smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc([C@@H]2[NH2+][C@](C)(C(=O)[O-])[C@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1O ZINC000013133101 487561714 /nfs/dbraw/zinc/56/17/14/487561714.db2.gz WNPOIOPYLLSBQR-YFQWEKLQSA-N 0 0 362.382 0.898 50 10 FCCARN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000072442224 488381167 /nfs/dbraw/zinc/38/11/67/488381167.db2.gz AIAIJVSYYFOLQO-OAHLLOKOSA-N 0 0 368.503 0.887 50 10 FCCARN O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNCCN1CC[NH2+]CC1 ZINC000102511762 1245302140 /nfs/dbraw/zinc/30/21/40/1245302140.db2.gz FAUAAPWDYQHLEA-QINSGFPZSA-N 0 0 357.414 0.484 50 10 FCCARN COC(=O)c1cc(OC)c(OC)cc1NC=C1C(=O)NC(=S)NC1=O ZINC000005577828 204216161 /nfs/dbraw/zinc/21/61/61/204216161.db2.gz OCURWWIGMPNJLH-UHFFFAOYSA-N 0 0 365.367 0.317 50 10 FCCARN COc1ccc(N(C)CCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000065364198 205339664 /nfs/dbraw/zinc/33/96/64/205339664.db2.gz OYWOIVANBHNVKJ-CQSZACIVSA-N 0 0 369.487 0.919 50 10 FCCARN CCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000009570039 132379299 /nfs/dbraw/zinc/37/92/99/132379299.db2.gz TYJFTKIRIVRGMX-UHFFFAOYSA-N 0 0 355.460 0.673 50 10 FCCARN C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 ZINC000048252906 136123144 /nfs/dbraw/zinc/12/31/44/136123144.db2.gz OILXWZBLZPWKPL-ZDUSSCGKSA-N 0 0 370.409 0.651 50 10 FCCARN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C/c3ccc(O)c(O)c3)C2=N)S1 ZINC000020207830 487609688 /nfs/dbraw/zinc/60/96/88/487609688.db2.gz UQRMYJNFQROHRE-SMNSQHBTSA-N 0 0 366.380 0.719 50 10 FCCARN COc1cccc([C@H]2[NH2+][C@@](C)(C(=O)[O-])[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]32)c1O ZINC000004581128 204148469 /nfs/dbraw/zinc/14/84/69/204148469.db2.gz WNPOIOPYLLSBQR-SJBDTSRBSA-N 0 0 362.382 0.898 50 10 FCCARN Cc1c2ccc(O)c(O)c2oc(=O)c1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000008764658 204345026 /nfs/dbraw/zinc/34/50/26/204345026.db2.gz RSIHHODLQFZVEB-SECBINFHSA-N 0 0 367.379 0.358 50 10 biogenic FCCARN COc1ccc(N2CCN(C=C3C(=O)N(C)C(=O)N(C)C3=O)CC2)cc1 ZINC000006831050 487499091 /nfs/dbraw/zinc/49/90/91/487499091.db2.gz ZOSNHZPLZYWFKZ-UHFFFAOYSA-N 0 0 358.398 0.752 50 10 FCCARN COc1ccc(N2CCN(CCS(=O)(=O)CCC(N)=O)CC2)cc1 ZINC000032652335 487779714 /nfs/dbraw/zinc/77/97/14/487779714.db2.gz MKAMGRNMAIFXBB-UHFFFAOYSA-N 0 0 355.460 0.107 50 10 FCCARN