smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1nc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)cc(C)[nH+]1	ZINC000065488307	454576277	/nfs/dbraw/zinc/57/62/77/454576277.db2.gz	SUBLQEHBKXSLNK-UHFFFAOYSA-N	2	2	340.471	3.074	50	10		EGCALP
Cc1nc(Cn2cc[nH+]c2-c2ccc(O)c(C[NH+](C)C)c2)sc1C	ZINC000071752564	454214365	/nfs/dbraw/zinc/21/43/65/454214365.db2.gz	PLDVAGDYJMEYNB-UHFFFAOYSA-N	2	2	342.468	3.439	50	10		EGCALP
CC[C@@H](c1nc(C)no1)n1cc[nH+]c1-c1ccc(O)c(C[NH+](C)C)c1	ZINC000077375442	454098434	/nfs/dbraw/zinc/09/84/34/454098434.db2.gz	YQHULDBTVSLIOM-HNNXBMFYSA-N	2	2	341.415	3.008	50	10		EGCALP
COCc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc1OC	ZINC000952978584	1334629216	/nfs/dbraw/zinc/62/92/16/1334629216.db2.gz	AXXORCLORYUGHW-UHFFFAOYSA-N	2	2	337.423	3.317	50	10		EGCALP
Cc1[nH]c2ccc(-n3ccnc3-c3ccc(O)c(C[NH+](C)C)c3)cc2[nH+]1	ZINC000071767955	454217363	/nfs/dbraw/zinc/21/73/63/454217363.db2.gz	DIOCJIYSTQAQOM-UHFFFAOYSA-N	2	2	347.422	3.491	50	10		EGCALP
CCCCN1CCCc2cc(C[NH2+]CCC[NH+]3CCOCC3)ccc21	ZINC000032919777	453897347	/nfs/dbraw/zinc/89/73/47/453897347.db2.gz	ZLIYXCYYCFHTPN-UHFFFAOYSA-N	2	2	345.531	3.051	50	10		EGCALP
Oc1ccc(F)cc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccncc1	ZINC000055119800	214275745	/nfs/dbraw/zinc/27/57/45/214275745.db2.gz	ADXIQEPEUQRBJB-UHFFFAOYSA-N	2	2	340.402	3.215	50	10		EGCALP
Oc1ccc(F)cc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccncc1	ZINC000055119800	214275751	/nfs/dbraw/zinc/27/57/51/214275751.db2.gz	ADXIQEPEUQRBJB-UHFFFAOYSA-N	2	2	340.402	3.215	50	10		EGCALP
CC[C@H](c1nc(C)no1)n1cc[nH+]c1-c1ccc(O)c(C[NH+](C)C)c1	ZINC000077375446	454098425	/nfs/dbraw/zinc/09/84/25/454098425.db2.gz	YQHULDBTVSLIOM-OAHLLOKOSA-N	2	2	341.415	3.008	50	10		EGCALP
Oc1c(F)cccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cccnc1	ZINC000055309070	214305116	/nfs/dbraw/zinc/30/51/16/214305116.db2.gz	JAFAAXJLTLGVFW-UHFFFAOYSA-N	2	2	340.402	3.215	50	10		EGCALP
Oc1c(F)cccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccnc1	ZINC000055309070	214305117	/nfs/dbraw/zinc/30/51/17/214305117.db2.gz	JAFAAXJLTLGVFW-UHFFFAOYSA-N	2	2	340.402	3.215	50	10		EGCALP
Oc1ccc(Br)cc1C[NH+]1CCC([NH+]2CCCC2)CC1	ZINC000002735008	452719408	/nfs/dbraw/zinc/71/94/08/452719408.db2.gz	HIQAWQABTTUWAF-UHFFFAOYSA-N	2	2	339.277	3.215	50	10		EGCALP