smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2noc(CNC(=O)[C@H]3COc4ccccc4O3)n2)cc1 ZINC000218300877 523290611 /nfs/dbraw/zinc/29/06/11/523290611.db2.gz VLNSCOFNWNXWFC-MRXNPFEDSA-N 0 0 367.361 2.201 40 70 FEIBRN O=C(CCc1ccc2c(c1)CCO2)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217961952 206367472 /nfs/dbraw/zinc/36/74/72/206367472.db2.gz VCVGIFDHHANSJL-FUHWJXTLSA-N 0 0 364.445 2.362 40 70 FEIBRN Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCN(C)c1ccccc1 ZINC000218578437 525871494 /nfs/dbraw/zinc/87/14/94/525871494.db2.gz WTAGAVQQGYKLSP-UHFFFAOYSA-N 0 0 361.467 2.233 40 70 FEIBRN COC[C@@H](C)NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000216891358 536547680 /nfs/dbraw/zinc/54/76/80/536547680.db2.gz LBYFQLOUPVRJIZ-GFCCVEGCSA-N 0 0 360.435 2.257 40 70 FEIBRN Cc1cc(=O)[nH]c2ccc(S(=O)(=O)CC(=O)Nc3ccccc3F)cc12 ZINC000217433969 206362024 /nfs/dbraw/zinc/36/20/24/206362024.db2.gz VOPVGRWEZMHPDG-UHFFFAOYSA-N 0 0 374.393 2.388 40 70 FEIBRN Cc1cc(=O)[nH]c2ccc(S(=O)(=O)CC(=O)Nc3ccccc3)cc12 ZINC000217429522 206363234 /nfs/dbraw/zinc/36/32/34/206363234.db2.gz BEHQBUWNHJGSDK-UHFFFAOYSA-N 0 0 356.403 2.249 40 70 FEIBRN COc1ccc(-c2noc(CNC(=O)COc3ccccc3)n2)c(OC)c1 ZINC000217824353 523290859 /nfs/dbraw/zinc/29/08/59/523290859.db2.gz YYDPSISKPKVPEY-UHFFFAOYSA-N 0 0 369.377 2.449 40 70 FEIBRN Cc1ncc(-c2nnc(C3CCN(C(=O)c4cccnc4)CC3)o2)cn1 ZINC000216638111 206359983 /nfs/dbraw/zinc/35/99/83/206359983.db2.gz YHVXLZYXQRKCRD-UHFFFAOYSA-N 0 0 350.382 2.250 40 70 FEIBRN NC(=S)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218163226 206368533 /nfs/dbraw/zinc/36/85/33/206368533.db2.gz CMQALRVVRMGTGA-XHSDSOJGSA-N 0 0 361.444 2.257 40 70 FEIBRN COC(=O)c1ccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)cc1 ZINC000216780802 548679203 /nfs/dbraw/zinc/67/92/03/548679203.db2.gz OGNYOUHYEFCPHH-SFHVURJKSA-N 0 0 368.393 2.237 40 70 FEIBRN Cc1ncncc1-c1nnc([C@@H]2CCCN(C(=O)c3cccnc3)C2)o1 ZINC000216661530 548678726 /nfs/dbraw/zinc/67/87/26/548678726.db2.gz YEWOUCYMRYMHAN-CQSZACIVSA-N 0 0 350.382 2.250 40 70 FEIBRN COC(=O)c1ccccc1Nc1cc(N2CCN(C)CC2)nc(SC)n1 ZINC000216852414 522287259 /nfs/dbraw/zinc/28/72/59/522287259.db2.gz CTDHHVRMHOXCJD-UHFFFAOYSA-N 0 0 373.482 2.481 40 70 FEIBRN COc1ccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000218566737 523937809 /nfs/dbraw/zinc/93/78/09/523937809.db2.gz BGUOBEOGPKYBPF-UHFFFAOYSA-N 0 0 362.451 2.429 40 70 FEIBRN CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3cccc(OC)c3)o2)C1 ZINC000216652648 548678579 /nfs/dbraw/zinc/67/85/79/548678579.db2.gz DRNOPIPLHYRCRP-ZDUSSCGKSA-N 0 0 351.428 2.274 40 70 FEIBRN O=C(NC[C@@H]1C[C@H]2C=C[C@@H]1C2)c1ccc(NC(=O)N2CCOCC2)cc1 ZINC000217956787 526560441 /nfs/dbraw/zinc/56/04/41/526560441.db2.gz UMDQKMSWEDOFHB-UAGQMJEPSA-N 0 0 355.438 2.493 40 70 FEIBRN