CCCN1C(=O)C(=CNCC(C)(C)N2CCOCC2)C(=O)NC1=S ZINC000105490368 488509610 /nfs/dbraw/zinc/50/96/10/488509610.db2.gz WVLUYOGVWXDNMU-ZRDIBKRKSA-N 0 0 354.476 0.224 50 10 FCCARN COc1ccc(N2C(=O)C(=CNCCC[NH+](C)C)C(=O)[N-]C2=S)cc1 ZINC000002285233 536658106 /nfs/dbraw/zinc/65/81/06/536658106.db2.gz CUAHTBURLUTWOR-SDNWHVSQSA-N 0 0 362.455 0.868 50 10 FCCARN Cc1c2ccc(O)c(O)c2oc(=O)c1CC(=O)N1CCC(C(N)=O)CC1 ZINC000002122355 206153085 /nfs/dbraw/zinc/15/30/85/206153085.db2.gz ZUHWQASDLOURDW-UHFFFAOYSA-N 0 0 360.366 0.779 50 10 biogenic FCCARN COc1cccc([C@@H]2[NH2+][C@](C)(C(=O)[O-])[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]23)c1O ZINC000169302470 206249094 /nfs/dbraw/zinc/24/90/94/206249094.db2.gz WNPOIOPYLLSBQR-OXRQTFEDSA-N 0 0 362.382 0.898 50 10 FCCARN CCOC(=O)[C@@H](C(=O)c1ccn(C)n1)C1(O)C(=O)c2ccccc2C1=O ZINC000020606715 487610604 /nfs/dbraw/zinc/61/06/04/487610604.db2.gz KYHWXHBCUAKQRL-CYBMUJFWSA-N 0 0 356.334 0.592 50 10 FCCARN COc1ccc(N2CCN(Cc3nc4c([nH]3)n(C)c(=O)[nH]c4=O)CC2)cc1 ZINC000020533456 487610882 /nfs/dbraw/zinc/61/08/82/487610882.db2.gz UJUANZWUFMTQDZ-UHFFFAOYSA-N 0 0 370.413 0.281 50 10 FCCARN COc1ccc(N2CCN(Cc3cc(=O)c(OCC(N)=O)co3)CC2)cc1 ZINC000036358936 487801940 /nfs/dbraw/zinc/80/19/40/487801940.db2.gz VQVPUJNDNDFZEO-UHFFFAOYSA-N 0 0 373.409 0.835 50 10 FCCARN COCCCNS(=O)(=O)[C@H]1CON(C)[C@H]1c1ccc(N(C)C)cc1 ZINC000245328307 488463070 /nfs/dbraw/zinc/46/30/70/488463070.db2.gz MVPQZVXUQKCGDJ-HOTGVXAUSA-N 0 0 357.476 0.995 50 10 FCCARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=S)NC1=O ZINC000101042370 488494510 /nfs/dbraw/zinc/49/45/10/488494510.db2.gz HPJIZBKFIUHHME-CYBMUJFWSA-N 0 0 372.406 0.256 50 10 FCCARN Cc1no[n+]([O-])c1COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 ZINC000002930725 204068493 /nfs/dbraw/zinc/06/84/93/204068493.db2.gz MZRJXYQKXVDFLP-UHFFFAOYSA-N 0 0 360.351 0.950 50 10 FCCARN Cc1no[n+]([O-])c1COc1ccccc1C=C1C(=O)NC(=S)NC1=O ZINC000002939754 204068554 /nfs/dbraw/zinc/06/85/54/204068554.db2.gz WKOLCONPTAKZDY-UHFFFAOYSA-N 0 0 360.351 0.950 50 10 FCCARN COC(=O)c1c(C)c(C(C)=O)sc1NC=C1C(=O)NC(=S)NC1=O ZINC000040476914 205071633 /nfs/dbraw/zinc/07/16/33/205071633.db2.gz OLYHDVRXJRUWSS-UHFFFAOYSA-N 0 0 367.408 0.872 50 10 FCCARN COc1cc(/C=C2/SC(N3CCN(CCO)CC3)=NC2=O)ccc1O ZINC000013608800 206304145 /nfs/dbraw/zinc/30/41/45/206304145.db2.gz DZWOUCAOXZWQNA-RVDMUPIBSA-N 0 0 363.439 0.981 50 10 FCCARN