smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)[C@@H](CNc1cc(F)ccc1[N+](=O)[O-])c1cccc(F)c1	ZINC000302864167	336372366	/nfs/dbraw/zinc/37/23/66/336372366.db2.gz	SPWNWZBIMNVCBO-INIZCTEOSA-N	0	3	321.327	3.588	10	5		DHBEHN
CC[C@@H](NC[C@H](O)CC1CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000191061635	337293419	/nfs/dbraw/zinc/29/34/19/337293419.db2.gz	SFGANVNVIJPSFX-IAGOWNOFSA-N	0	3	306.406	3.577	10	5		DHBEHN
COc1ccc(CN[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-]	ZINC000121194362	333348972	/nfs/dbraw/zinc/34/89/72/333348972.db2.gz	IQPSNDXHWFOCTO-INIZCTEOSA-N	0	3	312.369	3.771	10	5		DHBEHN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2cc[nH]n2)CC1	ZINC000182729650	337189658	/nfs/dbraw/zinc/18/96/58/337189658.db2.gz	WMVJEFCFPQNUBZ-ZDUSSCGKSA-N	0	3	314.389	3.567	10	5		DHBEHN
CC[C@H](NC[C@H](O)CC1CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000191061622	337293346	/nfs/dbraw/zinc/29/33/46/337293346.db2.gz	SFGANVNVIJPSFX-SJORKVTESA-N	0	3	306.406	3.577	10	5		DHBEHN
CC[C@H](NC[C@@H](O)CC1CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000191061652	337293396	/nfs/dbraw/zinc/29/33/96/337293396.db2.gz	SFGANVNVIJPSFX-IRXDYDNUSA-N	0	3	306.406	3.577	10	5		DHBEHN
Cc1ccc(CN2CCC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-]	ZINC000092788629	1020112544	/nfs/dbraw/zinc/11/25/44/1020112544.db2.gz	CJPLXWUKCGZSOG-CQSZACIVSA-N	0	3	317.414	3.739	10	5		DHBEHN
CC[C@@H](NC[C@@H](O)CC1CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000191061669	337293430	/nfs/dbraw/zinc/29/34/30/337293430.db2.gz	SFGANVNVIJPSFX-DLBZAZTESA-N	0	3	306.406	3.577	10	5		DHBEHN
O=[N+]([O-])c1ccc(-c2ccc(OCCN3CCCC3)cc2)cc1	ZINC000584641814	337380079	/nfs/dbraw/zinc/38/00/79/337380079.db2.gz	ZXKFWJNVSUSCHB-UHFFFAOYSA-N	0	3	312.369	3.736	10	5		DHBEHN
Cc1csc([C@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)n1	ZINC000156978424	526443399	/nfs/dbraw/zinc/44/33/99/526443399.db2.gz	ZBMBTTAFVSLGMV-AWEZNQCLSA-N	0	3	317.414	3.739	10	5		DHBEHN
C[C@H](N[C@H](CN(C)C)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000122137399	132162109	/nfs/dbraw/zinc/16/21/09/132162109.db2.gz	IHTQFRTVIKPTGF-KBXCAEBGSA-N	0	3	313.401	3.548	10	5		DHBEHN
C[C@H](N[C@@H](CN(C)C)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000122136962	132161395	/nfs/dbraw/zinc/16/13/95/132161395.db2.gz	IHTQFRTVIKPTGF-KSSFIOAISA-N	0	3	313.401	3.548	10	5		DHBEHN
O=[N+]([O-])c1cc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)cs1	ZINC000037563007	337365388	/nfs/dbraw/zinc/36/53/88/337365388.db2.gz	QFTIARSGHMNLHD-VHSXEESVSA-N	0	3	308.325	3.867	10	5		DHBEHN
