smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(NN=C2C=C(C)C(=O)C(C(=O)[O-])=C2)cc1	ZINC000070461956	190898836	/nfs/dbraw/zinc/89/88/36/190898836.db2.gz	HEFAKSRYWYEQLQ-ISLYRVAYSA-N	-1	0	300.314	4.213	40	10		DICBRM
O=C([O-])c1cccc2c1N[C@@H](c1ccccc1F)[C@H]1CC=C[C@H]21	ZINC000004499133	181115705	/nfs/dbraw/zinc/11/57/05/181115705.db2.gz	HNGWMZYTSLWJBN-NVGCLXPQSA-N	-1	0	309.340	4.350	40	10		DICBRM
O=C([O-])CSC(=O)Nc1ccc(N=Nc2ccccc2)cc1	ZINC000005496643	181250072	/nfs/dbraw/zinc/25/00/72/181250072.db2.gz	AYVDJNSQVAPOCN-ISLYRVAYSA-N	-1	0	315.354	4.452	40	10		DICBRM
O=C([O-])[C@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@@H]2C=CC[C@@H]21	ZINC000005630627	181266076	/nfs/dbraw/zinc/26/60/76/181266076.db2.gz	QPPYVZSFUYPJIJ-WWILAJSPSA-N	-1	0	318.587	4.185	40	10		DICBRM
COc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000006275108	181324799	/nfs/dbraw/zinc/32/47/99/181324799.db2.gz	CHVYWJSVJUXERY-GJYPPUQNSA-N	-1	0	321.376	4.220	40	10		DICBRM
COc1cccc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000004140520	181078535	/nfs/dbraw/zinc/07/85/35/181078535.db2.gz	IPNOZTJAHBNSAK-DAYGRLMNSA-N	-1	0	321.376	4.220	40	10		DICBRM
COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140522	181078818	/nfs/dbraw/zinc/07/88/18/181078818.db2.gz	SIRAIUISTYRMQP-BXWFABGCSA-N	-1	0	321.376	4.220	40	10		DICBRM
Cc1ccc(/N=N/c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1	ZINC000020357403	182211015	/nfs/dbraw/zinc/21/10/15/182211015.db2.gz	UJUFTQWITLSEKM-FMQUCBEESA-N	-1	0	311.341	4.214	40	10		DICBRM
COc1cccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409160622	257221582	/nfs/dbraw/zinc/22/15/82/257221582.db2.gz	VADHUCMUCUAHJT-VFVRVIDISA-N	-1	0	321.376	4.220	40	10		DICBRM
COc1cccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409160621	257221878	/nfs/dbraw/zinc/22/18/78/257221878.db2.gz	VADHUCMUCUAHJT-VBHSOAQHSA-N	-1	0	321.376	4.220	40	10		DICBRM
CN(Cc1ccc(Cl)cc1)/N=N/c1ccc(C(=O)[O-])cc1	ZINC000001559457	180873376	/nfs/dbraw/zinc/87/33/76/180873376.db2.gz	XUNAJGRWRKIEPV-ISLYRVAYSA-N	-1	0	303.749	4.169	40	10		DICBRM
O=C([O-])c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	ZINC000004333649	181099565	/nfs/dbraw/zinc/09/95/65/181099565.db2.gz	DQMLXAJMYIWCKH-ZQIUZPCESA-N	-1	0	309.340	4.350	40	10		DICBRM
COc1ccccc1[C@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@H]21	ZINC000000094350	563606937	/nfs/dbraw/zinc/60/69/37/563606937.db2.gz	MPBOJZCDSRXYFC-KSMMKXTCSA-N	-1	0	321.376	4.220	40	10		DICBRM
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000001461969	563634034	/nfs/dbraw/zinc/63/40/34/563634034.db2.gz	SIRAIUISTYRMQP-GPMSIDNRSA-N	-1	0	321.376	4.220	40	10		DICBRM