C[NH+]1CCN(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000020325038 487609479 /nfs/dbraw/zinc/60/94/79/487609479.db2.gz VUYDUYXYBXOXPP-JLHYYAGUSA-N 0 0 363.805 0.763 50 10 FCCARN CCOC(=O)[C@@H](C(=O)c1cc(C)nn1C)C1(O)C(=O)c2ccccc2C1=O ZINC000020606514 487611296 /nfs/dbraw/zinc/61/12/96/487611296.db2.gz KCVRTJRSGMLZED-CQSZACIVSA-N 0 0 370.361 0.901 50 10 FCCARN COCCOCC(=O)N1CCOc2ccc(N3CCOCC3)cc2C1 ZINC000581789035 836087194 /nfs/dbraw/zinc/08/71/94/836087194.db2.gz FPZYDGDJSVZKKS-UHFFFAOYSA-N 0 0 350.415 0.907 50 10 FCCARN C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 ZINC000048252908 136123111 /nfs/dbraw/zinc/12/31/11/136123111.db2.gz OILXWZBLZPWKPL-CYBMUJFWSA-N 0 0 370.409 0.651 50 10 FCCARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=S)NC1=O ZINC000101042371 488494514 /nfs/dbraw/zinc/49/45/14/488494514.db2.gz HPJIZBKFIUHHME-ZDUSSCGKSA-N 0 0 372.406 0.256 50 10 FCCARN COCCN1C(=O)/C(=C/NC(=O)Nc2ccc(C)cc2)C(=O)NC1=S ZINC000013149315 663966095 /nfs/dbraw/zinc/96/60/95/663966095.db2.gz ABFCRVSAAIGKJQ-FMIVXFBMSA-N 0 0 362.411 0.890 50 10 FCCARN COc1ccc(N(C)CCNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000067613254 205378597 /nfs/dbraw/zinc/37/85/97/205378597.db2.gz LBPFSXSQTLOTQH-UHFFFAOYSA-N 0 0 369.487 0.919 50 10 FCCARN CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000005878651 487490724 /nfs/dbraw/zinc/49/07/24/487490724.db2.gz NLCLVLYRCQHGII-UHFFFAOYSA-N 0 0 374.397 0.155 50 10 FCCARN CCOc1ccc(N2C(=O)C(=CNCC[NH+](C)C)C(=O)[N-]C2=S)cc1 ZINC000019362706 487604496 /nfs/dbraw/zinc/60/44/96/487604496.db2.gz BOIYDELPYVPNAS-SDNWHVSQSA-N 0 0 362.455 0.868 50 10 FCCARN CN1C(=O)C(=CNCCN2CCOCC2)C(=O)N(c2ccccc2)C1=S ZINC000020025185 487608050 /nfs/dbraw/zinc/60/80/50/487608050.db2.gz DMXZKEGGOBKBJB-FYWRMAATSA-N 0 0 374.466 0.582 50 10 FCCARN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNC12CN3CN(CN(C3)C1)C2 ZINC000210976315 571129807 /nfs/dbraw/zinc/12/98/07/571129807.db2.gz IRUVFXUDPSMRCZ-OMCISZLKSA-N 0 0 356.405 0.580 50 10 FCCARN COc1ccc(CN2C(=O)[N-]C(=O)C(=CNCCC[NH+](C)C)C2=O)cc1 ZINC000100770848 206225135 /nfs/dbraw/zinc/22/51/35/206225135.db2.gz UEXAOKSLULMCLW-RVDMUPIBSA-N 0 0 360.414 0.699 50 10 FCCARN CCOC(=O)[C@@H]1[C@@H](c2ccc(O)c(O)c2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000002701373 206230736 /nfs/dbraw/zinc/23/07/36/206230736.db2.gz ZISULMFSOPDJLP-CWSCBRNRSA-N 0 0 364.276 0.882 50 10 FCCARN