smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000000010230 166353694 /nfs/dbraw/zinc/35/36/94/166353694.db2.gz OVABAYQHBLZQMC-UHFFFAOYSA-N 1 1 217.287 3.101 20 30 BGEDMO C[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000003203802 363084321 /nfs/dbraw/zinc/08/43/21/363084321.db2.gz NQZHAQJLMIKTCS-UHFFFAOYSA-N 1 1 235.330 3.170 20 30 BGEDMO C=CC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000005157757 349255076 /nfs/dbraw/zinc/25/50/76/349255076.db2.gz ZVVRTPHRMJVLOU-OAHLLOKOSA-N 1 1 215.340 3.270 20 30 BGEDMO C=CC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000005157758 349255331 /nfs/dbraw/zinc/25/53/31/349255331.db2.gz ZVVRTPHRMJVLOU-HNNXBMFYSA-N 1 1 215.340 3.270 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000005382864 188096331 /nfs/dbraw/zinc/09/63/31/188096331.db2.gz YBSDIXZEUCSVBU-CQSZACIVSA-N 1 1 201.313 3.227 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000005382881 188225476 /nfs/dbraw/zinc/22/54/76/188225476.db2.gz YBSDIXZEUCSVBU-AWEZNQCLSA-N 1 1 201.313 3.227 20 30 BGEDMO N#Cc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000016332805 187310441 /nfs/dbraw/zinc/31/04/41/187310441.db2.gz GLBJASROQTUOAI-UHFFFAOYSA-N 1 1 248.329 3.117 20 30 BGEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000019425134 386740433 /nfs/dbraw/zinc/74/04/33/386740433.db2.gz VDXSGLNJESVCMX-UHFFFAOYSA-N 1 1 228.339 3.323 20 30 BGEDMO CC(C)[N@@H+](CCCC#N)Cc1ccccc1 ZINC000019430419 188073901 /nfs/dbraw/zinc/07/39/01/188073901.db2.gz SIIMYHKYVWAIBH-UHFFFAOYSA-N 1 1 216.328 3.201 20 30 BGEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000019434669 386118214 /nfs/dbraw/zinc/11/82/14/386118214.db2.gz PRAWRQNMFRXVGW-UHFFFAOYSA-N 1 1 236.318 3.190 20 30 BGEDMO C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000019438632 387035330 /nfs/dbraw/zinc/03/53/30/387035330.db2.gz JXOZWCPFYHONDX-UHFFFAOYSA-N 1 1 236.318 3.190 20 30 BGEDMO C[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000019475419 176074229 /nfs/dbraw/zinc/07/42/29/176074229.db2.gz HGAODPGCXRIPMP-LLVKDONJSA-N 1 1 232.302 3.072 20 30 BGEDMO C[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000019475421 177076277 /nfs/dbraw/zinc/07/62/77/177076277.db2.gz HGAODPGCXRIPMP-NSHDSACASA-N 1 1 232.302 3.072 20 30 BGEDMO C[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000019480028 386815451 /nfs/dbraw/zinc/81/54/51/386815451.db2.gz NXFGECNSEOTFHO-UHFFFAOYSA-N 1 1 236.318 3.190 20 30 BGEDMO C[N@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000019480028 386815446 /nfs/dbraw/zinc/81/54/46/386815446.db2.gz NXFGECNSEOTFHO-UHFFFAOYSA-N 1 1 236.318 3.190 20 30 BGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000019486481 176072829 /nfs/dbraw/zinc/07/28/29/176072829.db2.gz OERIWRHEWRWBRL-LLVKDONJSA-N 1 1 232.302 3.072 20 30 BGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000019486483 177077867 /nfs/dbraw/zinc/07/78/67/177077867.db2.gz OERIWRHEWRWBRL-NSHDSACASA-N 1 1 232.302 3.072 20 30 BGEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CCCCC1 ZINC000019512668 387556686 /nfs/dbraw/zinc/55/66/86/387556686.db2.gz JSKGVAKFOCPXCW-UHFFFAOYSA-N 1 1 228.339 3.323 20 30 BGEDMO CCCC[N@@H+](CC)Cc1ccccc1C#N ZINC000019804695 386615117 /nfs/dbraw/zinc/61/51/17/386615117.db2.gz QNNGBAQMFMHYMX-UHFFFAOYSA-N 1 1 216.328 3.180 20 30 BGEDMO CCCC[N@@H+](CC)Cc1ccc(C#N)cc1F ZINC000019804696 371189768 /nfs/dbraw/zinc/18/97/68/371189768.db2.gz FSMIWNRNXBLLHZ-UHFFFAOYSA-N 1 1 234.318 3.319 20 30 BGEDMO CCCC[N@@H+](CC)Cc1cc(C#N)ccc1F ZINC000019804697 371190195 /nfs/dbraw/zinc/19/01/95/371190195.db2.gz AVLWTNPLNDPYJO-UHFFFAOYSA-N 1 1 234.318 3.319 20 30 BGEDMO CCCC[N@@H+](CC)Cc1ccc(C#N)cc1 ZINC000019804699 371189217 /nfs/dbraw/zinc/18/92/17/371189217.db2.gz YXBDGGVWPHIFFY-UHFFFAOYSA-N 1 1 216.328 3.180 20 30 BGEDMO CCCC[N@@H+](CC)Cc1cccc(C#N)c1 ZINC000019804701 352428871 /nfs/dbraw/zinc/42/88/71/352428871.db2.gz SBRJICYAGRMXME-UHFFFAOYSA-N 1 1 216.328 3.180 20 30 BGEDMO C[N@@H+](Cc1ccccc1C#N)C1CCCCC1 ZINC000019804707 388748320 /nfs/dbraw/zinc/74/83/20/388748320.db2.gz MADSAJXBANRSCV-UHFFFAOYSA-N 1 1 228.339 3.323 20 30 BGEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000019804709 388748501 /nfs/dbraw/zinc/74/85/01/388748501.db2.gz XKVQLUMGHUNSHU-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C1CCCCC1 ZINC000019804711 411159918 /nfs/dbraw/zinc/15/99/18/411159918.db2.gz OCWNXOBKDPMFDX-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000019804734 177315459 /nfs/dbraw/zinc/31/54/59/177315459.db2.gz LRFXZFDOUZOFAZ-TXEJJXNPSA-N 1 1 246.329 3.175 20 30 BGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000019804740 177313249 /nfs/dbraw/zinc/31/32/49/177313249.db2.gz YBUREOPBTFHLHJ-TXEJJXNPSA-N 1 1 246.329 3.175 20 30 BGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cccc(C#N)c2)C1 ZINC000019804750 177314459 /nfs/dbraw/zinc/31/44/59/177314459.db2.gz HTBPLYXLNFSSCB-BETUJISGSA-N 1 1 228.339 3.036 20 30 BGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccccc1C#N ZINC000019804764 177117374 /nfs/dbraw/zinc/11/73/74/177117374.db2.gz OPDVCKSKNLVEHK-BETUJISGSA-N 1 1 228.339 3.321 20 30 BGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC000019804768 177117348 /nfs/dbraw/zinc/11/73/48/177117348.db2.gz YXXJVQQWYDFFKN-TXEJJXNPSA-N 1 1 246.329 3.460 20 30 BGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(C#N)ccc1F ZINC000019804771 177116785 /nfs/dbraw/zinc/11/67/85/177116785.db2.gz WFCNQHBWVXNGSL-TXEJJXNPSA-N 1 1 246.329 3.460 20 30 BGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000019804774 177117928 /nfs/dbraw/zinc/11/79/28/177117928.db2.gz NWGBUTGICDNQLU-BETUJISGSA-N 1 1 228.339 3.321 20 30 BGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc(C#N)c1 ZINC000019804779 177117389 /nfs/dbraw/zinc/11/73/89/177117389.db2.gz IEYQNIHDOQPYBF-BETUJISGSA-N 1 1 228.339 3.321 20 30 BGEDMO C[N@@H+](CCC#N)Cc1cccc2ccccc21 ZINC000019834151 342959155 /nfs/dbraw/zinc/95/91/55/342959155.db2.gz NKGSQUYVMFRTIZ-UHFFFAOYSA-N 1 1 224.307 3.185 20 30 BGEDMO C[N@H+](CCC#N)Cc1cccc2ccccc21 ZINC000019834151 342959154 /nfs/dbraw/zinc/95/91/54/342959154.db2.gz NKGSQUYVMFRTIZ-UHFFFAOYSA-N 1 1 224.307 3.185 20 30 BGEDMO C#CC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000019875513 166192327 /nfs/dbraw/zinc/19/23/27/166192327.db2.gz LGGAVKHYWCAVJT-MRVPVSSYSA-N 1 1 228.122 3.277 20 30 BGEDMO C#CC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000019875514 166191416 /nfs/dbraw/zinc/19/14/16/166191416.db2.gz LGGAVKHYWCAVJT-QMMMGPOBSA-N 1 1 228.122 3.277 20 30 BGEDMO C#CC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000019875515 166192216 /nfs/dbraw/zinc/19/22/16/166192216.db2.gz OQZMXZWWEMTUGC-MRVPVSSYSA-N 1 1 228.122 3.277 20 30 BGEDMO C#CC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000019875516 166191092 /nfs/dbraw/zinc/19/10/92/166191092.db2.gz OQZMXZWWEMTUGC-QMMMGPOBSA-N 1 1 228.122 3.277 20 30 BGEDMO CC(C)c1[nH+]ccn1Cc1ccc(C#N)cc1F ZINC000020030471 371219948 /nfs/dbraw/zinc/21/99/48/371219948.db2.gz SEKWWWQLQAMGNW-UHFFFAOYSA-N 1 1 243.285 3.066 20 30 BGEDMO CC(C)c1[nH+]ccn1Cc1cc(C#N)ccc1F ZINC000020030474 371219940 /nfs/dbraw/zinc/21/99/40/371219940.db2.gz OGALBAXSVSFFFT-UHFFFAOYSA-N 1 1 243.285 3.066 20 30 BGEDMO N#CCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000020199376 633808964 /nfs/dbraw/zinc/80/89/64/633808964.db2.gz PPJXZMHINFSJHD-UHFFFAOYSA-N 1 1 236.318 3.357 20 30 BGEDMO C[C@@H]([NH2+]CCC#N)c1ccccc1C(F)(F)F ZINC000020199575 352140788 /nfs/dbraw/zinc/14/07/88/352140788.db2.gz MMLMAHVVBBSBMQ-SECBINFHSA-N 1 1 242.244 3.270 20 30 BGEDMO C[C@H]([NH2+]CCC#N)c1ccccc1C(F)(F)F ZINC000020199577 352140745 /nfs/dbraw/zinc/14/07/45/352140745.db2.gz MMLMAHVVBBSBMQ-VIFPVBQESA-N 1 1 242.244 3.270 20 30 BGEDMO CC[C@@H]([NH2+]CCC#N)c1cccc(Cl)c1 ZINC000020199634 535803183 /nfs/dbraw/zinc/80/31/83/535803183.db2.gz NRYPERZXBZLIPU-GFCCVEGCSA-N 1 1 222.719 3.294 20 30 BGEDMO CC[C@H]([NH2+]CCC#N)c1cccc(Cl)c1 ZINC000020199636 385422626 /nfs/dbraw/zinc/42/26/26/385422626.db2.gz NRYPERZXBZLIPU-LBPRGKRZSA-N 1 1 222.719 3.294 20 30 BGEDMO C[C@@H]([NH2+]CCC#N)c1cccc(C(F)(F)F)c1 ZINC000020199657 384595421 /nfs/dbraw/zinc/59/54/21/384595421.db2.gz QWVYFULIHVNARY-SECBINFHSA-N 1 1 242.244 3.270 20 30 BGEDMO C[C@H]([NH2+]CCC#N)c1cccc(C(F)(F)F)c1 ZINC000020199659 384596964 /nfs/dbraw/zinc/59/69/64/384596964.db2.gz QWVYFULIHVNARY-VIFPVBQESA-N 1 1 242.244 3.270 20 30 BGEDMO CC[C@@H]([NH2+]CCC#N)c1ccc(Cl)cc1 ZINC000020199676 385422809 /nfs/dbraw/zinc/42/28/09/385422809.db2.gz BAGPYWWMLNJPMP-GFCCVEGCSA-N 1 1 222.719 3.294 20 30 BGEDMO CC[C@H]([NH2+]CCC#N)c1ccc(Cl)cc1 ZINC000020199678 385421986 /nfs/dbraw/zinc/42/19/86/385421986.db2.gz BAGPYWWMLNJPMP-LBPRGKRZSA-N 1 1 222.719 3.294 20 30 BGEDMO CC(C)Oc1ccc([C@@H](C)[NH2+]CCC#N)cc1 ZINC000020199836 384596527 /nfs/dbraw/zinc/59/65/27/384596527.db2.gz MJKINXCIKQYPCE-GFCCVEGCSA-N 1 1 232.327 3.038 20 30 BGEDMO CC(C)Oc1ccc([C@H](C)[NH2+]CCC#N)cc1 ZINC000020199838 384596058 /nfs/dbraw/zinc/59/60/58/384596058.db2.gz MJKINXCIKQYPCE-LBPRGKRZSA-N 1 1 232.327 3.038 20 30 BGEDMO C[C@@H]([NH2+]CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000020200017 133452439 /nfs/dbraw/zinc/45/24/39/133452439.db2.gz CDLKAYVOYSAOHH-SECBINFHSA-N 1 1 242.244 3.270 20 30 BGEDMO C[C@H]([NH2+]CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000020200019 384595815 /nfs/dbraw/zinc/59/58/15/384595815.db2.gz CDLKAYVOYSAOHH-VIFPVBQESA-N 1 1 242.244 3.270 20 30 BGEDMO CCC[C@@H]([NH2+]CCC#N)c1ccccc1 ZINC000020200028 385422557 /nfs/dbraw/zinc/42/25/57/385422557.db2.gz ZGGJDQWQLAKXLP-CYBMUJFWSA-N 1 1 202.301 3.031 20 30 BGEDMO CCC[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000020200029 385422502 /nfs/dbraw/zinc/42/25/02/385422502.db2.gz ZGGJDQWQLAKXLP-ZDUSSCGKSA-N 1 1 202.301 3.031 20 30 BGEDMO CCCCCOc1ccc(C[NH2+]CCC#N)cc1 ZINC000020200085 134223593 /nfs/dbraw/zinc/22/35/93/134223593.db2.gz SSVDKQPXHHKPDF-UHFFFAOYSA-N 1 1 246.354 3.259 20 30 BGEDMO CC(C)CCOc1ccc(C[NH2+]CCC#N)cc1 ZINC000020200100 633810855 /nfs/dbraw/zinc/81/08/55/633810855.db2.gz RUBBSKIPHSERMH-UHFFFAOYSA-N 1 1 246.354 3.115 20 30 BGEDMO C[C@@H]([NH2+]CCC#N)c1ccc2c(c1)CCCC2 ZINC000020200209 384596797 /nfs/dbraw/zinc/59/67/97/384596797.db2.gz CNVLNSLGWJRGQZ-GFCCVEGCSA-N 1 1 228.339 3.130 20 30 BGEDMO C[C@H]([NH2+]CCC#N)c1ccc2c(c1)CCCC2 ZINC000020200211 384595705 /nfs/dbraw/zinc/59/57/05/384595705.db2.gz CNVLNSLGWJRGQZ-LBPRGKRZSA-N 1 1 228.339 3.130 20 30 BGEDMO CC1(C)CC[C@@H]([NH2+]CCC#N)c2ccccc21 ZINC000026513322 343277199 /nfs/dbraw/zinc/27/71/99/343277199.db2.gz YNWNYTMEFIWMAS-CQSZACIVSA-N 1 1 228.339 3.302 20 30 BGEDMO CC1(C)CC[C@H]([NH2+]CCC#N)c2ccccc21 ZINC000026513324 343276989 /nfs/dbraw/zinc/27/69/89/343276989.db2.gz YNWNYTMEFIWMAS-AWEZNQCLSA-N 1 1 228.339 3.302 20 30 BGEDMO C=CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000026837420 166355434 /nfs/dbraw/zinc/35/54/34/166355434.db2.gz HPPKSQALBVNBHA-CQSZACIVSA-N 1 1 201.313 3.052 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1ccc(F)cc1 ZINC000027903217 368978493 /nfs/dbraw/zinc/97/84/93/368978493.db2.gz RHNIKMTXAUBFTK-UHFFFAOYSA-N 1 1 207.292 3.224 20 30 BGEDMO C=CC[N@H+](C)Cc1cccc2ccccc21 ZINC000028247215 166322275 /nfs/dbraw/zinc/32/22/75/166322275.db2.gz JOSZDNQQIODTBC-UHFFFAOYSA-N 1 1 211.308 3.458 20 30 BGEDMO CC[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000031945959 372127169 /nfs/dbraw/zinc/12/71/69/372127169.db2.gz WILJXDRZYSKSLG-OAHLLOKOSA-N 1 1 228.339 3.323 20 30 BGEDMO CC[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000031945960 372126880 /nfs/dbraw/zinc/12/68/80/372126880.db2.gz WILJXDRZYSKSLG-HNNXBMFYSA-N 1 1 228.339 3.323 20 30 BGEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000031945972 372126839 /nfs/dbraw/zinc/12/68/39/372126839.db2.gz ZZYIJRQWMAOWRT-OAHLLOKOSA-N 1 1 228.339 3.323 20 30 BGEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000031945973 372126894 /nfs/dbraw/zinc/12/68/94/372126894.db2.gz ZZYIJRQWMAOWRT-HNNXBMFYSA-N 1 1 228.339 3.323 20 30 BGEDMO N#CCCNc1ccc([NH+]2CCCCC2)cc1 ZINC000032021551 132335156 /nfs/dbraw/zinc/33/51/56/132335156.db2.gz JQENDUXLGGQQSH-UHFFFAOYSA-N 1 1 229.327 3.002 20 30 BGEDMO N#CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000033465290 181032557 /nfs/dbraw/zinc/03/25/57/181032557.db2.gz ZYHRDJBQXKHNKZ-UHFFFAOYSA-N 1 1 234.730 3.076 20 30 BGEDMO N#CC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000033465291 181032522 /nfs/dbraw/zinc/03/25/22/181032522.db2.gz CAMRNQOUEHEIEP-UHFFFAOYSA-N 1 1 234.730 3.076 20 30 BGEDMO N#CC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000033465292 181032994 /nfs/dbraw/zinc/03/29/94/181032994.db2.gz DMVKPKAAXXQNKU-UHFFFAOYSA-N 1 1 234.730 3.076 20 30 BGEDMO C#CC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000033755683 642345899 /nfs/dbraw/zinc/34/58/99/642345899.db2.gz LTUKIBYXZOVXHA-UHFFFAOYSA-N 1 1 233.314 3.302 20 30 BGEDMO C=CC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000034153838 355803427 /nfs/dbraw/zinc/80/34/27/355803427.db2.gz WIUMORAUTKAVSV-UHFFFAOYSA-N 1 1 227.307 3.468 20 30 BGEDMO C=CC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000034153838 355803425 /nfs/dbraw/zinc/80/34/25/355803425.db2.gz WIUMORAUTKAVSV-UHFFFAOYSA-N 1 1 227.307 3.468 20 30 BGEDMO CC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000034543844 356702518 /nfs/dbraw/zinc/70/25/18/356702518.db2.gz GUOCFMKXTGERLC-MRXNPFEDSA-N 1 1 227.351 3.303 20 30 BGEDMO CC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000034543846 356702489 /nfs/dbraw/zinc/70/24/89/356702489.db2.gz GUOCFMKXTGERLC-INIZCTEOSA-N 1 1 227.351 3.303 20 30 BGEDMO C(#Cc1ccccc1)C[N@H+]1CCc2ccccc2C1 ZINC000034555928 386439168 /nfs/dbraw/zinc/43/91/68/386439168.db2.gz VFZWWZUJPAZOFG-UHFFFAOYSA-N 1 1 247.341 3.096 20 30 BGEDMO C[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)[C@H]1C ZINC000034606143 355909168 /nfs/dbraw/zinc/90/91/68/355909168.db2.gz YBVPKXXAECZVRA-CABCVRRESA-N 1 1 227.351 3.159 20 30 BGEDMO C[C@@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC000034607589 386457755 /nfs/dbraw/zinc/45/77/55/386457755.db2.gz WTVHRNCZBRUURT-CABCVRRESA-N 1 1 227.351 3.159 20 30 BGEDMO CCCC[N@@H+](CC)CCOc1ccc(C#N)cc1 ZINC000034652552 411311380 /nfs/dbraw/zinc/31/13/80/411311380.db2.gz XXFWDULPVFBKMB-UHFFFAOYSA-N 1 1 246.354 3.059 20 30 BGEDMO CCCC[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000034674043 535218838 /nfs/dbraw/zinc/21/88/38/535218838.db2.gz GDCWKVXRGZRFHT-UHFFFAOYSA-N 1 1 246.354 3.059 20 30 BGEDMO CCCC[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000034674045 711763288 /nfs/dbraw/zinc/76/32/88/711763288.db2.gz WUGHYDHGCYGBIA-UHFFFAOYSA-N 1 1 246.354 3.059 20 30 BGEDMO CCCC[N@@H+](CC)CCOc1cccc(C#N)c1 ZINC000034674060 386093538 /nfs/dbraw/zinc/09/35/38/386093538.db2.gz QICHSZNJHCAEIY-UHFFFAOYSA-N 1 1 246.354 3.059 20 30 BGEDMO CCCC[N@@H+](CC)CCOc1ccccc1C#N ZINC000034674061 386093093 /nfs/dbraw/zinc/09/30/93/386093093.db2.gz DMXYBWTTXBAAJU-UHFFFAOYSA-N 1 1 246.354 3.059 20 30 BGEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)C(C)C ZINC000034674487 535724171 /nfs/dbraw/zinc/72/41/71/535724171.db2.gz HFPSCFGXWLFTKQ-UHFFFAOYSA-N 1 1 246.354 3.057 20 30 BGEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)C(C)C ZINC000034674489 635655673 /nfs/dbraw/zinc/65/56/73/635655673.db2.gz CDJZQRNROUDANE-UHFFFAOYSA-N 1 1 246.354 3.057 20 30 BGEDMO CCC[N@@H+](CC)CCCOc1cccc(C#N)c1 ZINC000034674537 535297616 /nfs/dbraw/zinc/29/76/16/535297616.db2.gz WTNRKGUZQAWFRA-UHFFFAOYSA-N 1 1 246.354 3.059 20 30 BGEDMO CCC[N@@H+](CC)CCCOc1ccc(C#N)cc1 ZINC000034674539 635657515 /nfs/dbraw/zinc/65/75/15/635657515.db2.gz ALYHWMMMKCUWQM-UHFFFAOYSA-N 1 1 246.354 3.059 20 30 BGEDMO CCC[N@@H+](CCOc1cccc(C#N)c1)C(C)C ZINC000034674549 350740120 /nfs/dbraw/zinc/74/01/20/350740120.db2.gz ZHFJQQUDYCECNE-UHFFFAOYSA-N 1 1 246.354 3.057 20 30 BGEDMO CCC[N@@H+](CCOc1ccccc1C#N)C(C)C ZINC000034674550 350739857 /nfs/dbraw/zinc/73/98/57/350739857.db2.gz NCFFYEDISVTTTM-UHFFFAOYSA-N 1 1 246.354 3.057 20 30 BGEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1)C(C)C ZINC000034674551 386293262 /nfs/dbraw/zinc/29/32/62/386293262.db2.gz YVMIREHMXURBFW-UHFFFAOYSA-N 1 1 246.354 3.057 20 30 BGEDMO CC[C@@H](C)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000034674627 136330796 /nfs/dbraw/zinc/33/07/96/136330796.db2.gz HLBLHPBDUBUPKO-CYBMUJFWSA-N 1 1 246.354 3.057 20 30 BGEDMO CC[C@H](C)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000034674628 136330427 /nfs/dbraw/zinc/33/04/27/136330427.db2.gz HLBLHPBDUBUPKO-ZDUSSCGKSA-N 1 1 246.354 3.057 20 30 BGEDMO CC[C@@H](C)[N@@H+](CC)CCOc1cccc(C#N)c1 ZINC000034674658 350741669 /nfs/dbraw/zinc/74/16/69/350741669.db2.gz BMGLCKMWWPCARV-CYBMUJFWSA-N 1 1 246.354 3.057 20 30 BGEDMO CC[C@H](C)[N@@H+](CC)CCOc1cccc(C#N)c1 ZINC000034674659 350742089 /nfs/dbraw/zinc/74/20/89/350742089.db2.gz BMGLCKMWWPCARV-ZDUSSCGKSA-N 1 1 246.354 3.057 20 30 BGEDMO CC[C@@H](C)[N@@H+](CC)CCOc1ccccc1C#N ZINC000034674660 350742698 /nfs/dbraw/zinc/74/26/98/350742698.db2.gz YAIUTUACOFWGFC-CYBMUJFWSA-N 1 1 246.354 3.057 20 30 BGEDMO CC[C@H](C)[N@@H+](CC)CCOc1ccccc1C#N ZINC000034674661 350742943 /nfs/dbraw/zinc/74/29/43/350742943.db2.gz YAIUTUACOFWGFC-ZDUSSCGKSA-N 1 1 246.354 3.057 20 30 BGEDMO CC[C@@H](C)[N@@H+](CC)CCOc1ccc(C#N)cc1 ZINC000034674662 350743060 /nfs/dbraw/zinc/74/30/60/350743060.db2.gz FYEGFAUZDGNKOS-CYBMUJFWSA-N 1 1 246.354 3.057 20 30 BGEDMO CC[C@H](C)[N@@H+](CC)CCOc1ccc(C#N)cc1 ZINC000034674663 350742770 /nfs/dbraw/zinc/74/27/70/350742770.db2.gz FYEGFAUZDGNKOS-ZDUSSCGKSA-N 1 1 246.354 3.057 20 30 BGEDMO N#CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000034990533 358452231 /nfs/dbraw/zinc/45/22/31/358452231.db2.gz CLWIZVFVUSCJKA-CYBMUJFWSA-N 1 1 234.730 3.294 20 30 BGEDMO N#CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000034990535 358452136 /nfs/dbraw/zinc/45/21/36/358452136.db2.gz CLWIZVFVUSCJKA-ZDUSSCGKSA-N 1 1 234.730 3.294 20 30 BGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccco1 ZINC000034990727 358452269 /nfs/dbraw/zinc/45/22/69/358452269.db2.gz JEXRYODUVCYDQU-UHFFFAOYSA-N 1 1 243.306 3.134 20 30 BGEDMO N#CCC[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000035009905 358452254 /nfs/dbraw/zinc/45/22/54/358452254.db2.gz CDAIPHHBSBCPCJ-UHFFFAOYSA-N 1 1 242.347 3.418 20 30 BGEDMO C#CC[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000035045830 645889627 /nfs/dbraw/zinc/88/96/27/645889627.db2.gz CLECVQKFJHCUNU-ZETCQYMHSA-N 1 1 246.112 3.416 20 30 BGEDMO C#CC[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000035045831 645888581 /nfs/dbraw/zinc/88/85/81/645888581.db2.gz CLECVQKFJHCUNU-SSDOTTSWSA-N 1 1 246.112 3.416 20 30 BGEDMO 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CC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000035238538 356422781 /nfs/dbraw/zinc/42/27/81/356422781.db2.gz HITFBDCXQUQZBP-LBPRGKRZSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000035238543 356422831 /nfs/dbraw/zinc/42/28/31/356422831.db2.gz UIXUNHLMGBOHFY-CYBMUJFWSA-N 1 1 228.339 3.180 20 30 BGEDMO CC[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000035238545 356422842 /nfs/dbraw/zinc/42/28/42/356422842.db2.gz UIXUNHLMGBOHFY-ZDUSSCGKSA-N 1 1 228.339 3.180 20 30 BGEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000035238546 356422948 /nfs/dbraw/zinc/42/29/48/356422948.db2.gz BOPZFIQRFXAKIE-CYBMUJFWSA-N 1 1 228.339 3.180 20 30 BGEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000035238548 356423041 /nfs/dbraw/zinc/42/30/41/356423041.db2.gz BOPZFIQRFXAKIE-ZDUSSCGKSA-N 1 1 228.339 3.180 20 30 BGEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC000035238561 167369099 /nfs/dbraw/zinc/36/90/99/167369099.db2.gz UPFIUACYKRHBQW-GFCCVEGCSA-N 1 1 216.328 3.035 20 30 BGEDMO 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BGEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000035238582 167367410 /nfs/dbraw/zinc/36/74/10/167367410.db2.gz ZFSDJCBHCJSBFI-GFCCVEGCSA-N 1 1 216.328 3.035 20 30 BGEDMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000035238584 356422812 /nfs/dbraw/zinc/42/28/12/356422812.db2.gz ZFSDJCBHCJSBFI-LBPRGKRZSA-N 1 1 216.328 3.035 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC000035238595 169365759 /nfs/dbraw/zinc/36/57/59/169365759.db2.gz VUNDXQYWUXIXGF-GFCCVEGCSA-N 1 1 216.328 3.179 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000035238597 387512971 /nfs/dbraw/zinc/51/29/71/387512971.db2.gz VSZLOJAKRGIAIL-CYBMUJFWSA-N 1 1 246.354 3.057 20 30 BGEDMO CCC[C@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000035238599 387513633 /nfs/dbraw/zinc/51/36/33/387513633.db2.gz VSZLOJAKRGIAIL-ZDUSSCGKSA-N 1 1 246.354 3.057 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000035238604 169365391 /nfs/dbraw/zinc/36/53/91/169365391.db2.gz XHKMMIRLTADRHB-LLVKDONJSA-N 1 1 234.318 3.318 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000035238607 169364875 /nfs/dbraw/zinc/36/48/75/169364875.db2.gz QHDSLPIGBSYKHB-LLVKDONJSA-N 1 1 234.318 3.318 