dbraw/zinc/05/39/19/562053919.db2.gz	FDOBOLWGMHAYGX-JTHBVZDNSA-N	1	3	551.519	1.974	1	0		KDAFHO
CC[C@H](CO)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1	ZINC000036285215	562053959	/nfs/dbraw/zinc/05/39/59/562053959.db2.gz	FDOBOLWGMHAYGX-FYYLOGMGSA-N	1	3	551.519	1.974	1	0		KDAFHO
[NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNCCO)CC1	ZINC000036285218	562053926	/nfs/dbraw/zinc/05/39/26/562053926.db2.gz	UTCZWFMPHRULRN-OAQYLSRUSA-N	1	3	523.465	1.195	1	0		KDAFHO
NC(=[NH2+])NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1	ZINC000036285221	562053878	/nfs/dbraw/zinc/05/38/78/562053878.db2.gz	LKXMYEXGCGGDSC-GOGZTAQTSA-N	1	3	613.763	1.795	1	0		KDAFHO
NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1	ZINC000039196557	562072874	/nfs/dbraw/zinc/07/28/74/562072874.db2.gz	MWLLGEVAEDIFRC-PKTZIBPZSA-N	1	3	578.139	1.157	1	0	in-vitro	KDAFHO
CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CC[NH3+])cc1)[NH2+]C[C@H](O)c1ccc([O-])c2c1OCC(=O)N2	ZINC000045258486	562659956	/nfs/dbraw/zinc/65/99/56/562659956.db2.gz	BLCZHIFSBSOPKO-NRFANRHFSA-N	1	3	527.622	1.551	1	0		KDAFHO
CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CC[NH3+])cc1)[NH2+]C[C@@H](O)c1ccc([O-])c2c1OCC(=O)N2	ZINC000045258491	562659948	/nfs/dbraw/zinc/65/99/48/562659948.db2.gz	BLCZHIFSBSOPKO-OAQYLSRUSA-N	1	3	527.622	1.551	1	0		KDAFHO
CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CN)cc1)[NH2+]C[C@H](O)c1ccc(O)c2c1OCC(=O)N2	ZINC000045314723	562660855	/nfs/dbraw/zinc/66/08/55/562660855.db2.gz	XVOLBAKPDHMKHO-FQEVSTJZSA-N	1	3	513.595	1.161	1	0		KDAFHO
CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CN)cc1)[NH2+]C[C@@H](O)c1ccc(O)c2c1OCC(=O)N2	ZINC000045314728	562660853	/nfs/dbraw/zinc/66/08/53/562660853.db2.gz	XVOLBAKPDHMKHO-HXUWFJFHSA-N	1	3	513.595	1.161	1	0		KDAFHO
NC(=[NH2+])NCCC[C@H](NC(=O)C1CCN(Cc2cccc(NC(=O)CCCCC[NH3+])c2)CC1)C(=O)[O-]	ZINC000049054806	562663893	/nfs/dbraw/zinc/66/38/93/562663893.db2.gz	GPQBLLNYVNBPKC-NRFANRHFSA-N	1	3	503.648	1.189	1	0		KDAFHO
COc1ccc(CC[NH2+]C[C@H](O)COc2nccc3c2cccc3S(=O)(=O)N2CCCNCC2)cc1OC	ZINC000049626976	562667484	/nfs/dbraw/zinc/66/74/84/562667484.db2.gz	RAPCHYQUVPJIEY-NRFANRHFSA-N	1	3	544.674	1.808	1	0		KDAFHO
COc1ccc(CC[NH2+]C[C@@H](O)COc2nccc3c2cccc3S(=O)(=O)N2CCCNCC2)cc1OC	ZINC000049626979	562667450	/nfs/dbraw/zinc/66/74/50/562667450.db2.gz	RAPCHYQUVPJIEY-OAQYLSRUSA-N	1	3	544.674	1.808	1	0		KDAFHO
NC(=[NH2+])NCCN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3N(CC5CC5)CC[C@]41[C@@]3(O)C2	ZINC000049627295	562667530	/nfs/dbraw/zinc/66/75/30/562667530.db2.gz	UPVIZTSWVQCULU-RNTNBXDSSA-N	1	3	692.817	1.897	1	0		KDAFHO
COc1cc(CC(CN)(Cc2cc(OC)cc(OC)c2)C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(N)=O)cc(OC)c1	ZINC000049679193	562668787	/nfs/dbraw/zinc/66/87/87/562668787.db2.gz	ICXVFQFCUJMCGV-DEOSSOPVSA-N	1	3	558.680	1.075	1	0		KDAFHO
