smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CC[NH+](CCO)CC2)SC1=S	ZINC000019707372	556866834	/nfs/dbraw/zinc/86/68/34/556866834.db2.gz	RVBJQSUUCNXCFY-OWBHPGMISA-N	1	1	431.543	0.640	50	10		ICCAMO
O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNCCN1CC[NH2+]CC1	ZINC000019950179	556954516	/nfs/dbraw/zinc/95/45/16/556954516.db2.gz	XAFXQGYZUVSCOY-SDNWHVSQSA-N	1	1	427.452	0.832	50	10		ICCAMO
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(N3CC[NH+](CCO)CC3)nc12	ZINC000020100660	556979928	/nfs/dbraw/zinc/97/99/28/556979928.db2.gz	NXTDCEYTASVWLJ-QINSGFPZSA-N	1	1	445.570	0.948	50	10		ICCAMO
CCN1C(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)C(=O)NC1=S	ZINC000020410583	569363965	/nfs/dbraw/zinc/36/39/65/569363965.db2.gz	UNKSUKDDVDDQEP-RPHSKFLZSA-N	1	1	432.502	0.690	50	10	biogenic	ICCAMO
CCN1C(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)C(=O)NC1=S	ZINC000020410583	569363963	/nfs/dbraw/zinc/36/39/63/569363963.db2.gz	UNKSUKDDVDDQEP-RPHSKFLZSA-N	1	1	432.502	0.690	50	10	biogenic	ICCAMO
CCN1C(=O)C(=CNC[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)C(=O)NC1=S	ZINC000020410586	569363986	/nfs/dbraw/zinc/36/39/86/569363986.db2.gz	UNKSUKDDVDDQEP-YQCJOKCJSA-N	1	1	432.502	0.690	50	10	biogenic	ICCAMO
CCN1C(=O)C(=CNC[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)C(=O)NC1=S	ZINC000020410586	569363984	/nfs/dbraw/zinc/36/39/84/569363984.db2.gz	UNKSUKDDVDDQEP-YQCJOKCJSA-N	1	1	432.502	0.690	50	10	biogenic	ICCAMO
CN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CC[NH+](CCO)CC2)SC1=S	ZINC000027016716	568937984	/nfs/dbraw/zinc/93/79/84/568937984.db2.gz	RVBJQSUUCNXCFY-WYMLVPIESA-N	1	1	431.543	0.640	50	10		ICCAMO
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(N3CC[NH+](CCO)CC3)nc12	ZINC000033352512	557334112	/nfs/dbraw/zinc/33/41/12/557334112.db2.gz	NXTDCEYTASVWLJ-NTCAYCPXSA-N	1	1	445.570	0.948	50	10		ICCAMO
O=C(CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1CC[NH+](CCO)CC1	ZINC000054361037	568940748	/nfs/dbraw/zinc/94/07/48/568940748.db2.gz	VHSMHOZJFOCCLO-YBEGLDIGSA-N	1	1	435.527	0.753	50	10		ICCAMO
COc1ccc(N2CC[NH+](CCNC(=O)CNS(=O)(=O)c3cccs3)CC2)cc1	ZINC000058013065	569444973	/nfs/dbraw/zinc/44/49/73/569444973.db2.gz	OMCGSAWLLDUMRR-UHFFFAOYSA-N	1	1	438.575	0.973	50	10		ICCAMO
COc1c(O)c(C[N@H+]2CCC[C@@H](C)C2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000079189483	569327927	/nfs/dbraw/zinc/32/79/27/569327927.db2.gz	TZEJTLIGOOUPPJ-OZCNJMHKSA-N	1	1	439.461	0.031	50	10	biogenic	ICCAMO
COc1c(O)c(C[N@H+]2CCC[C@H](C)C2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000079189487	569327919	/nfs/dbraw/zinc/32/79/19/569327919.db2.gz	TZEJTLIGOOUPPJ-TXIZVEKNSA-N	1	1	439.461	0.031	50	10	biogenic	ICCAMO
COc1c(O)c(C[N@H+]2CCC[C@H](C)C2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000170622046	569147757	/nfs/dbraw/zinc/14/77/57/569147757.db2.gz	TZEJTLIGOOUPPJ-RPPRCVNYSA-N	1	1	439.461	0.031	50	10		ICCAMO
COc1c(O)c(C[N@H+]2CCC[C@H](C)C2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000223880736	568878009	/nfs/dbraw/zinc/87/80/09/568878009.db2.gz	TZEJTLIGOOUPPJ-WOYOINSBSA-N	1	1	439.461	0.031	50	10		ICCAMO
COc1c(O)c(C[N@H+]2CCC[C@H](C)C2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000225363385	569294149	/nfs/dbraw/zinc/29/41/49/569294149.db2.gz	TZEJTLIGOOUPPJ-PPWAEQEGSA-N	1	1	439.461	0.031	50	10		ICCAMO