smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC[C@@H]([NH3+])c1cc(C(N)=O)ccc1O	72200447	169202999	/nfs/dbraw/zinc/20/29/99/169202999.db2.gz	OYSUBTGNVJUMEQ-SSDOTTSWSA-N	1	2	195.222	-0.550	10	10		ABCELO
NC[C@H]([NH3+])c1cc(C(N)=O)ccc1O	72200448	169212992	/nfs/dbraw/zinc/21/29/92/169212992.db2.gz	OYSUBTGNVJUMEQ-ZETCQYMHSA-N	1	2	195.222	-0.550	10	10		ABCELO
CC(=O)C(=O)C[NH+](C)C	39068401	171072848	/nfs/dbraw/zinc/07/28/48/171072848.db2.gz	IHNDMZQZZKPIRZ-UHFFFAOYSA-N	1	2	129.159	-0.294	10	10		ABCELO
N#[N+]c1nc2c(N)[nH+]cnc2[n-]1	39136990	351496508	/nfs/dbraw/zinc/49/65/08/351496508.db2.gz	VJHHWMOACOUVBW-UHFFFAOYSA-N	1	2	161.128	-0.966	10	10		ABCELO
C=S1(=O)C=C(OCC)NC(=[NH2+])C1	238254986	573023255	/nfs/dbraw/zinc/02/32/55/573023255.db2.gz	SLXIELDLJMIXBY-LBPRGKRZSA-N	1	2	188.252	-0.091	10	10		ABCELO
C=S1(=O)C=C(OCC)NC(=[NH2+])C1	238254993	573024958	/nfs/dbraw/zinc/02/49/58/573024958.db2.gz	SLXIELDLJMIXBY-GFCCVEGCSA-N	1	2	188.252	-0.091	10	10		ABCELO
N#[N+]c1ccc(=O)[nH]c1	72230831	572915801	/nfs/dbraw/zinc/91/58/01/572915801.db2.gz	HGSFAUNNHZNMPQ-UHFFFAOYSA-N	1	2	121.099	-0.176	10	10		ABCELO
N#[N+]c1ccc[nH]c1=O	72230832	572916682	/nfs/dbraw/zinc/91/66/82/572916682.db2.gz	IXIBNTWRLWOKCL-UHFFFAOYSA-N	1	2	121.099	-0.176	10	10		ABCELO
CC(=[NH2+])C(=N)C(N)=O	104643901	573114309	/nfs/dbraw/zinc/11/43/09/573114309.db2.gz	NTQJFJPBXPVGNI-UHFFFAOYSA-N	1	2	113.120	-0.469	10	10		ABCELO
C[C@@H](O)[C@@H]([NH3+])c1cc(O)[nH]c(=O)c1	238418473	573501757	/nfs/dbraw/zinc/50/17/57/573501757.db2.gz	WLBCPJZGBNVRPZ-SPGJFGJESA-N	1	2	184.195	-0.127	10	10		ABCELO
C[C@@]([NH3+])(CO)c1cc(O)[nH]c(=O)c1	238440595	573578754	/nfs/dbraw/zinc/57/87/54/573578754.db2.gz	AJHDWCYSTKWTHJ-MRVPVSSYSA-N	1	2	184.195	-0.341	10	10		ABCELO
C[C@@H](O)[C@H]([NH3+])c1cc(O)[nH]c(=O)c1	238454826	573631211	/nfs/dbraw/zinc/63/12/11/573631211.db2.gz	WLBCPJZGBNVRPZ-VHWMUFPASA-N	1	2	184.195	-0.127	10	10		ABCELO
C[C@H](O)[C@@H]([NH3+])c1cc(O)[nH]c(=O)c1	238463647	573644147	/nfs/dbraw/zinc/64/41/47/573644147.db2.gz	WLBCPJZGBNVRPZ-RNHFCUEFSA-N	1	2	184.195	-0.127	10	10		ABCELO
C[C@H](O)[C@H]([NH3+])c1cc(O)[nH]c(=O)c1	238489710	573734713	/nfs/dbraw/zinc/73/47/13/573734713.db2.gz	WLBCPJZGBNVRPZ-NVNXEXLPSA-N	1	2	184.195	-0.127	10	10		ABCELO
C[C@]([NH3+])(CO)c1cc(O)[nH]c(=O)c1	238508165	573762644	/nfs/dbraw/zinc/76/26/44/573762644.db2.gz	AJHDWCYSTKWTHJ-QMMMGPOBSA-N	1	2	184.195	-0.341	10	10		ABCELO
CCS(=O)(=O)Cc1[nH]c[nH+]c1N	257888805	573851446	/nfs/dbraw/zinc/85/14/46/573851446.db2.gz	IOTBKSYMBRECMD-UHFFFAOYSA-N	1	2	189.240	-0.073	10	10		ABCELO