NC(=[NH2+])CCNc1nc(NCCO)nc(NCCc2ccc(Nc3nc(NCCO)nc(Nc4cccc(F)c4)n3)cc2)n1	ZINC000049679640	562668918	/nfs/dbraw/zinc/66/89/18/562668918.db2.gz	RUSNRBBFLYNAED-UHFFFAOYSA-N	1	3	606.671	1.884	1	0		KDAFHO
CC[C@H](N)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CNC(N)=[NH2+]	ZINC000049708673	562671044	/nfs/dbraw/zinc/67/10/44/562671044.db2.gz	JXUHBFWPZHCAKE-FCRIMTMASA-N	1	3	533.677	1.367	1	0		KDAFHO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)Cc1cnc(C23CC4CC(CC(C4)C2)C3)[nH]1)C(=O)NCc1ccccc1	ZINC000049709535	562671386	/nfs/dbraw/zinc/67/13/86/562671386.db2.gz	CFSDPSOKJLJSIF-FSLZXCMFSA-N	1	3	534.709	1.812	1	0		KDAFHO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c(C23CC4CC(CC(C4)C2)C3)n1)C(=O)NCc1ccccc1	ZINC000049709535	562671385	/nfs/dbraw/zinc/67/13/85/562671385.db2.gz	CFSDPSOKJLJSIF-FSLZXCMFSA-N	1	3	534.709	1.812	1	0		KDAFHO
NC[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1	ZINC000049808428	562686683	/nfs/dbraw/zinc/68/66/83/562686683.db2.gz	NHCYVPYZNFHZFB-YAFWASLJSA-N	1	3	720.875	1.880	1	0		KDAFHO
NC[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1	ZINC000058468473	562697932	/nfs/dbraw/zinc/69/79/32/562697932.db2.gz	NHCYVPYZNFHZFB-VATRIRCNSA-N	1	3	720.875	1.880	1	0		KDAFHO
CCC(=O)NCC[NH2+]CCNC(=O)CCC(=O)[N-]C(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1	ZINC000058581757	562699881	/nfs/dbraw/zinc/69/98/81/562699881.db2.gz	GUXRQKUMXPOLCD-WJOKGBTCSA-N	1	3	714.868	1.758	1	0		KDAFHO
[NH2+]=C([N-]C(=O)CCC(=O)NCC[NH3+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1	ZINC000058592615	562700623	/nfs/dbraw/zinc/70/06/23/562700623.db2.gz	WDKQTGMPIIWDJN-HHHXNRCGSA-N	1	3	615.735	1.601	1	0		KDAFHO
CO[C@H]1CCN(Cc2ccc(C[N@H+]3CCO[C@@H](OC)CC(=O)NCCO[C@@H](OC)CC3)cc2)CCO[C@@H](OC)CC(=O)NCCO1	ZINC000072104213	562720450	/nfs/dbraw/zinc/72/04/50/562720450.db2.gz	YVKNCSHJNJWAAM-SEVDZJIVSA-N	1	3	654.802	1.067	1	0		KDAFHO
CO[C@H]1CCN(Cc2ccc(C[N@@H+]3CCO[C@@H](OC)CC(=O)NCCO[C@@H](OC)CC3)cc2)CCO[C@@H](OC)CC(=O)NCCO1	ZINC000072104213	562720449	/nfs/dbraw/zinc/72/04/49/562720449.db2.gz	YVKNCSHJNJWAAM-SEVDZJIVSA-N	1	3	654.802	1.067	1	0		KDAFHO
CSCC[C@H](N)C(=O)N1C[C@@H](C(=O)NCCCC[NH3+])[C@H](C(=O)NCCc2ccc3ccccc3c2)C1	ZINC000072114718	562722801	/nfs/dbraw/zinc/72/28/01/562722801.db2.gz	WPLYAQZKJBMMHR-SMIHKQSGSA-N	1	3	513.708	1.509	1	0		KDAFHO
N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](C(=O)NCCCC[NH3+])[C@H](C(=O)NCCc2ccc3ccccc3c2)C1	ZINC000072117171	562723417	/nfs/dbraw/zinc/72/34/17/562723417.db2.gz	NXYBNPDRFJLMLU-FCEKVYKBSA-N	1	3	545.684	1.704	1	0		KDAFHO
N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C(=O)NCCCC[NH3+])[C@H](C(=O)NCCc2ccc3ccccc3c2)C1	ZINC000072118629	562723615	/nfs/dbraw/zinc/72/36/15/562723615.db2.gz	RMWBRBUBLSNNMT-FCEKVYKBSA-N	1	3	529.685	1.998	1	0		KDAFHO
C[NH2+]CCCNC(=O)COCC(=O)NCC(=O)NCC(=O)Nc1cccc([C@@H](CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1	ZINC000072131676	562726738	/nfs/dbraw/zinc/72/67/38/562726738.db2.gz	CMTAFJFUXXXHCL-MUUNZHRXSA-N	1	3	706.672	1.745	1	0		KDAFHO