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000035238613 169364715 /nfs/dbraw/zinc/36/47/15/169364715.db2.gz OKOCHXPZFPPONZ-GFCCVEGCSA-N 1 1 216.328 3.179 20 30 BGEDMO CCC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000035238615 383844776 /nfs/dbraw/zinc/84/47/76/383844776.db2.gz OKOCHXPZFPPONZ-LBPRGKRZSA-N 1 1 216.328 3.179 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000035238617 169364630 /nfs/dbraw/zinc/36/46/30/169364630.db2.gz HKZJCAXBYMPTFW-GFCCVEGCSA-N 1 1 216.328 3.179 20 30 BGEDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000035238619 387513156 /nfs/dbraw/zinc/51/31/56/387513156.db2.gz HKZJCAXBYMPTFW-LBPRGKRZSA-N 1 1 216.328 3.179 20 30 BGEDMO C=CC[N@H+](Cc1cccn1C)Cc1ccccc1 ZINC000035499788 358458003 /nfs/dbraw/zinc/45/80/03/358458003.db2.gz NNAWMOAMFMAEOT-UHFFFAOYSA-N 1 1 240.350 3.213 20 30 BGEDMO 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C[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000036407230 368266350 /nfs/dbraw/zinc/26/63/50/368266350.db2.gz JKPCARVAZAJKSG-CYBMUJFWSA-N 1 1 247.769 3.423 20 30 BGEDMO C[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000036407230 368266343 /nfs/dbraw/zinc/26/63/43/368266343.db2.gz JKPCARVAZAJKSG-CYBMUJFWSA-N 1 1 247.769 3.423 20 30 BGEDMO C[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000036407231 368267023 /nfs/dbraw/zinc/26/70/23/368267023.db2.gz JKPCARVAZAJKSG-ZDUSSCGKSA-N 1 1 247.769 3.423 20 30 BGEDMO C[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000036407231 368267020 /nfs/dbraw/zinc/26/70/20/368267020.db2.gz JKPCARVAZAJKSG-ZDUSSCGKSA-N 1 1 247.769 3.423 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000036790532 388279293 /nfs/dbraw/zinc/27/92/93/388279293.db2.gz NGEORQOEULAVFF-CYBMUJFWSA-N 1 1 246.354 3.057 20 30 BGEDMO CCC[C@H](C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000036790533 388279216 /nfs/dbraw/zinc/27/92/16/388279216.db2.gz NGEORQOEULAVFF-ZDUSSCGKSA-N 1 1 246.354 3.057 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)CCOc1ccccc1C#N ZINC000036790537 169365687 /nfs/dbraw/zinc/36/56/87/169365687.db2.gz GZVCIGLRGISGKF-CYBMUJFWSA-N 1 1 246.354 3.057 20 30 BGEDMO CCC[C@H](C)[N@@H+](C)CCOc1ccccc1C#N ZINC000036790538 388279099 /nfs/dbraw/zinc/27/90/99/388279099.db2.gz GZVCIGLRGISGKF-ZDUSSCGKSA-N 1 1 246.354 3.057 20 30 BGEDMO CC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000037022536 361592982 /nfs/dbraw/zinc/59/29/82/361592982.db2.gz LTJDTCRPXOIEQQ-CQSZACIVSA-N 1 1 246.329 3.462 20 30 BGEDMO CC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000037022537 361593678 /nfs/dbraw/zinc/59/36/78/361593678.db2.gz LTJDTCRPXOIEQQ-AWEZNQCLSA-N 1 1 246.329 3.462 20 30 BGEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000037022538 361593733 /nfs/dbraw/zinc/59/37/33/361593733.db2.gz XFWMTINANMDLFQ-CQSZACIVSA-N 1 1 246.329 3.462 20 30 BGEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000037022539 361593707 /nfs/dbraw/zinc/59/37/07/361593707.db2.gz XFWMTINANMDLFQ-AWEZNQCLSA-N 1 1 246.329 3.462 20 30 BGEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C1CCCC1 ZINC000037022541 388085021 /nfs/dbraw/zinc/08/50/21/388085021.db2.gz IHUDPDAKPQIESZ-UHFFFAOYSA-N 1 1 232.302 3.072 20 30 BGEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C1CCCC1 ZINC000037022542 388085043 /nfs/dbraw/zinc/08/50/43/388085043.db2.gz SJVNJXVPHMSUHG-UHFFFAOYSA-N 1 1 232.302 3.072 20 30 BGEDMO CCC[N@@H+](Cc1cccc(C#N)c1)C(C)C ZINC000037096141 361661829 /nfs/dbraw/zinc/66/18/29/361661829.db2.gz VLUUWCWKQLOUSX-UHFFFAOYSA-N 1 1 216.328 3.179 20 30 BGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000037096159 169175691 /nfs/dbraw/zinc/17/56/91/169175691.db2.gz LZZPMYIZJGDUOY-UHFFFAOYSA-N 1 1 216.328 3.179 20 30 BGEDMO CCC[N@@H+](Cc1cc(C#N)ccc1F)C(C)C ZINC000037096160 361661739 /nfs/dbraw/zinc/66/17/39/361661739.db2.gz WOEPJNZIVGUUSY-UHFFFAOYSA-N 1 1 234.318 3.318 20 30 BGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1F)C(C)C ZINC000037096161 361661378 /nfs/dbraw/zinc/66/13/78/361661378.db2.gz SEQXLVQSOHUWCX-UHFFFAOYSA-N 1 1 234.318 3.318 20 30 BGEDMO CCC[N@@H+](Cc1ccccc1C#N)C(C)C ZINC000037096162 361661303 /nfs/dbraw/zinc/66/13/03/361661303.db2.gz QFYRAHQTNWZJDC-UHFFFAOYSA-N 1 1 216.328 3.179 20 30 BGEDMO CCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC000037097302 169173423 /nfs/dbraw/zinc/17/34/23/169173423.db2.gz NNJDIPFSDMROFW-UHFFFAOYSA-N 1 1 232.302 3.072 20 30 BGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC000037097303 169175775 /nfs/dbraw/zinc/17/57/75/169175775.db2.gz FPVUPULLTVXVNL-UHFFFAOYSA-N 1 1 232.302 3.072 20 30 BGEDMO CC[N@H+](Cc1cccc(C#N)c1)CC(C)C ZINC000037111571 361677001 /nfs/dbraw/zinc/67/70/01/361677001.db2.gz XQCSAPXRXWQKQO-UHFFFAOYSA-N 1 1 216.328 3.036 20 30 BGEDMO CC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000037111587 361677415 /nfs/dbraw/zinc/67/74/15/361677415.db2.gz KVIUUQONGIUQIS-UHFFFAOYSA-N 1 1 216.328 3.036 20 30 BGEDMO CC[C@@H](C)[N@@H+](CC)Cc1cccc(C#N)c1 ZINC000037113059 348021193 /nfs/dbraw/zinc/02/11/93/348021193.db2.gz ROGLUHOEVYHNMF-GFCCVEGCSA-N 1 1 216.328 3.179 20 30 BGEDMO CC[C@H](C)[N@@H+](CC)Cc1cccc(C#N)c1 ZINC000037113060 171312440 /nfs/dbraw/zinc/31/24/40/171312440.db2.gz ROGLUHOEVYHNMF-LBPRGKRZSA-N 1 1 216.328 3.179 20 30 BGEDMO CC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1 ZINC000037113089 361677616 /nfs/dbraw/zinc/67/76/16/361677616.db2.gz VCKFVJOHVWZOMQ-GFCCVEGCSA-N 1 1 216.328 3.179 20 30 BGEDMO CC[C@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1 ZINC000037113090 361677040 /nfs/dbraw/zinc/67/70/40/361677040.db2.gz VCKFVJOHVWZOMQ-LBPRGKRZSA-N 1 1 216.328 3.179 20 30 BGEDMO CC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1F ZINC000037113093 361678039 /nfs/dbraw/zinc/67/80/39/361678039.db2.gz VVMQPRKRMKKVMG-LLVKDONJSA-N 1 1 234.318 3.318 20 30 BGEDMO CC[C@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1F ZINC000037113094 361678445 /nfs/dbraw/zinc/67/84/45/361678445.db2.gz VVMQPRKRMKKVMG-NSHDSACASA-N 1 1 234.318 3.318 20 30 BGEDMO Cc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000037146712 348024008 /nfs/dbraw/zinc/02/40/08/348024008.db2.gz KTVIPLYMZLIBHD-HUUCEWRRSA-N 1 1 228.339 3.119 20 30 BGEDMO Cc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000037146713 348023559 /nfs/dbraw/zinc/02/35/59/348023559.db2.gz KTVIPLYMZLIBHD-CABCVRRESA-N 1 1 228.339 3.119 20 30 BGEDMO CCCCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000037171622 358468580 /nfs/dbraw/zinc/46/85/80/358468580.db2.gz RDOZYLQSMRDNHV-UHFFFAOYSA-N 1 1 216.328 3.180 20 30 BGEDMO CCCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000037171638 361719109 /nfs/dbraw/zinc/71/91/09/361719109.db2.gz DMMCLEKYAQAHKD-UHFFFAOYSA-N 1 1 216.328 3.180 20 30 BGEDMO CC[C@@H](C)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000037173158 361719528 /nfs/dbraw/zinc/71/95/28/361719528.db2.gz IAOLFWWZDHUYRG-GFCCVEGCSA-N 1 1 216.328 3.036 20 30 BGEDMO CC[C@H](C)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000037173159 171275146 /nfs/dbraw/zinc/27/51/46/171275146.db2.gz IAOLFWWZDHUYRG-LBPRGKRZSA-N 1 1 216.328 3.036 20 30 BGEDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000037173186 361715793 /nfs/dbraw/zinc/71/57/93/361715793.db2.gz IZJNGBNMFCOFEK-GFCCVEGCSA-N 1 1 216.328 3.036 20 30 BGEDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000037173187 171274367 /nfs/dbraw/zinc/27/43/67/171274367.db2.gz IZJNGBNMFCOFEK-LBPRGKRZSA-N 1 1 216.328 3.036 20 30 BGEDMO CC[C@@H](C)C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000037173188 361715834 /nfs/dbraw/zinc/71/58/34/361715834.db2.gz HCYVFEYIBRIEMB-LLVKDONJSA-N 1 1 234.318 3.175 20 30 BGEDMO CC[C@H](C)C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000037173189 171274273 /nfs/dbraw/zinc/27/42/73/171274273.db2.gz HCYVFEYIBRIEMB-NSHDSACASA-N 1 1 234.318 3.175 20 30 BGEDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000037173190 361715688 /nfs/dbraw/zinc/71/56/88/361715688.db2.gz FBCDORVPVVYYAL-LLVKDONJSA-N 1 1 234.318 3.175 20 30 BGEDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000037173191 171273872 /nfs/dbraw/zinc/27/38/72/171273872.db2.gz FBCDORVPVVYYAL-NSHDSACASA-N 1 1 234.318 3.175 20 30 BGEDMO CC[C@@H](C)C[N@@H+](C)Cc1ccccc1C#N ZINC000037173192 346676889 /nfs/dbraw/zinc/67/68/89/346676889.db2.gz BMTHZLUIFZXISB-GFCCVEGCSA-N 1 1 216.328 3.036 20 30 BGEDMO CC[C@H](C)C[N@@H+](C)Cc1ccccc1C#N ZINC000037173193 171274342 /nfs/dbraw/zinc/27/43/42/171274342.db2.gz BMTHZLUIFZXISB-LBPRGKRZSA-N 1 1 216.328 3.036 20 30 BGEDMO C=C(Cl)C[NH2+]Cc1ccccc1Cl ZINC000037488744 711467103 /nfs/dbraw/zinc/46/71/03/711467103.db2.gz ZHTYTFYKTBNOLN-UHFFFAOYSA-N 1 1 216.111 3.182 20 30 BGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000037489006 364067562 /nfs/dbraw/zinc/06/75/62/364067562.db2.gz IRZWHWTVBLUDFN-UHFFFAOYSA-N 1 1 246.697 3.094 20 30 BGEDMO N#Cc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000037489010 181137939 /nfs/dbraw/zinc/13/79/39/181137939.db2.gz UBSIEZRTOLPDND-UHFFFAOYSA-N 1 1 246.697 3.094 20 30 BGEDMO N#Cc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000037756994 384528763 /nfs/dbraw/zinc/52/87/63/384528763.db2.gz LROZOPTYTDEJNY-UHFFFAOYSA-N 1 1 248.289 3.047 20 30 BGEDMO N#Cc1cccc(CNc2[nH]c3ccccc3[nH+]2)c1 ZINC000037756995 190982344 /nfs/dbraw/zinc/98/23/44/190982344.db2.gz BRWPCJVHJIMFQF-UHFFFAOYSA-N 1 1 248.289 3.047 20 30 BGEDMO C[C@@H](CC#N)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000037871163 343358808 /nfs/dbraw/zinc/35/88/08/343358808.db2.gz SYOFGBHVWXCBJJ-VIFPVBQESA-N 1 1 242.244 3.097 20 30 BGEDMO C[C@H](CC#N)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000037871164 371044571 /nfs/dbraw/zinc/04/45/71/371044571.db2.gz SYOFGBHVWXCBJJ-SECBINFHSA-N 1 1 242.244 3.097 20 30 BGEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000037913736 360023958 /nfs/dbraw/zinc/02/39/58/360023958.db2.gz IPMPFBDFDLAQES-CYBMUJFWSA-N 1 1 232.302 3.072 20 30 BGEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000037913737 360024200 /nfs/dbraw/zinc/02/42/00/360024200.db2.gz IPMPFBDFDLAQES-ZDUSSCGKSA-N 1 1 232.302 3.072 20 30 BGEDMO CC[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000037913738 360020546 /nfs/dbraw/zinc/02/05/46/360020546.db2.gz XCGXWLOKUMFLHE-CYBMUJFWSA-N 1 1 232.302 3.072 20 30 BGEDMO CC[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000037913739 351260570 /nfs/dbraw/zinc/26/05/70/351260570.db2.gz XCGXWLOKUMFLHE-ZDUSSCGKSA-N 1 1 232.302 3.072 20 30 BGEDMO N#CCC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000038030763 711474002 /nfs/dbraw/zinc/47/40/02/711474002.db2.gz PGXHIBAHIKDCTR-UHFFFAOYSA-N 1 1 242.347 3.418 20 30 BGEDMO C[C@@H](CC#N)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000038092383 344699715 /nfs/dbraw/zinc/69/97/15/344699715.db2.gz ZYARLACBDJARAV-UWVGGRQHSA-N 1 1 222.719 3.293 20 30 BGEDMO C[C@H](CC#N)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000038092384 344699915 /nfs/dbraw/zinc/69/99/15/344699915.db2.gz ZYARLACBDJARAV-ZJUUUORDSA-N 1 1 222.719 3.293 20 30 BGEDMO C[C@@H]([NH2+][C@@H](C)CC#N)c1cccc(Cl)c1 ZINC000038092385 344699815 /nfs/dbraw/zinc/69/98/15/344699815.db2.gz ZYARLACBDJARAV-VHSXEESVSA-N 1 1 222.719 3.293 20 30 BGEDMO C[C@H](CC#N)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000038092386 344700500 /nfs/dbraw/zinc/70/05/00/344700500.db2.gz ZYARLACBDJARAV-NXEZZACHSA-N 1 1 222.719 3.293 20 30 BGEDMO C[C@@H]1C[C@H](C)C[N@H+](CC#Cc2ccccc2)C1 ZINC000038273359 323388273 /nfs/dbraw/zinc/38/82/73/323388273.db2.gz YZLUKUUGHWGKDA-GASCZTMLSA-N 1 1 227.351 3.016 20 30 BGEDMO C#CC[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC000038293877 712848535 /nfs/dbraw/zinc/84/85/35/712848535.db2.gz YVDOZMKVILHXSI-UHFFFAOYSA-N 1 1 227.351 3.455 20 30 BGEDMO C=CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000038812274 343139436 /nfs/dbraw/zinc/13/94/36/343139436.db2.gz HPPKSQALBVNBHA-AWEZNQCLSA-N 1 1 201.313 3.052 20 30 BGEDMO CC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000039102693 385013423 /nfs/dbraw/zinc/01/34/23/385013423.db2.gz SRVAAGIWKJNZII-OAHLLOKOSA-N 1 1 227.351 3.160 20 30 BGEDMO CC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000039102694 385013015 /nfs/dbraw/zinc/01/30/15/385013015.db2.gz SRVAAGIWKJNZII-HNNXBMFYSA-N 1 1 227.351 3.160 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1sc(C)nc1C ZINC000040518668 490313192 /nfs/dbraw/zinc/31/31/92/490313192.db2.gz HXKRBZZHKNLKEP-SSDOTTSWSA-N 1 1 230.764 3.163 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040518669 188132508 /nfs/dbraw/zinc/13/25/08/188132508.db2.gz HXKRBZZHKNLKEP-ZETCQYMHSA-N 1 1 230.764 3.163 20 30 BGEDMO C[C@@H](C1CC1)[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000042123239 175633564 /nfs/dbraw/zinc/63/35/64/175633564.db2.gz MJEGRROAIUVVKP-LBPRGKRZSA-N 1 1 240.350 3.321 20 30 BGEDMO C[C@H](C1CC1)[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000042123240 358518443 /nfs/dbraw/zinc/51/84/43/358518443.db2.gz MJEGRROAIUVVKP-GFCCVEGCSA-N 1 1 240.350 3.321 20 30 BGEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC000042123273 374250088 /nfs/dbraw/zinc/25/00/88/374250088.db2.gz ZOPUUSCOMFYZLV-LBPRGKRZSA-N 1 1 240.350 3.321 20 30 BGEDMO C[C@H](C1CC1)[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC000042123274 374250493 /nfs/dbraw/zinc/25/04/93/374250493.db2.gz ZOPUUSCOMFYZLV-GFCCVEGCSA-N 1 1 240.350 3.321 20 30 BGEDMO CC[N@@H+](CCCCC#N)C1CCCCC1 ZINC000042222222 344447055 /nfs/dbraw/zinc/44/70/55/344447055.db2.gz KSVPGBHYEBREQG-UHFFFAOYSA-N 1 1 208.349 3.335 20 30 BGEDMO CC[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000042222435 384208203 /nfs/dbraw/zinc/20/82/03/384208203.db2.gz UHSTWDOCWMDHAV-UHFFFAOYSA-N 1 1 216.328 3.202 20 30 BGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CC1CC1 ZINC000042223082 169176236 /nfs/dbraw/zinc/17/62/36/169176236.db2.gz HXAYIVBWAJBLSQ-UHFFFAOYSA-N 1 1 228.339 3.180 20 30 BGEDMO CCC[N@H+](Cc1ccccc1C#N)CC1CC1 ZINC000042223087 169177876 /nfs/dbraw/zinc/17/78/76/169177876.db2.gz VUDMRURCWJADLW-UHFFFAOYSA-N 1 1 228.339 3.180 20 30 BGEDMO CCC[N@H+](Cc1cccc(C#N)c1)CC1CC1 ZINC000042223107 169174713 /nfs/dbraw/zinc/17/47/13/169174713.db2.gz AYPNWZMBIOKQDZ-UHFFFAOYSA-N 1 1 228.339 3.180 20 30 BGEDMO C[N@@H+](CCCC#N)Cc1ccc(Cl)s1 ZINC000042223588 344447689 /nfs/dbraw/zinc/44/76/89/344447689.db2.gz PZSBXQICVLJZBU-UHFFFAOYSA-N 1 1 228.748 3.137 20 30 BGEDMO Cc1ccccc1C[N@@H+](C)CCCCC#N ZINC000042223688 179268649 /nfs/dbraw/zinc/26/86/49/179268649.db2.gz BBWVHHJUEZLXRE-UHFFFAOYSA-N 1 1 216.328 3.121 20 30 BGEDMO C[N@@H+](CCCC#N)Cc1cccc(Cl)c1 ZINC000042224086 344448011 /nfs/dbraw/zinc/44/80/11/344448011.db2.gz PPDXZGTZQZCQBR-UHFFFAOYSA-N 1 1 222.719 3.076 20 30 BGEDMO C[N@@H+](CCCCC#N)Cc1ccc(Cl)cc1 ZINC000042224162 487691694 /nfs/dbraw/zinc/69/16/94/487691694.db2.gz DMPAKVIEKMRXIM-UHFFFAOYSA-N 1 1 236.746 3.466 20 30 BGEDMO C[N@@H+](CCCCC#N)Cc1ccccc1Cl ZINC000042224164 342995493 /nfs/dbraw/zinc/99/54/93/342995493.db2.gz DDDJIQGAJGXZAI-UHFFFAOYSA-N 1 1 236.746 3.466 20 30 BGEDMO C[N@@H+](CCCCC#N)Cc1cccc(Cl)c1 ZINC000042224169 487691420 /nfs/dbraw/zinc/69/14/20/487691420.db2.gz NEHXWQVSLPBZBH-UHFFFAOYSA-N 1 1 236.746 3.466 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccccc1F ZINC000042224787 135219441 /nfs/dbraw/zinc/21/94/41/135219441.db2.gz YJSODCCXCWSOTM-VIFPVBQESA-N 1 1 213.683 3.229 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccccc1F ZINC000042224789 135219505 /nfs/dbraw/zinc/21/95/05/135219505.db2.gz YJSODCCXCWSOTM-SECBINFHSA-N 1 1 213.683 3.229 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000042224791 135219891 /nfs/dbraw/zinc/21/98/91/135219891.db2.gz QPXWOGGTNKNFTQ-VIFPVBQESA-N 1 1 213.683 3.229 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000042224792 135219895 /nfs/dbraw/zinc/21/98/95/135219895.db2.gz QPXWOGGTNKNFTQ-SECBINFHSA-N 1 1 213.683 3.229 20 30 BGEDMO CC[N@@H+](CCCCC#N)Cc1cccs1 ZINC000042225539 384636046 /nfs/dbraw/zinc/63/60/46/384636046.db2.gz QGRZAHXMGMNSKI-UHFFFAOYSA-N 1 1 222.357 3.264 20 30 BGEDMO CC1CCC([N@@H+](C)CCCCC#N)CC1 ZINC000042225898 168158768 /nfs/dbraw/zinc/15/87/68/168158768.db2.gz XRZSIAITKONLSM-UHFFFAOYSA-N 1 1 208.349 3.191 20 30 BGEDMO CCC[N@H+](Cc1cc(C#N)ccc1F)CC1CC1 ZINC000042238740 169172782 /nfs/dbraw/zinc/17/27/82/169172782.db2.gz QNKCRPWLWKIBCY-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO CCC[N@H+](Cc1ccc(C#N)cc1F)CC1CC1 ZINC000042238741 169175464 /nfs/dbraw/zinc/17/54/64/169175464.db2.gz YBXYLBSUTUKGFS-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO CCCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000042240493 269645260 /nfs/dbraw/zinc/64/52/60/269645260.db2.gz KCPGNWKRPVQNJM-UHFFFAOYSA-N 1 1 228.339 3.323 20 30 BGEDMO CCCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC000042240494 388274829 /nfs/dbraw/zinc/27/48/29/388274829.db2.gz POBVPZFZNMJZGQ-UHFFFAOYSA-N 1 1 228.339 3.323 20 30 BGEDMO CCCC[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000042240495 388274789 /nfs/dbraw/zinc/27/47/89/388274789.db2.gz AGCAYNLJYPENTD-UHFFFAOYSA-N 1 1 228.339 3.323 20 30 BGEDMO CCCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC000042240500 388275202 /nfs/dbraw/zinc/27/52/02/388275202.db2.gz ILCXHHVXQZPHPT-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO CCCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC000042240501 388275072 /nfs/dbraw/zinc/27/50/72/388275072.db2.gz MEMGJKWQSMFHBD-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO CC(C)[N@@H+](CCC#N)Cc1cccc(Cl)c1 ZINC000042247765 343432873 /nfs/dbraw/zinc/43/28/73/343432873.db2.gz TZFSPEOXHLPDLG-UHFFFAOYSA-N 1 1 236.746 3.464 20 30 BGEDMO CC(C)[N@H+](CCC#N)Cc1cccc(Cl)c1 ZINC000042247765 343432872 /nfs/dbraw/zinc/43/28/72/343432872.db2.gz TZFSPEOXHLPDLG-UHFFFAOYSA-N 1 1 236.746 3.464 20 30 BGEDMO CC(C)CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000042249343 388274774 /nfs/dbraw/zinc/27/47/74/388274774.db2.gz LXVQBEOXLHPHNM-UHFFFAOYSA-N 1 1 216.328 3.036 20 30 BGEDMO CC(C)CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000042249351 388275177 /nfs/dbraw/zinc/27/51/77/388275177.db2.gz HXGGVHQFPYULPB-UHFFFAOYSA-N 1 1 216.328 3.036 20 30 BGEDMO CC(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000042250746 398331087 /nfs/dbraw/zinc/33/10/87/398331087.db2.gz BGKMFHVJAPMZLO-UHFFFAOYSA-N 1 1 234.318 3.175 20 30 BGEDMO CC(C)[N@H+](Cc1ccccc1C#N)CC1CC1 ZINC000042253422 187265873 /nfs/dbraw/zinc/26/58/73/187265873.db2.gz OYJIBFRMGGZCCM-UHFFFAOYSA-N 1 1 228.339 3.179 20 30 BGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1F)CC1CC1 ZINC000042253475 398331011 /nfs/dbraw/zinc/33/10/11/398331011.db2.gz PYZQAZYQZDOLAB-UHFFFAOYSA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)[N@H+](Cc1cc(C#N)ccc1F)CC1CC1 ZINC000042253479 374259064 /nfs/dbraw/zinc/25/90/64/374259064.db2.gz CDPSDJTXYSWFTD-UHFFFAOYSA-N 1 1 246.329 3.318 20 30 BGEDMO N#CCCC[N@@H+](Cc1cccs1)C1CC1 ZINC000042270184 187291264 /nfs/dbraw/zinc/29/12/64/187291264.db2.gz DWSSLVIAPWJIQO-UHFFFAOYSA-N 1 1 220.341 3.016 20 30 BGEDMO CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H](C)C#N ZINC000042287619 358521007 /nfs/dbraw/zinc/52/10/07/358521007.db2.gz WZSIQXRTWSVOHF-NSHDSACASA-N 1 1 236.746 3.322 20 30 BGEDMO CC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H](C)C#N ZINC000042287619 358521003 /nfs/dbraw/zinc/52/10/03/358521003.db2.gz WZSIQXRTWSVOHF-NSHDSACASA-N 1 1 236.746 3.322 20 30 BGEDMO CC[N@H+](Cc1ccc(Cl)cc1)C[C@H](C)C#N ZINC000042287621 358520594 /nfs/dbraw/zinc/52/05/94/358520594.db2.gz WZSIQXRTWSVOHF-LLVKDONJSA-N 1 1 236.746 3.322 20 30 BGEDMO CC[N@@H+](Cc1ccc(Cl)cc1)C[C@H](C)C#N ZINC000042287621 358520592 /nfs/dbraw/zinc/52/05/92/358520592.db2.gz WZSIQXRTWSVOHF-LLVKDONJSA-N 1 1 236.746 3.322 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)CC1CCCCC1 ZINC000042287689 342998256 /nfs/dbraw/zinc/99/82/56/342998256.db2.gz ZIGUZJKRNUSCGS-LBPRGKRZSA-N 1 1 208.349 3.048 20 30 BGEDMO CC[N@@H+](C[C@H](C)C#N)CC1CCCCC1 ZINC000042287691 368302343 /nfs/dbraw/zinc/30/23/43/368302343.db2.gz ZIGUZJKRNUSCGS-GFCCVEGCSA-N 1 1 208.349 3.048 20 30 BGEDMO C=CC[N@H+](CC)Cc1ccccc1Cl ZINC000042294485 368302921 /nfs/dbraw/zinc/30/29/21/368302921.db2.gz MIUPDNHCPNGAPI-UHFFFAOYSA-N 1 1 209.720 3.348 20 30 BGEDMO CC[N@H+](Cc1cccc(Cl)c1)C[C@@H](C)C#N ZINC000042323866 358521410 /nfs/dbraw/zinc/52/14/10/358521410.db2.gz GEOYNQFATOHVDU-NSHDSACASA-N 1 1 236.746 3.322 20 30 BGEDMO CC[N@@H+](Cc1cccc(Cl)c1)C[C@@H](C)C#N ZINC000042323866 358521408 /nfs/dbraw/zinc/52/14/08/358521408.db2.gz GEOYNQFATOHVDU-NSHDSACASA-N 1 1 236.746 3.322 20 30 BGEDMO CC[N@H+](Cc1cccc(Cl)c1)C[C@H](C)C#N ZINC000042323869 358521432 /nfs/dbraw/zinc/52/14/32/358521432.db2.gz GEOYNQFATOHVDU-LLVKDONJSA-N 1 1 236.746 3.322 20 30 BGEDMO CC[N@@H+](Cc1cccc(Cl)c1)C[C@H](C)C#N ZINC000042323869 358521429 /nfs/dbraw/zinc/52/14/29/358521429.db2.gz GEOYNQFATOHVDU-LLVKDONJSA-N 1 1 236.746 3.322 20 30 BGEDMO CC[N@H+](Cc1cc(C)ccc1C)C[C@@H](C)C#N ZINC000042323872 358521579 /nfs/dbraw/zinc/52/15/79/358521579.db2.gz