COc1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000000094434	180690545	/nfs/dbraw/zinc/69/05/45/180690545.db2.gz	IPNOZTJAHBNSAK-HDMKZQKVSA-N	-1	0	321.376	4.220	40	10		DICBRM
COc1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000001461953	180868518	/nfs/dbraw/zinc/86/85/18/180868518.db2.gz	IPNOZTJAHBNSAK-RVKKMQEKSA-N	-1	0	321.376	4.220	40	10		DICBRM
COc1cccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@H]32)c1	ZINC000013389161	181847826	/nfs/dbraw/zinc/84/78/26/181847826.db2.gz	JRAQFPDPZOUMRM-MDZRGWNJSA-N	-1	0	321.376	4.220	40	10		DICBRM
O=C([O-])c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	ZINC000101123359	193808605	/nfs/dbraw/zinc/80/86/05/193808605.db2.gz	DQMLXAJMYIWCKH-KEYYUXOJSA-N	-1	0	309.340	4.350	40	10		DICBRM
O=C([O-])C1=CC(=NNc2ccc(Br)cc2)C=CC1=O	ZINC000038811394	183010012	/nfs/dbraw/zinc/01/00/12/183010012.db2.gz	GNACUIMUGYAZMR-FOCLMDBBSA-N	-1	0	321.130	4.268	40	10		DICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@@H]21	ZINC000409174610	257221203	/nfs/dbraw/zinc/22/12/03/257221203.db2.gz	VQMLKXLUYYZUGT-BWACUDIHSA-N	-1	0	309.340	4.350	40	10		DICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@@H]21	ZINC000409156635	257221961	/nfs/dbraw/zinc/22/19/61/257221961.db2.gz	LHPPALLBXHLORC-FHSNZYRGSA-N	-1	0	309.340	4.350	40	10		DICBRM
Nc1nc(-c2ccccc2)c(/N=N\c2ccccc2C(=O)[O-])s1	ZINC000104108830	563960579	/nfs/dbraw/zinc/96/05/79/563960579.db2.gz	GOPCMSKLJOMTAR-VXPUYCOJSA-N	-1	0	324.365	4.506	40	10		DICBRM
COc1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000013389523	181847971	/nfs/dbraw/zinc/84/79/71/181847971.db2.gz	IPNOZTJAHBNSAK-IIDMSEBBSA-N	-1	0	321.376	4.220	40	10		DICBRM
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000409154672	257222047	/nfs/dbraw/zinc/22/20/47/257222047.db2.gz	HFZXILJZBOWVAM-LPMFXHHGSA-N	-1	0	321.376	4.220	40	10		DICBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2	ZINC000004004282	181061575	/nfs/dbraw/zinc/06/15/75/181061575.db2.gz	SLSSOGBNYLVCRS-RLFYNMQTSA-N	-1	0	309.340	4.350	40	10		DICBRM
COC(=O)c1sc2c(cnc3c2cccc3C(C)C)c1[O-]	ZINC000062719791	184250402	/nfs/dbraw/zinc/25/04/02/184250402.db2.gz	JCJOKTJPDKVXOO-UHFFFAOYSA-N	-1	0	301.367	4.065	40	10		DICBRM
O=[N+]([O-])c1ccc([O-])c(CNc2ccc(Cl)cc2Cl)c1	ZINC000255189522	568417087	/nfs/dbraw/zinc/41/70/87/568417087.db2.gz	QJBCGHFGRSKIAS-UHFFFAOYSA-N	-1	0	313.140	4.219	40	10		DICBRM
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140523	181078791	/nfs/dbraw/zinc/07/87/91/181078791.db2.gz	SIRAIUISTYRMQP-MDZRGWNJSA-N	-1	0	321.376	4.220	40	10		DICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(F)cccc2[C@H]2C=CC[C@@H]21	ZINC000409174611	257221089	/nfs/dbraw/zinc/22/10/89/257221089.db2.gz	VQMLKXLUYYZUGT-NVGCLXPQSA-N	-1	0	309.340	4.350	40	10		DICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@H]21	ZINC000409174612	257221194	/nfs/dbraw/zinc/22/11/94/257221194.db2.gz	VQMLKXLUYYZUGT-PSTGCABASA-N	-1	0	309.340	4.350	40	10		DICBRM
