smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c2nc3ccccc3n2c(NCC[NH3+])cc1C(F)(F)F ZINC000072107949 191037488 /nfs/dbraw/zinc/03/74/88/191037488.db2.gz QVVPRQSOMTYEST-UHFFFAOYSA-N 1 0 319.290 2.749 1 30 DFEFRO Cc1nc(=C[N+](=O)C(C)(C)C)c(C)nc1=CN(O)C(C)(C)C ZINC000084652010 192451924 /nfs/dbraw/zinc/45/19/24/192451924.db2.gz SBEIXKZEOGRZBC-QJUDHZBZSA-N 1 0 306.410 2.549 1 30 DFEFRO CCc1n(C)c2ccccc2[n+]1CC(=O)c1ccc(OC)cc1 ZINC000005327959 181229823 /nfs/dbraw/zinc/22/98/23/181229823.db2.gz ZMTWIVJNVCIYSK-UHFFFAOYSA-N 1 0 309.389 2.920 2 30 DFEFRO C=CCN1C[C@@H]2[C@H](OC)CC[C@H]1C[N@@H+]2Cc1ccc(OC)cc1 ZINC000040423228 183065252 /nfs/dbraw/zinc/06/52/52/183065252.db2.gz OVOUDWSXPLANNM-QXAKKESOSA-N 1 0 316.445 2.545 1 30 DFEFRO CCCCCCCCC#Cc1cccc([C@@H](O)[C@@H]([NH3+])CO)n1 ZINC000043278900 183350189 /nfs/dbraw/zinc/35/01/89/183350189.db2.gz DITGDUIXBJWUQK-WMZOPIPTSA-N 1 0 304.434 2.537 1 30 DFEFRO C=C(C)[C@H]1Cc2c([n+](C)c3c(OC)cc(OC)cc3c2OC)O1 ZINC000000900265 290906274 /nfs/dbraw/zinc/90/62/74/290906274.db2.gz GZDGTOJAUNXBGU-CQSZACIVSA-N 1 0 316.377 2.570 1 30 biogenic,in-vitro DFEFRO C=CC[N@H+]1C[C@H]2CCC[C@@H]1CN2Cc1ccc(OC)cc1OC ZINC000040859905 183142594 /nfs/dbraw/zinc/14/25/94/183142594.db2.gz GZWOTWBZSYRLOY-IAGOWNOFSA-N 1 0 316.445 2.929 1 30 DFEFRO C=CCN1C[C@@H]2[C@@H](OC)CC[C@H]1C[N@@H+]2Cc1ccc(OC)cc1 ZINC000040862352 183144190 /nfs/dbraw/zinc/14/41/90/183144190.db2.gz OVOUDWSXPLANNM-UHOSZYNNSA-N 1 0 316.445 2.545 1 30 DFEFRO CCCCCCOc1ccc(C(C)=NNC2=[NH+]CCN2)cc1 ZINC000013152472 520102720 /nfs/dbraw/zinc/10/27/20/520102720.db2.gz XJECEHJPTJMFPN-ZHZULCJRSA-N 1 0 302.422 2.919 1 30 DFEFRO CC[NH2+]CC#CCCC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000013825139 181903142 /nfs/dbraw/zinc/90/31/42/181903142.db2.gz ZPDGDDHNQRUHEF-UHFFFAOYSA-N 1 0 321.420 2.885 1 30 DFEFRO CSC(SC)=C(C(=O)c1cccc(Cl)c1)[C@H]([NH3+])O ZINC000086861270 525292541 /nfs/dbraw/zinc/29/25/41/525292541.db2.gz SHMUWQQTQPBJIH-LLVKDONJSA-N 1 0 303.836 2.737 2 30 DFEFRO NC(=[NH2+])NN=Cc1ccccc1OCc1ccccc1Cl ZINC000035731296 526818260 /nfs/dbraw/zinc/81/82/60/526818260.db2.gz FHFNQFCQKKPWKZ-OCKHKDLRSA-N 1 0 302.765 2.736 1 30 DFEFRO C=C(C)[C@@H]1Cc2c([n+](C)c3c(OC)cc(OC)cc3c2OC)O1 ZINC000000900267 560179551 /nfs/dbraw/zinc/17/95/51/560179551.db2.gz GZDGTOJAUNXBGU-AWEZNQCLSA-N 1 0 316.377 2.570 1 30 DFEFRO C=CCc1cc(/C=C/CO)ccc1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000040465948 183072812 /nfs/dbraw/zinc/07/28/12/183072812.db2.gz OBFBEASZYVFAEL-DBWMJRBXSA-N 1 0 319.445 2.548 1 30 DFEFRO Brc1ccccc1/C=N/O[C@H]1C[NH+]2CCC1CC2 ZINC000095588523 185381888 /nfs/dbraw/zinc/38/18/88/185381888.db2.gz OOPHBZIKDCXWIW-FSEGOYHTSA-N 1 0 309.207 2.894 1 30 DFEFRO CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](C[NH+]3CCCC3)[C@@H]2CC1 ZINC000096910779 185390960 /nfs/dbraw/zinc/39/09/60/185390960.db2.gz FZWZHZFQJVTDTP-SGVCOHRXSA-N 1 0 317.429 2.528 1 30 DFEFRO C[NH2+][C@H](C)C#Cc1ccc2c(c1)oc1cccc(OC)c1c2=O ZINC000015933833 182025262 /nfs/dbraw/zinc/02/52/62/182025262.db2.gz HCIKQUQYECOARC-GFCCVEGCSA-N 1 0 307.349 2.914 3 30 DFEFRO C[S@@+](CCCCc1c[nH]c2ccccc12)CC[C@H]([NH3+])C(=O)[O-] ZINC000029231299 182556911 /nfs/dbraw/zinc/55/69/11/182556911.db2.gz FINIORMXQFKLHA-OYHNWAKOSA-O 1 0 321.466 2.541 1 30 DFEFRO C=CCN1C[C@H]2[C@H](OC)CC[C@@H]1C[N@@H+]2Cc1ccc(OC)cc1 ZINC000040392919 183061039 /nfs/dbraw/zinc/06/10/39/183061039.db2.gz OVOUDWSXPLANNM-NZSAHSFTSA-N 1 0 316.445 2.545 1 30 DFEFRO COc1cc(C#CCC[N+]23CCC(CC2)C3)cc(OC)c1OC ZINC000058506277 184121129 /nfs/dbraw/zinc/12/11/29/184121129.db2.gz JIILUKCCEAVTGD-UHFFFAOYSA-N 1 0 316.421 2.694 1 30 DFEFRO CSC(SC)=C(C(=O)c1ccc(Cl)cc1)[C@@H]([NH3+])O ZINC000086861283 525293646 /nfs/dbraw/zinc/29/36/46/525293646.db2.gz YINGNBUTCMKIPG-NSHDSACASA-N 1 0 303.836 2.737 2 30 DFEFRO CC[NH+](CC)C[C@@H]1C(=O)O[C@H]2[C@H]1CCC(C)=C1C[C@H]3O[C@@]3(C)[C@@H]12 ZINC000096910776 185391051 /nfs/dbraw/zinc/39/10/51/185391051.db2.gz UXPQRVWLWXZBCJ-SGVCOHRXSA-N 1 0 319.445 2.774 1 30 DFEFRO C=CC[N@H+]1C[C@@H]2CCC[C@H]1CN2Cc1ccc(OC)cc1OC ZINC000040859903 183142719 /nfs/dbraw/zinc/14/27/19/183142719.db2.gz GZWOTWBZSYRLOY-IRXDYDNUSA-N 1 0 316.445 2.929 1 30 DFEFRO CCCCCCCN(C)c1ccc(CCC([NH3+])(CO)CO)cc1 ZINC000042989764 183326084 /nfs/dbraw/zinc/32/60/84/183326084.db2.gz JNISPGASAYSFRW-UHFFFAOYSA-N 1 0 322.493 2.708 1 30 DFEFRO Brc1cccc(/C=N/O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000095588635 185382155 /nfs/dbraw/zinc/38/21/55/185382155.db2.gz MLMSZKRUVUESJE-BRYYZUPOSA-N 1 0 309.207 2.894 1 30 DFEFRO O=C(C[n+]1ccn(Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000015961523 527196348 /nfs/dbraw/zinc/19/63/48/527196348.db2.gz BWPADOCCBNXFAX-UHFFFAOYSA-N 1 0 322.344 2.615 3 30 DFEFRO COc1cc2c3c(c1OC)[C@]1(C=CC(=O)CC1)C[C@H]3[N@H+](C)CC2 ZINC000095912381 560057124 /nfs/dbraw/zinc/05/71/24/560057124.db2.gz WTVDRHSULHNSJV-KUHUBIRLSA-N 1 0 313.397 