smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-]	ZINC000003872188	574412121	/nfs/dbraw/zinc/41/21/21/574412121.db2.gz	JXNRXNCCROJZFB-VXGBXAGGSA-N	1	0	337.380	-1.115	10	30	endogenous,in-vitro	EAEERO
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)NCC(N)=O	ZINC000006095857	685196678	/nfs/dbraw/zinc/19/66/78/685196678.db2.gz	SVIHUQUNGHYHLE-NSHDSACASA-N	1	0	334.380	-1.560	10	30		EAEERO
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](C(=O)[O-])[C@@]1(O)CC=CC1=O	ZINC000014852053	685106534	/nfs/dbraw/zinc/10/65/34/685106534.db2.gz	DUYFQYOHZRZEAZ-DXVIDONBSA-N	1	0	327.341	-2.803	10	30		EAEERO
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])[C@@]1(O)CC=CC1=O	ZINC000031414352	685200144	/nfs/dbraw/zinc/20/01/44/685200144.db2.gz	DUYFQYOHZRZEAZ-WIMUKIRHSA-N	1	0	327.341	-2.803	10	30		EAEERO
CN[C@H]1NS(=O)(=O)N[C@H]1N1CCc2nc(NC(N)=[NH2+])sc2C1	ZINC000033905809	685200298	/nfs/dbraw/zinc/20/02/98/685200298.db2.gz	KEKFFTFOPQBVHK-YUMQZZPRSA-N	1	0	346.442	-2.285	10	30		EAEERO
CN[C@@H]1NS(=O)(=O)N[C@H]1N1CCc2nc(NC(N)=[NH2+])sc2C1	ZINC000033905811	685200269	/nfs/dbraw/zinc/20/02/69/685200269.db2.gz	KEKFFTFOPQBVHK-SFYZADRCSA-N	1	0	346.442	-2.285	10	30		EAEERO
Cc1cc(S(=O)(=O)NCCS(N)(=O)=O)ccc1C#CC[NH3+]	ZINC000037581734	685593930	/nfs/dbraw/zinc/59/39/30/685593930.db2.gz	SCNCFIYYSZLHKG-UHFFFAOYSA-N	1	0	331.419	-1.128	10	30		EAEERO
Cc1ccc(C#CC[NH3+])cc1S(=O)(=O)NCCS(N)(=O)=O	ZINC000037581736	685594341	/nfs/dbraw/zinc/59/43/41/685594341.db2.gz	FPRCMISOCHTAKK-UHFFFAOYSA-N	1	0	331.419	-1.128	10	30		EAEERO
Cc1ccc(S(=O)(=O)NCCS(N)(=O)=O)c(C#CC[NH3+])c1	ZINC000037581737	685594209	/nfs/dbraw/zinc/59/42/09/685594209.db2.gz	APQJANWAUCAHDE-UHFFFAOYSA-N	1	0	331.419	-1.128	10	30		EAEERO
NS(=O)(=O)CCNS(=O)(=O)c1ccc(F)cc1C#CC[NH3+]	ZINC000037581738	685593909	/nfs/dbraw/zinc/59/39/09/685593909.db2.gz	PRKLQTXDNMGCPW-UHFFFAOYSA-N	1	0	335.382	-1.297	10	30		EAEERO
CS(=O)(=O)NCCNS(=O)(=O)c1ccc(C#CC[NH3+])cc1	ZINC000037581796	685594299	/nfs/dbraw/zinc/59/42/99/685594299.db2.gz	GLUSWCOPYHHXAU-UHFFFAOYSA-N	1	0	331.419	-1.176	10	30		EAEERO
CS(=O)(=O)NCCNS(=O)(=O)c1cccc(C#CC[NH3+])c1	ZINC000037581797	685593915	/nfs/dbraw/zinc/59/39/15/685593915.db2.gz	VQASVIGNIQDKGV-UHFFFAOYSA-N	1	0	331.419	-1.176	10	30		EAEERO
CS(=O)(=O)NCCNS(=O)(=O)c1ccccc1C#CC[NH3+]	ZINC000037581798	685594134	/nfs/dbraw/zinc/59/41/34/685594134.db2.gz	DRYQZOYHTKQZHS-UHFFFAOYSA-N	1	0	331.419	-1.176	10	30		EAEERO