VVYPUKUAZXDTDW-ZDUSSCGKSA-N 1 1 230.355 3.285 20 30 BGEDMO CC[N@@H+](Cc1cc(C)ccc1C)C[C@@H](C)C#N ZINC000042323872 358521575 /nfs/dbraw/zinc/52/15/75/358521575.db2.gz VVYPUKUAZXDTDW-ZDUSSCGKSA-N 1 1 230.355 3.285 20 30 BGEDMO CC[N@H+](Cc1cc(C)ccc1C)C[C@H](C)C#N ZINC000042323875 358521679 /nfs/dbraw/zinc/52/16/79/358521679.db2.gz VVYPUKUAZXDTDW-CYBMUJFWSA-N 1 1 230.355 3.285 20 30 BGEDMO CC[N@@H+](Cc1cc(C)ccc1C)C[C@H](C)C#N ZINC000042323875 358521676 /nfs/dbraw/zinc/52/16/76/358521676.db2.gz VVYPUKUAZXDTDW-CYBMUJFWSA-N 1 1 230.355 3.285 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)Cc1cccc2ccccc21 ZINC000042324727 343434555 /nfs/dbraw/zinc/43/45/55/343434555.db2.gz RRXNFJWEBCZOIG-CYBMUJFWSA-N 1 1 238.334 3.431 20 30 BGEDMO C[C@H](C#N)C[N@H+](C)Cc1cccc2ccccc21 ZINC000042324727 343434554 /nfs/dbraw/zinc/43/45/54/343434554.db2.gz RRXNFJWEBCZOIG-CYBMUJFWSA-N 1 1 238.334 3.431 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1cccc2ccccc21 ZINC000042324730 343434347 /nfs/dbraw/zinc/43/43/47/343434347.db2.gz RRXNFJWEBCZOIG-ZDUSSCGKSA-N 1 1 238.334 3.431 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)Cc1cccc2ccccc21 ZINC000042324730 343434342 /nfs/dbraw/zinc/43/43/42/343434342.db2.gz RRXNFJWEBCZOIG-ZDUSSCGKSA-N 1 1 238.334 3.431 20 30 BGEDMO CC(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC000042338312 388087297 /nfs/dbraw/zinc/08/72/97/388087297.db2.gz HUNJTNARJURBCE-UHFFFAOYSA-N 1 1 216.328 3.036 20 30 BGEDMO CC(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000042338316 342772382 /nfs/dbraw/zinc/77/23/82/342772382.db2.gz QKASPXAQSPSDEB-UHFFFAOYSA-N 1 1 234.318 3.175 20 30 BGEDMO C[C@@H](CC#N)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000042375305 342773336 /nfs/dbraw/zinc/77/33/36/342773336.db2.gz QHGKEKVOKJAGDT-UWVGGRQHSA-N 1 1 222.719 3.293 20 30 BGEDMO C[C@H](CC#N)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000042375306 344452188 /nfs/dbraw/zinc/45/21/88/344452188.db2.gz QHGKEKVOKJAGDT-ZJUUUORDSA-N 1 1 222.719 3.293 20 30 BGEDMO C[C@@H]([NH2+][C@@H](C)CC#N)c1ccc(Cl)cc1 ZINC000042375307 342773565 /nfs/dbraw/zinc/77/35/65/342773565.db2.gz QHGKEKVOKJAGDT-VHSXEESVSA-N 1 1 222.719 3.293 20 30 BGEDMO C[C@H](CC#N)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000042375308 342773518 /nfs/dbraw/zinc/77/35/18/342773518.db2.gz QHGKEKVOKJAGDT-NXEZZACHSA-N 1 1 222.719 3.293 20 30 BGEDMO Cc1occc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000042375734 388092510 /nfs/dbraw/zinc/09/25/10/388092510.db2.gz WWGCYMPPWYGBKQ-UHFFFAOYSA-N 1 1 240.306 3.092 20 30 BGEDMO Cc1occc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000042375736 384638140 /nfs/dbraw/zinc/63/81/40/384638140.db2.gz JWUCPEQXPWUSRV-UHFFFAOYSA-N 1 1 240.306 3.092 20 30 BGEDMO Cc1cccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000042435805 342775514 /nfs/dbraw/zinc/77/55/14/342775514.db2.gz VTMVFCUOIYUGQO-HUUCEWRRSA-N 1 1 228.339 3.119 20 30 BGEDMO Cc1cccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000042435805 342775513 /nfs/dbraw/zinc/77/55/13/342775513.db2.gz VTMVFCUOIYUGQO-HUUCEWRRSA-N 1 1 228.339 3.119 20 30 BGEDMO Cc1cccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000042435806 342775619 /nfs/dbraw/zinc/77/56/19/342775619.db2.gz VTMVFCUOIYUGQO-CABCVRRESA-N 1 1 228.339 3.119 20 30 BGEDMO Cc1cccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000042435806 342775618 /nfs/dbraw/zinc/77/56/18/342775618.db2.gz VTMVFCUOIYUGQO-CABCVRRESA-N 1 1 228.339 3.119 20 30 BGEDMO Cc1ccccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000042436043 342775672 /nfs/dbraw/zinc/77/56/72/342775672.db2.gz YOZHPDUTCOPWHZ-UKRRQHHQSA-N 1 1 228.339 3.119 20 30 BGEDMO Cc1ccccc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000042436044 342775464 /nfs/dbraw/zinc/77/54/64/342775464.db2.gz YOZHPDUTCOPWHZ-HIFRSBDPSA-N 1 1 228.339 3.119 20 30 BGEDMO C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000042437270 342775701 /nfs/dbraw/zinc/77/57/01/342775701.db2.gz JENRXYTVQAUZPW-TZMCWYRMSA-N 1 1 248.757 3.464 20 30 BGEDMO C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000042437270 342775700 /nfs/dbraw/zinc/77/57/00/342775700.db2.gz JENRXYTVQAUZPW-TZMCWYRMSA-N 1 1 248.757 3.464 20 30 BGEDMO C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000042437271 342775704 /nfs/dbraw/zinc/77/57/04/342775704.db2.gz JENRXYTVQAUZPW-OCCSQVGLSA-N 1 1 248.757 3.464 20 30 BGEDMO C[N@H+](Cc1cccc(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000042437271 342775703 /nfs/dbraw/zinc/77/57/03/342775703.db2.gz JENRXYTVQAUZPW-OCCSQVGLSA-N 1 1 248.757 3.464 20 30 BGEDMO C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000042439225 342775607 /nfs/dbraw/zinc/77/56/07/342775607.db2.gz FVJPDPNRMDDGHM-TZMCWYRMSA-N 1 1 248.757 3.464 20 30 BGEDMO C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000042439225 342775606 /nfs/dbraw/zinc/77/56/06/342775606.db2.gz FVJPDPNRMDDGHM-TZMCWYRMSA-N 1 1 248.757 3.464 20 30 BGEDMO C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CCC[C@@H]1C#N ZINC000042439227 342775473 /nfs/dbraw/zinc/77/54/73/342775473.db2.gz FVJPDPNRMDDGHM-OCCSQVGLSA-N 1 1 248.757 3.464 20 30 BGEDMO C[N@H+](Cc1ccc(Cl)cc1)[C@H]1CCC[C@@H]1C#N ZINC000042439227 342775472 /nfs/dbraw/zinc/77/54/72/342775472.db2.gz FVJPDPNRMDDGHM-OCCSQVGLSA-N 1 1 248.757 3.464 20 30 BGEDMO CCc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)s1 ZINC000042449613 358348929 /nfs/dbraw/zinc/34/89/29/358348929.db2.gz SHRURULUWQWIDE-NSHDSACASA-N 1 1 236.384 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/nfs/dbraw/zinc/77/15/94/358771594.db2.gz RCFKTNOFXLRLNN-CQSZACIVSA-N 1 1 219.303 3.019 20 30 BGEDMO C=CC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000052012014 358771606 /nfs/dbraw/zinc/77/16/06/358771606.db2.gz RCFKTNOFXLRLNN-AWEZNQCLSA-N 1 1 219.303 3.019 20 30 BGEDMO N#CCCC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000052035045 491105778 /nfs/dbraw/zinc/10/57/78/491105778.db2.gz MEUYBXBMEHTWIS-HNNXBMFYSA-N 1 1 246.329 3.136 20 30 BGEDMO N#CCCC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052035048 491105796 /nfs/dbraw/zinc/10/57/96/491105796.db2.gz MEUYBXBMEHTWIS-OAHLLOKOSA-N 1 1 246.329 3.136 20 30 BGEDMO C=CC[N@@H+](C)CCCCc1ccccc1 ZINC000052037421 350890861 /nfs/dbraw/zinc/89/08/61/350890861.db2.gz RNNNDOOWBPPHTK-UHFFFAOYSA-N 1 1 203.329 3.127 20 30 BGEDMO C[N@H+](CCCC#N)CCCCc1ccccc1 ZINC000052037647 358140877 /nfs/dbraw/zinc/14/08/77/358140877.db2.gz BCUFNMUKFLDPIK-UHFFFAOYSA-N 1 1 230.355 3.245 20 30 BGEDMO C=C(Cl)C[N@H+](CC)Cc1ccc(OC)cc1 ZINC000052039651 632054762 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/nfs/dbraw/zinc/93/17/24/350931724.db2.gz IXNMFOBPGLADKJ-UHFFFAOYSA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000052077083 350932518 /nfs/dbraw/zinc/93/25/18/350932518.db2.gz CKQQOYCRWDGKQZ-UHFFFAOYSA-N 1 1 205.301 3.210 20 30 BGEDMO N#CCCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000052077199 350932465 /nfs/dbraw/zinc/93/24/65/350932465.db2.gz AUBLTEXYLYCVEV-UHFFFAOYSA-N 1 1 232.327 3.328 20 30 BGEDMO CCC1CCC([N@@H+](CCC#N)C2CC2)CC1 ZINC000052103563 358773345 /nfs/dbraw/zinc/77/33/45/358773345.db2.gz KQSOYRCQNBKXQK-UHFFFAOYSA-N 1 1 220.360 3.333 20 30 BGEDMO CC1CCC([N@@H+](CCCC#N)C2CC2)CC1 ZINC000052104078 343632168 /nfs/dbraw/zinc/63/21/68/343632168.db2.gz LXSXSIKZIQCQFH-UHFFFAOYSA-N 1 1 220.360 3.333 20 30 BGEDMO N#CCCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000052106066 350938308 /nfs/dbraw/zinc/93/83/08/350938308.db2.gz RBUBZVYXSVIIOF-INIZCTEOSA-N 1 1 242.366 3.387 20 30 BGEDMO N#CCCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000052106067 350938591 /nfs/dbraw/zinc/93/85/91/350938591.db2.gz 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3.318 20 30 BGEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1CCCC#N ZINC000052212813 358776121 /nfs/dbraw/zinc/77/61/21/358776121.db2.gz HAZFIKXIOWJMPK-HNNXBMFYSA-N 1 1 228.339 3.436 20 30 BGEDMO Cc1ccccc1[C@H]1CCC[N@H+]1CCCC#N ZINC000052212817 358776114 /nfs/dbraw/zinc/77/61/14/358776114.db2.gz HAZFIKXIOWJMPK-OAHLLOKOSA-N 1 1 228.339 3.436 20 30 BGEDMO N#CCCC[N@@H+](CC1CCCCC1)C1CC1 ZINC000052245044 358777176 /nfs/dbraw/zinc/77/71/76/358777176.db2.gz NYCZAWUJFAULOA-UHFFFAOYSA-N 1 1 220.360 3.335 20 30 BGEDMO C=C(Br)C[N@@H+](C)CC1CCCCC1 ZINC000052439898 640642401 /nfs/dbraw/zinc/64/24/01/640642401.db2.gz WJLRVSPQFOJCJN-UHFFFAOYSA-N 1 1 246.192 3.407 20 30 BGEDMO C=C(Br)C[N@H+](CC)CCCC ZINC000052440003 640642705 /nfs/dbraw/zinc/64/27/05/640642705.db2.gz QQRPYZDVHMZHED-UHFFFAOYSA-N 1 1 220.154 3.017 20 30 BGEDMO C=C(Br)C[N@@H+](CCC)CC1CC1 ZINC000052440004 640642940 /nfs/dbraw/zinc/64/29/40/640642940.db2.gz WUKRITUNEDNZFW-UHFFFAOYSA-N 1 1 232.165 3.017 20 30 BGEDMO C=C(Br)C[N@H+](C)C1CCC(C)CC1 ZINC000052440149 632408787 /nfs/dbraw/zinc/40/87/87/632408787.db2.gz VFCPOCPSIIKTHN-UHFFFAOYSA-N 1 1 246.192 3.406 20 30 BGEDMO C=C(Br)C[N@@H+]1CCC[C@@H](CC)C1 ZINC000052440528 632409030 /nfs/dbraw/zinc/40/90/30/632409030.db2.gz ZLSAXHUPHXQANL-SNVBAGLBSA-N 1 1 232.165 3.017 20 30 BGEDMO C=C(Br)C[N@@H+]1CCC[C@H](CC)C1 ZINC000052440529 632408142 /nfs/dbraw/zinc/40/81/42/632408142.db2.gz ZLSAXHUPHXQANL-JTQLQIEISA-N 1 1 232.165 3.017 20 30 BGEDMO C=C(Br)C[N@@H+]1CCCC[C@H]1CC ZINC000052440580 632410065 /nfs/dbraw/zinc/41/00/65/632410065.db2.gz MRVVJHYRCFMNNF-SNVBAGLBSA-N 1 1 232.165 3.160 20 30 BGEDMO C=C(Br)C[N@@H+]1CCCC[C@@H]1CC ZINC000052440582 632411317 /nfs/dbraw/zinc/41/13/17/632411317.db2.gz MRVVJHYRCFMNNF-JTQLQIEISA-N 1 1 232.165 3.160 20 30 BGEDMO C=C(Br)C[N@H+](C)[C@H](C)CCC ZINC000052440986 632409792 /nfs/dbraw/zinc/40/97/92/632409792.db2.gz ZRYVOHMFNBQUJF-SECBINFHSA-N 1 1 220.154 3.015 20 30 BGEDMO C=C(Br)C[N@H+](C)[C@@H](C)CCC ZINC000052440988 632408851 /nfs/dbraw/zinc/40/88/51/632408851.db2.gz ZRYVOHMFNBQUJF-VIFPVBQESA-N 1 1 220.154 3.015 20 30 BGEDMO C=C(Br)C[N@H+](CC(C)C)C1CC1 ZINC000052441016 632409849 /nfs/dbraw/zinc/40/98/49/632409849.db2.gz PAEWHNKTUFCLLE-UHFFFAOYSA-N 1 1 232.165 3.015 20 30 BGEDMO C=C(Br)C[N@H+](CCCC)C1CC1 ZINC000052441360 632408064 /nfs/dbraw/zinc/40/80/64/632408064.db2.gz NAZZKOWWQWJYPT-UHFFFAOYSA-N 1 1 232.165 3.160 20 30 BGEDMO C=C(Br)C[N@@H+](CCCC)C1CC1 ZINC000052441360 632408058 /nfs/dbraw/zinc/40/80/58/632408058.db2.gz NAZZKOWWQWJYPT-UHFFFAOYSA-N 1 1 232.165 3.160 20 30 BGEDMO C=C(Br)C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000052441447 632408217 /nfs/dbraw/zinc/40/82/17/632408217.db2.gz KSEPUMROKMZERG-VIFPVBQESA-N 1 1 244.176 3.158 20 30 BGEDMO C=C(Br)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000052441448 632409494 /nfs/dbraw/zinc/40/94/94/632409494.db2.gz KSEPUMROKMZERG-SECBINFHSA-N 1 1 244.176 3.158 20 30 BGEDMO C=C(Br)C[N@H+](CCC(C)C)C1CC1 ZINC000052441449 632408618 /nfs/dbraw/zinc/40/86/18/632408618.db2.gz DXDHEZKDDGVKMB-UHFFFAOYSA-N 1 1 246.192 3.406 20 30 BGEDMO C=C(Br)C[N@@H+](CCC(C)C)C1CC1 ZINC000052441449 632408615 /nfs/dbraw/zinc/40/86/15/632408615.db2.gz DXDHEZKDDGVKMB-UHFFFAOYSA-N 1 1 246.192 3.406 20 30 BGEDMO C=C(Br)C[N@H+](CC)C1CCCC1 ZINC000052441461 632407934 /nfs/dbraw/zinc/40/79/34/632407934.db2.gz IWDKTJAKSVWRJO-UHFFFAOYSA-N 1 1 232.165 3.160 20 30 BGEDMO C=C(Br)C[NH+]1CCC(CC)CC1 ZINC000052442135 632407990 /nfs/dbraw/zinc/40/79/90/632407990.db2.gz SMYUGWPXOOTXEG-UHFFFAOYSA-N 1 1 232.165 3.017 20 30 BGEDMO C=CC[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000052450883 398193245 /nfs/dbraw/zinc/19/32/45/398193245.db2.gz GKYDYGKTPVBDLM-UHFFFAOYSA-N 1 1 239.746 3.227 20 30 BGEDMO C=CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000052455245 323193367 /nfs/dbraw/zinc/19/33/67/323193367.db2.gz OIOCRQPQWYKMQW-CYBMUJFWSA-N 1 1 205.276 3.149 20 30 BGEDMO C=CC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000052455247 353200916 /nfs/dbraw/zinc/20/09/16/353200916.db2.gz OIOCRQPQWYKMQW-ZDUSSCGKSA-N 1 1 205.276 3.149 20 30 BGEDMO N#CCCC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000052455782 134384907 /nfs/dbraw/zinc/38/49/07/134384907.db2.gz ZYBUKMLLWKCYLN-AWEZNQCLSA-N 1 1 232.302 3.266 20 30 BGEDMO N#CCCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000052455783 134385015 /nfs/dbraw/zinc/38/50/15/134385015.db2.gz ZYBUKMLLWKCYLN-CQSZACIVSA-N 1 1 232.302 3.266 20 30 BGEDMO C=C(C)C[N@@H+](C)CCCOc1ccccc1C ZINC000052457507 351002503 /nfs/dbraw/zinc/00/25/03/351002503.db2.gz TUGMLFUWHGVSMD-UHFFFAOYSA-N 1 1 233.355 3.272 20 30 BGEDMO C=CC[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000052458033 350948977 /nfs/dbraw/zinc/94/89/77/350948977.db2.gz FOXMDKMEAPYVIQ-UHFFFAOYSA-N 1 1 239.746 3.227 20 30 BGEDMO C=C(C)C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000052659129 358218729 /nfs/dbraw/zinc/21/87/29/358218729.db2.gz ISYIQRVHULXBTJ-UHFFFAOYSA-N 1 1 239.746 3.227 20 30 BGEDMO CC[N@@H+](CCCC#N)[C@@H](C)c1cccc(OC)c1 ZINC000052705940 358791729 /nfs/dbraw/zinc/79/17/29/358791729.db2.gz WPOQDFSAERMTNC-ZDUSSCGKSA-N 1 1 246.354 3.382 20 30 BGEDMO CC[N@@H+](CCCC#N)[C@H](C)c1cccc(OC)c1 ZINC000052705943 358791654 /nfs/dbraw/zinc/79/16/54/358791654.db2.gz WPOQDFSAERMTNC-CYBMUJFWSA-N 1 1 246.354 3.382 20 30 BGEDMO C=CC[N@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000052706276 323194806 /nfs/dbraw/zinc/19/48/06/323194806.db2.gz RJTKAGFJAJVMCZ-LBPRGKRZSA-N 1 1 219.328 3.264 20 30 BGEDMO C=CC[N@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000052706279 323194764 /nfs/dbraw/zinc/19/47/64/323194764.db2.gz RJTKAGFJAJVMCZ-GFCCVEGCSA-N 1 1 219.328 3.264 20 30 BGEDMO C=C(C)C[N@@H+](C)CCOc1ccccc1Cl ZINC000052711261 358223196 /nfs/dbraw/zinc/22/31/96/358223196.db2.gz GYCRULGLGISREF-UHFFFAOYSA-N 1 1 239.746 3.227 20 30 BGEDMO C[N@@H+](CCC#N)CC12CC3CC(CC(C3)C1)C2 ZINC000052816769 358232729 /nfs/dbraw/zinc/23/27/29/358232729.db2.gz GTCYASQPQVMQBH-UHFFFAOYSA-N 1 1 232.371 3.048 20 30 BGEDMO C=C(Cl)C[N@H+](CC)C1CCCCC1 ZINC000052873749 632512482 /nfs/dbraw/zinc/51/24/82/632512482.db2.gz ZUNIFNMIMQPNNR-UHFFFAOYSA-N 1 1 201.741 3.394 20 30 BGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C(C)C ZINC000052876975 487944767 /nfs/dbraw/zinc/94/47/67/487944767.db2.gz JNINJQMIUCRWOP-UHFFFAOYSA-N 1 1 203.329 3.473 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1cc(-c2ccco2)on1 ZINC000052890443 353218472 /nfs/dbraw/zinc/21/84/72/353218472.db2.gz QXLUGUBYSRKLOE-UHFFFAOYSA-N 1 1 246.310 3.333 20 30 BGEDMO C=C(C)C[N@@H+](CC)Cc1cc(-c2ccco2)on1 ZINC000052890443 353218469 /nfs/dbraw/zinc/21/84/69/353218469.db2.gz QXLUGUBYSRKLOE-UHFFFAOYSA-N 1 1 246.310 3.333 20 30 BGEDMO C=C(C)C[N@@H+](CC)CCc1ccccc1 ZINC000052890534 487945408 /nfs/dbraw/zinc/94/54/08/487945408.db2.gz YRSFPPUJFXMDEI-UHFFFAOYSA-N 1 1 203.329 3.127 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(OCC)c(OC)c1 ZINC000052892034 358798735 /nfs/dbraw/zinc/79/87/35/358798735.db2.gz VHJVGXSIHFSULM-UHFFFAOYSA-N 1 1 249.354 3.102 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(OCC)cc1 ZINC000052892049 358798064 /nfs/dbraw/zinc/79/80/64/358798064.db2.gz YZBYYAQGAUZEAX-UHFFFAOYSA-N 1 1 219.328 3.093 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000052892690 355808371 /nfs/dbraw/zinc/80/83/71/355808371.db2.gz NSLOLEGDZXPUQH-UHFFFAOYSA-N 1 1 215.749 3.409 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(CC)cc1 ZINC000052895808 487936342 /nfs/dbraw/zinc/93/63/42/487936342.db2.gz FKNHSIKVPBUWAK-UHFFFAOYSA-N 1 1 203.329 3.257 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000052897074 490229323 /nfs/dbraw/zinc/22/93/23/490229323.db2.gz JMUANUDGOITYSY-ZDUSSCGKSA-N 1 1 215.340 3.473 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000052897076 487947111 /nfs/dbraw/zinc/94/71/11/487947111.db2.gz JMUANUDGOITYSY-CYBMUJFWSA-N 1 1 215.340 3.473 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1cccc(F)c1F ZINC000052916659 387037378 /nfs/dbraw/zinc/03/73/78/387037378.db2.gz WXZOBEVNAPHCMV-UHFFFAOYSA-N 1 1 225.282 3.363 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000052920998 355813000 /nfs/dbraw/zinc/81/30/00/355813000.db2.gz DWQNQNKCBWEWER-UHFFFAOYSA-N 1 1 241.281 3.296 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000052921004 355812860 /nfs/dbraw/zinc/81/28/60/355812860.db2.gz CKGSWLBZEMFZLT-UHFFFAOYSA-N 1 1 209.720 3.348 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052921239 488022869 /nfs/dbraw/zinc/02/28/69/488022869.db2.gz IDKBZNAUSDCVII-UHFFFAOYSA-N 1 1 209.720 3.348 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccccc1Cl ZINC000052921241 488022544 /nfs/dbraw/zinc/02/25/44/488022544.db2.gz BAQNJUJIPNNXTJ-UHFFFAOYSA-N 1 1 209.720 3.348 20 30 BGEDMO C=CCOc1ccc(C[N@@H+](C)CC(=C)C)cc1 ZINC000052921243 488023081 /nfs/dbraw/zinc/02/30/81/488023081.db2.gz ZDKYEKRLXASEQJ-UHFFFAOYSA-N 1 1 231.339 3.259 20 30 BGEDMO CCC[N@@H+](CCCC#N)Cc1ccccc1 ZINC000052922696 351078132 /nfs/dbraw/zinc/07/81/32/351078132.db2.gz QZKIDNOSHCMZQC-UHFFFAOYSA-N 1 1 216.328 3.202 20 30 BGEDMO C=C(Cl)C[N@H+](C)Cc1ccc(C)cc1 ZINC000052928237 636685041 /nfs/dbraw/zinc/68/50/41/636685041.db2.gz JPVVMBWZSWGQIE-UHFFFAOYSA-N 1 1 209.720 3.179 20 30 BGEDMO C=C(Cl)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000052928237 636685028 /nfs/dbraw/zinc/68/50/28/636685028.db2.gz JPVVMBWZSWGQIE-UHFFFAOYSA-N 1 1 209.720 3.179 20 30 BGEDMO C=CC[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000053088719 358808021 /nfs/dbraw/zinc/80/80/21/358808021.db2.gz PVUCMENSHDVXGN-NSHDSACASA-N 1 1 207.292 3.395 20 30 BGEDMO C=CC[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000053088721 358807971 /nfs/dbraw/zinc/80/79/71/358807971.db2.gz PVUCMENSHDVXGN-LLVKDONJSA-N 1 1 207.292 3.395 20 30 BGEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000053096086 353232386 /nfs/dbraw/zinc/23/23/86/353232386.db2.gz UAXNVFFGVBGMTM-LLVKDONJSA-N 1 1 207.342 3.461 20 30 BGEDMO C=C(C)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000053096089 353239831 /nfs/dbraw/zinc/23/98/31/353239831.db2.gz UAXNVFFGVBGMTM-NSHDSACASA-N 1 1 207.342 3.461 20 30 BGEDMO N#CCCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000053096102 134386380 /nfs/dbraw/zinc/38/63/80/134386380.db2.gz AKFNNVLTRHOJAY-NSHDSACASA-N 1 1 220.341 3.189 20 30 BGEDMO N#CCCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000053096104 134386361 /nfs/dbraw/zinc/38/63/61/134386361.db2.gz AKFNNVLTRHOJAY-LLVKDONJSA-N 1 1 220.341 3.189 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(C)cc1C ZINC000053097068 487994910 /nfs/dbraw/zinc/99/49/10/487994910.db2.gz HMCKNQZOOUFLPE-UHFFFAOYSA-N 1 1 203.329 3.311 20 30 BGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000053097926 323196597 /nfs/dbraw/zinc/19/65/97/323196597.db2.gz HKHMOHAWWRBXFV-ZDUSSCGKSA-N 1 1 245.366 3.482 20 30 BGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000053097927 323196592 /nfs/dbraw/zinc/19/65/92/323196592.db2.gz HKHMOHAWWRBXFV-CYBMUJFWSA-N 1 1 245.366 3.482 20 30 BGEDMO C#CC[NH+](Cc1cccs1)Cc1cccs1 ZINC000053098334 632800834 /nfs/dbraw/zinc/80/08/34/632800834.db2.gz AVTZVNOGKUTNOB-UHFFFAOYSA-N 1 1 247.388 3.445 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1nc2ccccc2s1 ZINC000053098738 353231472 /nfs/dbraw/zinc/23/14/72/353231472.db2.gz AAFIJCYAYFLNOR-UHFFFAOYSA-N 1 1 232.352 3.304 20 30 BGEDMO C=C(C)C[N@@H+](C)Cc1nc2ccccc2s1 ZINC000053098738 353231471 /nfs/dbraw/zinc/23/14/71/353231471.db2.gz AAFIJCYAYFLNOR-UHFFFAOYSA-N 1 1 232.352 3.304 20 30 BGEDMO C[N@@H+](CCCC#N)Cc1nc2ccccc2s1 ZINC000053098817 343643285 /nfs/dbraw/zinc/64/32/85/343643285.db2.gz UFFPAQKPIZHGIA-UHFFFAOYSA-N 1 1 245.351 3.032 20 30 BGEDMO C[N@H+](CCCC#N)Cc1nc2ccccc2s1 ZINC000053098817 343643284 /nfs/dbraw/zinc/64/32/84/343643284.db2.gz UFFPAQKPIZHGIA-UHFFFAOYSA-N 1 1 245.351 3.032 20 30 BGEDMO C=C(Cl)C[N@H+](C)C1CCC(C)CC1 ZINC000053098907 632800228 /nfs/dbraw/zinc/80/02/28/632800228.db2.gz KHPOOVMYJFWTIK-UHFFFAOYSA-N 1 1 201.741 3.249 20 30 BGEDMO C=C(C)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000053138285 343118001 /nfs/dbraw/zinc/11/80/01/343118001.db2.gz HHFDXJWVWMMIQL-UHFFFAOYSA-N 1 1 231.295 3.451 20 30 BGEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1CCCC#N ZINC000053139585 358104898 /nfs/dbraw/zinc/10/48/98/358104898.db2.gz ZXBGHTIYJMKOHE-GFCCVEGCSA-N 1 1 234.368 3.361 20 30 BGEDMO CC[C@H]1c2ccsc2CC[N@@H+]1CCCC#N ZINC000053139590 343644230 /nfs/dbraw/zinc/64/42/30/343644230.db2.gz ZXBGHTIYJMKOHE-LBPRGKRZSA-N 1 1 234.368 3.361 20 30 BGEDMO C=CC[N@H+]1CCc2sccc2[C@H]1CC ZINC000053139718 358812579 /nfs/dbraw/zinc/81/25/79/358812579.db2.gz ZXVMSOAFRWAZRE-LLVKDONJSA-N 1 1 207.342 3.243 20 30 BGEDMO C=CC[N@H+]1CCc2sccc2[C@@H]1CC ZINC000053139723 358104838 /nfs/dbraw/zinc/10/48/38/358104838.db2.gz ZXVMSOAFRWAZRE-NSHDSACASA-N 1 1 207.342 3.243 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000053144007 353246584 /nfs/dbraw/zinc/24/65/84/353246584.db2.gz RVGBRNLEFWAKNO-UHFFFAOYSA-N 1 1 244.382 3.295 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cc(C)ccc1OC ZINC000053149444 353246446 /nfs/dbraw/zinc/24/64/46/353246446.db2.gz IDIQVHWTLIIFAG-UHFFFAOYSA-N 1 1 219.328 3.012 20 30 BGEDMO C=C(C)C[N@H+]1CCc2sccc2[C@H]1C ZINC000053150780 