COc1ccccc1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000218401488 524402326 /nfs/dbraw/zinc/40/23/26/524402326.db2.gz YXECEFRHPMCWCZ-UHFFFAOYSA-N 0 0 362.451 2.429 40 70 FEIBRN CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3cccc(OC)c3)o2)C1 ZINC000216652597 548678708 /nfs/dbraw/zinc/67/87/08/548678708.db2.gz DRNOPIPLHYRCRP-CYBMUJFWSA-N 0 0 351.428 2.274 40 70 FEIBRN COC(=O)c1sccc1Nc1c(=O)c(=O)c1NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000218191515 522450191 /nfs/dbraw/zinc/45/01/91/522450191.db2.gz IECXFVPZDPUZRT-OUAUKWLOSA-N 0 0 358.419 2.498 40 70 FEIBRN COCCN1C(=O)CS[C@@H]1c1cn(Cc2ccccc2Cl)nn1 ZINC000216687051 523797289 /nfs/dbraw/zinc/79/72/89/523797289.db2.gz SVIGIDJMRHDVRC-OAHLLOKOSA-N 0 0 352.847 2.200 40 70 FEIBRN CN1C(=O)CS[C@H]1c1cn(Cc2cccc(Br)c2)nn1 ZINC000216752639 548678556 /nfs/dbraw/zinc/67/85/56/548678556.db2.gz CAJAEVMOMJQPFH-ZDUSSCGKSA-N 0 0 353.245 2.293 40 70 FEIBRN CC(C)CCc1cc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)[nH]n1 ZINC000217805601 548683339 /nfs/dbraw/zinc/68/33/39/548683339.db2.gz HIZPKVGAXSWZRF-LSDHHAIUSA-N 0 0 354.454 2.420 40 70 FEIBRN Cn1nc(C(C)(C)C)cc1C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217928519 548684025 /nfs/dbraw/zinc/68/40/25/548684025.db2.gz DBIZREKHLBMWLM-UONOGXRCSA-N 0 0 354.454 2.139 40 70 FEIBRN COc1ccc(OCC(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000217842426 524933782 /nfs/dbraw/zinc/93/37/82/524933782.db2.gz YEJGXMZERLRZFO-UHFFFAOYSA-N 0 0 369.377 2.449 40 70 FEIBRN COc1cccc(-c2noc(CNC(=O)[C@@H]3COc4ccccc4O3)n2)c1 ZINC000218300727 525737298 /nfs/dbraw/zinc/73/72/98/525737298.db2.gz WNIALYHZOYYLBR-INIZCTEOSA-N 0 0 367.361 2.201 40 70 FEIBRN CCS(=O)(=O)N1CCC(c2nnc(-c3ccccc3OC)o2)CC1 ZINC000216633575 548678734 /nfs/dbraw/zinc/67/87/34/548678734.db2.gz FSEFWDNKQYZWJX-UHFFFAOYSA-N 0 0 351.428 2.274 40 70 FEIBRN COCCN1C(=O)CS[C@@H]1c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000216687267 523796186 /nfs/dbraw/zinc/79/61/86/523796186.db2.gz OGUQOQOGRYEXGE-OAHLLOKOSA-N 0 0 352.847 2.200 40 70 FEIBRN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000218247888 525225559 /nfs/dbraw/zinc/22/55/59/525225559.db2.gz DCJWHXBTSCYQSX-QLFBSQMISA-N 0 0 373.478 2.341 40 70 FEIBRN COCCCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000216890730 536586707 /nfs/dbraw/zinc/58/67/07/536586707.db2.gz WGRJZJFFUMDBAP-UHFFFAOYSA-N 0 0 360.435 2.258 40 70 FEIBRN Cc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000218595338 222683531 /nfs/dbraw/zinc/68/35/31/222683531.db2.gz HWFTZQBHDKAUGM-UHFFFAOYSA-N 0 0 362.451 2.484 40 70 FEIBRN CCS(=O)(=O)N1CCC(c2nnc(-c3cccc(OC)c3)o2)CC1 ZINC000216634615 548678457 /nfs/dbraw/zinc/67/84/57/548678457.db2.gz FDDWVKVXZHOADQ-UHFFFAOYSA-N 0 0 351.428 2.274 40 70 FEIBRN CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccc(OC)cc3)o2)C1 ZINC000216654924 222666994 /nfs/dbraw/zinc/66/69/94/222666994.db2.gz BPKFJAVBCNUEFP-CYBMUJFWSA-N 0 0 351.428 2.274 40 70 FEIBRN CS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 ZINC000218404140 525217910 /nfs/dbraw/zinc/21/79/10/525217910.db2.gz MUXXVPVMLKQIEN-UHFFFAOYSA-N 0 0 372.406 2.038 40 70 FEIBRN CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccccc3OC)o2)C1 ZINC000216650366 548678785 /nfs/dbraw/zinc/67/87/85/548678785.db2.gz CRGAJYAGHRCAMU-GFCCVEGCSA-N 0 0 351.428 2.274 40 70 FEIBRN Cc1ncc(-c2nnc([C@H]3CCCN(C(=O)c4cccnc4)C3)o2)cn1 ZINC000216658912 548678938 /nfs/dbraw/zinc/67/89/38/548678938.db2.gz CUHYCRHFTKSUQH-AWEZNQCLSA-N 0 0 350.382 2.250 40 70 FEIBRN CS(=O)(=O)Nc1cccc(C(=O)NCc2nc(-c3ccccc3)no2)c1 ZINC000218569203 525224534 /nfs/dbraw/zinc/22/45/34/525224534.db2.gz MSHBWJNARCUBRP-UHFFFAOYSA-N 0 0 372.406 2.038 40 70 FEIBRN NC(=S)[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218163309 222678406 /nfs/dbraw/zinc/67/84/06/222678406.db2.gz CMQALRVVRMGTGA-JYJNAYRXSA-N 0 0 361.444 2.257 40 70 FEIBRN COCCN1C(=O)CS[C@H]1c1cn(Cc2cccc(Cl)c2)nn1 ZINC000216687208 523796823 /nfs/dbraw/zinc/79/68/23/523796823.db2.gz ANIGZPXCAVOKMQ-HNNXBMFYSA-N 0 0 352.847 2.200 40 70 FEIBRN COCCN1C(=O)CS[C@@H]1c1cn(Cc2cccc(Cl)c2)nn1 ZINC000216687165 523796902 /nfs/dbraw/zinc/79/69/02/523796902.db2.gz ANIGZPXCAVOKMQ-OAHLLOKOSA-N 0 0 352.847 2.200 40 70 FEIBRN COC(=O)c1ccc(Cn2cc([C@H]3OCCN3Cc3ccco3)nn2)cc1 ZINC000216780849 548678698 /nfs/dbraw/zinc/67/86/98/548678698.db2.gz OGNYOUHYEFCPHH-GOSISDBHSA-N 0 0 368.393 2.237 40 70 FEIBRN NC(=S)[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218163433 548684681 /nfs/dbraw/zinc/68/46/81/548684681.db2.gz CMQALRVVRMGTGA-PMPSAXMXSA-N 0 0 361.444 2.257 40 70 FEIBRN CCOc1ccc(CC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1 ZINC000217702382 548684225 /nfs/dbraw/zinc/68/42/25/548684225.db2.gz LKVKYXUMLSMHQB-DLBZAZTESA-N 0 0 352.434 2.435 40 70 FEIBRN Cc1cc(C(=O)NCCN(C)c2ccccc2)ccc1NS(C)(=O)=O ZINC000218595755 222683799 /nfs/dbraw/zinc/68/37/99/222683799.db2.gz LCEHHAGBVLVALT-UHFFFAOYSA-N 0 0 361.467 2.233 40 70 FEIBRN Cc1ncncc1-c1nnc(C2CCN(C(=O)c3cccnc3)CC2)o1 ZINC000216639455 548678759 /nfs/dbraw/zinc/67/87/59/548678759.db2.gz IXLPYPARPASDOZ-UHFFFAOYSA-N 0 0 350.382 2.250 40 70 FEIBRN COC(=O)c1cccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)c1 ZINC000216780689 548678947 /nfs/dbraw/zinc/67/89/47/548678947.db2.gz KFIVYQCPYJIQSI-SFHVURJKSA-N 0 0 368.393 2.237 40 70 FEIBRN CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)nc(C)n3C)c1 ZINC000160309862 206227236 /nfs/dbraw/zinc/22/72/36/206227236.db2.gz MDWOYWXZFKSRCS-UHFFFAOYSA-N 0 0 372.450 2.351 40 70 FEIBRN CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccc(OC)cc3)o2)C1 ZINC000216654973 206359358 /nfs/dbraw/zinc/35/93/58/206359358.db2.gz BPKFJAVBCNUEFP-ZDUSSCGKSA-N 0 0 351.428 2.274 40 70 FEIBRN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000218247834 525227271 /nfs/dbraw/zinc/22/72/71/525227271.db2.gz DCJWHXBTSCYQSX-ILXRZTDVSA-N 0 0 373.478 2.341 40 70 FEIBRN CNS(=O)(=O)c1cccc(C(=O)NCCOc2ccccc2Cl)c1 ZINC000159380002 206224224 /nfs/dbraw/zinc/22/42/24/206224224.db2.gz PNPRPAWGJBRFKU-UHFFFAOYSA-N 0 0 368.842 2.057 40 70 FEIBRN CCS(=O)(=O)Nc1ccc(C(=O)NCCN(C)c2ccccc2)cc1 ZINC000218639958 206372137 /nfs/dbraw/zinc/37/21/37/206372137.db2.gz SBXIALACPMKEAA-UHFFFAOYSA-N 0 0 361.467 2.314 40 70 FEIBRN COC[C@H](C)NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000216891400 132271512 /nfs/dbraw/zinc/27/15/12/132271512.db2.gz LBYFQLOUPVRJIZ-LBPRGKRZSA-N 0 0 360.435 2.257 40 70 FEIBRN COc1cccc(-c2noc(CNC(=O)[C@H]3COc4ccccc4O3)n2)c1 ZINC000218300780 525737255 /nfs/dbraw/zinc/73/72/55/525737255.db2.gz WNIALYHZOYYLBR-MRXNPFEDSA-N 0 0 367.361 2.201 40 70 FEIBRN COC(=O)c1sccc1Nc1c(=O)c(=O)c1NC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000218191443 522449645 /nfs/dbraw/zinc/44/96/45/522449645.db2.gz IECXFVPZDPUZRT-VWYCJHECSA-N 0 0 358.419 2.498 40 70 FEIBRN COC(=O)c1ccc(Nc2cc(N3CCN(C)CC3)nc(SC)n2)cc1 ZINC000216852457 522137003 /nfs/dbraw/zinc/13/70/03/522137003.db2.gz OVPDCASLCFTYHT-UHFFFAOYSA-N 0 0 373.482 2.481 40 70 FEIBRN COCCN1C(=O)CS[C@H]1c1cn(Cc2ccccc2Cl)nn1 ZINC000216687098 523796681 /nfs/dbraw/zinc/79/66/81/523796681.db2.gz SVIGIDJMRHDVRC-HNNXBMFYSA-N 0 0 352.847 2.200 40 70 FEIBRN CC(C)(C)C(=O)[C@@H]1[C@H]2[C@@H](C(=O)[C@@H]3OC[C@H]2O3)[C@H]2C=Cc3ccccc3N21 ZINC000217380365 568180719 /nfs/dbraw/zinc/18/07/19/568180719.db2.gz BHNLYGBJMNKDTM-DRVJKLOYSA-N 0 0 353.418 2.442 40 70 FEIBRN COc1ccc(C(=O)CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1OC ZINC000217566523 548682261 /nfs/dbraw/zinc/68/22/61/548682261.db2.gz PLQNCHDDFUVREM-GOEBONIOSA-N 0 0 368.433 2.168 40 70 FEIBRN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000160090506 571127876 /nfs/dbraw/zinc/12/78/76/571127876.db2.gz HMZFRBGIZVPTAL-UHFFFAOYSA-N 0 0 364.427 2.066 40 70 FEIBRN COC(=O)c1cc(S(=O)(=O)NCCc2ccc(F)cc2)ccc1C ZINC000217401419 209656986 /nfs/dbraw/zinc/65/69/86/209656986.db2.gz RSDQNOPEKLOIHU-UHFFFAOYSA-N 0 0 351.399 2.442 40 70 FEIBRN CCOC(=O)c1ccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)cc1 ZINC000216850213 521523272 /nfs/dbraw/zinc/52/32/72/521523272.db2.gz OCOUGFQPOXCDQA-UHFFFAOYSA-N 0 0 355.442 2.457 40 70 FEIBRN Cc1ccc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000218334054 525422864 /nfs/dbraw/zinc/42/28/64/525422864.db2.gz XVFNSKVOWFKSFA-UHFFFAOYSA-N 0 0 362.451 2.200 40 70 FEIBRN COc1ccccc1CCCNC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000218566549 524402559 /nfs/dbraw/zinc/40/25/59/524402559.db2.gz