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC000039799620	685053992	/nfs/dbraw/zinc/05/39/92/685053992.db2.gz	HGKHPCFTRQDHCU-RKDXNWHRSA-N	1	0	328.373	-2.441	10	30		EAEERO
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC000039799623	685053629	/nfs/dbraw/zinc/05/36/29/685053629.db2.gz	HGKHPCFTRQDHCU-BDAKNGLRSA-N	1	0	328.373	-2.441	10	30		EAEERO
CC[C@H](C)[C@H](NC(=O)C[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000039817331	685101617	/nfs/dbraw/zinc/10/16/17/685101617.db2.gz	SXJHOPPTOJACOA-QXEWZRGKSA-N	1	0	344.416	-1.901	10	30		EAEERO
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC000039831124	685164043	/nfs/dbraw/zinc/16/40/43/685164043.db2.gz	HGKHPCFTRQDHCU-DTWKUNHWSA-N	1	0	328.373	-2.441	10	30		EAEERO
[NH3+]CC#Cc1cncc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1	ZINC000044258023	685072894	/nfs/dbraw/zinc/07/28/94/685072894.db2.gz	XCPQQVSPNWIAGW-LLVKDONJSA-N	1	0	329.403	-1.143	10	30		EAEERO
[NH3+]CC#Cc1cncc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1	ZINC000044258027	685073151	/nfs/dbraw/zinc/07/31/51/685073151.db2.gz	XCPQQVSPNWIAGW-NSHDSACASA-N	1	0	329.403	-1.143	10	30		EAEERO
[NH3+]CC#Cc1cncc(S(=O)(=O)N2CCS(=O)(=O)CC2)c1	ZINC000044258429	685073078	/nfs/dbraw/zinc/07/30/78/685073078.db2.gz	LRCOOUFCYBZTLB-UHFFFAOYSA-N	1	0	329.403	-1.189	10	30		EAEERO
CS(=O)(=O)NCCNS(=O)(=O)c1cncc(C#CC[NH3+])c1	ZINC000044258554	685072936	/nfs/dbraw/zinc/07/29/36/685072936.db2.gz	NZJQVPUWBYVQSL-UHFFFAOYSA-N	1	0	332.407	-1.781	10	30		EAEERO
NS(=O)(=O)CCCNS(=O)(=O)c1ccc(C#CC[NH3+])cc1	ZINC000045091911	685073632	/nfs/dbraw/zinc/07/36/32/685073632.db2.gz	JAIPIDVDAUYARP-UHFFFAOYSA-N	1	0	331.419	-1.046	10	30		EAEERO
NS(=O)(=O)CCCNS(=O)(=O)c1cccc(C#CC[NH3+])c1	ZINC000045091912	685073824	/nfs/dbraw/zinc/07/38/24/685073824.db2.gz	YECIDMROYWGYDB-UHFFFAOYSA-N	1	0	331.419	-1.046	10	30		EAEERO
NS(=O)(=O)CCCNS(=O)(=O)c1ccccc1C#CC[NH3+]	ZINC000045091913	685073746	/nfs/dbraw/zinc/07/37/46/685073746.db2.gz	KHKXJTBJARHLGP-UHFFFAOYSA-N	1	0	331.419	-1.046	10	30		EAEERO
NS(=O)(=O)CCCNS(=O)(=O)c1cncc(C#CC[NH3+])c1	ZINC000045091914	685073876	/nfs/dbraw/zinc/07/38/76/685073876.db2.gz	DGCITZNRIQEMNH-UHFFFAOYSA-N	1	0	332.407	-1.651	10	30		EAEERO
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC000060128083	685068614	/nfs/dbraw/zinc/06/86/14/685068614.db2.gz	HGKHPCFTRQDHCU-IUCAKERBSA-N	1	0	328.373	-2.441	10	30		EAEERO
