smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCCCN[C@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000043273727	717128219	/nfs/dbraw/zinc/12/82/19/717128219.db2.gz	QBGJILLRNQHJAJ-HXUWFJFHSA-O	0	3	357.603	4.827	1	30		FJEFHN
CN1CC[C@H](N(Cc2ccc(Cl)cc2)c2ccc(C#N)c(Cl)c2)C1	ZINC000043013138	205100233	/nfs/dbraw/zinc/10/02/33/205100233.db2.gz	AIGXJDUFDDOCJM-SFHVURJKSA-N	0	3	360.288	4.576	1	30		FJEFHN
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)CCC)c1ccnc2ccccc21	ZINC000004368356	119348288	/nfs/dbraw/zinc/34/82/88/119348288.db2.gz	OHNDQUSNRRCMEC-SJQULFJYSA-N	0	3	364.489	4.516	1	30		FJEFHN
[O-]/N=C1\CCc2cc(-c3cc(C4CC[NH2+]CC4)oc3-c3ccncc3)ccc21	ZINC000004836270	204168536	/nfs/dbraw/zinc/16/85/36/204168536.db2.gz	HZKVHNJIBUDOPD-YYADALCUSA-N	0	3	373.456	4.600	1	30		FJEFHN
C=CCN(C)[C@H]1CCC[C@@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1	ZINC000028240205	210163765	/nfs/dbraw/zinc/16/37/65/210163765.db2.gz	WMNHJFGQTFDAOJ-IRXDYDNUSA-N	0	3	355.309	4.775	1	30		FJEFHN
CCOC(=O)C(C#N)[C@H](c1ccccc1OC)c1cccc2ccccc21	ZINC000028865541	211499589	/nfs/dbraw/zinc/49/95/89/211499589.db2.gz	BCMHUBAKWXCWES-IRLDBZIGSA-N	0	3	359.425	4.683	1	30		FJEFHN
CCCCCCCCCCCCCCN[C@@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000043273725	205102308	/nfs/dbraw/zinc/10/23/08/205102308.db2.gz	QBGJILLRNQHJAJ-FQEVSTJZSA-O	0	3	357.603	4.827	1	30		FJEFHN
CN1CCN(/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)CC1	ZINC000004871780	204171435	/nfs/dbraw/zinc/17/14/35/204171435.db2.gz	PWZLITFPKRHCIF-LKUDQCMESA-N	0	3	370.500	4.738	3	30		FJEFHN
CCCCCCCCN1CCC2(CC1)O[C@@H](OC)Cc1sccc12	ZINC000049881593	221028968	/nfs/dbraw/zinc/02/89/68/221028968.db2.gz	CNIQMQWFUWXKBB-LJQANCHMSA-N	0	3	351.556	4.945	1	30		FJEFHN
CN1CC[C@H](N(Cc2ccccc2Cl)c2ccc(C#N)c(Cl)c2)C1	ZINC000043019667	208301465	/nfs/dbraw/zinc/30/14/65/208301465.db2.gz	KSWQEVARQFALSR-KRWDZBQOSA-N	0	3	360.288	4.576	1	30		FJEFHN
CC[C@@H]1/C(=N/OC(=O)OC)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1	ZINC000096906546	222138233	/nfs/dbraw/zinc/13/82/33/222138233.db2.gz	FFQSWSIEINCATO-MUZZXBDVSA-N	0	3	366.461	4.970	1	30		FJEFHN
CN1CCc2c1nc1ccccc1c2/N=C1\CCCN1Cc1ccccc1	ZINC000000728265	209373886	/nfs/dbraw/zinc/37/38/86/209373886.db2.gz	JFUFOHQSLUKCSH-NJNXFGOHSA-N	0	3	356.473	4.553	1	30		FJEFHN