CC(C)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H]([NH3+])[C@@H](O)c1ccc(I)cc1	ZINC000072142556	562729589	/nfs/dbraw/zinc/72/95/89/562729589.db2.gz	CSPUKTBNCMXQLD-KJJMTIBFSA-N	1	3	552.457	1.869	1	0		KDAFHO
CC(C)[C@H](NCc1ccc(C(N)=[NH2+])cc1)C(=O)[C@@H](CCCNC(N)=[NH2+])[N-]S(=O)(=O)Cc1ccccc1	ZINC000072177488	562731802	/nfs/dbraw/zinc/73/18/02/562731802.db2.gz	PAHLSHHSYZMZRN-YADHBBJMSA-N	1	3	515.684	1.405	1	0		KDAFHO
CCC[C@H](NCc1ccc(C(N)=[NH2+])cc1)C(=O)[C@@H](CCCNC(N)=[NH2+])[N-]S(=O)(=O)Cc1ccccc1	ZINC000072177674	562731847	/nfs/dbraw/zinc/73/18/47/562731847.db2.gz	PXVSKSKOTDZVPH-FCHUYYIVSA-N	1	3	515.684	1.550	1	0		KDAFHO
CC[C@H](NCc1ccc(C(N)=[NH2+])cc1)C(=O)[C@@H](CCCNC(N)=[NH2+])[N-]S(=O)(=O)Cc1ccccc1	ZINC000072177768	562731875	/nfs/dbraw/zinc/73/18/75/562731875.db2.gz	HTOGBQJUJBBWIE-LEWJYISDSA-N	1	3	501.657	1.159	1	0		KDAFHO
CC[C@H](C)[C@H](NCc1ccc(C(N)=[NH2+])cc1)C(=O)[C@@H](CCCNC(N)=[NH2+])[N-]S(=O)(=O)Cc1ccccc1	ZINC000072178233	562732008	/nfs/dbraw/zinc/73/20/08/562732008.db2.gz	YGRVLWUTIQEYQB-NMNUPHIUSA-N	1	3	529.711	1.796	1	0		KDAFHO
CC(C)(C)OC(=O)C[C@H](NCc1ccc(C(N)=[NH2+])cc1)C(=O)[C@@H](CCCNC(N)=[NH2+])[N-]S(=O)(=O)Cc1ccccc1	ZINC000072178591	562732085	/nfs/dbraw/zinc/73/20/85/562732085.db2.gz	ZZJGITAKIQCFNN-PKTZIBPZSA-N	1	3	587.747	1.481	1	0		KDAFHO
NC(=[NH2+])NCCC[C@@H]([N-]S(=O)(=O)Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NCc1ccc(C(N)=[NH2+])cc1	ZINC000072178762	562732140	/nfs/dbraw/zinc/73/21/40/562732140.db2.gz	FLWUPTRCXWFCHH-FTJBHMTQSA-N	1	3	563.728	1.992	1	0		KDAFHO
CC(C)C[C@H](NCc1ccc(C(N)=[NH2+])cc1)C(=O)[C@@H](CCCNC(N)=[NH2+])[N-]S(=O)(=O)Cc1ccccc1	ZINC000072179311	562732309	/nfs/dbraw/zinc/73/23/09/562732309.db2.gz	PPVQRZZJMMPLIX-PKTZIBPZSA-N	1	3	529.711	1.796	1	0		KDAFHO
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(C(N)=[NH2+])cc2)[N-]S(=O)(=O)Cc2ccccc2)cc1	ZINC000072179431	562732327	/nfs/dbraw/zinc/73/23/27/562732327.db2.gz	KSNMRDRVDBSGNM-FTJBHMTQSA-N	1	3	589.722	1.593	1	0		KDAFHO
CN(C)CCNC(=O)c1nc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)c4ccccc4)cn3C)cn2CCC[NH3+])cn1C	ZINC000082157792	562741011	/nfs/dbraw/zinc/74/10/11/562741011.db2.gz	FIQYFRAULMSMIJ-UHFFFAOYSA-N	1	3	603.688	1.352	1	0		KDAFHO
CO[C@H]1CCN(Cc2ccc(C[N@H+]3CCO[C@H](OC)CC(=O)NCCO[C@@H](OC)CC3)cc2)CCO[C@H](OC)CC(=O)NCCO1	ZINC000084339041	562742854	/nfs/dbraw/zinc/74/28/54/562742854.db2.gz	YVKNCSHJNJWAAM-ZRTHHSRSSA-N	1	3	654.802	1.067	1	0		KDAFHO
CO[C@H]1CCN(Cc2ccc(C[N@@H+]3CCO[C@H](OC)CC(=O)NCCO[C@@H](OC)CC3)cc2)CCO[C@H](OC)CC(=O)NCCO1	ZINC000084339041	562742853	/nfs/dbraw/zinc/74/28/53/562742853.db2.gz	YVKNCSHJNJWAAM-ZRTHHSRSSA-N	1	3	654.802	1.067	1	0		KDAFHO
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNCCC[NH2+]CCC1	ZINC000084521145	562743228	/nfs/dbraw/zinc/74/32/28/562743228.db2.gz	KYSVYLKCWBHIPD-UIOOFZCWSA-N	1	3	542.725	1.564	1	0		KDAFHO
