smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccccc1C=NNc1cc[nH+]c2ccc(C(F)(F)F)cc12	ZINC000045196315	205117150	/nfs/dbraw/zinc/11/71/50/205117150.db2.gz	NDSVYBZQJLDBJJ-LSHDLFTRSA-N	1	2	360.295	4.608	1	30		FJEFLO
O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1	ZINC000007900425	204310838	/nfs/dbraw/zinc/31/08/38/204310838.db2.gz	HJRDCIMPMKOJRY-XCVCLJGOSA-N	1	2	353.219	4.531	1	30		FJEFLO
O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Br	ZINC000007900464	204310896	/nfs/dbraw/zinc/31/08/96/204310896.db2.gz	VDFGTXQJTODOKT-JXMROGBWSA-N	1	2	353.219	4.531	1	30		FJEFLO
CC1(C)CC(=O)C2=C(C1)Oc1[nH+]c3c(c(N)c1[C@@H]2c1ccccc1)CCCC3	ZINC000040916131	205085258	/nfs/dbraw/zinc/08/52/58/205085258.db2.gz	JBGJUCSUIRSSHA-LJQANCHMSA-N	1	2	374.484	4.710	1	30		FJEFLO
CC(C)Cn1ccnc1/C=C1\CCC/C(=C\c2[nH+]ccn2CC(C)C)C1=O	ZINC000103250929	222329237	/nfs/dbraw/zinc/32/92/37/222329237.db2.gz	PPKSXNNEFAMANC-KLCVKJMQSA-N	1	2	366.509	4.612	1	30		FJEFLO
O=[N+]([O-])c1cccc(C=NNc2cc[nH+]c3ccc(C(F)(F)F)cc23)c1	ZINC000045228753	205118894	/nfs/dbraw/zinc/11/88/94/205118894.db2.gz	VKBZLCNFFKJUKJ-LSHDLFTRSA-N	1	2	360.295	4.608	1	30		FJEFLO
Cc1[nH+]c2ccccc2n1Cc1nnc(/N=C/c2ccc(Cl)cc2)s1	ZINC000043079964	205101611	/nfs/dbraw/zinc/10/16/11/205101611.db2.gz	LBNUVHUZPUSHTE-KEBDBYFISA-N	1	2	367.865	4.649	1	30		FJEFLO
CC1(C)CC(=O)C2=C(C1)Oc1[nH+]c3c(c(N)c1[C@H]2c1ccccc1)CCCC3	ZINC000040916129	208274183	/nfs/dbraw/zinc/27/41/83/208274183.db2.gz	JBGJUCSUIRSSHA-IBGZPJMESA-N	1	2	374.484	4.710	1	30		FJEFLO
Cc1cc(NN=Cc2cccc([N+](=O)[O-])c2)c2ccc(C(F)(F)F)cc2[nH+]1	ZINC000045195751	208328148	/nfs/dbraw/zinc/32/81/48/208328148.db2.gz	QMFPDPMHNCKNLJ-LSHDLFTRSA-N	1	2	374.322	4.916	1	30		FJEFLO
N#Cc1ccccc1N1CCN(c2[nH+]c3ccccc3c3ccccc32)CC1	ZINC000103264640	132237352	/nfs/dbraw/zinc/23/73/52/132237352.db2.gz	NFAVBFPLQZPXPB-UHFFFAOYSA-N	1	2	364.452	4.586	1	30		FJEFLO
COc1ccc(-c2sc3ccc(OC)cc3c2C#Cc2c[nH+]cn2C)cc1	ZINC000061948089	221138359	/nfs/dbraw/zinc/13/83/59/221138359.db2.gz	HSNXZGXNLACOTJ-UHFFFAOYSA-N	1	2	374.465	4.719	3	30		FJEFLO
O=C1CC[N@H+](Cc2ccccc2)CC1=C(c1ccccc1)c1ccccc1	ZINC000072115014	221406909	/nfs/dbraw/zinc/40/69/09/221406909.db2.gz	VHMXHUVPHDXQCV-UHFFFAOYSA-N	1	2	353.465	4.964	1	30		FJEFLO
O=C1CC[N@@H+](Cc2ccccc2)CC1=C(c1ccccc1)c1ccccc1	ZINC000072115014	221406914	/nfs/dbraw/zinc/40/69/14/221406914.db2.gz	VHMXHUVPHDXQCV-UHFFFAOYSA-N	1	2	353.465	4.964	1	30		FJEFLO
CCOc1ccc2[nH+]c(-c3ccccc3)cc(NN=Cc3ccncc3)c2c1	ZINC000045302521	208330363	/nfs/dbraw/zinc/33/03/63/208330363.db2.gz	WBKHRFFEDRJLQM-PCLIKHOPSA-N	1	2	368.440	4.563	1	30		FJEFLO
COc1ccc2sc(-c3ccccc3OC)c(C#Cc3c[nH+]cn3C)c2c1	ZINC000061948085	221137911	/nfs/dbraw/zinc/13/79/11/221137911.db2.gz	ASLAHLVKUVGYIQ-UHFFFAOYSA-N	1	2	374.465	4.719	3	30		FJEFLO
Clc1cccc2c1CC[C@H](Cn1cc[nH+]c1)/C2=N/OCc1ccccc1	ZINC000040916597	208274507	/nfs/dbraw/zinc/27/45/07/208274507.db2.gz	UEIXYWMZTTWIMC-PJXFJRINSA-N	1	2	365.864	4.720	1	30		FJEFLO
COc1ccccc1Cc1c(-c2ccc(C#N)cc2)[nH+]c2ccc(C)cn21	ZINC000095570686	209081063	/nfs/dbraw/zinc/08/10/63/209081063.db2.gz	LWEBJDHDNFAEMU-UHFFFAOYSA-N	1	2	353.425	4.781	3	30		FJEFLO
Cc1ccc(-c2nn(-c3cccc(Cl)c3)c(/[NH+]=C/N(C)C)c2C=O)cc1	ZINC000103169828	209247362	/nfs/dbraw/zinc/24/73/62/209247362.db2.gz	QKNZQCPLPWSOPY-LPYMAVHISA-N	1	2	366.852	4.535	1	30		FJEFLO
CN(Cc1c[nH+]cn1C)c1ccc(C#N)c(-c2cccc3ccccc32)c1	ZINC000013489055	581099845	/nfs/dbraw/zinc/09/98/45/581099845.db2.gz	IFNOMGKCZUCMJL-UHFFFAOYSA-N	1	2	352.441	4.748	1	30		FJEFLO
Clc1cccc2c1CC[C@@H](Cn1cc[nH+]c1)/C2=N/OCc1ccccc1	ZINC000040916599	208273749	/nfs/dbraw/zinc/27/37/49/208273749.db2.gz	UEIXYWMZTTWIMC-JOGXUEJDSA-N	1	2	365.864	4.720	1	30		FJEFLO
C=CCc1c(C)nc(-c2ccccc2)nc1N[NH+]=C(C)c1ccc(N)cc1	ZINC000013122914	519120519	/nfs/dbraw/zinc/12/05/19/519120519.db2.gz	DFYOWQQLNMCEBM-YSMPRRRNSA-N	1	2	357.461	4.599	1	30		FJEFLO