VIHHIZZHEJRKGY-UHFFFAOYSA-N 0 0 362.451 2.429 40 70 FEIBRN CC(C)Cc1cc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)n(C)n1 ZINC000217733505 548684173 /nfs/dbraw/zinc/68/41/73/548684173.db2.gz YDVJBYQFZHSTRH-LSDHHAIUSA-N 0 0 354.454 2.040 40 70 FEIBRN Cc1ccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 ZINC000218578045 525423137 /nfs/dbraw/zinc/42/31/37/525423137.db2.gz KNMMUUBPKHURHH-UHFFFAOYSA-N 0 0 362.451 2.484 40 70 FEIBRN CC(=O)Nc1ccc(C(=O)CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1 ZINC000217564225 548682223 /nfs/dbraw/zinc/68/22/23/548682223.db2.gz IADAVUHJHCCODZ-DOTOQJQBSA-N 0 0 365.433 2.109 40 70 FEIBRN O=C(c1cc(-c2ccccc2)n[nH]1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217959636 222676168 /nfs/dbraw/zinc/67/61/68/222676168.db2.gz YGCYSSYTXXZIQW-GOEBONIOSA-N 0 0 360.417 2.498 40 70 FEIBRN CN1C(=O)CS[C@@H]1c1cn(Cc2cccc(Br)c2)nn1 ZINC000216752588 222667857 /nfs/dbraw/zinc/66/78/57/222667857.db2.gz CAJAEVMOMJQPFH-CYBMUJFWSA-N 0 0 353.245 2.293 40 70 FEIBRN COC(=O)c1cccc(Cn2cc([C@H]3OCCN3Cc3ccco3)nn2)c1 ZINC000216780733 263457883 /nfs/dbraw/zinc/45/78/83/263457883.db2.gz KFIVYQCPYJIQSI-GOSISDBHSA-N 0 0 368.393 2.237 40 70 FEIBRN COc1cc(C(=O)n2cc(C(N)=O)c3ccccc32)cc(OC)c1OC ZINC000216958954 548678942 /nfs/dbraw/zinc/67/89/42/548678942.db2.gz GSHKCCGJCVGNOJ-UHFFFAOYSA-N 0 0 354.362 2.455 40 70 FEIBRN NC(=S)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218163379 548685378 /nfs/dbraw/zinc/68/53/78/548685378.db2.gz CMQALRVVRMGTGA-OAGGEKHMSA-N 0 0 361.444 2.257 40 70 FEIBRN COCCN1C(=O)CS[C@H]1c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000216687313 523797309 /nfs/dbraw/zinc/79/73/09/523797309.db2.gz OGUQOQOGRYEXGE-HNNXBMFYSA-N 0 0 352.847 2.200 40 70 FEIBRN COc1ccc(-c2noc(CNC(=O)[C@@H]3COc4ccccc4O3)n2)cc1 ZINC000218300846 523290887 /nfs/dbraw/zinc/29/08/87/523290887.db2.gz VLNSCOFNWNXWFC-INIZCTEOSA-N 0 0 367.361 2.201 40 70 FEIBRN COc1ccccc1OCC(=O)NCc1ccc(OC)c(OC)c1OC ZINC000217945157 524662060 /nfs/dbraw/zinc/66/20/60/524662060.db2.gz FEVZRNOXVQFTJI-UHFFFAOYSA-N 0 0 361.394 2.416 40 70 FEIBRN Cc1ncc(-c2nnc([C@@H]3CCCN(C(=O)c4cccnc4)C3)o2)cn1 ZINC000216658865 548678439 /nfs/dbraw/zinc/67/84/39/548678439.db2.gz CUHYCRHFTKSUQH-CQSZACIVSA-N 0 0 350.382 2.250 40 70 FEIBRN CCc1nnc(CN(C)S(=O)(=O)c2ccc(Br)s2)o1 ZINC000160726014 326974996 /nfs/dbraw/zinc/97/49/96/326974996.db2.gz RVRUXPZFQWTNIW-UHFFFAOYSA-N 0 0 366.262 2.277 40 70 FEIBRN CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccccc3OC)o2)C1 ZINC000216650411 548678450 /nfs/dbraw/zinc/67/84/50/548678450.db2.gz CRGAJYAGHRCAMU-LBPRGKRZSA-N 0 0 351.428 2.274 40 70 FEIBRN Cc1ncncc1-c1nnc([C@H]2CCCN(C(=O)c3cccnc3)C2)o1 ZINC000216661573 548678933 /nfs/dbraw/zinc/67/89/33/548678933.db2.gz YEWOUCYMRYMHAN-AWEZNQCLSA-N 0 0 350.382 2.250 40 70 FEIBRN