O=C([O-])C1=CC(=NNc2ccccc2)C=C(Br)C1=O	ZINC000045951649	563465460	/nfs/dbraw/zinc/46/54/60/563465460.db2.gz	YYZNUMOYYXBKRS-FOCLMDBBSA-N	-1	0	321.130	4.268	40	10		DICBRM
O=C([O-])CSC(=O)Nc1ccc(N=Nc2ccccc2)cc1	ZINC000104229359	563563470	/nfs/dbraw/zinc/56/34/70/563563470.db2.gz	AYVDJNSQVAPOCN-ZCXUNETKSA-N	-1	0	315.354	4.452	40	10		DICBRM
CCOc1ccccc1NN=C1C=C(C)C(=O)C(C(=O)[O-])=C1	ZINC000070461950	563813003	/nfs/dbraw/zinc/81/30/03/563813003.db2.gz	XIOHCZZQOMXQGF-ISLYRVAYSA-N	-1	0	300.314	4.213	40	10		DICBRM
COc1cccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)c1	ZINC000004151333	181079003	/nfs/dbraw/zinc/07/90/03/181079003.db2.gz	JRAQFPDPZOUMRM-BXWFABGCSA-N	-1	0	321.376	4.220	40	10		DICBRM
O=C([O-])c1cccc2c1N[C@@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	ZINC000004499128	181115746	/nfs/dbraw/zinc/11/57/46/181115746.db2.gz	HNGWMZYTSLWJBN-XWCIJXRUSA-N	-1	0	309.340	4.350	40	10		DICBRM
O=C([O-])c1ccc(CNc2ccc(Nc3ccccc3)cc2)o1	ZINC000008702220	181575071	/nfs/dbraw/zinc/57/50/71/181575071.db2.gz	NGNORDSWCTUWMA-UHFFFAOYSA-N	-1	0	308.337	4.334	40	10		DICBRM
Cc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccccc1	ZINC000408944830	257225255	/nfs/dbraw/zinc/22/52/55/257225255.db2.gz	JRXQJWVIHKJGET-UHFFFAOYSA-N	-1	0	305.377	4.470	40	10		DICBRM
COc1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)c1	ZINC000408949568	257225378	/nfs/dbraw/zinc/22/53/78/257225378.db2.gz	RGSMGCRNRFQLTI-UHFFFAOYSA-N	-1	0	321.376	4.170	40	10		DICBRM
O=C([O-])C1=CC(=NNc2ccccc2Br)C=CC1=O	ZINC000070461935	563812742	/nfs/dbraw/zinc/81/27/42/563812742.db2.gz	QIKDVOZQCBCMEC-FOCLMDBBSA-N	-1	0	321.130	4.268	40	10		DICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@H]21	ZINC000409156636	257222063	/nfs/dbraw/zinc/22/20/63/257222063.db2.gz	LHPPALLBXHLORC-SNUQEOBHSA-N	-1	0	309.340	4.350	40	10		DICBRM
COc1cccc([C@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)c1	ZINC000004151330	563636647	/nfs/dbraw/zinc/63/66/47/563636647.db2.gz	JRAQFPDPZOUMRM-FRQCXROJSA-N	-1	0	321.376	4.220	40	10		DICBRM
COc1cccc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000002578388	1041146979	/nfs/dbraw/zinc/14/69/79/1041146979.db2.gz	IPNOZTJAHBNSAK-MPGHIAIKSA-N	-1	0	321.376	4.220	40	10		DICBRM
COc1cccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)c1	ZINC000004151331	181079036	/nfs/dbraw/zinc/07/90/36/181079036.db2.gz	JRAQFPDPZOUMRM-FCEWJHQRSA-N	-1	0	321.376	4.220	40	10		DICBRM
COC(=O)c1sc(Sc2ccccc2)c(Cl)c1[O-]	ZINC000096510989	193674401	/nfs/dbraw/zinc/67/44/01/193674401.db2.gz	KDGXGIXSGLMKKA-UHFFFAOYSA-N	-1	0	300.788	4.045	40	10		DICBRM
