smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(NCC[C@H](C)[N@@H+](C)Cc1ccccc1)=[NH+]C	ZINC000081795438	362214064	/nfs/dbraw/zinc/21/40/64/362214064.db2.gz	OZRKLIOMPXLRMX-ZDUSSCGKSA-N	2	1	262.401	1.692	40	30		CDEBMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCCC#N)c1	ZINC000017040027	356452778	/nfs/dbraw/zinc/45/27/78/356452778.db2.gz	GJLWZPKFGPHQGV-UHFFFAOYSA-N	2	1	286.339	1.165	40	30		CDEBMP
C[NH+](C)[C@@H]1COC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]21	ZINC000096185722	375061281	/nfs/dbraw/zinc/06/12/81/375061281.db2.gz	UAXBNOICCQJKFT-YESZJQIVSA-N	2	1	285.391	1.567	40	30		CDEBMP
C[NH+](C)[C@@H]1COC[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21	ZINC000096185722	375061289	/nfs/dbraw/zinc/06/12/89/375061289.db2.gz	UAXBNOICCQJKFT-YESZJQIVSA-N	2	1	285.391	1.567	40	30		CDEBMP
CC[NH+](CC)[C@@H](CNC(=[NH2+])N(C)C)c1ccccc1	ZINC000170906534	362106200	/nfs/dbraw/zinc/10/62/00/362106200.db2.gz	OFEBGSYQGAYTCL-AWEZNQCLSA-N	2	1	262.401	1.946	40	30		CDEBMP
Cc1ccc(NC2=[NH+]C3(CCCC3)NC(=[NH2+])N2)cc1	ZINC000000203776	390135061	/nfs/dbraw/zinc/13/50/61/390135061.db2.gz	DUQVLTOGLKVROD-UHFFFAOYSA-N	2	1	257.341	1.970	40	30		CDEBMP
C=CC1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1	ZINC000225770546	375199947	/nfs/dbraw/zinc/19/99/47/375199947.db2.gz	HBOVGPURDURBQH-UHFFFAOYSA-N	2	1	265.401	1.049	40	30		CDEBMP
CNC(NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)=[NH+]C	ZINC000081795443	362214022	/nfs/dbraw/zinc/21/40/22/362214022.db2.gz	OZRKLIOMPXLRMX-CYBMUJFWSA-N	2	1	262.401	1.692	40	30		CDEBMP
C[C@H]1CCCN(C(=[NH2+])NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)C1	ZINC000090064966	358460072	/nfs/dbraw/zinc/46/00/72/358460072.db2.gz	CTDSHXSVVDPQQG-ZNMIVQPWSA-N	2	1	294.443	1.286	40	30		CDEBMP
C[C@H]1CCCN(C(=[NH2+])NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)C1	ZINC000090064966	358460075	/nfs/dbraw/zinc/46/00/75/358460075.db2.gz	CTDSHXSVVDPQQG-ZNMIVQPWSA-N	2	1	294.443	1.286	40	30		CDEBMP
CC[NH+](CC)[C@H](CNC(=[NH2+])N(C)C)c1ccccc1	ZINC000170906536	362106164	/nfs/dbraw/zinc/10/61/64/362106164.db2.gz	OFEBGSYQGAYTCL-CQSZACIVSA-N	2	1	262.401	1.946	40	30		CDEBMP
COc1ccc([C@](C#N)(CC[NH+](C)C)C[NH+](C)C)cc1	ZINC000002047902	286381125	/nfs/dbraw/zinc/38/11/25/286381125.db2.gz	BPLSAGGTLCJGCS-INIZCTEOSA-N	2	1	275.396	1.970	40	30		CDEBMP
COC1CC[NH+](CCNC(=[NH2+])N2CCC[C@@H](C)C2)CC1	ZINC000079918431	347660969	/nfs/dbraw/zinc/66/09/69/347660969.db2.gz	IRRBRVLADNIJNC-CYBMUJFWSA-N	2	1	282.432	1.144	40	30		CDEBMP