CCc1nc2n(n1)C[C@H](NC(NCCNS(C)(=O)=O)=[NH+]C)CC2	ZINC000124974014	583448022	/nfs/dbraw/zinc/44/80/22/583448022.db2.gz	MHWIYAWVMMTSMR-SNVBAGLBSA-N	1	0	343.457	-1.131	10	30		EAEERO
CCc1nc2n(n1)C[C@@H](NC(NCCNS(C)(=O)=O)=[NH+]C)CC2	ZINC000124974244	583448072	/nfs/dbraw/zinc/44/80/72/583448072.db2.gz	MHWIYAWVMMTSMR-JTQLQIEISA-N	1	0	343.457	-1.131	10	30		EAEERO
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000136072966	685068560	/nfs/dbraw/zinc/06/85/60/685068560.db2.gz	ZATRYQNPUHGXCU-IUCAKERBSA-N	1	0	328.373	-2.441	10	30		EAEERO
NS(=O)(=O)CCNS(=O)(=O)c1ccc(C#CC[NH3+])cc1F	ZINC000162182935	685077487	/nfs/dbraw/zinc/07/74/87/685077487.db2.gz	HJZGTEAXRMTJBJ-UHFFFAOYSA-N	1	0	335.382	-1.297	10	30		EAEERO
O=C(CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCC[NH2+]1)NCCS	ZINC000214954521	685120715	/nfs/dbraw/zinc/12/07/15/685120715.db2.gz	RBNPMODKPVRTPI-GHMZBOCLSA-N	1	0	328.438	-1.108	10	30		EAEERO
O=C(CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)NCCS	ZINC000214954567	685149404	/nfs/dbraw/zinc/14/94/04/685149404.db2.gz	RBNPMODKPVRTPI-WDEREUQCSA-N	1	0	328.438	-1.108	10	30		EAEERO
O=C(CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC[NH2+]1)NCCS	ZINC000214954618	685177187	/nfs/dbraw/zinc/17/71/87/685177187.db2.gz	RBNPMODKPVRTPI-MNOVXSKESA-N	1	0	328.438	-1.108	10	30		EAEERO
[NH3+]CC(=O)NCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCCS	ZINC000215035772	685149362	/nfs/dbraw/zinc/14/93/62/685149362.db2.gz	KBHBTSFEIDRPHL-SECBINFHSA-N	1	0	328.398	-2.442	10	30		EAEERO
C[NH+]=C(NCCNS(C)(=O)=O)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261655221	685055285	/nfs/dbraw/zinc/05/52/85/685055285.db2.gz	ALJYSGUHVZPPOX-CYBMUJFWSA-N	1	0	331.442	-1.287	10	30		EAEERO
C[NH+]=C(NCCNS(C)(=O)=O)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261655225	685055434	/nfs/dbraw/zinc/05/54/34/685055434.db2.gz	ALJYSGUHVZPPOX-ZDUSSCGKSA-N	1	0	331.442	-1.287	10	30		EAEERO
C[NH+]=C(NCCNS(C)(=O)=O)N1CCN(Cc2ccon2)CC1	ZINC000261691929	685056182	/nfs/dbraw/zinc/05/61/82/685056182.db2.gz	FFLKDLSRBVAEFA-UHFFFAOYSA-N	1	0	344.441	-1.083	10	30		EAEERO
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261723638	668782883	/nfs/dbraw/zinc/78/28/83/668782883.db2.gz	KXYXRKMPJWUAJP-CYBMUJFWSA-N	1	0	340.472	-1.226	10	30		EAEERO
C[NH+]=C(NC[C@H]1CN(C)CCO1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261723642	668782817	/nfs/dbraw/zinc/78/28/17/668782817.db2.gz	KXYXRKMPJWUAJP-ZDUSSCGKSA-N	1	0	340.472	-1.226	10	30		EAEERO