358813754 /nfs/dbraw/zinc/81/37/54/358813754.db2.gz KGDHKGUUJZMTQO-SNVBAGLBSA-N 1 1 207.342 3.243 20 30 BGEDMO C=C(C)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000053150781 358813340 /nfs/dbraw/zinc/81/33/40/358813340.db2.gz KGDHKGUUJZMTQO-JTQLQIEISA-N 1 1 207.342 3.243 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(Cl)c1 ZINC000053155828 134386335 /nfs/dbraw/zinc/38/63/35/134386335.db2.gz KTYGBPRNZFISIO-LBPRGKRZSA-N 1 1 222.719 3.122 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(Cl)c1 ZINC000053155832 536056953 /nfs/dbraw/zinc/05/69/53/536056953.db2.gz KTYGBPRNZFISIO-GFCCVEGCSA-N 1 1 222.719 3.122 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053156147 134386104 /nfs/dbraw/zinc/38/61/04/134386104.db2.gz BCEXKZSHFNYAJB-JTQLQIEISA-N 1 1 240.709 3.261 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053156151 536055391 /nfs/dbraw/zinc/05/53/91/536055391.db2.gz BCEXKZSHFNYAJB-SNVBAGLBSA-N 1 1 240.709 3.261 20 30 BGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C1CCCC1 ZINC000053316754 348347568 /nfs/dbraw/zinc/34/75/68/348347568.db2.gz DAKGNBJFRRTGFW-UHFFFAOYSA-N 1 1 240.350 3.489 20 30 BGEDMO C=CC[N@H+](CCOC)Cc1ccc(Cl)s1 ZINC000053399868 363238887 /nfs/dbraw/zinc/23/88/87/363238887.db2.gz MHFAZKJTCSIWEQ-UHFFFAOYSA-N 1 1 245.775 3.036 20 30 BGEDMO C=CC[N@@H+](CCOC)Cc1ccc(Cl)s1 ZINC000053399868 363238882 /nfs/dbraw/zinc/23/88/82/363238882.db2.gz MHFAZKJTCSIWEQ-UHFFFAOYSA-N 1 1 245.775 3.036 20 30 BGEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCC#N ZINC000053422531 363280033 /nfs/dbraw/zinc/28/00/33/363280033.db2.gz NRAPYGOTWXKOAP-NSHDSACASA-N 1 1 220.291 3.122 20 30 BGEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCC#N ZINC000053422534 363279877 /nfs/dbraw/zinc/27/98/77/363279877.db2.gz NRAPYGOTWXKOAP-LLVKDONJSA-N 1 1 220.291 3.122 20 30 BGEDMO C=C(C)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000053422907 343118350 /nfs/dbraw/zinc/11/83/50/343118350.db2.gz MDKGOAZLGNNBFM-NSHDSACASA-N 1 1 207.292 3.395 20 30 BGEDMO C=C(C)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000053422910 343118634 /nfs/dbraw/zinc/11/86/34/343118634.db2.gz MDKGOAZLGNNBFM-LLVKDONJSA-N 1 1 207.292 3.395 20 30 BGEDMO C=CC[N@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000053425667 353244533 /nfs/dbraw/zinc/24/45/33/353244533.db2.gz WCWYTZLTYSWBII-PWSUYJOCSA-N 1 1 205.301 3.021 20 30 BGEDMO C=CC[N@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000053425671 353244382 /nfs/dbraw/zinc/24/43/82/353244382.db2.gz WCWYTZLTYSWBII-JQWIXIFHSA-N 1 1 205.301 3.021 20 30 BGEDMO C=CC[N@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000053425676 353244591 /nfs/dbraw/zinc/24/45/91/353244591.db2.gz WCWYTZLTYSWBII-ZYHUDNBSSA-N 1 1 205.301 3.021 20 30 BGEDMO C=CC[N@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000053425680 353244652 /nfs/dbraw/zinc/24/46/52/353244652.db2.gz WCWYTZLTYSWBII-CMPLNLGQSA-N 1 1 205.301 3.021 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000053427166 358828671 /nfs/dbraw/zinc/82/86/71/358828671.db2.gz KHJGQAFJIYZCDN-YPMHNXCESA-N 1 1 219.328 3.411 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000053427170 358828691 /nfs/dbraw/zinc/82/86/91/358828691.db2.gz KHJGQAFJIYZCDN-AAEUAGOBSA-N 1 1 219.328 3.411 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000053427174 358828922 /nfs/dbraw/zinc/82/89/22/358828922.db2.gz KHJGQAFJIYZCDN-DGCLKSJQSA-N 1 1 219.328 3.411 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000053427178 358828740 /nfs/dbraw/zinc/82/87/40/358828740.db2.gz KHJGQAFJIYZCDN-WCQYABFASA-N 1 1 219.328 3.411 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@@H](C)c1cccs1 ZINC000053429466 363286090 /nfs/dbraw/zinc/28/60/90/363286090.db2.gz CXFJQUSHDUUOEB-VIFPVBQESA-N 1 1 215.749 3.493 20 30 BGEDMO C=C(Cl)C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000053429466 363286085 /nfs/dbraw/zinc/28/60/85/363286085.db2.gz CXFJQUSHDUUOEB-VIFPVBQESA-N 1 1 215.749 3.493 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@H](C)c1cccs1 ZINC000053429470 363286161 /nfs/dbraw/zinc/28/61/61/363286161.db2.gz CXFJQUSHDUUOEB-SECBINFHSA-N 1 1 215.749 3.493 20 30 BGEDMO C=C(Cl)C[N@@H+](C)[C@H](C)c1cccs1 ZINC000053429470 363286157 /nfs/dbraw/zinc/28/61/57/363286157.db2.gz CXFJQUSHDUUOEB-SECBINFHSA-N 1 1 215.749 3.493 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1ccc(C#N)cc1F ZINC000053899173 353250948 /nfs/dbraw/zinc/25/09/48/353250948.db2.gz LDIWNAOXUSYIJQ-UHFFFAOYSA-N 1 1 232.302 3.095 20 30 BGEDMO C=CCOc1ccc(C[N@H+](C)CC(C)C)cc1 ZINC000053906465 363556899 /nfs/dbraw/zinc/55/68/99/363556899.db2.gz KFLZRRCSPWLBGJ-UHFFFAOYSA-N 1 1 233.355 3.339 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1cc(C#N)ccc1F ZINC000053906487 343118353 /nfs/dbraw/zinc/11/83/53/343118353.db2.gz ROGHVDUFYGQGBB-UHFFFAOYSA-N 1 1 232.302 3.095 20 30 BGEDMO C=CC[N@@H+](Cc1cccs1)CC(C)C ZINC000053906608 166346508 /nfs/dbraw/zinc/34/65/08/166346508.db2.gz XVMYFBGQLSOZEP-UHFFFAOYSA-N 1 1 209.358 3.392 20 30 BGEDMO C=C(Cl)C[N@H+](C)C1CCCCCC1 ZINC000053906722 711738423 /nfs/dbraw/zinc/73/84/23/711738423.db2.gz ZDSQXKGJTZBCLL-UHFFFAOYSA-N 1 1 201.741 3.394 20 30 BGEDMO N#CCC[NH+]1CCC(CCc2ccccc2)CC1 ZINC000054148433 363564400 /nfs/dbraw/zinc/56/44/00/363564400.db2.gz CHXFEBVBFNGUKS-UHFFFAOYSA-N 1 1 242.366 3.245 20 30 BGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000054179179 385597594 /nfs/dbraw/zinc/59/75/94/385597594.db2.gz XPGLASKDGRZHPY-GFCCVEGCSA-N 1 1 230.355 3.233 20 30 BGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000054179181 385596962 /nfs/dbraw/zinc/59/69/62/385596962.db2.gz XPGLASKDGRZHPY-LBPRGKRZSA-N 1 1 230.355 3.233 20 30 BGEDMO C[C@H](C#N)C[NH2+]Cc1ccc2ccccc2c1 ZINC000054179183 348891031 /nfs/dbraw/zinc/89/10/31/348891031.db2.gz TTXYVVJUKLMODL-GFCCVEGCSA-N 1 1 224.307 3.089 20 30 BGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc2ccccc2c1 ZINC000054179185 348890847 /nfs/dbraw/zinc/89/08/47/348890847.db2.gz TTXYVVJUKLMODL-LBPRGKRZSA-N 1 1 224.307 3.089 20 30 BGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000054179215 348890908 /nfs/dbraw/zinc/89/09/08/348890908.db2.gz VXVGLNICHJYLSK-MRVPVSSYSA-N 1 1 243.137 3.243 20 30 BGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000054179217 348891321 /nfs/dbraw/zinc/89/13/21/348891321.db2.gz VXVGLNICHJYLSK-QMMMGPOBSA-N 1 1 243.137 3.243 20 30 BGEDMO C[C@H](C#N)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000054179514 322856892 /nfs/dbraw/zinc/85/68/92/322856892.db2.gz WNOOQCZNUGZHKO-MNOVXSKESA-N 1 1 228.295 3.243 20 30 BGEDMO C[C@@H](C#N)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000054179516 397972687 /nfs/dbraw/zinc/97/26/87/397972687.db2.gz WNOOQCZNUGZHKO-QWRGUYRKSA-N 1 1 228.295 3.243 20 30 BGEDMO C[C@@H]([NH2+]C[C@H](C)C#N)c1cc2ccccc2o1 ZINC000054179518 397972694 /nfs/dbraw/zinc/97/26/94/397972694.db2.gz WNOOQCZNUGZHKO-GHMZBOCLSA-N 1 1 228.295 3.243 20 30 BGEDMO C[C@@H](C#N)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000054179520 397972717 /nfs/dbraw/zinc/97/27/17/397972717.db2.gz WNOOQCZNUGZHKO-WDEREUQCSA-N 1 1 228.295 3.243 20 30 BGEDMO CCCCOc1ccc(C[NH2+]C[C@@H](C)C#N)cc1 ZINC000054180384 348890758 /nfs/dbraw/zinc/89/07/58/348890758.db2.gz RMUVRBABQGTQJA-ZDUSSCGKSA-N 1 1 246.354 3.115 20 30 BGEDMO CCCCOc1ccc(C[NH2+]C[C@H](C)C#N)cc1 ZINC000054180386 348891285 /nfs/dbraw/zinc/89/12/85/348891285.db2.gz RMUVRBABQGTQJA-CYBMUJFWSA-N 1 1 246.354 3.115 20 30 BGEDMO CCc1oc2ccccc2c1C[NH2+]C[C@@H](C)C#N ZINC000054180864 385600287 /nfs/dbraw/zinc/60/02/87/385600287.db2.gz KQHQHDKAZXPZPC-NSHDSACASA-N 1 1 242.322 3.244 20 30 BGEDMO CCc1oc2ccccc2c1C[NH2+]C[C@H](C)C#N ZINC000054180867 385600004 /nfs/dbraw/zinc/60/00/04/385600004.db2.gz KQHQHDKAZXPZPC-LLVKDONJSA-N 1 1 242.322 3.244 20 30 BGEDMO C[C@H](C#N)C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000054181495 348896500 /nfs/dbraw/zinc/89/65/00/348896500.db2.gz MRZPKNUPLOENAL-MRVPVSSYSA-N 1 1 243.137 3.243 20 30 BGEDMO C[C@@H](C#N)C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000054181497 348896028 /nfs/dbraw/zinc/89/60/28/348896028.db2.gz MRZPKNUPLOENAL-QMMMGPOBSA-N 1 1 243.137 3.243 20 30 BGEDMO CCc1ccc(C[NH2+][C@@H](CC)CC#N)cc1 ZINC000054181933 134387521 /nfs/dbraw/zinc/38/75/21/134387521.db2.gz AYFRGMMHPXIBQX-AWEZNQCLSA-N 1 1 216.328 3.031 20 30 BGEDMO CCc1ccc(C[NH2+][C@H](CC)CC#N)cc1 ZINC000054181935 134387869 /nfs/dbraw/zinc/38/78/69/134387869.db2.gz AYFRGMMHPXIBQX-CQSZACIVSA-N 1 1 216.328 3.031 20 30 BGEDMO CC[C@@H](CC#N)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000054182306 411222082 /nfs/dbraw/zinc/22/20/82/411222082.db2.gz MRNWKDFUCPKOHW-ONGXEEELSA-N 1 1 238.281 3.308 20 30 BGEDMO CC[C@H](CC#N)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000054182309 411222267 /nfs/dbraw/zinc/22/22/67/411222267.db2.gz MRNWKDFUCPKOHW-GXSJLCMTSA-N 1 1 238.281 3.308 20 30 BGEDMO CC[C@@H](CC#N)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000054182311 411221826 /nfs/dbraw/zinc/22/18/26/411221826.db2.gz MRNWKDFUCPKOHW-KOLCDFICSA-N 1 1 238.281 3.308 20 30 BGEDMO CC[C@H](CC#N)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000054182313 171419690 /nfs/dbraw/zinc/41/96/90/171419690.db2.gz MRNWKDFUCPKOHW-MWLCHTKSSA-N 1 1 238.281 3.308 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc2ccccc2o1 ZINC000054182840 134387559 /nfs/dbraw/zinc/38/75/59/134387559.db2.gz BSPRQXGLEHOQME-LBPRGKRZSA-N 1 1 228.295 3.215 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1cc2ccccc2o1 ZINC000054182842 536055802 /nfs/dbraw/zinc/05/58/02/536055802.db2.gz BSPRQXGLEHOQME-GFCCVEGCSA-N 1 1 228.295 3.215 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Cl)s1 ZINC000054182847 134388032 /nfs/dbraw/zinc/38/80/32/134388032.db2.gz JQQGDEJYSLTVSN-QMMMGPOBSA-N 1 1 228.748 3.183 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Cl)s1 ZINC000054182850 536055953 /nfs/dbraw/zinc/05/59/53/536055953.db2.gz JQQGDEJYSLTVSN-MRVPVSSYSA-N 1 1 228.748 3.183 20 30 BGEDMO C=CCOc1ccc(C[NH2+][C@@H](CC)CC#N)cc1 ZINC000054182855 358856624 /nfs/dbraw/zinc/85/66/24/358856624.db2.gz PKEKOGIIBDAKQN-AWEZNQCLSA-N 1 1 244.338 3.033 20 30 BGEDMO C=CCOc1ccc(C[NH2+][C@H](CC)CC#N)cc1 ZINC000054182857 134759861 /nfs/dbraw/zinc/75/98/61/134759861.db2.gz PKEKOGIIBDAKQN-CQSZACIVSA-N 1 1 244.338 3.033 20 30 BGEDMO CCCOc1ccc(C[NH2+][C@@H](CC)CC#N)cc1 ZINC000054182866 348909213 /nfs/dbraw/zinc/90/92/13/348909213.db2.gz XHJFINNHHUUFJQ-AWEZNQCLSA-N 1 1 246.354 3.257 20 30 BGEDMO CCCOc1ccc(C[NH2+][C@H](CC)CC#N)cc1 ZINC000054182869 348909534 /nfs/dbraw/zinc/90/95/34/348909534.db2.gz XHJFINNHHUUFJQ-CQSZACIVSA-N 1 1 246.354 3.257 20 30 BGEDMO CC[C@@H](CC#N)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000054182944 397972519 /nfs/dbraw/zinc/97/25/19/397972519.db2.gz RZTMHASWFJLIHW-AAEUAGOBSA-N 1 1 232.327 3.038 20 30 BGEDMO CC[C@H](CC#N)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000054182947 322856851 /nfs/dbraw/zinc/85/68/51/322856851.db2.gz RZTMHASWFJLIHW-WCQYABFASA-N 1 1 232.327 3.038 20 30 BGEDMO CC[C@@H](CC#N)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000054182949 322857016 /nfs/dbraw/zinc/85/70/16/322857016.db2.gz RZTMHASWFJLIHW-YPMHNXCESA-N 1 1 232.327 3.038 20 30 BGEDMO CC[C@H](CC#N)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000054182951 397972708 /nfs/dbraw/zinc/97/27/08/397972708.db2.gz RZTMHASWFJLIHW-DGCLKSJQSA-N 1 1 232.327 3.038 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(SC)cc1 ZINC000054183234 134387785 /nfs/dbraw/zinc/38/77/85/134387785.db2.gz FGHASESBZIYZFF-LBPRGKRZSA-N 1 1 234.368 3.190 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(SC)cc1 ZINC000054183236 536058076 /nfs/dbraw/zinc/05/80/76/536058076.db2.gz FGHASESBZIYZFF-GFCCVEGCSA-N 1 1 234.368 3.190 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000054183553 134387597 /nfs/dbraw/zinc/38/75/97/134387597.db2.gz SIVIRLLIFMFXAQ-AWEZNQCLSA-N 1 1 246.354 3.256 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000054183554 536057147 /nfs/dbraw/zinc/05/71/47/536057147.db2.gz SIVIRLLIFMFXAQ-CQSZACIVSA-N 1 1 246.354 3.256 20 30 BGEDMO CCc1ccc(C[NH2+][C@@H](CC)CC#N)s1 ZINC000054183919 348910096 /nfs/dbraw/zinc/91/00/96/348910096.db2.gz NPRHBVYRBYWZOM-JTQLQIEISA-N 1 1 222.357 3.092 20 30 BGEDMO CCc1ccc(C[NH2+][C@H](CC)CC#N)s1 ZINC000054183920 348910261 /nfs/dbraw/zinc/91/02/61/348910261.db2.gz NPRHBVYRBYWZOM-SNVBAGLBSA-N 1 1 222.357 3.092 20 30 BGEDMO CCc1ccccc1C[NH2+][C@@H](CC)CC#N ZINC000054183943 348910344 /nfs/dbraw/zinc/91/03/44/348910344.db2.gz HPHUJRSSTDEIGL-AWEZNQCLSA-N 1 1 216.328 3.031 20 30 BGEDMO CCc1ccccc1C[NH2+][C@H](CC)CC#N ZINC000054183944 348909806 /nfs/dbraw/zinc/90/98/06/348909806.db2.gz HPHUJRSSTDEIGL-CQSZACIVSA-N 1 1 216.328 3.031 20 30 BGEDMO CCCOc1cccc(C[NH2+][C@@H](CC)CC#N)c1 ZINC000054183963 636048941 /nfs/dbraw/zinc/04/89/41/636048941.db2.gz HNSVFKAPWLKQLN-AWEZNQCLSA-N 1 1 246.354 3.257 20 30 BGEDMO CCCOc1cccc(C[NH2+][C@H](CC)CC#N)c1 ZINC000054183964 636048961 /nfs/dbraw/zinc/04/89/61/636048961.db2.gz HNSVFKAPWLKQLN-CQSZACIVSA-N 1 1 246.354 3.257 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000054183983 535726549 /nfs/dbraw/zinc/72/65/49/535726549.db2.gz UFZSBEXWAIOTTR-AWEZNQCLSA-N 1 1 246.354 3.256 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000054183984 536057399 /nfs/dbraw/zinc/05/73/99/536057399.db2.gz UFZSBEXWAIOTTR-CQSZACIVSA-N 1 1 246.354 3.256 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000054184083 134387686 /nfs/dbraw/zinc/38/76/86/134387686.db2.gz AISYOMLLWXNGLD-JTQLQIEISA-N 1 1 240.709 3.261 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000054184084 536055664 /nfs/dbraw/zinc/05/56/64/536055664.db2.gz AISYOMLLWXNGLD-SNVBAGLBSA-N 1 1 240.709 3.261 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(C)sc1C ZINC000054184103 348910176 /nfs/dbraw/zinc/91/01/76/348910176.db2.gz YGAXSKVVDVMENN-LBPRGKRZSA-N 1 1 222.357 3.147 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(C)sc1C ZINC000054184104 348910295 /nfs/dbraw/zinc/91/02/95/348910295.db2.gz YGAXSKVVDVMENN-GFCCVEGCSA-N 1 1 222.357 3.147 20 30 BGEDMO C=CC[N@H+](CCC)Cc1ccc(OC)cc1 ZINC000054272501 358857097 /nfs/dbraw/zinc/85/70/97/358857097.db2.gz NCBRRPMNELCWAX-UHFFFAOYSA-N 1 1 219.328 3.093 20 30 BGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)CC(C)C ZINC000054272579 369062714 /nfs/dbraw/zinc/06/27/14/369062714.db2.gz CTBQBLHBSCFBAP-UHFFFAOYSA-N 1 1 233.355 3.339 20 30 BGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000054338190 358859092 /nfs/dbraw/zinc/85/90/92/358859092.db2.gz ASTHSDTVDYFYBZ-INIZCTEOSA-N 1 1 245.366 3.244 20 30 BGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000054338199 358858926 /nfs/dbraw/zinc/85/89/26/358858926.db2.gz ASTHSDTVDYFYBZ-MRXNPFEDSA-N 1 1 245.366 3.244 20 30 BGEDMO CC[N@@H+](CCC#N)[C@@H](C)c1ccc(F)cc1 ZINC000054340937 323204134 /nfs/dbraw/zinc/20/41/34/323204134.db2.gz TZIQIZGRIMQBCU-NSHDSACASA-N 1 1 220.291 3.122 20 30 BGEDMO CC[N@H+](CCC#N)[C@@H](C)c1ccc(F)cc1 ZINC000054340937 323204133 /nfs/dbraw/zinc/20/41/33/323204133.db2.gz TZIQIZGRIMQBCU-NSHDSACASA-N 1 1 220.291 3.122 20 30 BGEDMO CC[N@@H+](CCC#N)[C@H](C)c1ccc(F)cc1 ZINC000054340939 323204052 /nfs/dbraw/zinc/20/40/52/323204052.db2.gz TZIQIZGRIMQBCU-LLVKDONJSA-N 1 1 220.291 3.122 20 30 BGEDMO CC[N@H+](CCC#N)[C@H](C)c1ccc(F)cc1 ZINC000054340939 323204051 /nfs/dbraw/zinc/20/40/51/323204051.db2.gz TZIQIZGRIMQBCU-LLVKDONJSA-N 1 1 220.291 3.122 20 30 BGEDMO C[C@H](C#N)C[NH2+]Cc1csc2ccccc12 ZINC000054463776 385628538 /nfs/dbraw/zinc/62/85/38/385628538.db2.gz BIINGLBXUVHRHV-SNVBAGLBSA-N 1 1 230.336 3.151 20 30 BGEDMO C[C@@H](C#N)C[NH2+]Cc1csc2ccccc12 ZINC000054463779 175596853 /nfs/dbraw/zinc/59/68/53/175596853.db2.gz BIINGLBXUVHRHV-JTQLQIEISA-N 1 1 230.336 3.151 20 30 BGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000054978913 359684833 /nfs/dbraw/zinc/68/48/33/359684833.db2.gz ZDKJOGQXYNVDKA-OAHLLOKOSA-N 1 1 231.339 3.408 20 30 BGEDMO C=C(C)C[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000054978914 359684745 /nfs/dbraw/zinc/68/47/45/359684745.db2.gz ZDKJOGQXYNVDKA-HNNXBMFYSA-N 1 1 231.339 3.408 20 30 BGEDMO N#CCCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000054993381 363583583 /nfs/dbraw/zinc/58/35/83/363583583.db2.gz SWOVAESWDCMJAI-AWEZNQCLSA-N 1 1 214.312 3.127 20 30 BGEDMO N#CCCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000054993382 363582848 /nfs/dbraw/zinc/58/28/48/363582848.db2.gz SWOVAESWDCMJAI-CQSZACIVSA-N 1 1 214.312 3.127 20 30 BGEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000054993383 353346617 /nfs/dbraw/zinc/34/66/17/353346617.db2.gz FLNFGZGQPALJQP-CQSZACIVSA-N 1 1 201.313 3.400 20 30 BGEDMO C=C(C)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000054993384 359695602 /nfs/dbraw/zinc/69/56/02/359695602.db2.gz FLNFGZGQPALJQP-AWEZNQCLSA-N 1 1 201.313 3.400 20 30 BGEDMO C=C(Cl)C[N@@H+](C)CCc1ccc(F)cc1 ZINC000055059510 640431211 /nfs/dbraw/zinc/43/12/11/640431211.db2.gz AWBJMYCPCOGNPQ-UHFFFAOYSA-N 1 1 227.710 3.053 20 30 BGEDMO C=C(Cl)C[N@H+](C)CCc1ccc(F)cc1 ZINC000055059510 640431202 /nfs/dbraw/zinc/43/12/02/640431202.db2.gz AWBJMYCPCOGNPQ-UHFFFAOYSA-N 1 1 227.710 3.053 20 30 BGEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCC#N)c1 ZINC000055157043 363587375 /nfs/dbraw/zinc/58/73/75/363587375.db2.gz INFXYJXURYCZHQ-AWEZNQCLSA-N 1 1 214.312 3.046 20 30 BGEDMO Cc1cccc([C@@H]2CCC[N@@H+]2CCC#N)c1 ZINC000055157043 363587371 /nfs/dbraw/zinc/58/73/71/363587371.db2.gz INFXYJXURYCZHQ-AWEZNQCLSA-N 1 1 214.312 3.046 20 30 BGEDMO Cc1cccc([C@H]2CCC[N@H+]2CCC#N)c1 ZINC000055157044 363587454 /nfs/dbraw/zinc/58/74/54/363587454.db2.gz INFXYJXURYCZHQ-CQSZACIVSA-N 1 1 214.312 3.046 20 30 BGEDMO Cc1cccc([C@H]2CCC[N@@H+]2CCC#N)c1 ZINC000055157044 363587452 /nfs/dbraw/zinc/58/74/52/363587452.db2.gz INFXYJXURYCZHQ-CQSZACIVSA-N 1 1 214.312 3.046 20 30 BGEDMO C[C@H]([N@@H+](C)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000055481867 388578021 /nfs/dbraw/zinc/57/80/21/388578021.db2.gz UACBZRUEKPZTLU-LBPRGKRZSA-N 1 1 230.355 3.425 20 30 BGEDMO C[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000055481870 388598818 /nfs/dbraw/zinc/59/88/18/388598818.db2.gz UACBZRUEKPZTLU-GFCCVEGCSA-N 1 1 230.355 3.425 20 30 BGEDMO C[C@H]([N@@H+](C)Cc1ccccc1C#N)C(C)(C)C ZINC000055481876 388598723 /nfs/dbraw/zinc/59/87/23/388598723.db2.gz QQSLAKGOMVZCKT-LBPRGKRZSA-N 1 1 230.355 3.425 20 30 BGEDMO C[C@@H]([N@@H+](C)Cc1ccccc1C#N)C(C)(C)C ZINC000055481877 388598519 /nfs/dbraw/zinc/59/85/19/388598519.db2.gz QQSLAKGOMVZCKT-GFCCVEGCSA-N 1 1 230.355 3.425 20 30 BGEDMO C[C@H]([N@@H+](C)Cc1cccc(C#N)c1)C(C)(C)C ZINC000055481900 176744401 /nfs/dbraw/zinc/74/44/01/176744401.db2.gz VIIWQRXRKVTBMR-LBPRGKRZSA-N 1 1 230.355 3.425 20 30 BGEDMO C[C@@H]([N@@H+](C)Cc1cccc(C#N)c1)C(C)(C)C ZINC000055481903 398270413 /nfs/dbraw/zinc/27/04/13/398270413.db2.gz VIIWQRXRKVTBMR-GFCCVEGCSA-N 1 1 230.355 3.425 20 30 BGEDMO C=C(C)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000055504925 359839320 /nfs/dbraw/zinc/83/93/20/359839320.db2.gz PVFDUWHDUJUWJU-OAHLLOKOSA-N 1 1 215.340 3.270 20 30 BGEDMO C=C(C)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000055504927 359838952 /nfs/dbraw/zinc/83/89/52/359838952.db2.gz PVFDUWHDUJUWJU-HNNXBMFYSA-N 1 1 215.340 3.270 20 30 BGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000055506128 363594001 /nfs/dbraw/zinc/59/40/01/363594001.db2.gz IAOQFYRJIALXID-CYBMUJFWSA-N 1 1 205.276 3.149 20 30 BGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000055506131 363594127 /nfs/dbraw/zinc/59/41/27/363594127.db2.gz IAOQFYRJIALXID-ZDUSSCGKSA-N 1 1 205.276 3.149 20 30 BGEDMO N#CCCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000055506461 363593597 /nfs/dbraw/zinc/59/35/97/363593597.db2.gz DQUIPQFPKKXRNX-AWEZNQCLSA-N 1 1 232.302 3.266 20 30 BGEDMO N#CCCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000055506463 363594991 /nfs/dbraw/zinc/59/49/91/363594991.db2.gz DQUIPQFPKKXRNX-CQSZACIVSA-N 1 1 232.302 3.266 20 30 BGEDMO C=CC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000055908396 358892714 /nfs/dbraw/zinc/89/27/14/358892714.db2.gz ISHJXOOCVALAAG-CQSZACIVSA-N 1 1 219.303 3.019 20 30 BGEDMO C=CC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000055908397 363605001 /nfs/dbraw/zinc/60/50/01/363605001.db2.gz ISHJXOOCVALAAG-AWEZNQCLSA-N 1 1 219.303 3.019 20 30 BGEDMO N#CCCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000055908476 363605339 /nfs/dbraw/zinc/60/53/39/363605339.db2.gz NYNKHKRZVWONPV-HNNXBMFYSA-N 1 1 246.329 3.136 20 30 BGEDMO N#CCCC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000055908477 363604886 /nfs/dbraw/zinc/60/48/86/363604886.db2.gz NYNKHKRZVWONPV-OAHLLOKOSA-N 1 1 246.329 3.136 20 30 BGEDMO C=CC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000055910031 363604948 /nfs/dbraw/zinc/60/49/48/363604948.db2.gz PDLOXQLYIDIMAG-AWEZNQCLSA-N 1 1 201.313 3.318 20 30 BGEDMO C=CC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000055910032 363605359 /nfs/dbraw/zinc/60/53/59/363605359.db2.gz PDLOXQLYIDIMAG-CQSZACIVSA-N 1 1 201.313 