C[C@@H](N[C@H](CN(C)C)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000122137600	132161445	/nfs/dbraw/zinc/16/14/45/132161445.db2.gz	IHTQFRTVIKPTGF-RDTXWAMCSA-N	0	3	313.401	3.548	10	5		DHBEHN
C[C@H](COCc1ccccc1)N[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000173452176	340365310	/nfs/dbraw/zinc/36/53/10/340365310.db2.gz	FFSMXJFDCGCIQK-HUUCEWRRSA-N	0	3	314.385	3.851	10	5		DHBEHN
CN(C)[C@H](CNc1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000302815917	336370332	/nfs/dbraw/zinc/37/03/32/336370332.db2.gz	KZVDQNRPSHSYLJ-MRXNPFEDSA-N	0	3	321.327	3.588	10	5		DHBEHN
O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1	ZINC000035258140	337342289	/nfs/dbraw/zinc/34/22/89/337342289.db2.gz	CIXKWSPTVVOXNN-QWHCGFSZSA-N	0	3	302.296	3.806	10	5		DHBEHN
C[C@H](COCc1ccccc1)N[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000173452151	340365272	/nfs/dbraw/zinc/36/52/72/340365272.db2.gz	FFSMXJFDCGCIQK-CABCVRRESA-N	0	3	314.385	3.851	10	5		DHBEHN
C[C@@H](COCc1ccccc1)N[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000173452135	340365329	/nfs/dbraw/zinc/36/53/29/340365329.db2.gz	FFSMXJFDCGCIQK-GJZGRUSLSA-N	0	3	314.385	3.851	10	5		DHBEHN
Cc1csc([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)n1	ZINC000156960495	526442203	/nfs/dbraw/zinc/44/22/03/526442203.db2.gz	BKPUVOVPBXLXTN-AWEZNQCLSA-N	0	3	317.414	3.739	10	5		DHBEHN
CC[C@H](NCc1ccc([N+](=O)[O-])cc1Br)C(C)C	ZINC000042588737	183288662	/nfs/dbraw/zinc/28/86/62/183288662.db2.gz	OKAQQCVVMAZRFS-ZDUSSCGKSA-N	0	3	315.211	3.882	10	5		DHBEHN
CN(C)[C@@H](CNc1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000302815916	336370340	/nfs/dbraw/zinc/37/03/40/336370340.db2.gz	KZVDQNRPSHSYLJ-INIZCTEOSA-N	0	3	321.327	3.588	10	5		DHBEHN
O=[N+]([O-])c1cccc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)c1	ZINC000035258144	337342239	/nfs/dbraw/zinc/34/22/39/337342239.db2.gz	HZKSTFVIYMTERP-QWHCGFSZSA-N	0	3	302.296	3.806	10	5		DHBEHN
Cc1csc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)n1	ZINC000156963485	526421213	/nfs/dbraw/zinc/42/12/13/526421213.db2.gz	NAECQVZRZGPTPW-CQSZACIVSA-N	0	3	317.414	3.739	10	5		DHBEHN
CN(C)[C@H](CNc1cc(F)ccc1[N+](=O)[O-])c1cccs1	ZINC000302869370	336372590	/nfs/dbraw/zinc/37/25/90/336372590.db2.gz	XKZJRLUNAYYEFN-CYBMUJFWSA-N	0	3	309.366	3.510	10	5		DHBEHN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2cc[nH]n2)CC1	ZINC000182729627	337189576	/nfs/dbraw/zinc/18/95/76/337189576.db2.gz	WMVJEFCFPQNUBZ-CYBMUJFWSA-N	0	3	314.389	3.567	10	5		DHBEHN
Cc1csc([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)n1	ZINC000156960339	526421723	/nfs/dbraw/zinc/42/17/23/526421723.db2.gz	BKPUVOVPBXLXTN-CQSZACIVSA-N	0	3	317.414	3.739	10	5		DHBEHN
CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1cccs1	ZINC000049530827	332315652	/nfs/dbraw/zinc/31/56/52/332315652.db2.gz	ZJAXKYOHTLWRGP-LBPRGKRZSA-N	0	3	306.387	3.906	10	5		DHBEHN