COc1cccc([C@@H]2[NH2+][C@](C)(C(=O)[O-])[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1O ZINC000245236886 488463074 /nfs/dbraw/zinc/46/30/74/488463074.db2.gz WNPOIOPYLLSBQR-RSLFNQERSA-N 0 0 362.382 0.898 50 10 FCCARN COCCN1C(=O)C(=CNC[C@@H]2CC2(Cl)Cl)C(=O)NC1=S ZINC000105337964 488508869 /nfs/dbraw/zinc/50/88/69/488508869.db2.gz OCXHYUXCTQMZLR-DGUDBNDOSA-N 0 0 352.243 0.543 50 10 FCCARN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NC#N ZINC000669632678 493516293 /nfs/dbraw/zinc/51/62/93/493516293.db2.gz PQWAOATXVFCFPV-ZROIWOOFSA-O 0 0 356.387 0.617 50 10 FCCARN COc1ccc(N2CCN(C(=O)COC(=O)c3cnccn3)CC2)cc1 ZINC000005398540 536682541 /nfs/dbraw/zinc/68/25/41/536682541.db2.gz IMONYCZYBCWFTN-UHFFFAOYSA-N 0 0 356.382 0.991 50 10 FCCARN CN(C)S(=O)(=O)c1ccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000005689798 207112032 /nfs/dbraw/zinc/11/20/32/207112032.db2.gz PREHESAXLZWXKA-UHFFFAOYSA-N 0 0 366.399 0.283 50 10 FCCARN CCOC(=O)[C@@H]1[C@H](c2ccc(O)c(O)c2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000006439215 207140205 /nfs/dbraw/zinc/14/02/05/207140205.db2.gz ZISULMFSOPDJLP-OUJBWJOFSA-N 0 0 364.276 0.882 50 10 FCCARN Cc1c2ccc(O)c(O)c2oc(=O)c1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000008764659 207247665 /nfs/dbraw/zinc/24/76/65/207247665.db2.gz RSIHHODLQFZVEB-VIFPVBQESA-N 0 0 367.379 0.358 50 10 biogenic FCCARN Cc1c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000001171639 487469959 /nfs/dbraw/zinc/46/99/59/487469959.db2.gz KBKGZMIZNWUBND-UHFFFAOYSA-N 0 0 354.366 0.918 50 10 FCCARN O=C1NC(=S)N(C2CCCCC2)C(=O)C1=CNCCN1CCOCC1 ZINC000019994893 487608077 /nfs/dbraw/zinc/60/80/77/487608077.db2.gz PLZKKYMZPVPGOK-WYMLVPIESA-N 0 0 366.487 0.368 50 10 FCCARN CCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 ZINC000021887086 487618107 /nfs/dbraw/zinc/61/81/07/487618107.db2.gz ZPEYDRZUYAILCO-SFHVURJKSA-N 0 0 374.485 0.695 50 10 FCCARN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000058424273 488283061 /nfs/dbraw/zinc/28/30/61/488283061.db2.gz GQCRJSZPMKBHNL-CQSZACIVSA-N 0 0 354.476 0.976 50 10 FCCARN COc1ccc(N2CCN(c3nc4c([nH]3)n(C)c(=O)n(C)c4=O)CC2)cc1 ZINC000009356351 536702508 /nfs/dbraw/zinc/70/25/08/536702508.db2.gz OWQJIYDZESXCCS-UHFFFAOYSA-N 0 0 370.413 0.296 50 10 FCCARN O=C1NC(=S)S/C1=C\c1c(=O)n2ccccc2nc1NCCCO ZINC000004193216 207006581 /nfs/dbraw/zinc/00/65/81/207006581.db2.gz