C[NH+]=C(NCC(=O)NCCOC)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261741677	685055904	/nfs/dbraw/zinc/05/59/04/685055904.db2.gz	KRVGPHZRARBEPA-HNNXBMFYSA-N	1	0	325.413	-1.074	10	30		EAEERO
C[NH+]=C(NCC(=O)NCCOC)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261741680	685056165	/nfs/dbraw/zinc/05/61/65/685056165.db2.gz	KRVGPHZRARBEPA-OAHLLOKOSA-N	1	0	325.413	-1.074	10	30		EAEERO
C[NH+]=C(NCCN1C(=O)CNC1=O)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261761221	685055633	/nfs/dbraw/zinc/05/56/33/685055633.db2.gz	MZUROUJZWCTJLS-HNNXBMFYSA-N	1	0	336.396	-1.284	10	30		EAEERO
C[NH+]=C(NCCN1C(=O)CNC1=O)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261761225	685056030	/nfs/dbraw/zinc/05/60/30/685056030.db2.gz	MZUROUJZWCTJLS-OAHLLOKOSA-N	1	0	336.396	-1.284	10	30		EAEERO
C[NH+]=C(NCCN1C(=O)CNC1=O)N1CCN(Cc2ccon2)CC1	ZINC000261790587	685057599	/nfs/dbraw/zinc/05/75/99/685057599.db2.gz	QGWTUWXTADMSNQ-UHFFFAOYSA-N	1	0	349.395	-1.081	10	30		EAEERO
C[NH+]=C(NCCN1C(=O)CNC1=O)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261858424	668810453	/nfs/dbraw/zinc/81/04/53/668810453.db2.gz	YZFKLPJTESMJBB-GFCCVEGCSA-N	1	0	349.395	-1.079	10	30		EAEERO
C[NH+]=C(NCCN1C(=O)CNC1=O)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261858427	668810490	/nfs/dbraw/zinc/81/04/90/668810490.db2.gz	YZFKLPJTESMJBB-LBPRGKRZSA-N	1	0	349.395	-1.079	10	30		EAEERO
C[NH+]=C(NCc1nncn1C)N1CCN(CCC(=O)N(C)C)CC1	ZINC000261996519	685068715	/nfs/dbraw/zinc/06/87/15/685068715.db2.gz	SPJDXIWRDIUSDQ-UHFFFAOYSA-N	1	0	336.444	-1.014	10	30		EAEERO
CCS(=O)(=O)NCCNC(=[NH+]C)N1CC[C@@H](N2CCOCC2)C1	ZINC000262434918	685079487	/nfs/dbraw/zinc/07/94/87/685079487.db2.gz	FZJKEXJQFXBCQI-CYBMUJFWSA-N	1	0	347.485	-1.092	10	30		EAEERO
CCS(=O)(=O)NCCNC(=[NH+]C)N1CC[C@H](N2CCOCC2)C1	ZINC000262434921	685079818	/nfs/dbraw/zinc/07/98/18/685079818.db2.gz	FZJKEXJQFXBCQI-ZDUSSCGKSA-N	1	0	347.485	-1.092	10	30		EAEERO
C[NH+]=C(NCCNS(C)(=O)=O)N1CC[C@@H](N2CCOCC2)C1	ZINC000262500915	685079864	/nfs/dbraw/zinc/07/98/64/685079864.db2.gz	YHASLSLTZBHTSA-GFCCVEGCSA-N	1	0	333.458	-1.483	10	30		EAEERO
C[NH+]=C(NCCNS(C)(=O)=O)N1CC[C@H](N2CCOCC2)C1	ZINC000262500919	685079763	/nfs/dbraw/zinc/07/97/63/685079763.db2.gz	YHASLSLTZBHTSA-LBPRGKRZSA-N	1	0	333.458	-1.483	10	30		EAEERO
