smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(NCCO)=[NH+]N	1723363	166069200	/nfs/dbraw/zinc/06/92/00/166069200.db2.gz	MEQYUQVUHANPDO-UHFFFAOYSA-N	1	2	132.167	-1.983	40	30		AAEBLO
C[NH+]=CC1C(=O)NC(=O)NC1=O	100272119	166072351	/nfs/dbraw/zinc/07/23/51/166072351.db2.gz	DFYYRVRBBKKZIU-FARCUNLSSA-N	1	2	169.140	-1.183	40	30		AAEBLO
CC(=O)NC(=[NH2+])NC#N	5430946	166253760	/nfs/dbraw/zinc/25/37/60/166253760.db2.gz	DGQUYCPHSDRPJV-UHFFFAOYSA-N	1	2	126.119	-1.082	40	30		AAEBLO
CC(=O)NC(=[NH2+])N/N=C(C)\C=N/N	17378181	166268291	/nfs/dbraw/zinc/26/82/91/166268291.db2.gz	TTXXZZRPIXKPOR-URRMYTEESA-N	1	2	184.203	-1.033	40	30		AAEBLO
CC(=O)NC(=[NH2+])N/N=C(C)/C=N\N	104068810	166269117	/nfs/dbraw/zinc/26/91/17/166269117.db2.gz	TTXXZZRPIXKPOR-NAYJDIOTSA-N	1	2	184.203	-1.033	40	30		AAEBLO
N#CCNC(=O)CN1CC[NH2+]CC1=O	51666469	169097162	/nfs/dbraw/zinc/09/71/62/169097162.db2.gz	HPOSVVHCVBPATJ-UHFFFAOYSA-N	1	2	196.210	-1.942	40	30		AAEBLO
N#C[C@@H]1CN[C@@H]([NH3+])N[C@@H]1N	19327157	169107951	/nfs/dbraw/zinc/10/79/51/169107951.db2.gz	QMLSMSICNBXNLJ-MROZADKFSA-N	1	2	141.178	-2.154	40	30	in-vitro	AAEBLO
N#C[C@@H]1CN[C@@H]([NH3+])N[C@H]1N	19327151	169108704	/nfs/dbraw/zinc/10/87/04/169108704.db2.gz	QMLSMSICNBXNLJ-UOWFLXDJSA-N	1	2	141.178	-2.154	40	30	in-vitro	AAEBLO
N#C[C@H]1CN[C@@H]([NH3+])N[C@H]1N	19327149	169113244	/nfs/dbraw/zinc/11/32/44/169113244.db2.gz	QMLSMSICNBXNLJ-VPENINKCSA-N	1	2	141.178	-2.154	40	30	in-vitro	AAEBLO
N#C[C@H]1CN[C@@H]([NH3+])N[C@@H]1N	19327154	169113345	/nfs/dbraw/zinc/11/33/45/169113345.db2.gz	QMLSMSICNBXNLJ-VAYJURFESA-N	1	2	141.178	-2.154	40	30	in-vitro	AAEBLO
NC(=[NH2+])NN=C1C(=O)NC(=O)NC1=O	1694246	169139730	/nfs/dbraw/zinc/13/97/30/169139730.db2.gz	AZSXBEFZCPXNHR-UHFFFAOYSA-N	1	2	198.142	-2.809	40	30		AAEBLO
NC(=[NH2+])Nc1c(N)ncnc1N	5163020	169167506	/nfs/dbraw/zinc/16/75/06/169167506.db2.gz	YCPJFKZPCFYIPN-UHFFFAOYSA-N	1	2	167.176	-1.454	40	30		AAEBLO
NC(N)=[NH+]N=C[C@@H](O)CO	5829458	169167981	/nfs/dbraw/zinc/16/79/81/169167981.db2.gz	ACSYALOQAPPWCK-GMQGZGKMSA-N	1	2	146.150	-2.401	40	30		AAEBLO
NC(=[NH2+])N=NCC[C@H](O)CO	17003946	169168158	/nfs/dbraw/zinc/16/81/58/169168158.db2.gz	HWSVZPWNSMFONU-JYYNAFNISA-N	1	2	160.177	-2.011	40	30		AAEBLO
NC(N)=[NH+]N=CC[C@H](O)CO	17003946	169168159	/nfs/dbraw/zinc/16/81/59/169168159.db2.gz	HWSVZPWNSMFONU-JYYNAFNISA-N	1	2	160.177	-2.011	40	30		AAEBLO
NC(N)=[NH+]N=C[C@@H](O)CO	5829454	169168475	/nfs/dbraw/zinc/16/84/75/169168475.db2.gz	ACSYALOQAPPWCK-RBCUKFSOSA-N	1	2	146.150	-2.401	40	30		AAEBLO
C[NH2+]CC(=O)ON1C(=O)CCC1=O	59520565	343345412	/nfs/dbraw/zinc/34/54/12/343345412.db2.gz	GSAUBQHOBYUTGJ-UHFFFAOYSA-N	1	2	186.167	-1.187	40	30		AAEBLO
C#CCOC(=O)[C@H]([NH3+])CC(N)=O	31870779	351423430	/nfs/dbraw/zinc/42/34/30/351423430.db2.gz	NTGQMWKVMKQQIU-RXMQYKEDSA-N	1	2	170.168	-1.635	40	30	in-vitro	AAEBLO
C#CCOC(=O)[C@@H]([NH3+])CC(N)=O	31870778	351423654	/nfs/dbraw/zinc/42/36/54/351423654.db2.gz	NTGQMWKVMKQQIU-YFKPBYRVSA-N	1	2	170.168	-1.635	40	30	in-vitro	AAEBLO