CC(C)(C)NCC(=O)Cc1nc2ccccc2c2ccccc12	ZINC000584627805	337376238	/nfs/dbraw/zinc/37/62/38/337376238.db2.gz	FGOBTWOQEVLUJZ-UHFFFAOYSA-N	0	3	306.409	3.888	10	5		DHBEHN
C[C@@H](N[C@@H](C)COCc1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000173452164	340365291	/nfs/dbraw/zinc/36/52/91/340365291.db2.gz	FFSMXJFDCGCIQK-LSDHHAIUSA-N	0	3	314.385	3.851	10	5		DHBEHN
C[C@@H](N[C@@H](CN(C)C)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000122137180	132162055	/nfs/dbraw/zinc/16/20/55/132162055.db2.gz	IHTQFRTVIKPTGF-KDOFPFPSSA-N	0	3	313.401	3.548	10	5		DHBEHN
CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1cccs1	ZINC000049530828	332315641	/nfs/dbraw/zinc/31/56/41/332315641.db2.gz	ZJAXKYOHTLWRGP-GFCCVEGCSA-N	0	3	306.387	3.906	10	5		DHBEHN
Cc1csc([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)n1	ZINC000156963648	526442479	/nfs/dbraw/zinc/44/24/79/526442479.db2.gz	NAECQVZRZGPTPW-AWEZNQCLSA-N	0	3	317.414	3.739	10	5		DHBEHN
Cc1ccc(CN2CCC[C@H](c3nccs3)C2)cc1[N+](=O)[O-]	ZINC000092788628	1020112025	/nfs/dbraw/zinc/11/20/25/1020112025.db2.gz	CJPLXWUKCGZSOG-AWEZNQCLSA-N	0	3	317.414	3.739	10	5		DHBEHN
Cc1csc([C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)n1	ZINC000156978264	526422279	/nfs/dbraw/zinc/42/22/79/526422279.db2.gz	ZBMBTTAFVSLGMV-CQSZACIVSA-N	0	3	317.414	3.739	10	5		DHBEHN
CC[C@@H](NCc1ccc([N+](=O)[O-])cc1Br)C(C)C	ZINC000042588740	183288383	/nfs/dbraw/zinc/28/83/83/183288383.db2.gz	OKAQQCVVMAZRFS-CYBMUJFWSA-N	0	3	315.211	3.882	10	5		DHBEHN
C[C@@H](COCc1ccccc1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000178065916	340446618	/nfs/dbraw/zinc/44/66/18/340446618.db2.gz	HOKIWKDERPMVBG-GJZGRUSLSA-N	0	3	314.385	3.851	10	5		DHBEHN
C[C@H](COCc1ccccc1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000178065933	340446616	/nfs/dbraw/zinc/44/66/16/340446616.db2.gz	HOKIWKDERPMVBG-CABCVRRESA-N	0	3	314.385	3.851	10	5		DHBEHN
COc1ccc(CN[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-]	ZINC000121194220	333348954	/nfs/dbraw/zinc/34/89/54/333348954.db2.gz	IQPSNDXHWFOCTO-MRXNPFEDSA-N	0	3	312.369	3.771	10	5		DHBEHN
CN(C)[C@H](CNc1cc(F)ccc1[N+](=O)[O-])c1cccc(F)c1	ZINC000302864168	336372378	/nfs/dbraw/zinc/37/23/78/336372378.db2.gz	SPWNWZBIMNVCBO-MRXNPFEDSA-N	0	3	321.327	3.588	10	5		DHBEHN
[O-][n+]1c2ccccc2c2ccccc2c1CCN1CCCCC1	ZINC000584650429	337380841	/nfs/dbraw/zinc/38/08/41/337380841.db2.gz	KMEPPWNXQMSPOZ-UHFFFAOYSA-N	0	3	306.409	3.655	10	5		DHBEHN
CN(C)[C@@H](CNc1cc(F)ccc1[N+](=O)[O-])c1cccs1	ZINC000302869372	336372524	/nfs/dbraw/zinc/37/25/24/336372524.db2.gz	XKZJRLUNAYYEFN-ZDUSSCGKSA-N	0	3	309.366	3.510	10	5		DHBEHN