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNCCC[NH2+]CCC1	ZINC000084602809	562744083	/nfs/dbraw/zinc/74/40/83/562744083.db2.gz	ZMNFVCSZPYFPAO-ZEQRLZLVSA-N	1	3	503.688	1.083	1	0		KDAFHO
C[C@H](O)C[NH2+][C@H](CCCCCCC[C@](O)(C[NH2+][C@]1(C)CCN[C@H](N)C1)CC(=O)[O-])C[C@@H]1CC[C@@H](O)[C@H](C)N1	ZINC000085487924	560075976	/nfs/dbraw/zinc/07/59/76/560075976.db2.gz	NBMGLMJXPPFHTG-UURKVNEZSA-N	1	3	543.794	1.170	1	0	biogenic,in-vitro	KDAFHO
CNC[C@H](NC)C(=O)O[C@H](C[C@H](OC(C)=O)[C@H](CCCO)CC[C@H](C)O)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1	ZINC000085596757	560063338	/nfs/dbraw/zinc/06/33/38/560063338.db2.gz	SDVONDFVVLBRLH-YGIKYEMLSA-N	1	3	595.778	1.904	1	0	biogenic,in-vitro	KDAFHO
CNC[C@H](NC)C(=O)O[C@H](C[C@@H](CCC[C@H](C)O)OC(C)=O)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1	ZINC000085596775	560063229	/nfs/dbraw/zinc/06/32/29/560063229.db2.gz	CLQPBUIHGLQSQU-ASTYLPHCSA-N	1	3	537.698	1.905	1	0	biogenic,in-vitro	KDAFHO
CCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH+](C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000095543478	562757278	/nfs/dbraw/zinc/75/72/78/562757278.db2.gz	CISIOQFTZFUVDT-KMSCUOMXSA-N	1	3	756.953	1.465	1	0		KDAFHO
N[C@@H](CCCC[NH3+])C(=O)NCCN(CC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-])C(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1	ZINC000095544607	562757716	/nfs/dbraw/zinc/75/77/16/562757716.db2.gz	VUWFJCYCOOSEGT-CPCREDONSA-N	1	3	770.929	1.478	1	0		KDAFHO
N[C@@H](CCCC[NH3+])C(=O)N1CCN(c2nc(-n3c4ccccc4nc3C(F)F)nc(N3CCOCC3)n2)CC1	ZINC000095583353	562772853	/nfs/dbraw/zinc/77/28/53/562772853.db2.gz	ATJCRSZHSTUDOS-KRWDZBQOSA-N	1	3	544.611	1.090	1	0		KDAFHO
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2C[C@@H](O)CN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCC(F)(F)CC1	ZINC000095596409	562776973	/nfs/dbraw/zinc/77/69/73/562776973.db2.gz	UPKLMAFQDXNFGT-NHBKWFJBSA-N	1	3	577.673	1.191	1	0		KDAFHO
CCCCN[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH2+]C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000095610250	562784264	/nfs/dbraw/zinc/78/42/64/562784264.db2.gz	JXNPRGCRKXHYPH-KFIZHRIMSA-N	1	3	770.980	1.901	1	0		KDAFHO
CCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH2+]C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000095610250	562784263	/nfs/dbraw/zinc/78/42/63/562784263.db2.gz	JXNPRGCRKXHYPH-KFIZHRIMSA-N	1	3	770.980	1.901	1	0		KDAFHO
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2C[C@@H]3C[C@@H]3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1	ZINC000096283229	562794814	/nfs/dbraw/zinc/79/48/14/562794814.db2.gz	OGTGKCOHYGILPQ-BBAYRLSSSA-N	1	3	537.705	1.973	1	0	in-vitro	KDAFHO
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2C[C@H]3C[C@H]3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1	ZINC000096283230	562794810	/nfs/dbraw/zinc/79/48/10/562794810.db2.gz	OGTGKCOHYGILPQ-VIYVJXCBSA-N	1	3	537.705	1.973	1	0		KDAFHO