2.793 1 30 biogenic,in-vitro DFEFRO C=C(C[NH2+]C1C2CC3CC(C2)CC1C3)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1O ZINC000095587738 185381469 /nfs/dbraw/zinc/38/14/69/185381469.db2.gz ZBMWKIKAZYNSSH-YOBRMSEKSA-N 1 0 317.473 2.645 1 30 DFEFRO CC(C)(/C=C/c1ccccc1)[NH2+]CC(=O)N1C[C@@H](F)C[C@H]1C#N ZINC000040379408 183058080 /nfs/dbraw/zinc/05/80/80/183058080.db2.gz JZWXYRUNYYLGNI-FHQWLQQXSA-N 1 0 315.392 2.531 1 30 DFEFRO COc1cc2c3c(c1OC)[C@]1(C=CC(=O)CC1)C[C@@H]3[N@H+](C)CC2 ZINC000039204747 560081693 /nfs/dbraw/zinc/08/16/93/560081693.db2.gz WTVDRHSULHNSJV-LIRRHRJNSA-N 1 0 313.397 2.793 1 30 biogenic,in-vitro DFEFRO N=C(N)c1ccc(-c2ccc(C#Cc3ccc(C(N)=[NH2+])cc3)o2)o1 ZINC000066165823 184394422 /nfs/dbraw/zinc/39/44/22/184394422.db2.gz UAFDMZMHHNJJMD-UHFFFAOYSA-N 1 0 318.336 2.508 1 30 DFEFRO O=C(/C=C/c1ccc(C[NH2+]Cc2c[nH]c3ccccc23)cc1)NO ZINC000013528192 581101774 /nfs/dbraw/zinc/10/17/74/581101774.db2.gz OCSBZWARGZLLJL-MDZDMXLPSA-N 1 0 321.380 2.976 1 30 DFEFRO CCCC[NH2+]C[C@@H]1C(=O)O[C@H]2[C@H]1CCC(C)=C1C[C@H]3O[C@@]3(C)[C@@H]12 ZINC000096910775 185390929 /nfs/dbraw/zinc/39/09/29/185390929.db2.gz WPPZQRWAWWJDRX-SGVCOHRXSA-N 1 0 319.445 2.822 1 30 DFEFRO [NH3+]CCCCCCCCNC1=CC(=O)c2ccccc2C1=O ZINC000101612047 193827809 /nfs/dbraw/zinc/82/78/09/193827809.db2.gz SUJONSBZWJMQAQ-UHFFFAOYSA-N 1 0 300.402 2.838 1 30 DFEFRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N[N+](C)(C)C)O2 ZINC000003918566 181058071 /nfs/dbraw/zinc/05/80/71/181058071.db2.gz NKFAOOUVGYKXJH-KRWDZBQOSA-O 1 0 307.414 2.979 1 30 DFEFRO CCOP(=O)(OCC)C1(C#N)SCC([NH+](C)C)CS1 ZINC000039612623 183021210 /nfs/dbraw/zinc/02/12/10/183021210.db2.gz QITNMZDOCCPRMW-UHFFFAOYSA-N 1 0 324.408 2.840 1 30 DFEFRO NC(=[NH2+])N=NC=C1CCc2ccccc2C1Oc1ccccc1 ZINC000040861658 183143797 /nfs/dbraw/zinc/14/37/97/183143797.db2.gz QBFQCTGYUBNAND-CIAFOILYSA-N 1 0 306.369 2.892 1 30 DFEFRO N#Cc1cccc(-c2ccccc2C(=O)NCC2CC[NH2+]CC2)c1 ZINC000049045958 183705815 /nfs/dbraw/zinc/70/58/15/183705815.db2.gz JFJQHAZGJMUWMV-UHFFFAOYSA-N 1 0 319.408 2.955 1 30 DFEFRO CSC(SC)=C(C(=O)c1cccc(Cl)c1)[C@@H]([NH3+])O ZINC000086861269 525293429 /nfs/dbraw/zinc/29/34/29/525293429.db2.gz SHMUWQQTQPBJIH-NSHDSACASA-N 1 0 303.836 2.737 2 30 DFEFRO CC(=O)N1CCC2(CCC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000003956077 181059068 /nfs/dbraw/zinc/05/90/68/181059068.db2.gz HWVDIOQBXQLDKB-UHFFFAOYSA-N 1 0 311.429 2.783 1 30 DFEFRO COc1ccc(C(=O)O/N=C2/CCCC[C@H]2C[NH+](C)C)cc1 