CC#CCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000156630827	188274020	/nfs/dbraw/zinc/27/40/20/188274020.db2.gz	HSZBPFHQJFLASN-UHFFFAOYSA-N	2	1	291.439	1.276	40	30		CDEBMP
Cn1c(-c2ccc(C=NNC(N)=[NH2+])cc2)c[n+]2ccccc12	ZINC000006072359	170174281	/nfs/dbraw/zinc/17/42/81/170174281.db2.gz	ULNMCQRZYXLRSD-VXLYETTFSA-N	2	1	293.354	1.038	40	30		CDEBMP
COc1ccc([C@@](C#N)(CC[NH+](C)C)C[NH+](C)C)cc1	ZINC000001675356	355946450	/nfs/dbraw/zinc/94/64/50/355946450.db2.gz	BPLSAGGTLCJGCS-MRXNPFEDSA-N	2	1	275.396	1.970	40	30		CDEBMP
C=CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccccn3)CC[C@@H]2C1	ZINC000096249627	390984254	/nfs/dbraw/zinc/98/42/54/390984254.db2.gz	SKHXVTZQUKBSAD-NVXWUHKLSA-N	2	1	287.407	1.790	40	30		CDEBMP
C=CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccccn3)CC[C@@H]2C1	ZINC000096249627	390984256	/nfs/dbraw/zinc/98/42/56/390984256.db2.gz	SKHXVTZQUKBSAD-NVXWUHKLSA-N	2	1	287.407	1.790	40	30		CDEBMP
C=CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccccn3)CC[C@@H]2C1	ZINC000096249627	390984259	/nfs/dbraw/zinc/98/42/59/390984259.db2.gz	SKHXVTZQUKBSAD-NVXWUHKLSA-N	2	1	287.407	1.790	40	30		CDEBMP
C=CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccccn3)CC[C@@H]2C1	ZINC000096249627	390984263	/nfs/dbraw/zinc/98/42/63/390984263.db2.gz	SKHXVTZQUKBSAD-NVXWUHKLSA-N	2	1	287.407	1.790	40	30		CDEBMP
C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)C1	ZINC000090064964	358459597	/nfs/dbraw/zinc/45/95/97/358459597.db2.gz	CTDSHXSVVDPQQG-RRFJBIMHSA-N	2	1	294.443	1.286	40	30		CDEBMP
C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)C1	ZINC000090064964	358459600	/nfs/dbraw/zinc/45/96/00/358459600.db2.gz	CTDSHXSVVDPQQG-RRFJBIMHSA-N	2	1	294.443	1.286	40	30		CDEBMP
Cn1c(-c2ccc(C=NNC(N)=[NH2+])cc2)c[n+]2ccccc12	ZINC000031430561	171637883	/nfs/dbraw/zinc/63/78/83/171637883.db2.gz	ULNMCQRZYXLRSD-GRSHGNNSSA-N	2	1	293.354	1.038	40	30		CDEBMP
N=C(Nc1ccc(C(N)=[NH2+])cc1)Nc1ccc(C(N)=[NH2+])cc1	ZINC000005933192	170157319	/nfs/dbraw/zinc/15/73/19/170157319.db2.gz	GNCFBELKTZXQJO-UHFFFAOYSA-N	2	1	295.350	1.313	40	30		CDEBMP
COC1CC[NH+](CCNC(=[NH2+])N2CCC[C@H](C)C2)CC1	ZINC000079918436	347660758	/nfs/dbraw/zinc/66/07/58/347660758.db2.gz	IRRBRVLADNIJNC-ZDUSSCGKSA-N	2	1	282.432	1.144	40	30		CDEBMP
C[NH+](C)[C@H]1COC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]21	ZINC000096186813	375061514	/nfs/dbraw/zinc/06/15/14/375061514.db2.gz	UAXBNOICCQJKFT-ULQDDVLXSA-N	2	1	285.391	1.567	40	30		CDEBMP
C[NH+](C)[C@H]1COC[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21	ZINC000096186813	375061522	/nfs/dbraw/zinc/06/15/22/375061522.db2.gz	UAXBNOICCQJKFT-ULQDDVLXSA-N	2	1	285.391	1.567	40	30		CDEBMP