FTZINFSJGJVNTL-NTMALXAHSA-N 0 0 362.436 0.978 50 10 FCCARN CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N(C)C1=O ZINC000004182412 487474634 /nfs/dbraw/zinc/47/46/34/487474634.db2.gz MAKUMALEEBBQPF-UHFFFAOYSA-N 0 0 374.353 0.865 50 10 FCCARN COc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CC[NH+](C)CC3)C2=O)cc1 ZINC000020291704 487609710 /nfs/dbraw/zinc/60/97/10/487609710.db2.gz PSOFVMWZZKJJDM-SDNWHVSQSA-N 0 0 359.386 0.118 50 10 FCCARN COC(=O)[C@@H](Cc1ccc(O)cc1)NC=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000020573744 487610687 /nfs/dbraw/zinc/61/06/87/487610687.db2.gz SDFSTXYGJXUMQB-CYBMUJFWSA-N 0 0 361.354 0.000 50 10 FCCARN COc1ccc(N2CCN(C(=O)Cn3nc(CO)c(=O)cc3C)CC2)cc1 ZINC000170598293 488814026 /nfs/dbraw/zinc/81/40/26/488814026.db2.gz DVNCUDHDMZCYTA-UHFFFAOYSA-N 0 0 372.425 0.401 50 10 FCCARN COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=CNCC[NH+](C)C)C2=O)c1 ZINC000002248729 132382922 /nfs/dbraw/zinc/38/29/22/132382922.db2.gz ONSNGYYZENWDQI-ZRDIBKRKSA-N 0 0 362.386 0.322 50 10 FCCARN COCCN1C(=O)C(=CNc2cc(OC)cc(OC)c2)C(=O)NC1=S ZINC000009468820 487527173 /nfs/dbraw/zinc/52/71/73/487527173.db2.gz DJVDCFBECRKUOG-LCYFTJDESA-N 0 0 365.411 0.889 50 10 FCCARN CN(CC(=O)N(C)CC(=O)NC1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000016387123 487590116 /nfs/dbraw/zinc/59/01/16/487590116.db2.gz RKFAAPVCBYNWJV-UHFFFAOYSA-N 0 0 374.485 0.692 50 10 FCCARN O=c1/c(=C/c2cccnc2)sc2n1CN(c1ccc3c(c1)OCO3)CN=2 ZINC000000904656 132379261 /nfs/dbraw/zinc/37/92/61/132379261.db2.gz XOCGHEBSWKOVDA-SOFYXZRVSA-N 0 0 366.402 0.917 50 10 FCCARN C[NH+]1CCN(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)CC1 ZINC000018039603 487600543 /nfs/dbraw/zinc/60/05/43/487600543.db2.gz FBGWWXLQDDYFFA-ZHACJKMWSA-N 0 0 363.805 0.763 50 10 FCCARN Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCN2CC[NH2+]CC2)C1=O ZINC000019949087 487608091 /nfs/dbraw/zinc/60/80/91/487608091.db2.gz QBRSOLDMMBVYRT-OWBHPGMISA-N 0 0 357.414 0.797 50 10 FCCARN CN1C(=O)C(=CNCc2nc(-c3ccccc3)no2)C(=O)N(C)C1=S ZINC000020591828 487610582 /nfs/dbraw/zinc/61/05/82/487610582.db2.gz AWXQIWZNXKUHEA-UHFFFAOYSA-N 0 0 357.395 0.925 50 10 FCCARN C[NH+]1CCN(NC=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)CC1 ZINC000020439483 487611156 /nfs/dbraw/zinc/61/11/56/487611156.db2.gz BAVPSNHVLTVZKX-GXDHUFHOSA-N 0 0 361.377 0.244 50 10 FCCARN CCOC(=O)[C@H](C(=O)c1cc(C)nn1C)C1(O)C(=O)c2ccccc2C1=O