ZINC000005888164 181292951 /nfs/dbraw/zinc/29/29/51/181292951.db2.gz JANUYWWCBKSTIV-HFUDNHEJSA-N 1 0 304.390 2.960 1 30 DFEFRO CN(C(=O)C(F)(F)F)[C@@H](C#CC[NH+]1CCCC1)c1ccccc1 ZINC000013448138 181851553 /nfs/dbraw/zinc/85/15/53/181851553.db2.gz CTPZAQGPYTYXAV-HNNXBMFYSA-N 1 0 324.346 2.848 1 30 DFEFRO CCCCCCCCCCCCNC(=O)[C@@H]([NH3+])CCC(N)=O ZINC000043328161 183354904 /nfs/dbraw/zinc/35/49/04/183354904.db2.gz SORJFUAWIMPICZ-HNNXBMFYSA-N 1 0 313.486 2.616 1 30 DFEFRO O=C(/C=C/c1ccc(C[NH2+]Cc2cc3ccccc3[nH]2)cc1)NO ZINC000013528175 581101785 /nfs/dbraw/zinc/10/17/85/581101785.db2.gz SSTBBHZVXHZXTP-MDZDMXLPSA-N 1 0 321.380 2.976 1 30 DFEFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)[N@@H+]2CC#CCF ZINC000073199396 191291991 /nfs/dbraw/zinc/29/19/91/191291991.db2.gz FKGRGXGPHJMAIR-MLHJIOFPSA-N 1 0 315.388 2.769 1 30 DFEFRO CC1=C(OCCC[n+]2ccccc2)C(=O)c2ccccc2C1=O ZINC000095557852 185379673 /nfs/dbraw/zinc/37/96/73/185379673.db2.gz HEJKLSHQVITEIF-UHFFFAOYSA-N 1 0 308.357 2.734 1 30 DFEFRO CC#CNC(=O)[C@]12C[C@@]1(c1ccc(Cl)c(Cl)c1)CC[NH2+]C2 ZINC000096901240 185390503 /nfs/dbraw/zinc/39/05/03/185390503.db2.gz QUJMNYWULZSJDX-HZPDHXFCSA-N 1 0 323.223 2.712 1 30 DFEFRO CO[C@@H]1C=C(C[NH+]2CCCCC2)C(=O)[C@H](c2ccccc2)O1 ZINC000103191326 185437693 /nfs/dbraw/zinc/43/76/93/185437693.db2.gz JPBRCOLXWZJYFP-WMZOPIPTSA-N 1 0 301.386 2.712 1 30 DFEFRO C[NH2+]Cc1[nH]nc2cccc(Oc3cc(C#N)cc(C#N)c3)c21 ZINC000040914788 183148337 /nfs/dbraw/zinc/14/83/37/183148337.db2.gz GRLLIRKDPSDACJ-UHFFFAOYSA-N 1 0 303.325 2.818 1 30 DFEFRO C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](C[NH2+]C3CC3)[C@@H]2CC1 ZINC000043018166 183329084 /nfs/dbraw/zinc/32/90/84/183329084.db2.gz RWKOEMQLQXBJAV-NENSWBDFSA-N 1 0 305.418 2.574 1 30 DFEFRO CCCCCNC(=[NH2+])NN=Cc1c[nH]c2ccc(C(C)=O)cc12 ZINC000035565254 520176978 /nfs/dbraw/zinc/17/69/78/520176978.db2.gz PBQAKQBNHMKDDE-SRZZPIQSSA-N 1 0 313.405 2.799 2 30 DFEFRO C=CC[C@@]12CC[N@H+](CC3CC3)[C@@H](Cc3ccc(O)cc31)[C@]2(C)O ZINC000140888408 186028588 /nfs/dbraw/zinc/02/85/88/186028588.db2.gz SFLZEFJIGARNRQ-SLFFLAALSA-N 1 0 313.441 2.998 1 30 DFEFRO C=C(C)C[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1O ZINC000195137891 201346490 /nfs/dbraw/zinc/34/64/90/201346490.db2.gz YVWYQSWHQOIBTK-DJIMGWMZSA-N 1 0 317.429 2.950 1 30 DFEFRO Brc1ccccc1/C=N/O[C@@H]1C[NH+]2CCC1CC2 ZINC000095588522 185381955 /nfs/dbraw/zinc/38/19/55/185381955.db2.gz