C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CS(=O)(=O)CCO1	ZINC000262678290	685079574	/nfs/dbraw/zinc/07/95/74/685079574.db2.gz	UUYCHMOEHLFYCR-GFCCVEGCSA-N	1	0	334.442	-1.703	10	30		EAEERO
C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CS(=O)(=O)CCO1	ZINC000262678291	685079898	/nfs/dbraw/zinc/07/98/98/685079898.db2.gz	UUYCHMOEHLFYCR-LBPRGKRZSA-N	1	0	334.442	-1.703	10	30		EAEERO
C[NH+]=C(NCc1cn(CC(=O)OC)nn1)N1CCN(C(C)=O)CC1	ZINC000262803993	685597219	/nfs/dbraw/zinc/59/72/19/685597219.db2.gz	WGQFMEPOGVWHFZ-UHFFFAOYSA-N	1	0	337.384	-1.309	10	30		EAEERO
C[NH+]=C(NCCN1C(=O)CNC1=O)NCc1nnc2ccccn21	ZINC000263041546	685079466	/nfs/dbraw/zinc/07/94/66/685079466.db2.gz	DSNFCZDVUXYDIX-UHFFFAOYSA-N	1	0	330.352	-1.054	10	30		EAEERO
C[NH+]=C(NCCNC(=O)c1cnccn1)N1CCN(C(C)=O)CC1	ZINC000263258033	374602803	/nfs/dbraw/zinc/60/28/03/374602803.db2.gz	RMHAEFYWOUMIAC-UHFFFAOYSA-N	1	0	333.396	-1.054	10	30		EAEERO
C[NH+]=C(NCCNS(C)(=O)=O)NCc1nnc2ccccn21	ZINC000263279332	374605428	/nfs/dbraw/zinc/60/54/28/374605428.db2.gz	ZRLFIUJFNGZCEW-UHFFFAOYSA-N	1	0	325.398	-1.057	10	30		EAEERO
C[NH+]=C([O-])C([N+]#N)=C([O-])N[n+]1cc(C(=S)N2CCOCC2)[nH]n1	ZINC000575083905	375102763	/nfs/dbraw/zinc/10/27/63/375102763.db2.gz	RGBHDRNKDKIFEV-UHFFFAOYSA-P	1	0	340.369	-1.425	10	30		EAEERO
NC(=O)[C@H](Cc1c[nH]cn1)N(CCS)C(=O)CNC(=O)C[NH3+]	ZINC000585669340	685155832	/nfs/dbraw/zinc/15/58/32/685155832.db2.gz	QKHZTLIMHMGTTE-VIFPVBQESA-N	1	0	328.398	-2.361	10	30		EAEERO
C=CCN1C(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H]2NC(=[NH2+])N[C@H](O)[C@H]21	ZINC000605693067	685152915	/nfs/dbraw/zinc/15/29/15/685152915.db2.gz	JNGCMSATPILBQB-BDPPMVHVSA-N	1	0	343.340	-3.510	10	30		EAEERO
C=CCN1C(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H]2NC(=[NH2+])N[C@H](O)[C@@H]21	ZINC000605693068	685152970	/nfs/dbraw/zinc/15/29/70/685152970.db2.gz	JNGCMSATPILBQB-FTNXBSGPSA-N	1	0	343.340	-3.510	10	30		EAEERO
C=CCN1C(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H]2NC(=[NH2+])N[C@@H](O)[C@H]21	ZINC000605693069	685152931	/nfs/dbraw/zinc/15/29/31/685152931.db2.gz	JNGCMSATPILBQB-JXQNRAMSSA-N	1	0	343.340	-3.510	10	30		EAEERO
C=CCN1C(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H]2NC(=[NH2+])N[C@@H](O)[C@@H]21	ZINC000605693070	685152911	/nfs/dbraw/zinc/15/29/11/685152911.db2.gz	JNGCMSATPILBQB-LQOFTZDRSA-N	1	0	343.340	-3.510	10	30		EAEERO
C=CCO[C@@H]1N[C@H]2[C@H](NC(N)=[NH+][C@H]2O)N1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000605694407	685152909	/nfs/dbraw/zinc/15/29/09/685152909.db2.gz	GVLNVJSZHGGIDF-FTNYPXLOSA-N	1	0	345.356	-4.043	10	30		EAEERO