3.318 20 30 BGEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCCC#N)c1 ZINC000055910354 363605093 /nfs/dbraw/zinc/60/50/93/363605093.db2.gz CJBHNQRVVAIMBT-HNNXBMFYSA-N 1 1 228.339 3.436 20 30 BGEDMO Cc1cccc([C@H]2CCC[N@H+]2CCCC#N)c1 ZINC000055910355 363605646 /nfs/dbraw/zinc/60/56/46/363605646.db2.gz CJBHNQRVVAIMBT-OAHLLOKOSA-N 1 1 228.339 3.436 20 30 BGEDMO C=CC[N@@H+](CC(=C)C)Cc1ccc(OC)cc1 ZINC000056291322 388097543 /nfs/dbraw/zinc/09/75/43/388097543.db2.gz KFVKEWQCJCVQJI-UHFFFAOYSA-N 1 1 231.339 3.259 20 30 BGEDMO C=CC[N@H+](CC(=C)C)Cc1ccccc1F ZINC000056312466 359869690 /nfs/dbraw/zinc/86/96/90/359869690.db2.gz NGEAFRIGMOATMW-UHFFFAOYSA-N 1 1 219.303 3.390 20 30 BGEDMO C=CC[N@@H+](CC(=C)C)Cc1ccccc1F ZINC000056312466 359869688 /nfs/dbraw/zinc/86/96/88/359869688.db2.gz NGEAFRIGMOATMW-UHFFFAOYSA-N 1 1 219.303 3.390 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1csc([N+](=O)[O-])c1 ZINC000056492401 353379391 /nfs/dbraw/zinc/37/93/91/353379391.db2.gz FOZQCVAWENNTJA-UHFFFAOYSA-N 1 1 240.328 3.054 20 30 BGEDMO C=C(C)C[N@@H+](CC)Cc1csc([N+](=O)[O-])c1 ZINC000056492401 353379387 /nfs/dbraw/zinc/37/93/87/353379387.db2.gz FOZQCVAWENNTJA-UHFFFAOYSA-N 1 1 240.328 3.054 20 30 BGEDMO C=CC[N@H+](CCCC#N)Cc1ccccc1F ZINC000056512361 368470179 /nfs/dbraw/zinc/47/01/79/368470179.db2.gz QRNKTLLRIKKTMY-UHFFFAOYSA-N 1 1 232.302 3.117 20 30 BGEDMO C=CC[N@@H+](CCCC#N)Cc1ccccc1F ZINC000056512361 368470174 /nfs/dbraw/zinc/47/01/74/368470174.db2.gz QRNKTLLRIKKTMY-UHFFFAOYSA-N 1 1 232.302 3.117 20 30 BGEDMO C=CC[N@H+](CCC)Cc1ccccc1F ZINC000056512369 344358803 /nfs/dbraw/zinc/35/88/03/344358803.db2.gz OQWOHKGNLGCZSA-UHFFFAOYSA-N 1 1 207.292 3.224 20 30 BGEDMO CCc1ccc(C2CC[NH+](CCC#N)CC2)cc1 ZINC000057534018 387503187 /nfs/dbraw/zinc/50/31/87/387503187.db2.gz KWYWUJLSLWNPEH-UHFFFAOYSA-N 1 1 242.366 3.342 20 30 BGEDMO N#CCC[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000057537430 192088387 /nfs/dbraw/zinc/08/83/87/192088387.db2.gz AOTJCBHAZSYWHG-UHFFFAOYSA-N 1 1 248.757 3.433 20 30 BGEDMO N#CCC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000057537435 384954286 /nfs/dbraw/zinc/95/42/86/384954286.db2.gz XUJNMAAXYQIDHG-UHFFFAOYSA-N 1 1 248.757 3.433 20 30 BGEDMO C=C(Cl)C[N@H+](CC)Cc1cccs1 ZINC000057600803 640624170 /nfs/dbraw/zinc/62/41/70/640624170.db2.gz WLVKRMLKAYLWJF-UHFFFAOYSA-N 1 1 215.749 3.323 20 30 BGEDMO C=C(Cl)C[N@@H+](CC)Cc1cccs1 ZINC000057600803 640624164 /nfs/dbraw/zinc/62/41/64/640624164.db2.gz WLVKRMLKAYLWJF-UHFFFAOYSA-N 1 1 215.749 3.323 20 30 BGEDMO N#Cc1ccc(C[N@@H+](C2CC2)C2CCCC2)cc1 ZINC000057619651 181102327 /nfs/dbraw/zinc/10/23/27/181102327.db2.gz PBRAKWXRTYWNDO-UHFFFAOYSA-N 1 1 240.350 3.465 20 30 BGEDMO N#Cc1ccccc1C[N@@H+](C1CC1)C1CCCC1 ZINC000057619722 351330791 /nfs/dbraw/zinc/33/07/91/351330791.db2.gz GIJUYMURQWAKIJ-UHFFFAOYSA-N 1 1 240.350 3.465 20 30 BGEDMO N#Cc1cccc(C[N@@H+](C2CC2)C2CCCC2)c1 ZINC000057619859 368498140 /nfs/dbraw/zinc/49/81/40/368498140.db2.gz BUBNOMPVFPCWED-UHFFFAOYSA-N 1 1 240.350 3.465 20 30 BGEDMO Cc1ccsc1C[N@@H+](C)CCCCC#N ZINC000057620397 350130215 /nfs/dbraw/zinc/13/02/15/350130215.db2.gz WKJWXDQDPCCVQE-UHFFFAOYSA-N 1 1 222.357 3.182 20 30 BGEDMO C=CC[N@@H+](CCCCC#N)Cc1cccs1 ZINC000057621013 387141848 /nfs/dbraw/zinc/14/18/48/387141848.db2.gz YTTLNOQHUUGHDB-UHFFFAOYSA-N 1 1 234.368 3.430 20 30 BGEDMO C=C(C)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000057621120 358906211 /nfs/dbraw/zinc/90/62/11/358906211.db2.gz FQERWJLXCZULOL-UHFFFAOYSA-N 1 1 219.303 3.366 20 30 BGEDMO N#CCCCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000057621155 134390831 /nfs/dbraw/zinc/39/08/31/134390831.db2.gz JBJMAGJVSDOGSJ-UHFFFAOYSA-N 1 1 246.329 3.484 20 30 BGEDMO CC[N@@H+](CCCCC#N)Cc1cccc(F)c1 ZINC000057621515 385757319 /nfs/dbraw/zinc/75/73/19/385757319.db2.gz RPKLJSLVMWTHQI-UHFFFAOYSA-N 1 1 234.318 3.341 20 30 BGEDMO C#CC[N@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000057621540 640626442 /nfs/dbraw/zinc/62/64/42/640626442.db2.gz KPNIAUKTASDEMF-UHFFFAOYSA-N 1 1 227.351 3.408 20 30 BGEDMO C[C@@H](c1ccccc1)[N@@H+](C)CCCCC#N ZINC000057623862 350130251 /nfs/dbraw/zinc/13/02/51/350130251.db2.gz ZGVBJAZJRDUDDY-ZDUSSCGKSA-N 1 1 216.328 3.373 20 30 BGEDMO C[C@H](c1ccccc1)[N@@H+](C)CCCCC#N ZINC000057623864 350130565 /nfs/dbraw/zinc/13/05/65/350130565.db2.gz ZGVBJAZJRDUDDY-CYBMUJFWSA-N 1 1 216.328 3.373 20 30 BGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000057661412 177314173 /nfs/dbraw/zinc/31/41/73/177314173.db2.gz YLXSHNDGACZQJZ-OKILXGFUSA-N 1 1 242.366 3.231 20 30 BGEDMO CCCC[N@@H+](CC)Cc1ccc(CC#N)cc1 ZINC000057661463 385938571 /nfs/dbraw/zinc/93/85/71/385938571.db2.gz SMZBYHFMPZZFIB-UHFFFAOYSA-N 1 1 230.355 3.375 20 30 BGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000057661482 176073700 /nfs/dbraw/zinc/07/37/00/176073700.db2.gz HDABUBVBKOCCKH-CYBMUJFWSA-N 1 1 228.339 3.127 20 30 BGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000057661484 177077872 /nfs/dbraw/zinc/07/78/72/177077872.db2.gz HDABUBVBKOCCKH-ZDUSSCGKSA-N 1 1 228.339 3.127 20 30 BGEDMO CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](C)C#N ZINC000057862521 368501916 /nfs/dbraw/zinc/50/19/16/368501916.db2.gz DCDGYNBSYKPCIZ-JSGCOSHPSA-N 1 1 216.328 3.229 20 30 BGEDMO CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H](C)C#N ZINC000057862525 368501891 /nfs/dbraw/zinc/50/18/91/368501891.db2.gz DCDGYNBSYKPCIZ-GXTWGEPZSA-N 1 1 216.328 3.229 20 30 BGEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1CCCC#N ZINC000057863564 358908143 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ZINC000058864366 136210475 /nfs/dbraw/zinc/21/04/75/136210475.db2.gz LUDIFGUXRNXDNS-MNOVXSKESA-N 1 1 236.746 3.492 20 30 BGEDMO C[C@H](C#N)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000058864366 136210474 /nfs/dbraw/zinc/21/04/74/136210474.db2.gz LUDIFGUXRNXDNS-MNOVXSKESA-N 1 1 236.746 3.492 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000058864368 136210425 /nfs/dbraw/zinc/21/04/25/136210425.db2.gz LUDIFGUXRNXDNS-QWRGUYRKSA-N 1 1 236.746 3.492 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000058864368 136210424 /nfs/dbraw/zinc/21/04/24/136210424.db2.gz LUDIFGUXRNXDNS-QWRGUYRKSA-N 1 1 236.746 3.492 20 30 BGEDMO CCCCCCC[NH2+]C1CCN(C(C)C)CC1 ZINC000059055175 640778762 /nfs/dbraw/zinc/77/87/62/640778762.db2.gz APZACVOSGVOULO-UHFFFAOYSA-N 1 1 240.435 3.419 20 30 BGEDMO CCCCCCC[NH2+]C1CCN(CCC)CC1 ZINC000059055198 640779282 /nfs/dbraw/zinc/77/92/82/640779282.db2.gz PJSGERHWXFVWTE-UHFFFAOYSA-N 1 1 240.435 3.421 20 30 BGEDMO CCCCCCCC[N@@H+](C)C1CCNCC1 ZINC000059367801 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358924696 /nfs/dbraw/zinc/92/46/96/358924696.db2.gz KBJHAQPWOAAUJL-UHFFFAOYSA-N 1 1 248.370 3.105 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000060474328 368544666 /nfs/dbraw/zinc/54/46/66/368544666.db2.gz FFBSQSLLAATWMM-IUODEOHRSA-N 1 1 228.339 3.155 20 30 BGEDMO CCC[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477272 324037015 /nfs/dbraw/zinc/03/70/15/324037015.db2.gz LEBIUGDDSNIWPW-GFCCVEGCSA-N 1 1 216.328 3.351 20 30 BGEDMO C=CC[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477273 324036723 /nfs/dbraw/zinc/03/67/23/324036723.db2.gz BIYOZPNNPHMBFU-GFCCVEGCSA-N 1 1 214.312 3.127 20 30 BGEDMO CC[N@@H+](CCCC#N)[C@H](C)c1ccc(C#N)cc1 ZINC000060477421 324037055 /nfs/dbraw/zinc/03/70/55/324037055.db2.gz JEJNBHXNUWHHAK-CYBMUJFWSA-N 1 1 241.338 3.245 20 30 BGEDMO CCC[N@@H+](CCC#N)CC1CCCCC1 ZINC000060495899 360478611 /nfs/dbraw/zinc/47/86/11/360478611.db2.gz DHIBWTREFATPOP-UHFFFAOYSA-N 1 1 208.349 3.192 20 30 BGEDMO CC[C@@H](C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000060575335 369494975 /nfs/dbraw/zinc/49/49/75/369494975.db2.gz RAKUVFVWSOYLHJ-GFCCVEGCSA-N 1 1 241.338 3.041 20 30 BGEDMO CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H](C)C#N ZINC000060876746 343721227 /nfs/dbraw/zinc/72/12/27/343721227.db2.gz DCDGYNBSYKPCIZ-OCCSQVGLSA-N 1 1 216.328 3.229 20 30 BGEDMO C=CC[N@H+](CCCC)Cc1ccccc1 ZINC000060974779 368557139 /nfs/dbraw/zinc/55/71/39/368557139.db2.gz XSCYMKHSAYLVHT-UHFFFAOYSA-N 1 1 203.329 3.475 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccsc1 ZINC000061363068 188012984 /nfs/dbraw/zinc/01/29/84/188012984.db2.gz XBQHGFUPLGFEGY-QMMMGPOBSA-N 1 1 201.722 3.151 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccsc1 ZINC000061363069 187322267 /nfs/dbraw/zinc/32/22/67/187322267.db2.gz XBQHGFUPLGFEGY-MRVPVSSYSA-N 1 1 201.722 3.151 20 30 BGEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccsc1 ZINC000061363504 384436176 /nfs/dbraw/zinc/43/61/76/384436176.db2.gz QLOFNXMVTKFYKJ-NSHDSACASA-N 1 1 242.347 3.471 20 30 BGEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccsc1 ZINC000061363505 388641640 /nfs/dbraw/zinc/64/16/40/388641640.db2.gz QLOFNXMVTKFYKJ-LLVKDONJSA-N 1 1 242.347 3.471 20 30 BGEDMO C[C@@H](CC#N)[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626698 369785855 /nfs/dbraw/zinc/78/58/55/369785855.db2.gz VPBZKKYCFUQJBZ-VIFPVBQESA-N 1 1 242.244 3.097 20 30 BGEDMO C[C@H](CC#N)[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626700 369785826 /nfs/dbraw/zinc/78/58/26/369785826.db2.gz VPBZKKYCFUQJBZ-SECBINFHSA-N 1 1 242.244 3.097 20 30 BGEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000061626823 343726678 /nfs/dbraw/zinc/72/66/78/343726678.db2.gz BYIGEPOFUKLYKI-VIFPVBQESA-N 1 1 242.244 3.097 20 30 BGEDMO C[C@H](CC#N)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000061626824 369785775 /nfs/dbraw/zinc/78/57/75/369785775.db2.gz BYIGEPOFUKLYKI-SECBINFHSA-N 1 1 242.244 3.097 20 30 BGEDMO C=C(C)C[N@@H+](CC)CCCOc1ccccc1 ZINC000061758536 187361482 /nfs/dbraw/zinc/36/14/82/187361482.db2.gz DJGZIXZEWJKDPT-UHFFFAOYSA-N 1 1 233.355 3.354 20 30 BGEDMO C=C(C)C[N@@H+](CC)CCOc1ccccc1C ZINC000061758546 360397100 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CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)C(C)C ZINC000067661078 368695271 /nfs/dbraw/zinc/69/52/71/368695271.db2.gz QFLDWVBDBPEILL-CYBMUJFWSA-N 1 1 230.355 3.425 20 30 BGEDMO C=C(Br)C[N@H+](CC)[C@@H](C)C(C)C ZINC000067661143 643115113 /nfs/dbraw/zinc/11/51/13/643115113.db2.gz OOZRTZUFJSIMLX-JTQLQIEISA-N 1 1 234.181 3.261 20 30 BGEDMO Cc1ccc([C@H]2CCC[N@H+]2CCC#N)cc1C ZINC000067984867 387097064 /nfs/dbraw/zinc/09/70/64/387097064.db2.gz FPPQDKHECCLHOE-OAHLLOKOSA-N 1 1 228.339 3.354 20 30 BGEDMO Cc1ccc([C@H]2CCC[N@@H+]2CCC#N)cc1C ZINC000067984867 387097060 /nfs/dbraw/zinc/09/70/60/387097060.db2.gz FPPQDKHECCLHOE-OAHLLOKOSA-N 1 1 228.339 3.354 20 30 BGEDMO Cc1cc(C)c(C[NH2+][C@@H](C)CC#N)c(C)c1 ZINC000068612736 370820576 /nfs/dbraw/zinc/82/05/76/370820576.db2.gz XUHOJTIWJUDZBA-ZDUSSCGKSA-N 1 1 216.328 3.004 20 30 BGEDMO Cc1cc(C)c(C[NH2+][C@H](C)CC#N)c(C)c1 ZINC000068612740 370820306 /nfs/dbraw/zinc/82/03/06/370820306.db2.gz XUHOJTIWJUDZBA-CYBMUJFWSA-N 1 1 216.328 3.004 20 30 BGEDMO C[C@@H](CC#N)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000068613092 136209740 /nfs/dbraw/zinc/20/97/40/136209740.db2.gz NAQZOUJTFXYIFO-IUCAKERBSA-N 1 1 240.709 3.432 20 30 BGEDMO C[C@H](CC#N)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000068613095 136209772 /nfs/dbraw/zinc/20/97/72/136209772.db2.gz NAQZOUJTFXYIFO-BDAKNGLRSA-N 1 1 240.709 3.432 20 30 BGEDMO C[C@@H]([NH2+][C@@H](C)CC#N)c1ccc(F)c(Cl)c1 ZINC000068613103 136209813 /nfs/dbraw/zinc/20/98/13/136209813.db2.gz NAQZOUJTFXYIFO-DTWKUNHWSA-N 1 1 240.709 3.432 20 30 BGEDMO C[C@H](CC#N)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000068613107 136209947 /nfs/dbraw/zinc/20/99/47/136209947.db2.gz NAQZOUJTFXYIFO-RKDXNWHRSA-N 1 1 240.709 3.432 20 30 BGEDMO C[C@@H](CC#N)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000068613475 642787227 /nfs/dbraw/zinc/78/72/27/642787227.db2.gz MTSYNILVGVNYAG-TVQRCGJNSA-N 1 1 234.730 3.219 20 30 BGEDMO C[C@H](CC#N)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000068613480 642787753 /nfs/dbraw/zinc/78/77/53/642787753.db2.gz MTSYNILVGVNYAG-NOZJJQNGSA-N 1 1 234.730 3.219 20 30 BGEDMO C[C@@H](CC#N)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000068613484 642788681 /nfs/dbraw/zinc/78/86/81/642788681.db2.gz MTSYNILVGVNYAG-ZANVPECISA-N 1 1 234.730 3.219 20 30 BGEDMO C[C@H](CC#N)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000068613488 642787427 /nfs/dbraw/zinc/78/74/27/642787427.db2.gz MTSYNILVGVNYAG-RNCFNFMXSA-N 1 1 234.730 3.219 20 30 BGEDMO CC(C)COc1cccc(C[NH2+][C@@H](C)CC#N)c1 ZINC000068613894 370821067 /nfs/dbraw/zinc/82/10/67/370821067.db2.gz UAFJXVIILDMVQJ-ZDUSSCGKSA-N 1 1 246.354 3.113 20 30 BGEDMO CC(C)COc1cccc(C[NH2+][C@H](C)CC#N)c1 ZINC000068613897 370820892 /nfs/dbraw/zinc/82/08/92/370820892.db2.gz UAFJXVIILDMVQJ-CYBMUJFWSA-N 1 1 246.354 3.113 20 30 BGEDMO CC[N@@H+](Cc1ccnc(C#N)c1)C1CCCCC1 ZINC000068765506 344492956 /nfs/dbraw/zinc/49/29/56/344492956.db2.gz CJYSXOKCLWUMPP-UHFFFAOYSA-N 1 1 243.354 3.108 20 30 BGEDMO C[N@@H+](Cc1ccnc(C#N)c1)C1CCCCCC1 ZINC000068765848 370844454 /nfs/dbraw/zinc/84/44/54/370844454.db2.gz LJXVUYMLEUOWSO-UHFFFAOYSA-N 1 1 243.354 3.108 20 30 BGEDMO CCC(CC)C[N@@H+](CC)Cc1ccnc(C#N)c1 ZINC000068766081 344493640 /nfs/dbraw/zinc/49/36/40/344493640.db2.gz KZDNYBCZNAJLFL-UHFFFAOYSA-N 1 1 245.370 3.211 20 30 BGEDMO CCCCC[N@@H+](Cc1ccnc(C#N)c1)C(C)C ZINC000068766327 370844229 /nfs/dbraw/zinc/84/42/29/370844229.db2.gz MXAMBBCTSDTTEK-UHFFFAOYSA-N 1 1 245.370 3.354 20 30 BGEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000068817396 642379314 /nfs/dbraw/zinc/37/93/14/642379314.db2.gz XIKCYFBIRDBHMF-UHFFFAOYSA-N 1 1 246.354 3.067 20 30 BGEDMO COc1ccc(C[N@H+](CCC#N)CC(C)C)cc1 ZINC000068817396 642379310 /nfs/dbraw/zinc/37/93/10/642379310.db2.gz XIKCYFBIRDBHMF-UHFFFAOYSA-N 1 1 246.354 3.067 20 30 BGEDMO C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000068830365 388717107 /nfs/dbraw/zinc/71/71/07/388717107.db2.gz BLSBEIIKFUACCH-CYBMUJFWSA-N 1 1 228.339 3.180 20 30 BGEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000068830736 323085166 /nfs/dbraw/zinc/08/51/66/323085166.db2.gz KQTZDIHNUIJYDC-CYBMUJFWSA-N 1 1 228.339 3.180 20 30 BGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000068838166 387107951 /nfs/dbraw/zinc/10/79/51/387107951.db2.gz FLJUBWWPEYKRPF-CYBMUJFWSA-N 1 1 228.339 3.180 20 30 BGEDMO C=C(Br)C[N@@H+]1CCC[C@@H](C)CC1 ZINC000068855691 373076307 /nfs/dbraw/zinc/07/63/07/373076307.db2.gz HBRHTGVDODUYJO-SECBINFHSA-N 1 1 232.165 3.017 20 30 BGEDMO C=C(Br)C[N@@H+]1CCC[C@H](C)CC1 ZINC000068855696 373076604 /nfs/dbraw/zinc/07/66/04/373076604.db2.gz HBRHTGVDODUYJO-VIFPVBQESA-N 1 1 232.165 3.017 20 30 BGEDMO CCC[N@@H+](CCCCC#N)Cc1ccccc1O ZINC000068973550 711890279 /nfs/dbraw/zinc/89/02/79/711890279.db2.gz SNQYDVUYBKWSQV-UHFFFAOYSA-N 1 1 246.354 3.298 20 30 BGEDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000069068514 176031441 /nfs/dbraw/zinc/03/14/41/176031441.db2.gz VAZAMRUTVIVCFG-LBPRGKRZSA-N 1 1 240.306 3.344 20 30 BGEDMO C[C@H](c1ccco1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000069068515 177048265 /nfs/dbraw/zinc/04/82/65/177048265.db2.gz VAZAMRUTVIVCFG-GFCCVEGCSA-N 1 1 240.306 3.344 20 30 BGEDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000069070396 388719364 /nfs/dbraw/zinc/71/93/64/388719364.db2.gz UBRRTODKPHNQRF-LBPRGKRZSA-N 1 1 240.306 3.344 20 30 BGEDMO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000069070398 388718984 /nfs/dbraw/zinc/71/89/84/388718984.db2.gz UBRRTODKPHNQRF-GFCCVEGCSA-N 1 1 240.306 3.344 20 30 BGEDMO N#CCCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000069079321 187396852 /nfs/dbraw/zinc/39/68/52/187396852.db2.gz PYHSFYSBAQVEDP-UHFFFAOYSA-N 1 1 220.360 3.335 20 30 BGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000069085159 387111603 /nfs/dbraw/zinc/11/16/03/387111603.db2.gz GHESNAKQRUYOBU-ZDUSSCGKSA-N 1 1 217.312 3.018 20 30 BGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000069085162 387113868 /nfs/dbraw/zinc/11/38/68/387113868.db2.gz GHESNAKQRUYOBU-CYBMUJFWSA-N 1 1 217.312 3.018 20 30 BGEDMO COc1ccccc1[C@@H]1CCC[N@H+]1CCCC#N ZINC000069085829 387112798 /nfs/dbraw/zinc/11/27/98/387112798.db2.gz PMKFXLOLXLJFDE-AWEZNQCLSA-N 1 1 244.338 3.136 20 30 BGEDMO COc1ccccc1[C@H]1CCC[N@H+]1CCCC#N ZINC000069085833 387111923 /nfs/dbraw/zinc/11/19/23/387111923.db2.gz PMKFXLOLXLJFDE-CQSZACIVSA-N 1 1 244.338 3.136 20 30 BGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000069085837 323088942 /nfs/dbraw/zinc/08/89/42/323088942.db2.gz GBVDSXACKDAERM-CQSZACIVSA-N 1 1 231.339 3.408 20 30 BGEDMO C=C(C)C[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000069085840 323088884 /nfs/dbraw/zinc/08/88/84/323088884.db2.gz GBVDSXACKDAERM-AWEZNQCLSA-N 1 1 231.339 3.408 20 30 BGEDMO CCC(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000069433197 168285662 /nfs/dbraw/zinc/28/56/62/168285662.db2.gz LFNWWTVSAQDSHB-UHFFFAOYSA-N 1 1 234.318 3.318 20 30 BGEDMO CCC(C)(C)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000069433202 168286566 /nfs/dbraw/zinc/28/65/66/168286566.db2.gz WRNXHHGSLGSENI-UHFFFAOYSA-N 1 1 234.318 3.318 20 30 BGEDMO CCC(C)(C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000069433206 359029165 /nfs/dbraw/zinc/02/91/65/359029165.db2.gz MKNPCOUIPWBFMC-UHFFFAOYSA-N 1 1 246.354 3.057 20 30 BGEDMO CCC(C)(C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000069433228 370930316 /nfs/dbraw/zinc/93/03/16/370930316.db2.gz LXVVBCLCEYTZFC-UHFFFAOYSA-N 1 1 216.328 3.179 20 30 BGEDMO CCC(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000069433242 168286136 /nfs/dbraw/zinc/28/61/36/168286136.db2.gz LONIBMIVCWLMHV-UHFFFAOYSA-N 1 1 216.328 3.179 20 30 BGEDMO CCC(C)(C)[N@@H+](C)CCOc1ccccc1C#N ZINC000069433261 370930408 /nfs/dbraw/zinc/93/04/08/370930408.db2.gz GGMDQDPJITUOBA-UHFFFAOYSA-N 1 1 246.354 3.057 20 30 BGEDMO CCC(C)(C)[N@@H+](C)Cc1ccccc1C#N ZINC000069433651 168286128 /nfs/dbraw/zinc/28/61/28/168286128.db2.gz XEUQWOIFTTUGEQ-UHFFFAOYSA-N 1 1 216.328 3.179 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc2ncccc2c1 ZINC000069502078 410009054 /nfs/dbraw/zinc/00/90/54/410009054.db2.gz NPCLELUHWAZSCE-AWEZNQCLSA-N 1 1 239.322 3.017 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2ncccc2c1 ZINC000069502080 536058167 /nfs/dbraw/zinc/05/81/67/536058167.db2.gz NPCLELUHWAZSCE-CQSZACIVSA-N 1 1 239.322 3.017 20 30 BGEDMO CCOc1ccccc1C[N@@H+](C)CCCCC#N ZINC000069607415 388851102 /nfs/dbraw/zinc/85/11/02/388851102.db2.gz GENMOXMYJPMBBP-UHFFFAOYSA-N 1 1 246.354 3.211 20 30 BGEDMO C=C(C)C[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000069683771 388858832 /nfs/dbraw/zinc/85/88/32/388858832.db2.gz NMEDEIVQLKWCOG-HNNXBMFYSA-N 1 1 245.366 3.278 20 30 BGEDMO C#CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000069791016 642915285 /nfs/dbraw/zinc/91/52/85/642915285.db2.gz PTRVEICLOPZNKJ-UHFFFAOYSA-N 1 1 230.698 3.323 20 30 BGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccoc1 ZINC000069833048 359034959 /nfs/dbraw/zinc/03/49/59/359034959.db2.gz QLOMEQJLUKTNIM-UHFFFAOYSA-N 1 1 243.306 3.134 20 30 BGEDMO C=CC[N@@H+](CCCC#N)CC1CCCCC1 ZINC000069859893 368759566 /nfs/dbraw/zinc/75/95/66/368759566.db2.gz UAXSJFOIQLZBJE-UHFFFAOYSA-N 1 1 220.360 3.358 20 30 BGEDMO C=CC[N@H+](CCCCCO)CC1CCCCC1 ZINC000070015934 388874057 /nfs/dbraw/zinc/87/40/57/388874057.db2.gz FVQYTJQNBXQKLQ-UHFFFAOYSA-N 1 1 239.403 3.217 20 30 BGEDMO C[C@@H](c1ccccc1)[N@@H+](CCC#N)C1CC1 ZINC000070069876 384078104 /nfs/dbraw/zinc/07/81/04/384078104.db2.gz RWFPEJLHMAUHSA-LBPRGKRZSA-N 1 1 214.312 3.126 20 30 BGEDMO C[C@@H](c1ccccc1)[N@H+](CCC#N)C1CC1 ZINC000070069876 384078098 /nfs/dbraw/zinc/07/80/98/384078098.db2.gz RWFPEJLHMAUHSA-LBPRGKRZSA-N 1 1 214.312 3.126 20 30 BGEDMO C[C@H](c1ccccc1)[N@@H+](CCC#N)C1CC1 ZINC000070069877 384078190 /nfs/dbraw/zinc/07/81/90/384078190.db2.gz RWFPEJLHMAUHSA-GFCCVEGCSA-N 1 1 214.312 3.126 20 30 BGEDMO C[C@H](c1ccccc1)[N@H+](CCC#N)C1CC1 ZINC000070069877 384078181 /nfs/dbraw/zinc/07/81/81/384078181.db2.gz RWFPEJLHMAUHSA-GFCCVEGCSA-N 1 1 214.312 3.126 20 30 BGEDMO CCC(C)(C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000070079678 359040394 /nfs/dbraw/zinc/04/03/94/359040394.db2.gz UJLFFNMIPNXIDW-UHFFFAOYSA-N 1 1 246.354 3.057 20 30 BGEDMO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000070158149 384440873 /nfs/dbraw/zinc/44/08/73/384440873.db2.gz LMLZZCTWLIITCX-GFCCVEGCSA-N 1 1 246.329 3.319 20 30 BGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000070158152 176099775 /nfs/dbraw/zinc/09/97/75/176099775.db2.gz VLVLJFKENMWTEB-GFCCVEGCSA-N 1 1 246.329 3.319 20 30 BGEDMO C[N@H+](Cc1ccc(C#N)cc1F)CC1CCCC1 ZINC000070158336 359043590 /nfs/dbraw/zinc/04/35/90/359043590.db2.gz CBWPRNVLBWHGLJ-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO C[N@H+](Cc1ccccc1C#N)CC1CCCC1 ZINC000070158348 387117998 /nfs/dbraw/zinc/11/79/98/387117998.db2.gz RCUQAJKDYGLPCA-UHFFFAOYSA-N 1 1 228.339 3.180 20 30 BGEDMO CC(C)C[N@@H+](CCC#N)CCc1cccs1 ZINC000070165605 642986737 /nfs/dbraw/zinc/98/67/37/642986737.db2.gz JZFSELXRGTURHP-UHFFFAOYSA-N 1 1 236.384 3.162 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1ccccc1 ZINC000070218227 