NCC(=O)NCCCCNC(=O)NCc1ccc(CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)C(c2ccccc2)c2ccccc2)cc1	ZINC000096286230	562796102	/nfs/dbraw/zinc/79/61/02/562796102.db2.gz	RDHPZIVOWGKWKQ-GDLZYMKVSA-N	1	3	657.820	1.537	1	0		KDAFHO
CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000096915712	562801046	/nfs/dbraw/zinc/80/10/46/562801046.db2.gz	DRPGMZNRXLTFPX-MUFAAYGBSA-N	1	3	669.831	1.827	1	0		KDAFHO
CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)[C@@H](C)CC	ZINC000096916104	562801141	/nfs/dbraw/zinc/80/11/41/562801141.db2.gz	LSFXXXSVVDTWPE-DAZBKPSJSA-N	1	3	596.777	1.149	1	0		KDAFHO
CCCC[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CCCC)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000096916106	562801143	/nfs/dbraw/zinc/80/11/43/562801143.db2.gz	NEQQUHBDYOOHBR-SSUZURRFSA-N	1	3	596.777	1.293	1	0		KDAFHO
CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C3COC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1	ZINC000103263841	562821828	/nfs/dbraw/zinc/82/18/28/562821828.db2.gz	KHIGGGCCVIRUQD-ODOHIECXSA-N	1	3	524.584	1.858	1	0		KDAFHO
CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C3COC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1	ZINC000103263844	562821825	/nfs/dbraw/zinc/82/18/25/562821825.db2.gz	KHIGGGCCVIRUQD-RUXDYSAUSA-N	1	3	524.584	1.858	1	0		KDAFHO
CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C3COC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1	ZINC000103263846	562821822	/nfs/dbraw/zinc/82/18/22/562821822.db2.gz	KHIGGGCCVIRUQD-NGAPOUCOSA-N	1	3	524.584	1.858	1	0		KDAFHO
CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C3COC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1	ZINC000103263849	562821833	/nfs/dbraw/zinc/82/18/33/562821833.db2.gz	KHIGGGCCVIRUQD-JORZUPCSSA-N	1	3	524.584	1.858	1	0		KDAFHO
CNCCNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(CO[C@H]4CCC[C@H](O)C4)C[C@]32[C@H](C)CC1	ZINC000103524461	560051273	/nfs/dbraw/zinc/05/12/73/560051273.db2.gz	KCSSWPNXPXDPST-DCEUTJTPSA-N	1	3	589.778	1.016	1	0	biogenic,in-vitro	KDAFHO
CNCCNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@]4(O)C[C@]32[C@@H](CC1)CCCC[C@@H]4OC	ZINC000103524558	291705794	/nfs/dbraw/zinc/70/57/94/291705794.db2.gz	BPTCMKFLLRMFIF-RHARRANKSA-N	1	3	545.725	1.265	1	0	biogenic,in-vitro	KDAFHO
CNCCNC(=[NH2+])N1C=C[C@H](C[NH2+]C)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@]4(O)C[C@]32[C@@H](CC1)CCCC[C@@H]4OC	ZINC000103524649	560051302	/nfs/dbraw/zinc/05/13/02/560051302.db2.gz	ZASUHLVTHGNHEY-FTWPBNMZSA-N	1	3	515.699	1.903	1	0	biogenic,in-vitro	KDAFHO
CC[C@@H](NCc1ccc(C(N)=[NH2+])cc1)C(=O)[C@@H](CCCNC(N)=[NH2+])[N-]S(=O)(=O)Cc1ccccc1	ZINC000169294437	562852228	/nfs/dbraw/zinc/85/22/28/562852228.db2.gz	HTOGBQJUJBBWIE-NHCUHLMSSA-N	1	3	501.657	1.159	1	0		KDAFHO