OOPHBZIKDCXWIW-BRYYZUPOSA-N 1 0 309.207 2.894 1 30 DFEFRO Cn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21 ZINC000040421847 183064757 /nfs/dbraw/zinc/06/47/57/183064757.db2.gz MNTZTXLUYBQSMI-FMIVXFBMSA-N 1 0 321.380 2.877 1 30 DFEFRO C=CCc1cc(/C=C/CO)ccc1OC[C@@H](O)C[NH2+]C(C)(C)C ZINC000040465946 183072835 /nfs/dbraw/zinc/07/28/35/183072835.db2.gz OBFBEASZYVFAEL-JKNJVXJCSA-N 1 0 319.445 2.548 1 30 DFEFRO N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000095586529 185381693 /nfs/dbraw/zinc/38/16/93/185381693.db2.gz ZHXWFZOIQKGLAW-XWSJACJDSA-N 1 0 317.392 2.866 1 30 DFEFRO CSC(=N)NN=Cc1ccc(-c2c[n+]3ccccc3n2C)cc1 ZINC000026834368 182455289 /nfs/dbraw/zinc/45/52/89/182455289.db2.gz XBRQUHYIGYALOS-YBFXNURJSA-N 1 0 324.433 2.652 1 30 DFEFRO N#Cc1ccc(-c2ccc(OCCCN3CC[NH2+]CC3)cc2)cc1 ZINC000022941185 182343643 /nfs/dbraw/zinc/34/36/43/182343643.db2.gz WQTAFNUFMGEGDM-UHFFFAOYSA-N 1 0 321.424 2.899 1 30 DFEFRO COc1nc(C)c2c(C)[n+](Cc3cccc(C)c3)cnc2c1C#N ZINC000072141123 191049535 /nfs/dbraw/zinc/04/95/35/191049535.db2.gz GNZOVNAEYLMPFU-UHFFFAOYSA-N 1 0 318.380 2.645 1 30 DFEFRO C=C(C)C[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1O ZINC000195137909 201346055 /nfs/dbraw/zinc/34/60/55/201346055.db2.gz YVWYQSWHQOIBTK-USXIJHARSA-N 1 0 317.429 2.950 1 30 DFEFRO C=C[C@]12C[N@@H+](C)[C@@H]3C[C@]14c1ccccc1N[C@H]4[C@@H]1C[C@H]2[C@H]3CO1 ZINC000070454050 560048802 /nfs/dbraw/zinc/04/88/02/560048802.db2.gz CNWSBBUAKGYFRY-STXAGSQYSA-N 1 0 308.425 2.644 1 30 biogenic,in-vitro DFEFRO CN(C)c1ccc2[nH]c(CCCCCCC(=O)NO)[nH+]c2c1 ZINC000096914761 185391146 /nfs/dbraw/zinc/39/11/46/185391146.db2.gz GUBSRZLADIYCGI-UHFFFAOYSA-N 1 0 304.394 2.627 1 30 DFEFRO C[NH2+][C@@H](C)C#Cc1ccc2oc3cccc(OC)c3c(=O)c2c1 ZINC000015934054 182025462 /nfs/dbraw/zinc/02/54/62/182025462.db2.gz SXIXYPDTTJTKQP-LBPRGKRZSA-N 1 0 307.349 2.914 3 30 DFEFRO CSC(SC)=C(C(=O)c1ccc(Cl)cc1)[C@H]([NH3+])O ZINC000086861284 525293707 /nfs/dbraw/zinc/29/37/07/525293707.db2.gz YINGNBUTCMKIPG-LLVKDONJSA-N 1 0 303.836 2.737 2 30 DFEFRO O=C(/C=C/c1ccc(C[NH2+]CCCc2ccccc2)cc1)NO ZINC000013528165 581101849 /nfs/dbraw/zinc/10/18/49/581101849.db2.gz IYVIAGDMQOYYQC-OUKQBFOZSA-N 1 0 310.397 2.928 1 30 DFEFRO Brc1cccc(/C=N/O[C@H]2C[NH+]3CCC2CC3)c1 ZINC000095588636 185382173 /nfs/dbraw/zinc/38/21/73/185382173.db2.gz MLMSZKRUVUESJE-FSEGOYHTSA-N 1 0 309.207 2.894 1 30 DFEFRO CC(C)/C(=[NH+]\C(=N\c1ccccc1)N1CCOCC1)N(C)C ZINC000100794687 193804741 /nfs/dbraw/zinc/80/47/41/193804741.db2.gz VALXDMWFNNLRNG-XTCPURHUSA-N 1 0 302.422 2.622 1 30 DFEFRO COc1nc(C)c2c(C)[n+](Cc3ccc(C)cc3)cnc2c1C#N ZINC000072123280 191041482 /nfs/dbraw/zinc/04/14/82/191041482.db2.gz UDSVPWHQCHENBI-UHFFFAOYSA-N 1 0 318.380 2.645 1 30 DFEFRO COc1ccc(-c2cc[n+](CC(=O)c3cccs3)cn2)cc1 ZINC000005670680 181270094 /nfs/dbraw/zinc/27/00/94/181270094.db2.gz FCCCEIKFZFUIPV-UHFFFAOYSA-N 1 0 311.386 2.989 2 30 DFEFRO C=CC[NH+]=C1N[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N1CC ZINC000015937418 182025861 /nfs/dbraw/zinc/02/58/61/182025861.db2.gz QRAQFMGBNQWDKW-INIZCTEOSA-N 1 0 313.401 2.642 3 30 DFEFRO C/C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](C[NH+]3CCCC3)[C@@H]2CC1 ZINC000043122103 183338827 /nfs/dbraw/zinc/33/88/27/183338827.db2.gz DOMMRWACTLYMQL-SKPOUHOJSA-N 1 0 319.445 2.918 1 30 DFEFRO C[NH2+][C@H](C)C#Cc1ccc2oc3cccc(OC)c3c(=O)c2c1 ZINC000015934055 182025156 /nfs/dbraw/zinc/02/51/56/182025156.db2.gz SXIXYPDTTJTKQP-GFCCVEGCSA-N 1 0 307.349 2.914 3 30 DFEFRO COc1ccc(Sc2ccccc2C=NNC(N)=[NH2+])cc1 ZINC000040423022 183065490 /nfs/dbraw/zinc/06/54/90/183065490.db2.gz HZGVWFPRPVOKSP-VCHYOVAHSA-N 1 0 300.387 2.663 1 30 DFEFRO C=CCN1C[C@H]2[C@@H](OC)CC[C@@H]1C[N@@H+]2Cc1ccc(OC)cc1 ZINC000040861085 183143967 /nfs/dbraw/zinc/14/39/67/183143967.db2.gz OVOUDWSXPLANNM-NEWSRXKRSA-N 1 0 316.445 2.545 1 30 DFEFRO C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](C[NH+]3CCCC3)[C@@H]2CC1 ZINC000043122099 183338819 /nfs/dbraw/zinc/33/88/19/183338819.db2.gz DOMMRWACTLYMQL-RVWSHRBGSA-N 1 0 319.445 2.918 1 30 DFEFRO C[NH+](C)CCCNC(=O)c1cccc(-c2ccc3nncn3c2)c1 ZINC000061928175 184196226 /nfs/dbraw/zinc/19/62/26/184196226.db2.gz OZLNTUVMDKNKLG-UHFFFAOYSA-N 1 0 323.400 2.653 3 30 DFEFRO C[NH2+][C@@H](C)C#Cc1ccc2c(c1)oc1cccc(OC)c1c2=O ZINC000015933832 182025096 /nfs/dbraw/zinc/02/50/96/182025096.db2.gz HCIKQUQYECOARC-LBPRGKRZSA-N 1 0 307.349 2.914 3 30 DFEFRO COC(=O)CN1C(=O)C2=CC(=N[N+]#N)C=C3CC=CC(=C32)C1=O ZINC000026469117 182441945 /nfs/dbraw/zinc/44/19/45/182441945.db2.gz OZSHHPCNJSASRP-UHFFFAOYSA-N 1 0 310.269 2.551 1 30 DFEFRO NC(=[NH2+])NN=Cc1cccc(F)c1OCc1ccc(Cl)cc1 ZINC000028888719 182544282 /nfs/dbraw/zinc/54/42/82/182544282.db2.gz AYUTVIVIEVCEQQ-DNTJNYDQSA-N 1 0 320.755 2.875 1 30 DFEFRO CCCCCCC[N@@H+]1CCc2c(ccc3[nH]c(=O)c(=O)[nH]c32)C1 ZINC000043362142 183357040 /nfs/dbraw/zinc/35/70/40/183357040.db2.gz KDSLKQNSHOVUMN-UHFFFAOYSA-N 1 0 315.417 2.545 1 30 DFEFRO