388878859 /nfs/dbraw/zinc/87/88/59/388878859.db2.gz ULTWVSWQHGDUFB-STQMWFEESA-N 1 1 216.328 3.229 20 30 BGEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1ccccc1 ZINC000070218228 388878645 /nfs/dbraw/zinc/87/86/45/388878645.db2.gz ULTWVSWQHGDUFB-OLZOCXBDSA-N 1 1 216.328 3.229 20 30 BGEDMO CC1(C)CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000070259011 359047729 /nfs/dbraw/zinc/04/77/29/359047729.db2.gz BUEWHGHZVSAOOO-UHFFFAOYSA-N 1 1 228.339 3.180 20 30 BGEDMO CC1(C)CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000070259013 359048019 /nfs/dbraw/zinc/04/80/19/359048019.db2.gz RTDZLQDLBVWRPP-UHFFFAOYSA-N 1 1 228.339 3.180 20 30 BGEDMO C[C@@H]1CCCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000070409525 359052085 /nfs/dbraw/zinc/05/20/85/359052085.db2.gz XNTJJGAAIZXUIV-GFCCVEGCSA-N 1 1 246.329 3.462 20 30 BGEDMO C[C@H]1CCCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000070409526 371028792 /nfs/dbraw/zinc/02/87/92/371028792.db2.gz XNTJJGAAIZXUIV-LBPRGKRZSA-N 1 1 246.329 3.462 20 30 BGEDMO C[C@@H]1CCCCC[N@H+]1Cc1ccccc1C#N ZINC000070409545 371029220 /nfs/dbraw/zinc/02/92/20/371029220.db2.gz VDRVRADOSQTFRM-CYBMUJFWSA-N 1 1 228.339 3.323 20 30 BGEDMO C[C@@H]1CCCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000070409551 371029099 /nfs/dbraw/zinc/02/90/99/371029099.db2.gz GPCHEBQASLMQBS-CYBMUJFWSA-N 1 1 228.339 3.323 20 30 BGEDMO C[C@H]1CCCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000070409552 371028705 /nfs/dbraw/zinc/02/87/05/371028705.db2.gz GPCHEBQASLMQBS-ZDUSSCGKSA-N 1 1 228.339 3.323 20 30 BGEDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000070409553 371029411 /nfs/dbraw/zinc/02/94/11/371029411.db2.gz CWMOUUCKWKDBNH-CYBMUJFWSA-N 1 1 228.339 3.323 20 30 BGEDMO C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000070409554 371029069 /nfs/dbraw/zinc/02/90/69/371029069.db2.gz CWMOUUCKWKDBNH-ZDUSSCGKSA-N 1 1 228.339 3.323 20 30 BGEDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000070409563 371029240 /nfs/dbraw/zinc/02/92/40/371029240.db2.gz IOHLQJOYERILGL-GFCCVEGCSA-N 1 1 246.329 3.462 20 30 BGEDMO C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000070409564 371029404 /nfs/dbraw/zinc/02/94/04/371029404.db2.gz IOHLQJOYERILGL-LBPRGKRZSA-N 1 1 246.329 3.462 20 30 BGEDMO CC(C)c1[nH+]ccn1CC#Cc1ccccc1 ZINC000070422986 353259204 /nfs/dbraw/zinc/25/92/04/353259204.db2.gz XPXWDFHEBXADQC-UHFFFAOYSA-N 1 1 224.307 3.058 20 30 BGEDMO CC[N@H+](Cc1ccc2c(c1)CCC2)C[C@@H](C)C#N ZINC000070498877 359057347 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/nfs/dbraw/zinc/85/34/94/383853494.db2.gz TXBYDZSVRYAJEQ-UHFFFAOYSA-N 1 1 219.332 3.166 20 30 BGEDMO C[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000087608391 135158613 /nfs/dbraw/zinc/15/86/13/135158613.db2.gz YNGZPQFWVPPQNB-GFCCVEGCSA-N 1 1 208.349 3.191 20 30 BGEDMO C[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000087608392 135159168 /nfs/dbraw/zinc/15/91/68/135159168.db2.gz YNGZPQFWVPPQNB-LBPRGKRZSA-N 1 1 208.349 3.191 20 30 BGEDMO C[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000087608398 135159054 /nfs/dbraw/zinc/15/90/54/135159054.db2.gz NWLRIGWLCRLXCQ-GFCCVEGCSA-N 1 1 208.349 3.048 20 30 BGEDMO C[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000087608399 135158725 /nfs/dbraw/zinc/15/87/25/135158725.db2.gz NWLRIGWLCRLXCQ-LBPRGKRZSA-N 1 1 208.349 3.048 20 30 BGEDMO CC(C)(C#N)CCC[N@H+]1CCc2sccc2C1 ZINC000087608403 383853855 /nfs/dbraw/zinc/85/38/55/383853855.db2.gz YWCRWISOYIRWPW-UHFFFAOYSA-N 1 1 248.395 3.436 20 30 BGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000087608412 383854275 /nfs/dbraw/zinc/85/42/75/383854275.db2.gz QCBIMFWJSCMHSM-UHFFFAOYSA-N 1 1 230.355 3.448 20 30 BGEDMO CCCC[N@@H+](CC)CCCC(C)(C)C#N ZINC000087608422 384407880 /nfs/dbraw/zinc/40/78/80/384407880.db2.gz PFWNKOHWEKYMMU-UHFFFAOYSA-N 1 1 210.365 3.438 20 30 BGEDMO CC(C)(C#N)CCC[N@H+]1CCc2ccccc2C1 ZINC000087608426 359920163 /nfs/dbraw/zinc/92/01/63/359920163.db2.gz JNHBCMJYNCGQBO-UHFFFAOYSA-N 1 1 242.366 3.375 20 30 BGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCC(C)(C)C#N)C1 ZINC000087608432 359919786 /nfs/dbraw/zinc/91/97/86/359919786.db2.gz GDKUMXVNMMLVAT-BETUJISGSA-N 1 1 222.376 3.294 20 30 BGEDMO C[N@@H+](CCCC(C)(C)C#N)C1CCCC1 ZINC000087608460 135158791 /nfs/dbraw/zinc/15/87/91/135158791.db2.gz LRAJIWHYCRQZQJ-UHFFFAOYSA-N 1 1 208.349 3.191 20 30 BGEDMO CCC[N@@H+](CCCC(C)(C)C#N)C(C)C ZINC000087608461 368895768 /nfs/dbraw/zinc/89/57/68/368895768.db2.gz ZCGLGCCOWJJBFU-UHFFFAOYSA-N 1 1 210.365 3.437 20 30 BGEDMO CCC[N@@H+](CCCC(C)(C)C#N)C1CC1 ZINC000087608462 535328582 /nfs/dbraw/zinc/32/85/82/535328582.db2.gz NDFVPLGBIAPXIV-UHFFFAOYSA-N 1 1 208.349 3.191 20 30 BGEDMO CC[N@@H+](CCCC(C)(C)C#N)CC(C)C ZINC000087608463 135158795 /nfs/dbraw/zinc/15/87/95/135158795.db2.gz RYTWSMVJRYZUSZ-UHFFFAOYSA-N 1 1 210.365 3.294 20 30 BGEDMO CC[C@@H](C)[N@@H+](CC)CCCC(C)(C)C#N ZINC000087608464 355402997 /nfs/dbraw/zinc/40/29/97/355402997.db2.gz DDBKVVFCCVACNV-GFCCVEGCSA-N 1 1 210.365 3.437 20 30 BGEDMO CC[C@H](C)[N@@H+](CC)CCCC(C)(C)C#N ZINC000087608465 355403015 /nfs/dbraw/zinc/40/30/15/355403015.db2.gz DDBKVVFCCVACNV-LBPRGKRZSA-N 1 1 210.365 3.437 20 30 BGEDMO CC[C@@H](C)C[N@@H+](C)CCCC(C)(C)C#N ZINC000087608467 135159222 /nfs/dbraw/zinc/15/92/22/135159222.db2.gz GHGZEHJKMVZVKQ-GFCCVEGCSA-N 1 1 210.365 3.294 20 30 BGEDMO CC[C@H](C)C[N@@H+](C)CCCC(C)(C)C#N ZINC000087608468 135158696 /nfs/dbraw/zinc/15/86/96/135158696.db2.gz GHGZEHJKMVZVKQ-LBPRGKRZSA-N 1 1 210.365 3.294 20 30 BGEDMO Cc1ccc(C[N@@H+](C)CCCC(C)(C)C#N)o1 ZINC000087608474 383853898 /nfs/dbraw/zinc/85/38/98/383853898.db2.gz JGWJEDWCNMYBMP-UHFFFAOYSA-N 1 1 234.343 3.350 20 30 BGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccco1 ZINC000087608475 383853365 /nfs/dbraw/zinc/85/33/65/383853365.db2.gz FPXPADZPMCJHRS-UHFFFAOYSA-N 1 1 220.316 3.041 20 30 BGEDMO C[C@@H](C1CC1)[N@@H+](C)CCCC(C)(C)C#N ZINC000087608488 368895122 /nfs/dbraw/zinc/89/51/22/368895122.db2.gz ROZJCZKFGAVEAJ-NSHDSACASA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@H](C1CC1)[N@@H+](C)CCCC(C)(C)C#N ZINC000087608489 368894951 /nfs/dbraw/zinc/89/49/51/368894951.db2.gz ROZJCZKFGAVEAJ-LLVKDONJSA-N 1 1 208.349 3.047 20 30 BGEDMO CC(C)[C@@H](C)[N@@H+](C)CCCC(C)(C)C#N ZINC000087608490 535158999 /nfs/dbraw/zinc/15/89/99/535158999.db2.gz JZWZBENISYHPEC-GFCCVEGCSA-N 1 1 210.365 3.293 20 30 BGEDMO CC(C)[C@H](C)[N@@H+](C)CCCC(C)(C)C#N ZINC000087608491 135159102 /nfs/dbraw/zinc/15/91/02/135159102.db2.gz JZWZBENISYHPEC-LBPRGKRZSA-N 1 1 210.365 3.293 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)CCCC(C)(C)C#N ZINC000087608493 384407918 /nfs/dbraw/zinc/40/79/18/384407918.db2.gz QXVHZESHEWJPDR-GFCCVEGCSA-N 1 1 210.365 3.437 20 30 BGEDMO CCC[C@H](C)[N@@H+](C)CCCC(C)(C)C#N ZINC000087608494 384408533 /nfs/dbraw/zinc/40/85/33/384408533.db2.gz QXVHZESHEWJPDR-LBPRGKRZSA-N 1 1 210.365 3.437 20 30 BGEDMO CC[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000087608496 135159316 /nfs/dbraw/zinc/15/93/16/135159316.db2.gz IAGJGAABMVNMBT-CYBMUJFWSA-N 1 1 222.376 3.438 20 30 BGEDMO CC[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000087608497 135158945 /nfs/dbraw/zinc/15/89/45/135158945.db2.gz IAGJGAABMVNMBT-ZDUSSCGKSA-N 1 1 222.376 3.438 20 30 BGEDMO CC[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000087608514 535820537 /nfs/dbraw/zinc/82/05/37/535820537.db2.gz PMBXHADXMQPCJQ-GFCCVEGCSA-N 1 1 208.349 3.191 20 30 BGEDMO CC[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000087608515 536071202 /nfs/dbraw/zinc/07/12/02/536071202.db2.gz PMBXHADXMQPCJQ-LBPRGKRZSA-N 1 1 208.349 3.191 20 30 BGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccoc1 ZINC000087608537 359919301 /nfs/dbraw/zinc/91/93/01/359919301.db2.gz XXDOZNNYZSSGFX-UHFFFAOYSA-N 1 1 220.316 3.041 20 30 BGEDMO Cc1occc1C[N@@H+](C)CCCC(C)(C)C#N ZINC000087608538 383853994 /nfs/dbraw/zinc/85/39/94/383853994.db2.gz XUPVPVIGJGOGRS-UHFFFAOYSA-N 1 1 234.343 3.350 20 30 BGEDMO CC(C)CC[N@@H+](C)CCCC(C)(C)C#N ZINC000087608543 355402861 /nfs/dbraw/zinc/40/28/61/355402861.db2.gz UWLSNLKXXUIODV-UHFFFAOYSA-N 1 1 210.365 3.294 20 30 BGEDMO CCC[N@@H+](CCCC(C)(C)C#N)CC1CC1 ZINC000087608560 383854340 /nfs/dbraw/zinc/85/43/40/383854340.db2.gz JHARNKCSEXDYDX-UHFFFAOYSA-N 1 1 222.376 3.438 20 30 BGEDMO CC[N@@H+](CCCC(C)(C)C#N)Cc1ccncc1 ZINC000087608570 135159043 /nfs/dbraw/zinc/15/90/43/135159043.db2.gz NXFLIKHWBVLGMP-UHFFFAOYSA-N 1 1 245.370 3.233 20 30 BGEDMO CC(C)C[N@@H+](CCCC(C)(C)C#N)C1CC1 ZINC000087608614 359920279 /nfs/dbraw/zinc/92/02/79/359920279.db2.gz VHXKGTBHYPPBPW-UHFFFAOYSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)[N@@H+](CCCC(C)(C)C#N)CC1CC1 ZINC000087608620 384981340 /nfs/dbraw/zinc/98/13/40/384981340.db2.gz MEWQMLKWCMOOOJ-UHFFFAOYSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)[C@@H]1C ZINC000087608679 359919803 /nfs/dbraw/zinc/91/98/03/359919803.db2.gz GFTORQHJWSNUDQ-CHWSQXEVSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCCC(C)(C)C#N ZINC000087608680 135509845 /nfs/dbraw/zinc/50/98/45/135509845.db2.gz GFTORQHJWSNUDQ-QWHCGFSZSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)[C@H](C)C1 ZINC000087608685 384408133 /nfs/dbraw/zinc/40/81/33/384408133.db2.gz HCNIIKQMBOOIQF-CHWSQXEVSA-N 1 1 222.376 3.437 20 30 BGEDMO C[N@@H+](CCCC(C)(C)C#N)CC1CCC1 ZINC000087608693 343654514 /nfs/dbraw/zinc/65/45/14/343654514.db2.gz ONTPAPQHANLKBU-UHFFFAOYSA-N 1 1 208.349 3.048 20 30 BGEDMO CC(C)(C#N)CCC[N@H+]1CCCC1(C)C ZINC000087608735 343654881 /nfs/dbraw/zinc/65/48/81/343654881.db2.gz MEQPHLMCLZLRLB-UHFFFAOYSA-N 1 1 208.349 3.191 20 30 BGEDMO C[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000087608752 135160164 /nfs/dbraw/zinc/16/01/64/135160164.db2.gz XIPBYSIWEPYVMN-CYBMUJFWSA-N 1 1 222.376 3.438 20 30 BGEDMO C[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000087608753 135160440 /nfs/dbraw/zinc/16/04/40/135160440.db2.gz XIPBYSIWEPYVMN-ZDUSSCGKSA-N 1 1 222.376 3.438 20 30 BGEDMO C[N@@H+](CCCC(C)(C)C#N)CC1CCCC1 ZINC000087608754 383854171 /nfs/dbraw/zinc/85/41/71/383854171.db2.gz CXQZRJQGDWBTKE-UHFFFAOYSA-N 1 1 222.376 3.438 20 30 BGEDMO CC[N@@H+](CCCC(C)(C)C#N)CC1CC1 ZINC000087608767 135160247 /nfs/dbraw/zinc/16/02/47/135160247.db2.gz UVIAUULHFKGOGE-UHFFFAOYSA-N 1 1 208.349 3.048 20 30 BGEDMO CCC(C)(C)[N@@H+](C)CCCC(C)(C)C#N ZINC000087608768 259327364 /nfs/dbraw/zinc/32/73/64/259327364.db2.gz PIAFCYKRWIYKBS-UHFFFAOYSA-N 1 1 210.365 3.437 20 30 BGEDMO CC(C)(C#N)CCC[N@H+]1CCCC(C)(C)C1 ZINC000087608772 534980216 /nfs/dbraw/zinc/98/02/16/534980216.db2.gz YQDLFYVSAYIPPV-UHFFFAOYSA-N 1 1 222.376 3.438 20 30 BGEDMO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@H](C)S1 ZINC000087608773 384979556 /nfs/dbraw/zinc/97/95/56/384979556.db2.gz HWBHSQGHWWTFNW-TXEJJXNPSA-N 1 1 240.416 3.142 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CCCC(C)(C)CC1 ZINC000087657842 534985990 /nfs/dbraw/zinc/98/59/90/534985990.db2.gz BNNGPKGAXJJHRS-UHFFFAOYSA-N 1 1 222.376 3.438 20 30 BGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000087770925 187286077 /nfs/dbraw/zinc/28/60/77/187286077.db2.gz PEZIOGGPLVQZGM-CVEARBPZSA-N 1 1 240.350 3.323 20 30 BGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000087770927 187453997 /nfs/dbraw/zinc/45/39/97/187453997.db2.gz PEZIOGGPLVQZGM-HOTGVXAUSA-N 1 1 240.350 3.323 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000087770961 181104561 /nfs/dbraw/zinc/10/45/61/181104561.db2.gz SPWJYZNRGDSGMX-CVEARBPZSA-N 1 1 240.350 3.323 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000087770963 181103822 /nfs/dbraw/zinc/10/38/22/181103822.db2.gz SPWJYZNRGDSGMX-HOTGVXAUSA-N 1 1 240.350 3.323 20 30 BGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000087770969 398303869 /nfs/dbraw/zinc/30/38/69/398303869.db2.gz ZIOSUOFBFPSZKK-CJNGLKHVSA-N 1 1 240.350 3.323 20 30 BGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000087770971 398303923 /nfs/dbraw/zinc/30/39/23/398303923.db2.gz ZIOSUOFBFPSZKK-BBRMVZONSA-N 1 1 240.350 3.323 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000087771019 359926806 /nfs/dbraw/zinc/92/68/06/359926806.db2.gz APFMQOGICGBZJZ-OLZOCXBDSA-N 1 1 220.360 3.191 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000087771021 359926759 /nfs/dbraw/zinc/92/67/59/359926759.db2.gz APFMQOGICGBZJZ-STQMWFEESA-N 1 1 220.360 3.191 20 30 BGEDMO CCCC[N@@H+](CC)Cc1ccc(OC)c(C#N)c1 ZINC000087833098 356027644 /nfs/dbraw/zinc/02/76/44/356027644.db2.gz FRNZUUTZMHPQRY-UHFFFAOYSA-N 1 1 246.354 3.189 20 30 BGEDMO CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)C(C)C ZINC000087833137 356014692 /nfs/dbraw/zinc/01/46/92/356014692.db2.gz TULPGXPLWGUNAJ-UHFFFAOYSA-N 1 1 246.354 3.187 20 30 BGEDMO CC[N@H+](Cc1ccc(OC)c(C#N)c1)CC(C)C ZINC000087833143 135173234 /nfs/dbraw/zinc/17/32/34/135173234.db2.gz FMZIQLDVGARVSC-UHFFFAOYSA-N 1 1 246.354 3.045 20 30 BGEDMO CC[C@@H](C)[N@@H+](CC)Cc1ccc(OC)c(C#N)c1 ZINC000087833144 356046487 /nfs/dbraw/zinc/04/64/87/356046487.db2.gz DECJQGLJCKBHCO-GFCCVEGCSA-N 1 1 246.354 3.187 20 30 BGEDMO CC[C@H](C)[N@@H+](CC)Cc1ccc(OC)c(C#N)c1 ZINC000087833145 356048614 /nfs/dbraw/zinc/04/86/14/356048614.db2.gz DECJQGLJCKBHCO-LBPRGKRZSA-N 1 1 246.354 3.187 20 30 BGEDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833147 356026966 /nfs/dbraw/zinc/02/69/66/356026966.db2.gz MFTUBHPUUVVKNV-GFCCVEGCSA-N 1 1 246.354 3.045 20 30 BGEDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833148 356029224 /nfs/dbraw/zinc/02/92/24/356029224.db2.gz MFTUBHPUUVVKNV-LBPRGKRZSA-N 1 1 246.354 3.045 20 30 BGEDMO COc1ccc(C[N@@H+](C)[C@H](C)C(C)C)cc1C#N ZINC000087833171 188144576 /nfs/dbraw/zinc/14/45/76/188144576.db2.gz XPKHZTIDLPVMFM-GFCCVEGCSA-N 1 1 246.354 3.043 20 30 BGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)cc1C#N ZINC000087833172 386782315 /nfs/dbraw/zinc/78/23/15/386782315.db2.gz XPKHZTIDLPVMFM-LBPRGKRZSA-N 1 1 246.354 3.043 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833174 356055887 /nfs/dbraw/zinc/05/58/87/356055887.db2.gz JLIVJDPQKVISDU-GFCCVEGCSA-N 1 1 246.354 3.187 20 30 BGEDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833175 356026573 /nfs/dbraw/zinc/02/65/73/356026573.db2.gz JLIVJDPQKVISDU-LBPRGKRZSA-N 1 1 246.354 3.187 20 30 BGEDMO COc1ccc(C[N@@H+](C)CCC(C)C)cc1C#N ZINC000087833224 356048595 /nfs/dbraw/zinc/04/85/95/356048595.db2.gz YKIFZRCOTOEVKR-UHFFFAOYSA-N 1 1 246.354 3.045 20 30 BGEDMO COc1ccc(C[N@@H+](C)CC(C)(C)C)cc1C#N ZINC000087833339 356030804 /nfs/dbraw/zinc/03/08/04/356030804.db2.gz BAUAGOMKRQPCMH-UHFFFAOYSA-N 1 1 246.354 3.045 20 30 BGEDMO CCC(C)(C)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833426 168285749 /nfs/dbraw/zinc/28/57/49/168285749.db2.gz QRIJGWOLJLQCRR-UHFFFAOYSA-N 1 1 246.354 3.187 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccccc1OC 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MJZYTAORBSHCMB-VXGBXAGGSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000088704616 356790645 /nfs/dbraw/zinc/79/06/45/356790645.db2.gz MJZYTAORBSHCMB-NWDGAFQWSA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000088836907 359980665 /nfs/dbraw/zinc/98/06/65/359980665.db2.gz IEWOEDXYXDHHSX-ZDUSSCGKSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000088836908 359980997 /nfs/dbraw/zinc/98/09/97/359980997.db2.gz IEWOEDXYXDHHSX-CYBMUJFWSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000088836913 385151903 /nfs/dbraw/zinc/15/19/03/385151903.db2.gz OWJKHJJAAWVIGJ-LBPRGKRZSA-N 1 1 208.349 3.047 20 30 BGEDMO CC(C)[C@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000088836914 343731755 /nfs/dbraw/zinc/73/17/55/343731755.db2.gz OWJKHJJAAWVIGJ-GFCCVEGCSA-N 1 1 208.349 3.047 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](C)CCc1nccs1 ZINC000089264261 345551937 /nfs/dbraw/zinc/55/19/37/345551937.db2.gz JZPVPNGKMOZZPA-LBPRGKRZSA-N 1 1 238.400 3.362 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](C)CCc1nccs1 ZINC000089264262 345552207 /nfs/dbraw/zinc/55/22/07/345552207.db2.gz JZPVPNGKMOZZPA-GFCCVEGCSA-N 1 1 238.400 3.362 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000089264712 345552139 /nfs/dbraw/zinc/55/21/39/345552139.db2.gz RWJSITCLLPYNLY-ZDUSSCGKSA-N 1 1 218.344 3.258 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000089264713 345552252 /nfs/dbraw/zinc/55/22/52/345552252.db2.gz RWJSITCLLPYNLY-CYBMUJFWSA-N 1 1 218.344 3.258 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](C)CCc1ccccn1 ZINC000089267568 345552818 /nfs/dbraw/zinc/55/28/18/345552818.db2.gz IQSDXWVCGQROBJ-AWEZNQCLSA-N 1 1 232.371 3.301 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](C)CCc1ccccn1 ZINC000089267569 345552941 /nfs/dbraw/zinc/55/29/41/345552941.db2.gz IQSDXWVCGQROBJ-CQSZACIVSA-N 1 1 232.371 3.301 20 30 BGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCSCC1 ZINC000089981367 176013428 /nfs/dbraw/zinc/01/34/28/176013428.db2.gz AGNLNAXXYPCMIY-LBPRGKRZSA-N 1 1 246.379 3.058 20 30 BGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCSCC1 ZINC000089981368 177033268 /nfs/dbraw/zinc/03/32/68/177033268.db2.gz AGNLNAXXYPCMIY-GFCCVEGCSA-N 1 1 246.379 3.058 20 30 BGEDMO N#CCC[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000090010698 388744141 /nfs/dbraw/zinc/74/41/41/388744141.db2.gz YZLFJCJXDIZZCH-INIZCTEOSA-N 1 1 242.366 3.387 20 30 BGEDMO N#CCC[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000090010699 388744346 /nfs/dbraw/zinc/74/43/46/388744346.db2.gz YZLFJCJXDIZZCH-MRXNPFEDSA-N 1 1 242.366 3.387 20 30 BGEDMO C=CCC[C@H](CC)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000090451820 384809476 /nfs/dbraw/zinc/80/94/76/384809476.db2.gz GKSOXFOORGHUHH-NEPJUHHUSA-N 1 1 241.375 3.051 20 30 BGEDMO C=CCC[C@@H](CC)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000090451821 384807733 /nfs/dbraw/zinc/80/77/33/384807733.db2.gz GKSOXFOORGHUHH-VXGBXAGGSA-N 1 1 241.375 3.051 20 30 BGEDMO C[N@H+](CCC#N)CCCSCc1ccccc1 ZINC000090551981 384059849 /nfs/dbraw/zinc/05/98/49/384059849.db2.gz IANPXHONOOYYTN-UHFFFAOYSA-N 1 1 248.395 3.155 20 30 BGEDMO C[N@@H+](CCC#N)CCCSCc1ccccc1 ZINC000090551981 384059845 /nfs/dbraw/zinc/05/98/45/384059845.db2.gz IANPXHONOOYYTN-UHFFFAOYSA-N 1 1 248.395 3.155 20 30 BGEDMO C=CCC[C@H](CC)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000090579046 384912451 /nfs/dbraw/zinc/91/24/51/384912451.db2.gz GKSOXFOORGHUHH-RYUDHWBXSA-N 1 1 241.375 3.051 20 30 BGEDMO C=CCC[C@@H](CC)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000090579048 384910629 /nfs/dbraw/zinc/91/06/29/384910629.db2.gz GKSOXFOORGHUHH-NWDGAFQWSA-N 1 1 241.375 3.051 20 30 BGEDMO N#CCCC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000090614977 398279739 /nfs/dbraw/zinc/27/97/39/398279739.db2.gz DEEPQAVSJQIGJL-UHFFFAOYSA-N 1 1 234.730 3.002 20 30 BGEDMO N#CCCC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000090614977 398279737 /nfs/dbraw/zinc/27/97/37/398279737.db2.gz DEEPQAVSJQIGJL-UHFFFAOYSA-N 1 1 234.730 3.002 20 30 BGEDMO C=C(C)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000090615033 388749455 /nfs/dbraw/zinc/74/94/55/388749455.db2.gz PAYVCMSBQWGTAD-UHFFFAOYSA-N 1 1 221.731 3.274 20 30 BGEDMO C=C(C)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000090615033 388749451 /nfs/dbraw/zinc/74/94/51/388749451.db2.gz PAYVCMSBQWGTAD-UHFFFAOYSA-N 1 1 221.731 3.274 20 30 BGEDMO C=C(C)C[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000090619046 388749239 /nfs/dbraw/zinc/74/92/39/388749239.db2.gz AFKUGOFXYQIHGG-AWEZNQCLSA-N 1 1 247.382 3.382 20 30 BGEDMO C=C(C)C[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000090619048 388748821 /nfs/dbraw/zinc/74/88/21/388748821.db2.gz AFKUGOFXYQIHGG-CQSZACIVSA-N 1 1 247.382 3.382 20 30 BGEDMO C=CCC[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000090620598 345573577 /nfs/dbraw/zinc/57/35/77/345573577.db2.gz INYZTTNEUUWFEE-AWEZNQCLSA-N 1 1 247.382 3.382 20 30 BGEDMO C=CCC[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000090620599 345573653 /nfs/dbraw/zinc/57/36/53/345573653.db2.gz INYZTTNEUUWFEE-CQSZACIVSA-N 1 1 247.382 3.382 20 30 BGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000090734449 256570727 /nfs/dbraw/zinc/57/07/27/256570727.db2.gz WUCLLSJHONKDPU-GASCZTMLSA-N 1 1 213.324 3.370 20 30 BGEDMO CC#CC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000090919519 259344529 /nfs/dbraw/zinc/34/45/29/259344529.db2.gz HZDXYGLDZLKATC-VIFPVBQESA-N 1 1 225.694 3.153 20 30 BGEDMO CC#CC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000090919520 259344435 /nfs/dbraw/zinc/34/44/35/259344435.db2.gz HZDXYGLDZLKATC-SECBINFHSA-N 1 1 225.694 3.153 20 30 BGEDMO C=CCCC[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000091081164 345578303 /nfs/dbraw/zinc/57/83/03/345578303.db2.gz CGRYBIYZXGBQET-ZDUSSCGKSA-N 1 1 233.359 3.130 20 30 BGEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000091081165 345577993 /nfs/dbraw/zinc/57/79/93/345577993.db2.gz CGRYBIYZXGBQET-CYBMUJFWSA-N 1 1 233.359 3.130 20 30 BGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccccc1C#N ZINC000091098232 388591132 /nfs/dbraw/zinc/59/11/32/388591132.db2.gz BHLFWCNXDLLDPO-AWEZNQCLSA-N 1 1 248.395 3.132 20 30 BGEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccccc1C#N ZINC000091098233 490256168 /nfs/dbraw/zinc/25/61/68/490256168.db2.gz BHLFWCNXDLLDPO-CQSZACIVSA-N 1 1 248.395 3.132 20 30 BGEDMO C=CCCC[N@H+](C)[C@@H](CC)CSC ZINC000091098419 345587124 /nfs/dbraw/zinc/58/71/24/345587124.db2.gz YODDUUYZUUXTEF-NSHDSACASA-N 1 1 201.379 3.026 20 30 BGEDMO C=CCCC[N@H+](C)[C@H](CC)CSC ZINC000091098420 345587364 /nfs/dbraw/zinc/58/73/64/345587364.db2.gz YODDUUYZUUXTEF-LLVKDONJSA-N 1 1 201.379 3.026 20 30 BGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000091098566 538727319 /nfs/dbraw/zinc/72/73/19/538727319.db2.gz SBINYHMLRDWEHH-AWEZNQCLSA-N 1 1 248.395 3.132 20 30 BGEDMO CC[C@H](CSC)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000091098567 398279770 /nfs/dbraw/zinc/27/97/70/398279770.db2.gz SBINYHMLRDWEHH-CQSZACIVSA-N 1 1 248.395 3.132 20 30 BGEDMO CC[C@@H](CSC)[N@@H+](C)CCCC(C)(C)C#N ZINC000091098768 384101583 /nfs/dbraw/zinc/10/15/83/384101583.db2.gz IMKGKOLDLWWROA-LBPRGKRZSA-N 1 1 242.432 3.390 20 30 BGEDMO CC[C@H](CSC)[N@@H+](C)CCCC(C)(C)C#N ZINC000091098769 384102469 /nfs/dbraw/zinc/10/24/69/384102469.db2.gz IMKGKOLDLWWROA-GFCCVEGCSA-N 1 1 242.432 3.390 20 30 BGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000091099329 398280045 /nfs/dbraw/zinc/28/00/45/398280045.db2.gz DHKPSFUTKRBOFC-AWEZNQCLSA-N 1 1 248.395 3.132 20 30 BGEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000091099330 398279683 /nfs/dbraw/zinc/27/96/83/398279683.db2.gz DHKPSFUTKRBOFC-CQSZACIVSA-N 1 1 248.395 3.132 20 30 BGEDMO C=CCCC[C@H](C)[NH+]1CCN(CC(C)C)CC1 ZINC000091506356 364669381 /nfs/dbraw/zinc/66/93/81/364669381.db2.gz SMILZJCIBVRGBW-HNNXBMFYSA-N 1 1 238.419 3.005 20 30 BGEDMO C=CCCC[C@@H](C)[NH+]1CCN(CC(C)C)CC1 ZINC000091506357 345595632 /nfs/dbraw/zinc/59/56/32/345595632.db2.gz SMILZJCIBVRGBW-OAHLLOKOSA-N 1 1 238.419 3.005 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1cc(C)on1 ZINC000091508389 345595740 /nfs/dbraw/zinc/59/57/40/345595740.db2.gz ODUDDIGQUDJMDO-NSHDSACASA-N 1 1 222.332 3.160 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1cc(C)on1 ZINC000091508391 345595758 /nfs/dbraw/zinc/59/57/58/345595758.db2.gz ODUDDIGQUDJMDO-LLVKDONJSA-N 1 1 222.332 3.160 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000091509282 345596325 /nfs/dbraw/zinc/59/63/25/345596325.db2.gz KNICVGBMOVNKLK-KBPBESRZSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000091509283 345596672 /nfs/dbraw/zinc/59/66/72/345596672.db2.gz KNICVGBMOVNKLK-KGLIPLIRSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000091510034 345596601 /nfs/dbraw/zinc/59/66/01/345596601.db2.gz XJQGUCLGHPKMTD-STQMWFEESA-N 1 1 208.349 3.213 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000091510036 345596731 /nfs/dbraw/zinc/59/67/31/345596731.db2.gz XJQGUCLGHPKMTD-OLZOCXBDSA-N 1 1 208.349 3.213 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](COC)C1 ZINC000091511521 345596667 /nfs/dbraw/zinc/59/66/67/345596667.db2.gz AVAUUISAUUMGCZ-KBPBESRZSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](COC)C1 ZINC000091511524 345596178 /nfs/dbraw/zinc/59/61/78/345596178.db2.gz AVAUUISAUUMGCZ-KGLIPLIRSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](OCC)C1 ZINC000091512031 541344298 /nfs/dbraw/zinc/34/42/98/541344298.db2.gz PWJYIPASJUCNCM-UONOGXRCSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](OCC)C1 ZINC000091512033 541344469 /nfs/dbraw/zinc/34/44/69/541344469.db2.gz PWJYIPASJUCNCM-KBPBESRZSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1nccs1 ZINC000091512882 345596400 /nfs/dbraw/zinc/59/64/00/345596400.db2.gz KOLBOSNWFVNHBD-NSHDSACASA-N 1 1 224.373 3.320 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1nccs1 ZINC000091512884 345596572 /nfs/dbraw/zinc/59/65/72/345596572.db2.gz KOLBOSNWFVNHBD-LLVKDONJSA-N 1 1 224.373 3.320 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](CC)C[C@@H]1CCOC1 ZINC000091540422 491130953 /nfs/dbraw/zinc/13/09/53/491130953.db2.gz FYUGGEWZNWSQCV-KBPBESRZSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](CC)C[C@H]1CCOC1 ZINC000091540424 491099282 /nfs/dbraw/zinc/09/92/82/491099282.db2.gz FYUGGEWZNWSQCV-UONOGXRCSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000091552116 345597528 /nfs/dbraw/zinc/59/75/28/345597528.db2.gz PGIPQFLHSISYQU-KBPBESRZSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](CC)C[C@H]1CCCO1 ZINC000091552117 345597616 /nfs/dbraw/zinc/59/76/16/345597616.db2.gz PGIPQFLHSISYQU-UONOGXRCSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000091554150 345598357 /nfs/dbraw/zinc/59/83/57/345598357.db2.gz NKPPLBBSEJPICH-GJZGRUSLSA-N 1 1 247.386 3.265 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000091554152 345598545 /nfs/dbraw/zinc/59/85/45/345598545.db2.gz NKPPLBBSEJPICH-CABCVRRESA-N 1 1 247.386 3.265 20 30 BGEDMO C=CCCC[C@H](C)[N@H+](CC)CCOCC ZINC000091559295 345598404 /nfs/dbraw/zinc/59/84/04/345598404.db2.gz XMHLDFOSFYJWFF-ZDUSSCGKSA-N 1 1 213.365 3.090 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+](CC)CCOCC ZINC000091559296 345598754 /nfs/dbraw/zinc/59/87/54/345598754.db2.gz XMHLDFOSFYJWFF-CYBMUJFWSA-N 1 1 213.365 3.090 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](COCC)C1 ZINC000091577666 345598644 /nfs/dbraw/zinc/59/86/44/345598644.db2.gz GUGJLVYRTJPRGE-LSDHHAIUSA-N 1 1 239.403 3.480 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](COCC)C1 ZINC000091577668 345598686 /nfs/dbraw/zinc/59/86/86/345598686.db2.gz GUGJLVYRTJPRGE-GJZGRUSLSA-N 1 1 239.403 3.480 20 30 BGEDMO C=CCCC[C@H](C)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000091587805 345599352 /nfs/dbraw/zinc/59/93/52/345599352.db2.gz NIHZHMYKZXNDRD-LSDHHAIUSA-N 1 1 238.419 3.147 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](N(CC)CC)C1 ZINC000091587805 345599351 /nfs/dbraw/zinc/59/93/51/345599351.db2.gz NIHZHMYKZXNDRD-LSDHHAIUSA-N 1 1 238.419 3.147 20 30 BGEDMO C=CCCC[C@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000091587806 345599592 /nfs/dbraw/zinc/59/95/92/345599592.db2.gz NIHZHMYKZXNDRD-GJZGRUSLSA-N 1 1 238.419 3.147 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](N(CC)CC)C1 ZINC000091587806 345599591 /nfs/dbraw/zinc/59/95/91/345599591.db2.gz NIHZHMYKZXNDRD-GJZGRUSLSA-N 1 1 238.419 3.147 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](COCC)C1 ZINC000091589117 345600174 /nfs/dbraw/zinc/60/01/74/345600174.db2.gz RYHGMYPQWVDWGT-UONOGXRCSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](COCC)C1 ZINC000091589118 345600340 /nfs/dbraw/zinc/60/03/40/345600340.db2.gz RYHGMYPQWVDWGT-KBPBESRZSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000091590799 345600156 /nfs/dbraw/zinc/60/01/56/345600156.db2.gz HJIMDEBCUXGSDC-ZFWWWQNUSA-N 1 1 249.354 3.398 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000091590800 345600306 /nfs/dbraw/zinc/60/03/06/345600306.db2.gz HJIMDEBCUXGSDC-HIFRSBDPSA-N 1 1 249.354 3.398 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](C)CCOCC1CC1 ZINC000091591113 345600177 /nfs/dbraw/zinc/60/01/77/345600177.db2.gz VXBIHQMQLYLZTE-ZDUSSCGKSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](C)CCOCC1CC1 ZINC000091591114 345600284 /nfs/dbraw/zinc/60/02/84/345600284.db2.gz VXBIHQMQLYLZTE-CYBMUJFWSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[C@H](C)[N@H+](C)CCSC ZINC000091593122 345600510 /nfs/dbraw/zinc/60/05/10/345600510.db2.gz JQTNJHIQZQELQV-NSHDSACASA-N 1 1 201.379 3.026 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+](C)CCSC ZINC000091593124 343951383 /nfs/dbraw/zinc/95/13/83/343951383.db2.gz JQTNJHIQZQELQV-LLVKDONJSA-N 1 1 201.379 3.026 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](C)CCCn1ccnc1C ZINC000091632262 345602770 /nfs/dbraw/zinc/60/27/70/345602770.db2.gz UNRNIJOXGAEXSM-AWEZNQCLSA-N 1 1 249.402 3.258 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](C)CCCn1ccnc1C ZINC000091632263 345602625 /nfs/dbraw/zinc/60/26/25/345602625.db2.gz UNRNIJOXGAEXSM-CQSZACIVSA-N 1 1 249.402 3.258 20 30 BGEDMO CC[C@@H](C)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000091796772 360130917 /nfs/dbraw/zinc/13/09/17/360130917.db2.gz NWVUWJREAHZLEW-SNVBAGLBSA-N 1 1 222.357 3.098 20 30 BGEDMO CC[C@H](C)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000091796776 371066988 /nfs/dbraw/zinc/06/69/88/371066988.db2.gz NWVUWJREAHZLEW-JTQLQIEISA-N 1 1 222.357 3.098 20 30 BGEDMO CC[C@@H](C)C[N@@H+](C)CC(C)(C)CCC#N ZINC000091796910 360130526 /nfs/dbraw/zinc/13/05/26/360130526.db2.gz BMVDGSFTKNNJCN-GFCCVEGCSA-N 1 1 210.365 3.294 20 30 BGEDMO CC[C@H](C)C[N@@H+](C)CC(C)(C)CCC#N ZINC000091796913 360131113 /nfs/dbraw/zinc/13/11/13/360131113.db2.gz BMVDGSFTKNNJCN-LBPRGKRZSA-N 1 1 210.365 3.294 20 30 BGEDMO C=CC[N@@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000091800798 360131790 /nfs/dbraw/zinc/13/17/90/360131790.db2.gz QOKZPBKNOVQLJW-UHFFFAOYSA-N 1 1 243.350 3.360 20 30 BGEDMO Cc1noc(C)c1C[N@H+](C)CC(C)(C)CCC#N ZINC000091814681 643988298 /nfs/dbraw/zinc/98/82/98/643988298.db2.gz XNUDRJWCGGIRCZ-UHFFFAOYSA-N 1 1 249.358 3.053 20 30 BGEDMO C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)[C@@H]1C ZINC000091860585 360132944 /nfs/dbraw/zinc/13/29/44/360132944.db2.gz SZHMFLIKSFFFAS-VXGBXAGGSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@@H]1[C@@H](C)CC[N@H+]1CC(C)(C)CCC#N ZINC000091860588 360133022 /nfs/dbraw/zinc/13/30/22/360133022.db2.gz SZHMFLIKSFFFAS-NWDGAFQWSA-N 1 1 208.349 3.047 20 30 BGEDMO C=CCCC[N@H+]1CCc2cc(F)ccc2C1 ZINC000091892809 345611601 /nfs/dbraw/zinc/61/16/01/345611601.db2.gz VMFAXZDVQSRMNX-UHFFFAOYSA-N 1 1 219.303 3.150 20 30 BGEDMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000091893322 176174295 /nfs/dbraw/zinc/17/42/95/176174295.db2.gz MOXDGXRHINTNLN-VXGBXAGGSA-N 1 1 232.327 3.019 20 30 BGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C[C@H](C)C1 ZINC000091893324 177164056 /nfs/dbraw/zinc/16/40/56/177164056.db2.gz MOXDGXRHINTNLN-NWDGAFQWSA-N 1 1 232.327 3.019 20 30 BGEDMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000091893455 371068502 /nfs/dbraw/zinc/06/85/02/371068502.db2.gz RHNXDIXLITVHHH-VXGBXAGGSA-N 1 1 248.395 3.488 20 30 BGEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C[C@H](C)C1 ZINC000091893456 371068709 /nfs/dbraw/zinc/06/87/09/371068709.db2.gz RHNXDIXLITVHHH-NWDGAFQWSA-N 1 1 248.395 3.488 20 30 BGEDMO C[C@H]([N@@H+](C)Cc1cc(C#N)cs1)C1(C)CC1 ZINC000091900918 350749817 /nfs/dbraw/zinc/74/98/17/350749817.db2.gz RQYHTXNNMLGNJO-JTQLQIEISA-N 1 1 234.368 3.240 20 30 BGEDMO C[C@@H]([N@@H+](C)Cc1cc(C#N)cs1)C1(C)CC1 ZINC000091900919 350749468 /nfs/dbraw/zinc/74/94/68/350749468.db2.gz RQYHTXNNMLGNJO-SNVBAGLBSA-N 1 1 234.368 3.240 20 30 BGEDMO C[C@H]([N@@H+](C)CC(C)(C)CCC#N)C1(C)CC1 ZINC000091901044 360135216 /nfs/dbraw/zinc/13/52/16/360135216.db2.gz XGEWQARLUGBDFO-LBPRGKRZSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C1(C)CC1 ZINC000091901046 360135368 /nfs/dbraw/zinc/13/53/68/360135368.db2.gz XGEWQARLUGBDFO-GFCCVEGCSA-N 1 1 222.376 3.437 20 30 BGEDMO CC[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000091919602 371070133 /nfs/dbraw/zinc/07/01/33/371070133.db2.gz SYVRCLZSGYWQGX-LLVKDONJSA-N 1 1 234.368 3.242 20 30 BGEDMO CC[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000091919603 343483344 /nfs/dbraw/zinc/48/33/44/343483344.db2.gz SYVRCLZSGYWQGX-NSHDSACASA-N 1 1 234.368 3.242 20 30 BGEDMO CC[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000091919662 360136169 /nfs/dbraw/zinc/13/61/69/360136169.db2.gz MARXPZSZPVIHHC-CYBMUJFWSA-N 1 1 222.376 3.438 20 30 BGEDMO CC[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000091919663 360136741 /nfs/dbraw/zinc/13/67/41/360136741.db2.gz MARXPZSZPVIHHC-ZDUSSCGKSA-N 1 1 222.376 3.438 20 30 BGEDMO CC[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000091930474 360137934 /nfs/dbraw/zinc/13/79/34/360137934.db2.gz LULSERMPMIAGJB-GFCCVEGCSA-N 1 1 208.349 3.048 20 30 BGEDMO CC[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000091930484 360137221 /nfs/dbraw/zinc/13/72/21/360137221.db2.gz LULSERMPMIAGJB-LBPRGKRZSA-N 1 1 208.349 3.048 20 30 BGEDMO C[N@@H+](Cc1ccccc1O)CC(C)(C)CCC#N ZINC000091974762 644644988 /nfs/dbraw/zinc/64/49/88/644644988.db2.gz HLFZOPBMZYYSJJ-UHFFFAOYSA-N 1 1 246.354 3.154 20 30 BGEDMO CCOc1cccc(C[N@@H+](CC)C[C@@H](C)C#N)c1 ZINC000091982233 360141568 /nfs/dbraw/zinc/14/15/68/360141568.db2.gz GQMHIAZFRXYKKR-ZDUSSCGKSA-N 1 1 246.354 3.067 20 30 BGEDMO CCOc1cccc(C[N@H+](CC)C[C@@H](C)C#N)c1 ZINC000091982233 360141566 /nfs/dbraw/zinc/14/15/66/360141566.db2.gz GQMHIAZFRXYKKR-ZDUSSCGKSA-N 1 1 246.354 3.067 20 30 BGEDMO CCOc1cccc(C[N@@H+](CC)C[C@H](C)C#N)c1 ZINC000091982234 360141472 /nfs/dbraw/zinc/14/14/72/360141472.db2.gz GQMHIAZFRXYKKR-CYBMUJFWSA-N 1 1 246.354 3.067 20 30 BGEDMO CCOc1cccc(C[N@H+](CC)C[C@H](C)C#N)c1 ZINC000091982234 360141466 /nfs/dbraw/zinc/14/14/66/360141466.db2.gz GQMHIAZFRXYKKR-CYBMUJFWSA-N 1 1 246.354 3.067 20 30 BGEDMO CC[N@H+](Cc1coc2ccccc12)C[C@@H](C)C#N ZINC000091982736 360140932 /nfs/dbraw/zinc/14/09/32/360140932.db2.gz WBHHJHHPHLCXOK-LBPRGKRZSA-N 1 1 242.322 3.414 20 30 BGEDMO CC[N@@H+](Cc1coc2ccccc12)C[C@@H](C)C#N ZINC000091982736 360140928 /nfs/dbraw/zinc/14/09/28/360140928.db2.gz WBHHJHHPHLCXOK-LBPRGKRZSA-N 1 1 242.322 3.414 20 30 BGEDMO CC[N@H+](Cc1coc2ccccc12)C[C@H](C)C#N ZINC000091982737 360141662 /nfs/dbraw/zinc/14/16/62/360141662.db2.gz WBHHJHHPHLCXOK-GFCCVEGCSA-N 1 1 242.322 3.414 20 30 BGEDMO CC[N@@H+](Cc1coc2ccccc12)C[C@H](C)C#N ZINC000091982737 360141659 /nfs/dbraw/zinc/14/16/59/360141659.db2.gz WBHHJHHPHLCXOK-GFCCVEGCSA-N 1 1 242.322 3.414 20 30 BGEDMO CC[N@H+](Cc1ccc(C)s1)C[C@@H](C)C#N ZINC000091982828 360138975 /nfs/dbraw/zinc/13/89/75/360138975.db2.gz MWVOEZFTEFFLMW-JTQLQIEISA-N 1 1 222.357 3.038 20 30 BGEDMO CC[N@@H+](Cc1ccc(C)s1)C[C@@H](C)C#N ZINC000091982828 360138974 /nfs/dbraw/zinc/13/89/74/360138974.db2.gz MWVOEZFTEFFLMW-JTQLQIEISA-N 1 1 222.357 3.038 20 30 BGEDMO CC[N@H+](Cc1ccc(C)s1)C[C@H](C)C#N ZINC000091982829 360138980 /nfs/dbraw/zinc/13/89/80/360138980.db2.gz MWVOEZFTEFFLMW-SNVBAGLBSA-N 1 1 222.357 3.038 20 30 BGEDMO CC[N@@H+](Cc1ccc(C)s1)C[C@H](C)C#N ZINC000091982829 360138979 /nfs/dbraw/zinc/13/89/79/360138979.db2.gz MWVOEZFTEFFLMW-SNVBAGLBSA-N 1 1 222.357 3.038 20 30 BGEDMO CC[N@H+](Cc1cccc(C)c1C)C[C@@H](C)C#N ZINC000091983091 360140968 /nfs/dbraw/zinc/14/09/68/360140968.db2.gz HBATZQOHUGXERK-LBPRGKRZSA-N 1 1 230.355 3.285 20 30 BGEDMO CC[N@@H+](Cc1cccc(C)c1C)C[C@@H](C)C#N ZINC000091983091 360140966 /nfs/dbraw/zinc/14/09/66/360140966.db2.gz HBATZQOHUGXERK-LBPRGKRZSA-N 1 1 230.355 3.285 20 30 BGEDMO CC[N@H+](Cc1cccc(C)c1C)C[C@H](C)C#N ZINC000091983095 360141205 /nfs/dbraw/zinc/14/12/05/360141205.db2.gz HBATZQOHUGXERK-GFCCVEGCSA-N 1 1 230.355 3.285 20 30 BGEDMO CC[N@@H+](Cc1cccc(C)c1C)C[C@H](C)C#N ZINC000091983095 360141202 /nfs/dbraw/zinc/14/12/02/360141202.db2.gz HBATZQOHUGXERK-GFCCVEGCSA-N 1 1 230.355 3.285 20 30 BGEDMO CC[N@H+](Cc1ccc(F)c(C)c1)C[C@@H](C)C#N ZINC000091983117 360140954 /nfs/dbraw/zinc/14/09/54/360140954.db2.gz IKCHTWNTFGUNLO-NSHDSACASA-N 1 1 234.318 3.116 20 30 BGEDMO CC[N@@H+](Cc1ccc(F)c(C)c1)C[C@@H](C)C#N ZINC000091983117 360140949 /nfs/dbraw/zinc/14/09/49/360140949.db2.gz IKCHTWNTFGUNLO-NSHDSACASA-N 1 1 234.318 3.116 20 30 BGEDMO CC[N@H+](Cc1ccc(F)c(C)c1)C[C@H](C)C#N ZINC000091983119 360141097 /nfs/dbraw/zinc/14/10/97/360141097.db2.gz IKCHTWNTFGUNLO-LLVKDONJSA-N 1 1 234.318 3.116 20 30 BGEDMO CC[N@@H+](Cc1ccc(F)c(C)c1)C[C@H](C)C#N ZINC000091983119 360141092 /nfs/dbraw/zinc/14/10/92/360141092.db2.gz IKCHTWNTFGUNLO-LLVKDONJSA-N 1 1 234.318 3.116 20 30 BGEDMO CC[N@H+](Cc1ccc(C)cc1C)C[C@@H](C)C#N ZINC000091983355 360141838 /nfs/dbraw/zinc/14/18/38/360141838.db2.gz RUTGQYDGGNLRQP-ZDUSSCGKSA-N 1 1 230.355 3.285 20 30 BGEDMO CC[N@@H+](Cc1ccc(C)cc1C)C[C@@H](C)C#N ZINC000091983355 360141832 /nfs/dbraw/zinc/14/18/32/360141832.db2.gz RUTGQYDGGNLRQP-ZDUSSCGKSA-N 1 1 230.355 3.285 20 30 BGEDMO CC[N@H+](Cc1ccc(C)cc1C)C[C@H](C)C#N ZINC000091983357 360141409 /nfs/dbraw/zinc/14/14/09/360141409.db2.gz RUTGQYDGGNLRQP-CYBMUJFWSA-N 1 1 230.355 3.285 20 30 BGEDMO CC[N@@H+](Cc1ccc(C)cc1C)C[C@H](C)C#N ZINC000091983357 360141401 /nfs/dbraw/zinc/14/14/01/360141401.db2.gz RUTGQYDGGNLRQP-CYBMUJFWSA-N 1 1 230.355 3.285 20 30 BGEDMO CC[N@H+](Cc1ccc(F)cc1C)C[C@@H](C)C#N ZINC000091983452 360141763 /nfs/dbraw/zinc/14/17/63/360141763.db2.gz NJINMRWYEVZRHM-NSHDSACASA-N 1 1 234.318 3.116 20 30 BGEDMO CC[N@@H+](Cc1ccc(F)cc1C)C[C@@H](C)C#N ZINC000091983452 360141758 /nfs/dbraw/zinc/14/17/58/360141758.db2.gz NJINMRWYEVZRHM-NSHDSACASA-N 1 1 234.318 3.116 20 30 BGEDMO 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ODDSBDVOXHNALJ-LGMDPLHJSA-N 1 1 239.318 3.444 20 30 BGEDMO CCCCCCC[N@@H+](CCC)C1CCNCC1 ZINC000103061238 582782782 /nfs/dbraw/zinc/78/27/82/582782782.db2.gz LBMPKUBJIYLBHM-UHFFFAOYSA-N 1 1 240.435 3.421 20 30 BGEDMO CCCCCCC[N@H+](CCC)C1CCNCC1 ZINC000103061238 582782780 /nfs/dbraw/zinc/78/27/80/582782780.db2.gz LBMPKUBJIYLBHM-UHFFFAOYSA-N 1 1 240.435 3.421 20 30 BGEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000103138513 357995382 /nfs/dbraw/zinc/99/53/82/357995382.db2.gz MRUZKAAEKARRTP-OAHLLOKOSA-N 1 1 246.329 3.462 20 30 BGEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000103138514 387369870 /nfs/dbraw/zinc/36/98/70/387369870.db2.gz MRUZKAAEKARRTP-HNNXBMFYSA-N 1 1 246.329 3.462 20 30 BGEDMO C[N@@H+](Cc1ccc(F)cc1C#N)C1CCCCC1 ZINC000103138522 387369203 /nfs/dbraw/zinc/36/92/03/387369203.db2.gz TVWXKRDTHLPXAN-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000103138565 177314435 /nfs/dbraw/zinc/31/44/35/177314435.db2.gz SLCJXSLXQCGOEQ-TXEJJXNPSA-N 1 1 246.329 3.175 20 30 BGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000103138620 176074154 /nfs/dbraw/zinc/07/41/54/176074154.db2.gz PKBOIASWORQIQI-LLVKDONJSA-N 1 1 232.302 3.072 20 30 BGEDMO C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000103138620 176074153 /nfs/dbraw/zinc/07/41/53/176074153.db2.gz PKBOIASWORQIQI-LLVKDONJSA-N 1 1 232.302 3.072 20 30 BGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000103138621 177077469 /nfs/dbraw/zinc/07/74/69/177077469.db2.gz PKBOIASWORQIQI-NSHDSACASA-N 1 1 232.302 3.072 20 30 BGEDMO C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000103138621 177077468 /nfs/dbraw/zinc/07/74/68/177077468.db2.gz PKBOIASWORQIQI-NSHDSACASA-N 1 1 232.302 3.072 20 30 BGEDMO CCCC[N@@H+](CC)Cc1ccc(F)cc1C#N ZINC000103139795 387369324 /nfs/dbraw/zinc/36/93/24/387369324.db2.gz HLGBNVJWDZEWOW-UHFFFAOYSA-N 1 1 234.318 3.319 20 30 BGEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000103140077 357995111 /nfs/dbraw/zinc/99/51/11/357995111.db2.gz UMKHGDBUUJHCDW-GFCCVEGCSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000103140080 387369760 /nfs/dbraw/zinc/36/97/60/387369760.db2.gz UMKHGDBUUJHCDW-LBPRGKRZSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)C1CCCC1 ZINC000103140701 357999430 /nfs/dbraw/zinc/99/94/30/357999430.db2.gz VEIDDTVLXGWXEI-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO CC(C)CC[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000103141079 585062492 /nfs/dbraw/zinc/06/24/92/585062492.db2.gz LHAXGCRGACINKI-UHFFFAOYSA-N 1 1 234.318 3.175 20 30 BGEDMO C[N@H+](Cc1ccc(F)cc1C#N)CC1CCCC1 ZINC000103141804 384594290 /nfs/dbraw/zinc/59/42/90/384594290.db2.gz OOEYBVRBBGRVBE-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO C[N@@H+](Cc1ccc(F)cc1C#N)CC(C)(C)C ZINC000103142438 387371265 /nfs/dbraw/zinc/37/12/65/387371265.db2.gz KWKCUPNHAOUSQA-UHFFFAOYSA-N 1 1 234.318 3.175 20 30 BGEDMO COc1ccc(C[N@@H+](C)CCCCC#N)cc1C ZINC000103144289 384597790 /nfs/dbraw/zinc/59/77/90/384597790.db2.gz AFSFTOTWEWYQEL-UHFFFAOYSA-N 1 1 246.354 3.129 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000103145097 384596133 /nfs/dbraw/zinc/59/61/33/384596133.db2.gz BAUMUPXCIDXZOX-UHFFFAOYSA-N 1 1 219.328 3.012 20 30 BGEDMO CCC[N@H+](Cc1ccc(F)cc1C#N)CC1CC1 ZINC000103225549 169175915 /nfs/dbraw/zinc/17/59/15/169175915.db2.gz HVWOMDPKZAULAA-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO C=CC[N@H+](CCCCCOC)Cc1ccccc1 ZINC000103225692 136214728 /nfs/dbraw/zinc/21/47/28/136214728.db2.gz JFXZOYJUJOQMLX-UHFFFAOYSA-N 1 1 247.382 3.491 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1ccc(F)cc1C#N ZINC000103225971 136214834 /nfs/dbraw/zinc/21/48/34/136214834.db2.gz ILPHZEBHKJKWJG-UHFFFAOYSA-N 1 1 232.302 3.095 20 30 BGEDMO C=C(C)C[N@@H+](CC)Cc1ccc(F)cc1C#N ZINC000103225971 136214833 /nfs/dbraw/zinc/21/48/33/136214833.db2.gz ILPHZEBHKJKWJG-UHFFFAOYSA-N 1 1 232.302 3.095 20 30 BGEDMO CC[N@H+](Cc1ccc(F)cc1C#N)CC(C)C ZINC000103226317 358010954 /nfs/dbraw/zinc/01/09/54/358010954.db2.gz RZYMCCLWDJKYGQ-UHFFFAOYSA-N 1 1 234.318 3.175 20 30 BGEDMO C=C(Cl)C[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000103228920 585074691 /nfs/dbraw/zinc/07/46/91/585074691.db2.gz DLYUDBWNEUPPKX-UHFFFAOYSA-N 1 1 239.746 3.188 20 30 BGEDMO C=C(Cl)C[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000103228920 585074690 /nfs/dbraw/zinc/07/46/90/585074690.db2.gz