C[C@H](CO)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])C[C@@H]1C	ZINC000169354476	562863664	/nfs/dbraw/zinc/86/36/64/562863664.db2.gz	RONXLXXIACZMJU-IEGUWTFLSA-N	1	3	551.519	1.972	1	0		KDAFHO
CN[C@@H](C)C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1	ZINC000473117624	562899239	/nfs/dbraw/zinc/89/92/39/562899239.db2.gz	ZVEZBSHWAUBDGE-OYDLWJJNSA-N	1	3	535.693	1.629	1	0		KDAFHO
Cn1cnc2nc(=O)n(-c3[nH]c(N)nc3[C@H]3[C@H](c4c[nH]c(N)[nH+]4)[C@@H](CNC([O-])=C4C=C(Br)C=[NH+]4)[C@@H]3CNC([O-])=C3C=C(Br)C=[NH+]3)c-2c1N	ZINC000653847677	562915276	/nfs/dbraw/zinc/91/52/76/562915276.db2.gz	XNGAYFDKVLUSKZ-DSIZOQBWSA-O	1	3	784.458	1.156	1	0		KDAFHO
CCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1	ZINC000653858617	562915855	/nfs/dbraw/zinc/91/58/55/562915855.db2.gz	KUWYRRSXPGXTAI-DFZCOPKLSA-N	1	3	697.951	1.770	1	0		KDAFHO
CCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1	ZINC000653858618	562915876	/nfs/dbraw/zinc/91/58/76/562915876.db2.gz	KUWYRRSXPGXTAI-DNEFNOKRSA-N	1	3	697.951	1.770	1	0		KDAFHO
CCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1	ZINC000653858619	562915842	/nfs/dbraw/zinc/91/58/42/562915842.db2.gz	KUWYRRSXPGXTAI-NDMKBUGQSA-N	1	3	697.951	1.770	1	0		KDAFHO
CCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1	ZINC000653858620	562915867	/nfs/dbraw/zinc/91/58/67/562915867.db2.gz	KUWYRRSXPGXTAI-XPSCAIQQSA-N	1	3	697.951	1.770	1	0		KDAFHO
CCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1	ZINC000653866631	562916197	/nfs/dbraw/zinc/91/61/97/562916197.db2.gz	PWLGWEMDKJZRBW-AWCRTANDSA-N	1	3	683.924	1.381	1	0		KDAFHO
CCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1	ZINC000653866632	562916222	/nfs/dbraw/zinc/91/62/22/562916222.db2.gz	PWLGWEMDKJZRBW-SSBOKUKZSA-N	1	3	683.924	1.381	1	0		KDAFHO
CCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1	ZINC000653866633	562916211	/nfs/dbraw/zinc/91/62/11/562916211.db2.gz	PWLGWEMDKJZRBW-ULNSLHSMSA-N	1	3	683.924	1.381	1	0		KDAFHO
CCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1	ZINC000653866634	562916240	/nfs/dbraw/zinc/91/62/40/562916240.db2.gz	PWLGWEMDKJZRBW-YTCPBCGMSA-N	1	3	683.924	1.381	1	0		KDAFHO
CCCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1	ZINC000653885932	562916935	/nfs/dbraw/zinc/91/69/35/562916935.db2.gz	DEFAYNRLVWAXIN-DTXPUJKBSA-N	1	3	697.951	1.771	1	0		KDAFHO
CCCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1	ZINC000653885933	562916950	/nfs/dbraw/zinc/91/69/50/562916950.db2.gz	DEFAYNRLVWAXIN-DYIKCSJPSA-N	1	3	697.951	1.771	1	0		KDAFHO
CCCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1	ZINC000653885934	562916940	/nfs/dbraw/zinc/91/69/40/562916940.db2.gz	DEFAYNRLVWAXIN-NGDRWEMDSA-N	1	3	697.951	1.771	1	0		KDAFHO
CCCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1	ZINC000653885935	562916970	/nfs/dbraw/zinc/91/69/70/562916970.db2.gz	DEFAYNRLVWAXIN-OIFRRMEBSA-N	1	3	697.951	1.771	1	0		KDAFHO