C=CCO[C@@H]1N[C@H]2[C@H](NC(N)=[NH+][C@H]2O)N1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000605694408	685152873	/nfs/dbraw/zinc/15/28/73/685152873.db2.gz	GVLNVJSZHGGIDF-IATGWZQBSA-N	1	0	345.356	-4.043	10	30		EAEERO
C=CCO[C@@H]1N[C@H]2[C@@H](NC(N)=[NH+][C@H]2O)N1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000605694409	685152984	/nfs/dbraw/zinc/15/29/84/685152984.db2.gz	GVLNVJSZHGGIDF-IYHJOMKHSA-N	1	0	345.356	-4.043	10	30		EAEERO
C=CCO[C@@H]1N[C@H]2[C@@H](NC(N)=[NH+][C@H]2O)N1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000605694410	685152986	/nfs/dbraw/zinc/15/29/86/685152986.db2.gz	GVLNVJSZHGGIDF-WLJUCZDGSA-N	1	0	345.356	-4.043	10	30		EAEERO
C=CCN1C(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H]2NC(=[NH2+])N[C@@H](O)[C@@H]21	ZINC000605704617	685153853	/nfs/dbraw/zinc/15/38/53/685153853.db2.gz	JNGCMSATPILBQB-IOZXZGRQSA-N	1	0	343.340	-3.510	10	30		EAEERO
C=CCN1C(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H]2NC(=[NH2+])N[C@H](O)[C@H]21	ZINC000605704618	685153995	/nfs/dbraw/zinc/15/39/95/685153995.db2.gz	JNGCMSATPILBQB-QORADQBASA-N	1	0	343.340	-3.510	10	30		EAEERO
C=CCN1C(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H]2NC(=[NH2+])N[C@@H](O)[C@H]21	ZINC000605704619	685153819	/nfs/dbraw/zinc/15/38/19/685153819.db2.gz	JNGCMSATPILBQB-RAFDWRRTSA-N	1	0	343.340	-3.510	10	30		EAEERO
C=CCN1C(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H]2NC(=[NH2+])N[C@H](O)[C@@H]21	ZINC000605704620	685153893	/nfs/dbraw/zinc/15/38/93/685153893.db2.gz	JNGCMSATPILBQB-WSNQXSRCSA-N	1	0	343.340	-3.510	10	30		EAEERO
NC(=O)CN(CCS)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1	ZINC000643598816	685603489	/nfs/dbraw/zinc/60/34/89/685603489.db2.gz	UQWONLNNYOTUII-QWRGUYRKSA-N	1	0	328.438	-1.027	10	30		EAEERO
C#CCn1ncc(N2CC[NH2+]C[C@@H]2C(N)=O)c(Br)c1=O	ZINC000722107454	686443021	/nfs/dbraw/zinc/44/30/21/686443021.db2.gz	WLDOGFRUEADUBA-SECBINFHSA-N	1	0	340.181	-1.098	10	30		EAEERO
C#CCn1ncc(N2CC[NH2+]C[C@H]2C(N)=O)c(Br)c1=O	ZINC000722107587	686443089	/nfs/dbraw/zinc/44/30/89/686443089.db2.gz	WLDOGFRUEADUBA-VIFPVBQESA-N	1	0	340.181	-1.098	10	30		EAEERO
C#CCn1ncc(NC2(C(N)=O)C[NH2+]C2)c(Br)c1=O	ZINC000722137252	686443100	/nfs/dbraw/zinc/44/31/00/686443100.db2.gz	CSNOWMCIAJCASW-UHFFFAOYSA-N	1	0	326.154	-1.122	10	30		EAEERO