smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)CC1	ZINC000022610191	521047866	/nfs/dbraw/zinc/04/78/66/521047866.db2.gz	ZOPRPJLGNQGSKI-CQSZACIVSA-N	-1	1	426.433	1.979	40	5		IDBBMM
O=C([N-][C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	ZINC000575421844	568863634	/nfs/dbraw/zinc/86/36/34/568863634.db2.gz	RZCKIAWLJOQXFS-QWRGUYRKSA-N	-1	1	430.697	1.336	40	5		IDBBMM
CCCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@H](C)[C@@H]32)C1=O	ZINC000102773669	557381756	/nfs/dbraw/zinc/38/17/56/557381756.db2.gz	FDFUIIOYODATOM-APVNGSAXSA-N	-1	1	430.461	1.998	40	5		IDBBMM
C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)C1	ZINC000139083094	569138447	/nfs/dbraw/zinc/13/84/47/569138447.db2.gz	GDYGJZDLBYQZKW-VXGBXAGGSA-N	-1	1	426.433	1.979	40	5		IDBBMM
C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)C1	ZINC000040388900	569500718	/nfs/dbraw/zinc/50/07/18/569500718.db2.gz	GDYGJZDLBYQZKW-RYUDHWBXSA-N	-1	1	426.433	1.979	40	5		IDBBMM
CCCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@H](C)[C@@H]32)C1=O	ZINC000102773666	557381538	/nfs/dbraw/zinc/38/15/38/557381538.db2.gz	FDFUIIOYODATOM-WWAULLPKSA-N	-1	1	430.461	1.998	40	5		IDBBMM
O=C([N-][C@H]1CS(=O)(=O)C[C@H]1NCc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	ZINC000575421843	568863626	/nfs/dbraw/zinc/86/36/26/568863626.db2.gz	RZCKIAWLJOQXFS-MNOVXSKESA-N	-1	1	430.697	1.336	40	5		IDBBMM
CCCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@@H](C)[C@@H]32)C1=O	ZINC000009233715	569294703	/nfs/dbraw/zinc/29/47/03/569294703.db2.gz	FDFUIIOYODATOM-URCVVBJGSA-N	-1	1	430.461	1.998	40	5		IDBBMM
C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)C1	ZINC000139083196	569138368	/nfs/dbraw/zinc/13/83/68/569138368.db2.gz	GDYGJZDLBYQZKW-NWDGAFQWSA-N	-1	1	426.433	1.979	40	5		IDBBMM
C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)C1	ZINC000139077847	569138313	/nfs/dbraw/zinc/13/83/13/569138313.db2.gz	DWBHPHIZJDPXTM-BXUZGUMPSA-N	-1	1	426.433	1.979	40	5		IDBBMM
C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)C1	ZINC000040388808	569500736	/nfs/dbraw/zinc/50/07/36/569500736.db2.gz	DWBHPHIZJDPXTM-FZMZJTMJSA-N	-1	1	426.433	1.979	40	5		IDBBMM
CC1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)CC1	ZINC000022610195	521048276	/nfs/dbraw/zinc/04/82/76/521048276.db2.gz	ZOPRPJLGNQGSKI-AWEZNQCLSA-N	-1	1	426.433	1.979	40	5		IDBBMM
CC1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)CC1	ZINC000022610286	521049017	/nfs/dbraw/zinc/04/90/17/521049017.db2.gz	FWKUFHBGIRCTDS-LBPRGKRZSA-N	-1	1	426.433	1.979	40	5		IDBBMM
COC(=O)C(=C([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2cc(C)c(C)cc2[nH]c1=O	ZINC000016957922	556650978	/nfs/dbraw/zinc/65/09/78/556650978.db2.gz	WEWYFGNDCXOALE-INIZCTEOSA-N	-1	1	438.396	1.913	40	5		IDBBMM
COC(=O)C(=C([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2cc(C)c(C)cc2[nH]c1=O	ZINC000017213248	563021652	/nfs/dbraw/zinc/02/16/52/563021652.db2.gz	WEWYFGNDCXOALE-MRXNPFEDSA-N	-1	1	438.396	1.913	40	5		IDBBMM
O=C([N-][C@@H]1CS(=O)(=O)C[C@H]1NCc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	ZINC000575421840	568863617	/nfs/dbraw/zinc/86/36/17/568863617.db2.gz	RZCKIAWLJOQXFS-GHMZBOCLSA-N	-1	1	430.697	1.336	40	5		IDBBMM
C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)C1	ZINC000040388807	569500770	/nfs/dbraw/zinc/50/07/70/569500770.db2.gz	DWBHPHIZJDPXTM-RISCZKNCSA-N	-1	1	426.433	1.979	40	5		IDBBMM
CC1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)CC1	ZINC000022610122	521049214	/nfs/dbraw/zinc/04/92/14/521049214.db2.gz	VNSGTNQYYFKSSB-CQSZACIVSA-N	-1	1	426.433	1.979	40	5		IDBBMM
CCCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@@H](C)[C@@H]32)C1=O	ZINC000009233716	569294654	/nfs/dbraw/zinc/29/46/54/569294654.db2.gz	FDFUIIOYODATOM-KOXIMRRESA-N	-1	1	430.461	1.998	40	5		IDBBMM
C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)C1	ZINC000040388898	569500774	/nfs/dbraw/zinc/50/07/74/569500774.db2.gz	GDYGJZDLBYQZKW-NEPJUHHUSA-N	-1	1	426.433	1.979	40	5		IDBBMM
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1	ZINC000013948402	556976098	/nfs/dbraw/zinc/97/60/98/556976098.db2.gz	LBDQVUOHRILJBM-UHFFFAOYSA-N	-1	1	435.443	1.986	40	5		IDBBMM
C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)C1	ZINC000139077946	569138294	/nfs/dbraw/zinc/13/82/94/569138294.db2.gz	DWBHPHIZJDPXTM-SMDDNHRTSA-N	-1	1	426.433	1.979	40	5		IDBBMM
O=C([N-][C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	ZINC000575421845	568863561	/nfs/dbraw/zinc/86/35/61/568863561.db2.gz	RZCKIAWLJOQXFS-WDEREUQCSA-N	-1	1	430.697	1.336	40	5		IDBBMM
CC1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)CC1	ZINC000022610126	521046995	/nfs/dbraw/zinc/04/69/95/521046995.db2.gz	VNSGTNQYYFKSSB-AWEZNQCLSA-N	-1	1	426.433	1.979	40	5		IDBBMM
CC1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)CC1	ZINC000022610284	521047677	/nfs/dbraw/zinc/04/76/77/521047677.db2.gz	FWKUFHBGIRCTDS-GFCCVEGCSA-N	-1	1	426.433	1.979	40	5		IDBBMM
O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	ZINC000020460708	527388603	/nfs/dbraw/zinc/38/86/03/527388603.db2.gz	RJGYZSMVHRUHKR-UHFFFAOYSA-N	-1	1	441.487	1.558	40	5		IDBBMM