ZINC000020606516 487611207 /nfs/dbraw/zinc/61/12/07/487611207.db2.gz KCVRTJRSGMLZED-AWEZNQCLSA-N 0 0 370.361 0.901 50 10 FCCARN CCN1C(=O)C(=CNCC(C)(C)N2CCOCC2)C(=O)N(CC)C1=S ZINC000025436560 487665483 /nfs/dbraw/zinc/66/54/83/487665483.db2.gz ZQPGATDINHNVCJ-UHFFFAOYSA-N 0 0 368.503 0.566 50 10 FCCARN CC1(C)OCC([N+](=O)[O-])([N+](=O)[N-]c2nonc2N2CCOCC2)CO1 ZINC000225423258 488450213 /nfs/dbraw/zinc/45/02/13/488450213.db2.gz YTGHWSSNSYINFR-UHFFFAOYSA-N 0 0 359.319 0.148 50 10 FCCARN COc1ccc(N2C(=O)[N-]C(=O)C(=CNCCN3CC[NH2+]CC3)C2=O)cc1 ZINC000019994573 524392446 /nfs/dbraw/zinc/39/24/46/524392446.db2.gz LUQFCCTZEFMOFB-QINSGFPZSA-N 0 0 373.413 0.497 50 10 FCCARN O=C(NCCO)c1ccc2c(c1NCCO)C(=O)c1ccccc1C2=O ZINC000004333603 207013876 /nfs/dbraw/zinc/01/38/76/207013876.db2.gz PZHCROFMYJIMCX-UHFFFAOYSA-N 0 0 354.362 0.588 50 10 FCCARN COc1cccc(N2C(=O)C(=CNCCC[NH+](C)C)C(=O)[N-]C2=S)c1 ZINC000002304020 132383224 /nfs/dbraw/zinc/38/32/24/132383224.db2.gz MXNUFOGWAYKXJX-SDNWHVSQSA-N 0 0 362.455 0.868 50 10 FCCARN O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCN2C(=O)NC[C@H]2C1 ZINC000075106386 136150097 /nfs/dbraw/zinc/15/00/97/136150097.db2.gz NZGVHGTVTKJEAX-ZVVFDCPKSA-N 0 0 356.426 0.772 50 10 FCCARN CCc1ccc(N2C(=O)[N-]C(=O)C(=CNCCN3CC[NH2+]CC3)C2=O)cc1 ZINC000019371272 487603897 /nfs/dbraw/zinc/60/38/97/487603897.db2.gz PETAWWGQELKDHG-SSZFMOIBSA-N 0 0 371.441 0.211 50 10 FCCARN C[NH+]1CCN(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000020267164 487609217 /nfs/dbraw/zinc/60/92/17/487609217.db2.gz GVDJHDFGUOFDGN-JLHYYAGUSA-N 0 0 363.805 0.763 50 10 FCCARN CC(C)NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 ZINC000022734130 487622969 /nfs/dbraw/zinc/62/29/69/487622969.db2.gz OOVRQYQKQVUXCB-GOSISDBHSA-N 0 0 374.485 0.693 50 10 FCCARN CCCCCCN1C(=O)[N-]C(=O)C(=CNCCC[NH+]2CCOCC2)C1=O ZINC000020291698 520076253 /nfs/dbraw/zinc/07/62/53/520076253.db2.gz AUGWTLMQFPOXGE-PFONDFGASA-N 0 0 366.462 0.841 50 10 FCCARN CCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 ZINC000021887083 535787177 /nfs/dbraw/zinc/78/71/77/535787177.db2.gz ZPEYDRZUYAILCO-GOSISDBHSA-N 0 0 374.485 0.695 50 10 FCCARN CCc1ccc(N2C(=O)[N-]C(=O)C(=CNCCN3CC[NH2+]CC3)C2=O)cc1 ZINC000100765674 536183870 /nfs/dbraw/zinc/18/38/70/536183870.db2.gz PETAWWGQELKDHG-DTQAZKPQSA-N 0 0 371.441 0.211 50 10 FCCARN 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