Cc1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)c1	ZINC000408947093	257225099	/nfs/dbraw/zinc/22/50/99/257225099.db2.gz	NRCNNUIFQMOAOC-UHFFFAOYSA-N	-1	0	305.377	4.470	40	10		DICBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2	ZINC000000802455	563920556	/nfs/dbraw/zinc/92/05/56/563920556.db2.gz	SLSSOGBNYLVCRS-DAYGRLMNSA-N	-1	0	309.340	4.350	40	10		DICBRM
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000409154678	257222028	/nfs/dbraw/zinc/22/20/28/257222028.db2.gz	HFZXILJZBOWVAM-TYILLQQXSA-N	-1	0	321.376	4.220	40	10		DICBRM
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000000094440	563628683	/nfs/dbraw/zinc/62/86/83/563628683.db2.gz	SIRAIUISTYRMQP-JTDSTZFVSA-N	-1	0	321.376	4.220	40	10		DICBRM
COc1cccc([C@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)c1	ZINC000001461845	563633878	/nfs/dbraw/zinc/63/38/78/563633878.db2.gz	JRAQFPDPZOUMRM-TXPKVOOTSA-N	-1	0	321.376	4.220	40	10		DICBRM
COc1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004140518	181078608	/nfs/dbraw/zinc/07/86/08/181078608.db2.gz	IPNOZTJAHBNSAK-RLFYNMQTSA-N	-1	0	321.376	4.220	40	10		DICBRM
COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140524	181078768	/nfs/dbraw/zinc/07/87/68/181078768.db2.gz	SIRAIUISTYRMQP-FCEWJHQRSA-N	-1	0	321.376	4.220	40	10		DICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(F)cccc2[C@H]2C=CC[C@H]21	ZINC000409174613	257221028	/nfs/dbraw/zinc/22/10/28/257221028.db2.gz	VQMLKXLUYYZUGT-XWCIJXRUSA-N	-1	0	309.340	4.350	40	10		DICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@@H]21	ZINC000409156638	257221584	/nfs/dbraw/zinc/22/15/84/257221584.db2.gz	LHPPALLBXHLORC-ZJNRKIDTSA-N	-1	0	309.340	4.350	40	10		DICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@H]21	ZINC000409156637	257221697	/nfs/dbraw/zinc/22/16/97/257221697.db2.gz	LHPPALLBXHLORC-VEVIJQCQSA-N	-1	0	309.340	4.350	40	10		DICBRM
COC(=O)c1sc(SCc2ccccc2)c(Cl)c1[O-]	ZINC000096510990	563486187	/nfs/dbraw/zinc/48/61/87/563486187.db2.gz	XUCRVCFMGWWOBJ-UHFFFAOYSA-N	-1	0	314.815	4.186	40	10		DICBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2	ZINC000004004283	181061320	/nfs/dbraw/zinc/06/13/20/181061320.db2.gz	SLSSOGBNYLVCRS-MPGHIAIKSA-N	-1	0	309.340	4.350	40	10		DICBRM
O=C([O-])c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	ZINC000004333654	181099249	/nfs/dbraw/zinc/09/92/49/181099249.db2.gz	DQMLXAJMYIWCKH-VBQJREDUSA-N	-1	0	309.340	4.350	40	10		DICBRM
COc1cccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1	ZINC000004501457	181115858	/nfs/dbraw/zinc/11/58/58/181115858.db2.gz	JRAQFPDPZOUMRM-GJYPPUQNSA-N	-1	0	321.376	4.220	40	10		DICBRM
COc1ccccc1[C@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@@H]21	ZINC000001461847	563620852	/nfs/dbraw/zinc/62/08/52/563620852.db2.gz	MPBOJZCDSRXYFC-NJSLBKSFSA-N	-1	0	321.376	4.220	40	10		DICBRM