DLYUDBWNEUPPKX-UHFFFAOYSA-N 1 1 239.746 3.188 20 30 BGEDMO CCCCCCC[NH2+]C1CCN(CC)CC1 ZINC000103317237 191065788 /nfs/dbraw/zinc/06/57/88/191065788.db2.gz FVGHTCFPMTYYFU-UHFFFAOYSA-N 1 1 226.408 3.031 20 30 BGEDMO CCCCCCCC[NH2+]C1CCN(CC)CC1 ZINC000103317240 520036106 /nfs/dbraw/zinc/03/61/06/520036106.db2.gz HTFAKVSODWEJEK-UHFFFAOYSA-N 1 1 240.435 3.421 20 30 BGEDMO CCCCCCCC[NH2+]Cc1cn[nH]c1C ZINC000103325886 633150519 /nfs/dbraw/zinc/15/05/19/633150519.db2.gz HXCQKUTZTQYPPO-UHFFFAOYSA-N 1 1 223.364 3.168 20 30 BGEDMO N#CCCCC[N@@H+](C1CC1)C1CCCC1 ZINC000103465949 358061075 /nfs/dbraw/zinc/06/10/75/358061075.db2.gz YMQIEULGIUSOIH-UHFFFAOYSA-N 1 1 206.333 3.087 20 30 BGEDMO N#CCC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000103469703 384774529 /nfs/dbraw/zinc/77/45/29/384774529.db2.gz FMUCCXUNNJGIIE-INIZCTEOSA-N 1 1 240.350 3.442 20 30 BGEDMO N#CCC[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000103469703 384774524 /nfs/dbraw/zinc/77/45/24/384774524.db2.gz FMUCCXUNNJGIIE-INIZCTEOSA-N 1 1 240.350 3.442 20 30 BGEDMO N#CCC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000103469704 384774814 /nfs/dbraw/zinc/77/48/14/384774814.db2.gz FMUCCXUNNJGIIE-MRXNPFEDSA-N 1 1 240.350 3.442 20 30 BGEDMO N#CCC[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000103469704 384774809 /nfs/dbraw/zinc/77/48/09/384774809.db2.gz FMUCCXUNNJGIIE-MRXNPFEDSA-N 1 1 240.350 3.442 20 30 BGEDMO N#CCC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000103469753 384633160 /nfs/dbraw/zinc/63/31/60/384633160.db2.gz PBJAYZIDTBCIFW-HNNXBMFYSA-N 1 1 226.323 3.052 20 30 BGEDMO N#CCC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000103469753 384633154 /nfs/dbraw/zinc/63/31/54/384633154.db2.gz PBJAYZIDTBCIFW-HNNXBMFYSA-N 1 1 226.323 3.052 20 30 BGEDMO N#CCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000103469754 384634634 /nfs/dbraw/zinc/63/46/34/384634634.db2.gz PBJAYZIDTBCIFW-OAHLLOKOSA-N 1 1 226.323 3.052 20 30 BGEDMO N#CCC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000103469754 384634628 /nfs/dbraw/zinc/63/46/28/384634628.db2.gz PBJAYZIDTBCIFW-OAHLLOKOSA-N 1 1 226.323 3.052 20 30 BGEDMO C=C(C)C[N@H+](CCC)Cc1ccccc1O ZINC000103479551 136332277 /nfs/dbraw/zinc/33/22/77/136332277.db2.gz VBJYLPKIVVXCNB-UHFFFAOYSA-N 1 1 219.328 3.180 20 30 BGEDMO CCCCCCCCCC[N@H+]1CC[C@H](CO)C1 ZINC000103536678 585335246 /nfs/dbraw/zinc/33/52/46/585335246.db2.gz WAULROMBKSUABM-HNNXBMFYSA-N 1 1 241.419 3.441 20 30 BGEDMO CCCCCCCCCC[N@H+]1CC[C@@H](CO)C1 ZINC000103536683 585335344 /nfs/dbraw/zinc/33/53/44/585335344.db2.gz WAULROMBKSUABM-OAHLLOKOSA-N 1 1 241.419 3.441 20 30 BGEDMO CCCCCCC[C@@H](C)[NH2+]Cc1ccn[nH]1 ZINC000104246482 587950544 /nfs/dbraw/zinc/95/05/44/587950544.db2.gz WNXDFBXZUSSZSX-GFCCVEGCSA-N 1 1 223.364 3.248 20 30 BGEDMO CCCCCCC[C@H](C)[NH2+]Cc1ccn[nH]1 ZINC000104246484 587950529 /nfs/dbraw/zinc/95/05/29/587950529.db2.gz WNXDFBXZUSSZSX-LBPRGKRZSA-N 1 1 223.364 3.248 20 30 BGEDMO C#CCC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000104356857 166134364 /nfs/dbraw/zinc/13/43/64/166134364.db2.gz ZGCMASSPCORQGS-NSHDSACASA-N 1 1 221.731 3.356 20 30 BGEDMO C#CCC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000104356862 166134463 /nfs/dbraw/zinc/13/44/63/166134463.db2.gz ZGCMASSPCORQGS-LLVKDONJSA-N 1 1 221.731 3.356 20 30 BGEDMO CC[C@H](C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000104686462 171309966 /nfs/dbraw/zinc/30/99/66/171309966.db2.gz RAKUVFVWSOYLHJ-LBPRGKRZSA-N 1 1 241.338 3.041 20 30 BGEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CCCC#N)C1CC1 ZINC000104965931 384725562 /nfs/dbraw/zinc/72/55/62/384725562.db2.gz YVYCHXICMYTNRO-VXGBXAGGSA-N 1 1 208.349 3.189 20 30 BGEDMO CC[C@H](C)[C@@H](C)[N@@H+](CCCC#N)C1CC1 ZINC000104965933 384727233 /nfs/dbraw/zinc/72/72/33/384727233.db2.gz YVYCHXICMYTNRO-NWDGAFQWSA-N 1 1 208.349 3.189 20 30 BGEDMO CC[C@@H](C)[C@H](C)[N@@H+](CCCC#N)C1CC1 ZINC000104965936 384727918 /nfs/dbraw/zinc/72/79/18/384727918.db2.gz YVYCHXICMYTNRO-NEPJUHHUSA-N 1 1 208.349 3.189 20 30 BGEDMO CC[C@H](C)[C@H](C)[N@@H+](CCCC#N)C1CC1 ZINC000104965941 384727005 /nfs/dbraw/zinc/72/70/05/384727005.db2.gz YVYCHXICMYTNRO-RYUDHWBXSA-N 1 1 208.349 3.189 20 30 BGEDMO CCCCCCCC[N@H+]1CCCC[C@@H]1CO ZINC000106386848 588269673 /nfs/dbraw/zinc/26/96/73/588269673.db2.gz FYOJPUBNJOVDIO-CQSZACIVSA-N 1 1 227.392 3.194 20 30 BGEDMO CCCCCCCC[N@H+]1CCCC[C@H]1CO ZINC000106386851 588269622 /nfs/dbraw/zinc/26/96/22/588269622.db2.gz FYOJPUBNJOVDIO-AWEZNQCLSA-N 1 1 227.392 3.194 20 30 BGEDMO CCCCCCCCC[N@H+]1CCC[C@H](CO)C1 ZINC000106387014 588269930 /nfs/dbraw/zinc/26/99/30/588269930.db2.gz GUDXNVAXJLNWEV-HNNXBMFYSA-N 1 1 241.419 3.441 20 30 BGEDMO CCCCCCCCC[N@H+]1CCC[C@@H](CO)C1 ZINC000106387019 588269944 /nfs/dbraw/zinc/26/99/44/588269944.db2.gz GUDXNVAXJLNWEV-OAHLLOKOSA-N 1 1 241.419 3.441 20 30 BGEDMO CCCCCCC[N@H+]1CCCC[C@@H]1CCO ZINC000106387542 588269755 /nfs/dbraw/zinc/26/97/55/588269755.db2.gz YNCAJNGYGVHIDH-CQSZACIVSA-N 1 1 227.392 3.194 20 30 BGEDMO CCCCCCC[N@H+]1CCCC[C@H]1CCO ZINC000106387546 588269872 /nfs/dbraw/zinc/26/98/72/588269872.db2.gz YNCAJNGYGVHIDH-AWEZNQCLSA-N 1 1 227.392 3.194 20 30 BGEDMO CCCCCCCCC[N@H+]1CCC[C@@H]1CO ZINC000106390083 588269776 /nfs/dbraw/zinc/26/97/76/588269776.db2.gz UFRQEMWIZCWLER-CQSZACIVSA-N 1 1 227.392 3.194 20 30 BGEDMO CCCCCCCCC[N@H+]1CCC[C@H]1CO ZINC000106390086 588269858 /nfs/dbraw/zinc/26/98/58/588269858.db2.gz UFRQEMWIZCWLER-AWEZNQCLSA-N 1 1 227.392 3.194 20 30 BGEDMO CCCCCCCCC[N@@H+](C)C[C@@H](C)O ZINC000106576899 588295471 /nfs/dbraw/zinc/29/54/71/588295471.db2.gz VKKTZMXSGZZSQJ-CYBMUJFWSA-N 1 1 215.381 3.050 20 30 BGEDMO CCCCCCCCC[N@@H+](C)C[C@H](C)O ZINC000106576901 588295688 /nfs/dbraw/zinc/29/56/88/588295688.db2.gz VKKTZMXSGZZSQJ-ZDUSSCGKSA-N 1 1 215.381 3.050 20 30 BGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1CCCCC#N ZINC000106862776 384938373 /nfs/dbraw/zinc/93/83/73/384938373.db2.gz MVJJFLVYYKWTAE-CYBMUJFWSA-N 1 1 228.339 3.300 20 30 BGEDMO C[C@H]1c2ccccc2CC[N@@H+]1CCCCC#N ZINC000106862779 384936459 /nfs/dbraw/zinc/93/64/59/384936459.db2.gz MVJJFLVYYKWTAE-ZDUSSCGKSA-N 1 1 228.339 3.300 20 30 BGEDMO C=C(C)C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106875505 355796688 /nfs/dbraw/zinc/79/66/88/355796688.db2.gz JAQDNLMJYFXVCX-SNVBAGLBSA-N 1 1 224.373 3.329 20 30 BGEDMO C=C(C)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106875507 133959136 /nfs/dbraw/zinc/95/91/36/133959136.db2.gz JAQDNLMJYFXVCX-JTQLQIEISA-N 1 1 224.373 3.329 20 30 BGEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCCC#N)s1 ZINC000106876809 384938192 /nfs/dbraw/zinc/93/81/92/384938192.db2.gz RWZKWPVGHOVWIV-SNVBAGLBSA-N 1 1 237.372 3.057 20 30 BGEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCCC#N)s1 ZINC000106876812 384937845 /nfs/dbraw/zinc/93/78/45/384937845.db2.gz RWZKWPVGHOVWIV-JTQLQIEISA-N 1 1 237.372 3.057 20 30 BGEDMO C=C(C)C[N@H+]1CCCc2ccccc2C1 ZINC000106887148 347037813 /nfs/dbraw/zinc/03/78/13/347037813.db2.gz KDRNDVGDPBNXAK-UHFFFAOYSA-N 1 1 201.313 3.011 20 30 BGEDMO CCCCCCCC[N@H+]1CCC[C@H](CCO)C1 ZINC000106964476 588318145 /nfs/dbraw/zinc/31/81/45/588318145.db2.gz KHAMOTAQSZVPPC-OAHLLOKOSA-N 1 1 241.419 3.441 20 30 BGEDMO CCCCCCCC[N@H+]1CCC[C@@H](CCO)C1 ZINC000106964479 588318214 /nfs/dbraw/zinc/31/82/14/588318214.db2.gz KHAMOTAQSZVPPC-HNNXBMFYSA-N 1 1 241.419 3.441 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@H](CCO)C1 ZINC000106964481 588318495 /nfs/dbraw/zinc/31/84/95/588318495.db2.gz QLTAREAOTHEZJR-CQSZACIVSA-N 1 1 227.392 3.051 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@@H](CCO)C1 ZINC000106964484 588318136 /nfs/dbraw/zinc/31/81/36/588318136.db2.gz QLTAREAOTHEZJR-AWEZNQCLSA-N 1 1 227.392 3.051 20 30 BGEDMO CCCCCCCC[N@@H+](CCO)C(C)C ZINC000107025272 588323187 /nfs/dbraw/zinc/32/31/87/588323187.db2.gz NJFPAQSTIILLCH-UHFFFAOYSA-N 1 1 215.381 3.050 20 30 BGEDMO C=CC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000107063173 347042648 /nfs/dbraw/zinc/04/26/48/347042648.db2.gz RPEXXURMCSRNQO-UHFFFAOYSA-N 1 1 213.683 3.097 20 30 BGEDMO C=CC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000107063173 347042644 /nfs/dbraw/zinc/04/26/44/347042644.db2.gz RPEXXURMCSRNQO-UHFFFAOYSA-N 1 1 213.683 3.097 20 30 BGEDMO CCCCCCCCC[N@H+]1CC[C@H](CO)C1 ZINC000107288465 588346539 /nfs/dbraw/zinc/34/65/39/588346539.db2.gz JUYREHVALJHFNU-AWEZNQCLSA-N 1 1 227.392 3.051 20 30 BGEDMO CCCCCCCCC[N@H+]1CC[C@@H](CO)C1 ZINC000107288467 588346187 /nfs/dbraw/zinc/34/61/87/588346187.db2.gz JUYREHVALJHFNU-CQSZACIVSA-N 1 1 227.392 3.051 20 30 BGEDMO C=C(Br)C[N@@H+](C1CC1)C1CCCC1 ZINC000107791153 588406105 /nfs/dbraw/zinc/40/61/05/588406105.db2.gz YWGMFMOBEJLCCQ-UHFFFAOYSA-N 1 1 244.176 3.302 20 30 BGEDMO CC(C)[N@@H+](CCCCC#N)C1CCCC1 ZINC000108365106 535052623 /nfs/dbraw/zinc/05/26/23/535052623.db2.gz RWLNGOQLTOEARR-UHFFFAOYSA-N 1 1 208.349 3.333 20 30 BGEDMO CCCCCCCCCC[N@H+]1CC[C@H](O)C1 ZINC000108379648 588461514 /nfs/dbraw/zinc/46/15/14/588461514.db2.gz RXBZNRRJBZNQOL-AWEZNQCLSA-N 1 1 227.392 3.194 20 30 BGEDMO C#CC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108385281 588462015 /nfs/dbraw/zinc/46/20/15/588462015.db2.gz MMZRRCHHGXUENL-MRXNPFEDSA-N 1 1 238.334 3.328 20 30 BGEDMO C#CC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000108385284 588461985 /nfs/dbraw/zinc/46/19/85/588461985.db2.gz MMZRRCHHGXUENL-INIZCTEOSA-N 1 1 238.334 3.328 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](OCCC)CC1 ZINC000108493783 358441270 /nfs/dbraw/zinc/44/12/70/358441270.db2.gz XSRPEVYFIJSLIN-GFCCVEGCSA-N 1 1 231.767 3.020 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](OCCC)CC1 ZINC000108493785 358441812 /nfs/dbraw/zinc/44/18/12/358441812.db2.gz XSRPEVYFIJSLIN-LBPRGKRZSA-N 1 1 231.767 3.020 20 30 BGEDMO C=CC[N@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000108869322 358441901 /nfs/dbraw/zinc/44/19/01/358441901.db2.gz IUPBGSJYNZUIHK-INIZCTEOSA-N 1 1 238.334 3.289 20 30 BGEDMO C=CC[N@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000108869323 358441757 /nfs/dbraw/zinc/44/17/57/358441757.db2.gz IUPBGSJYNZUIHK-MRXNPFEDSA-N 1 1 238.334 3.289 20 30 BGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000109461994 398296034 /nfs/dbraw/zinc/29/60/34/398296034.db2.gz LIBILTBJUIINFA-OAHLLOKOSA-N 1 1 228.339 3.179 20 30 BGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000109462032 398296090 /nfs/dbraw/zinc/29/60/90/398296090.db2.gz ZHTOMARBMXUMGG-OAHLLOKOSA-N 1 1 228.339 3.179 20 30 BGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000109462070 398296245 /nfs/dbraw/zinc/29/62/45/398296245.db2.gz ZNMVWWDMDZSBIB-OAHLLOKOSA-N 1 1 228.339 3.179 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000109462181 398296204 /nfs/dbraw/zinc/29/62/04/398296204.db2.gz HQAHOKKMSOUNEB-HNNXBMFYSA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000109462184 187315168 /nfs/dbraw/zinc/31/51/68/187315168.db2.gz HQAHOKKMSOUNEB-OAHLLOKOSA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000109462190 398296039 /nfs/dbraw/zinc/29/60/39/398296039.db2.gz UJNLXOWMORBMKH-HNNXBMFYSA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)(C)C[N@H+](CCC#N)CCOC(C)(C)C ZINC000109812128 385489154 /nfs/dbraw/zinc/48/91/54/385489154.db2.gz BDYSKIMRWRVNPE-UHFFFAOYSA-N 1 1 240.391 3.063 20 30 BGEDMO CC(C)(C)C[N@@H+](CCC#N)CCOC(C)(C)C ZINC000109812128 385489151 /nfs/dbraw/zinc/48/91/51/385489151.db2.gz BDYSKIMRWRVNPE-UHFFFAOYSA-N 1 1 240.391 3.063 20 30 BGEDMO CC(C)(C)C[N@@H+](CCC#N)CCc1ccccc1 ZINC000109812259 385487899 /nfs/dbraw/zinc/48/78/99/385487899.db2.gz QMSLCKMBWUZNGZ-UHFFFAOYSA-N 1 1 244.382 3.491 20 30 BGEDMO C=C(C)C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000110033580 588607076 /nfs/dbraw/zinc/60/70/76/588607076.db2.gz WKEWYTOMEHUPFY-YCPHGPKFSA-N 1 1 245.366 3.413 20 30 BGEDMO C=C(C)C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000110033586 588606941 /nfs/dbraw/zinc/60/69/41/588606941.db2.gz WKEWYTOMEHUPFY-IJEWVQPXSA-N 1 1 245.366 3.413 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000110290801 323116019 /nfs/dbraw/zinc/11/60/19/323116019.db2.gz ZXHXCFFSMNLFOU-UHFFFAOYSA-N 1 1 233.355 3.320 20 30 BGEDMO CC(C)C[N@@H+](CCCC#N)C1CCCC1 ZINC000110364176 385414097 /nfs/dbraw/zinc/41/40/97/385414097.db2.gz FPRZUSHDICJUES-UHFFFAOYSA-N 1 1 208.349 3.191 20 30 BGEDMO CC(C)CC[N@@H+](CCC#N)C1CCCC1 ZINC000110364363 385413612 /nfs/dbraw/zinc/41/36/12/385413612.db2.gz HTGXRHXDAHFWCA-UHFFFAOYSA-N 1 1 208.349 3.191 20 30 BGEDMO C#CC[N@H+](Cc1ccc(F)cc1)[C@H]1C=CCCC1 ZINC000110939008 588712816 /nfs/dbraw/zinc/71/28/16/588712816.db2.gz SYVRSPNBSBUWSF-INIZCTEOSA-N 1 1 243.325 3.370 20 30 BGEDMO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H]1C=CCCC1 ZINC000110939012 588712903 /nfs/dbraw/zinc/71/29/03/588712903.db2.gz SYVRSPNBSBUWSF-MRXNPFEDSA-N 1 1 243.325 3.370 20 30 BGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000111249533 323157729 /nfs/dbraw/zinc/15/77/29/323157729.db2.gz BCTISONQLJHHAE-HOTGVXAUSA-N 1 1 240.350 3.323 20 30 BGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000111249576 370116828 /nfs/dbraw/zinc/11/68/28/370116828.db2.gz UBTUYBCQXFCUGY-BBRMVZONSA-N 1 1 240.350 3.323 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000111249677 370117201 /nfs/dbraw/zinc/11/72/01/370117201.db2.gz SIMDMVLJHBIOHH-HOTGVXAUSA-N 1 1 240.350 3.323 20 30 BGEDMO CC(C)=CC[N@@H+](CCC#N)CC(C)(C)C ZINC000111250633 191130252 /nfs/dbraw/zinc/13/02/52/191130252.db2.gz RBBBCSSGTJXLIM-UHFFFAOYSA-N 1 1 208.349 3.214 20 30 BGEDMO CC(C)=CC[N@H+](CCC#N)CC(C)(C)C ZINC000111250633 191130249 /nfs/dbraw/zinc/13/02/49/191130249.db2.gz RBBBCSSGTJXLIM-UHFFFAOYSA-N 1 1 208.349 3.214 20 30 BGEDMO CC(C)(C)C[N@@H+](CCC#N)CC1CCCC1 ZINC000111250773 411116860 /nfs/dbraw/zinc/11/68/60/411116860.db2.gz TXALHLQRBZUUCK-UHFFFAOYSA-N 1 1 222.376 3.438 20 30 BGEDMO C=CC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000111258117 323158010 /nfs/dbraw/zinc/15/80/10/323158010.db2.gz LLLOQHBZFJNINA-UHFFFAOYSA-N 1 1 248.370 3.370 20 30 BGEDMO C=CC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000111258399 347473202 /nfs/dbraw/zinc/47/32/02/347473202.db2.gz WROPTPOZCFGMFT-UHFFFAOYSA-N 1 1 244.313 3.095 20 30 BGEDMO C=CC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000111258602 347473168 /nfs/dbraw/zinc/47/31/68/347473168.db2.gz HSNHUIAFMKKELO-LLVKDONJSA-N 1 1 249.358 3.152 20 30 BGEDMO C=CC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000111258604 347473085 /nfs/dbraw/zinc/47/30/85/347473085.db2.gz HSNHUIAFMKKELO-NSHDSACASA-N 1 1 249.358 3.152 20 30 BGEDMO C=CC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000111260150 347473107 /nfs/dbraw/zinc/47/31/07/347473107.db2.gz ABAMEXQDOWPIER-UHFFFAOYSA-N 1 1 236.384 3.104 20 30 BGEDMO C=CC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000111278454 136372458 /nfs/dbraw/zinc/37/24/58/136372458.db2.gz AMMICHHWQOMDKV-IPYPFGDCSA-N 1 1 231.339 3.023 20 30 BGEDMO C=CC[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000111278454 136372457 /nfs/dbraw/zinc/37/24/57/136372457.db2.gz AMMICHHWQOMDKV-IPYPFGDCSA-N 1 1 231.339 3.023 20 30 BGEDMO C=CC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000111278458 136372475 /nfs/dbraw/zinc/37/24/75/136372475.db2.gz AMMICHHWQOMDKV-VNHYZAJKSA-N 1 1 231.339 3.023 20 30 BGEDMO C=CC[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000111278458 136372474 /nfs/dbraw/zinc/37/24/74/136372474.db2.gz AMMICHHWQOMDKV-VNHYZAJKSA-N 1 1 231.339 3.023 20 30 BGEDMO N#CCCC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111306657 344587198 /nfs/dbraw/zinc/58/71/98/344587198.db2.gz VBWQAPVWNUUTEC-CYBMUJFWSA-N 1 1 248.757 3.433 20 30 BGEDMO N#CCCC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306659 344587440 /nfs/dbraw/zinc/58/74/40/344587440.db2.gz VBWQAPVWNUUTEC-ZDUSSCGKSA-N 1 1 248.757 3.433 20 30 BGEDMO C=CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306796 370125480 /nfs/dbraw/zinc/12/54/80/370125480.db2.gz BSEYMPOFASABLR-LBPRGKRZSA-N 1 1 221.731 3.315 20 30 BGEDMO C=CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111306798 370125932 /nfs/dbraw/zinc/12/59/32/370125932.db2.gz BSEYMPOFASABLR-GFCCVEGCSA-N 1 1 221.731 3.315 20 30 BGEDMO N#CCC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111307133 134507795 /nfs/dbraw/zinc/50/77/95/134507795.db2.gz MVINJMBMUSUWDN-GFCCVEGCSA-N 1 1 234.730 3.043 20 30 BGEDMO N#CCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111307133 134507792 /nfs/dbraw/zinc/50/77/92/134507792.db2.gz MVINJMBMUSUWDN-GFCCVEGCSA-N 1 1 234.730 3.043 20 30 BGEDMO N#CCC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111307135 344587242 /nfs/dbraw/zinc/58/72/42/344587242.db2.gz MVINJMBMUSUWDN-LBPRGKRZSA-N 1 1 234.730 3.043 20 30 BGEDMO N#CCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111307135 344587240 /nfs/dbraw/zinc/58/72/40/344587240.db2.gz MVINJMBMUSUWDN-LBPRGKRZSA-N 1 1 234.730 3.043 20 30 BGEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CCCC#N)CCC2 ZINC000111312469 344587914 /nfs/dbraw/zinc/58/79/14/344587914.db2.gz CYVBWBWTLYGSOC-GFCCVEGCSA-N 1 1 249.383 3.065 20 30 BGEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CCCC#N)CCC2 ZINC000111312470 344588087 /nfs/dbraw/zinc/58/80/87/344588087.db2.gz CYVBWBWTLYGSOC-LBPRGKRZSA-N 1 1 249.383 3.065 20 30 BGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000111312775 355878833 /nfs/dbraw/zinc/87/88/33/355878833.db2.gz QRJWCUDBOWYDCW-GFCCVEGCSA-N 1 1 236.384 3.337 20 30 BGEDMO C=C(C)C[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000111312778 355879134 /nfs/dbraw/zinc/87/91/34/355879134.db2.gz QRJWCUDBOWYDCW-LBPRGKRZSA-N 1 1 236.384 3.337 20 30 BGEDMO N#CCCC[N@H+]1CCCC2(CCCCC2)C1 ZINC000111323808 181036169 /nfs/dbraw/zinc/03/61/69/181036169.db2.gz LREQVUWQPKXCNM-UHFFFAOYSA-N 1 1 220.360 3.336 20 30 BGEDMO C=C(C)C[N@@H+]1CCCC[C@@H](SCC)C1 ZINC000112088036 135026331 /nfs/dbraw/zinc/02/63/31/135026331.db2.gz FQJJYFSKAWUDTH-GFCCVEGCSA-N 1 1 213.390 3.170 20 30 BGEDMO C=C(C)C[N@@H+]1CCCC[C@H](SCC)C1 ZINC000112088037 135026996 /nfs/dbraw/zinc/02/69/96/135026996.db2.gz FQJJYFSKAWUDTH-LBPRGKRZSA-N 1 1 213.390 3.170 20 30 BGEDMO CCS[C@@H]1CCCC[N@@H+](CCCCC#N)C1 ZINC000112088539 535703284 /nfs/dbraw/zinc/70/32/84/535703284.db2.gz IEOBRJRNPZXTFG-CYBMUJFWSA-N 1 1 240.416 3.288 20 30 BGEDMO CCS[C@H]1CCCC[N@@H+](CCCCC#N)C1 ZINC000112088540 535724354 /nfs/dbraw/zinc/72/43/54/535724354.db2.gz IEOBRJRNPZXTFG-ZDUSSCGKSA-N 1 1 240.416 3.288 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](SCC)C1 ZINC000112120254 588782428 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IIFWILZNWIYWHR-UHFFFAOYSA-N 1 1 203.329 3.473 20 30 BGEDMO C=CC[N@H+](CCCCOC)Cc1cccs1 ZINC000114205781 134177125 /nfs/dbraw/zinc/17/71/25/134177125.db2.gz MMMBVXIOKHDAAW-UHFFFAOYSA-N 1 1 239.384 3.163 20 30 BGEDMO C[N@@H+](CCCCC#N)[C@@H]1CCc2ccccc2C1 ZINC000114489384 344687927 /nfs/dbraw/zinc/68/79/27/344687927.db2.gz ALSKBAWNWXATSV-MRXNPFEDSA-N 1 1 242.366 3.170 20 30 BGEDMO C[N@@H+](CCCCC#N)[C@H]1CCc2ccccc2C1 ZINC000114489386 344687547 /nfs/dbraw/zinc/68/75/47/344687547.db2.gz ALSKBAWNWXATSV-INIZCTEOSA-N 1 1 242.366 3.170 20 30 BGEDMO C=C(C)C[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000114490229 323194598 /nfs/dbraw/zinc/19/45/98/323194598.db2.gz MUIYHGCKFYQXCF-OAHLLOKOSA-N 1 1 215.340 3.052 20 30 BGEDMO C=C(C)C[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000114490231 323194595 /nfs/dbraw/zinc/19/45/95/323194595.db2.gz MUIYHGCKFYQXCF-HNNXBMFYSA-N 1 1 215.340 3.052 20 30 BGEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCCC#N ZINC000114492811 370569599 /nfs/dbraw/zinc/56/95/99/370569599.db2.gz PZTNEPNIDUQYRN-OAHLLOKOSA-N 1 1 228.339 3.300 20 30 BGEDMO CC[C@H]1c2ccccc2CC[N@@H+]1CCCC#N ZINC000114492814 370569640 /nfs/dbraw/zinc/56/96/40/370569640.db2.gz PZTNEPNIDUQYRN-HNNXBMFYSA-N 1 1 228.339 3.300 20 30 BGEDMO N#CCCC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114494293 134183165 /nfs/dbraw/zinc/18/31/65/134183165.db2.gz QFLWJQGJROFRIG-CQSZACIVSA-N 1 1 218.344 3.112 20 30 BGEDMO N#CCCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494295 134183258 /nfs/dbraw/zinc/18/32/58/134183258.db2.gz QFLWJQGJROFRIG-AWEZNQCLSA-N 1 1 218.344 3.112 20 30 BGEDMO C=C(C)C[N@@H+](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000114562353 323195114 /nfs/dbraw/zinc/19/51/14/323195114.db2.gz CPNRKKCAWVHHMC-UHFFFAOYSA-N 1 1 248.326 3.035 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000114563443 588876135 /nfs/dbraw/zinc/87/61/35/588876135.db2.gz RFQBGPJQXVCEGW-CQSZACIVSA-N 1 1 235.758 3.228 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000114563445 588876049 /nfs/dbraw/zinc/87/60/49/588876049.db2.gz RFQBGPJQXVCEGW-AWEZNQCLSA-N 1 1 235.758 3.228 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1ccc2c(c1)CCO2 ZINC000114712381 323195781 /nfs/dbraw/zinc/19/57/81/323195781.db2.gz JYNVCOSYEDXDSB-UHFFFAOYSA-N 1 1 231.339 3.020 20 30 BGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000114732428 134194251 /nfs/dbraw/zinc/19/42/51/134194251.db2.gz TZBVUNIMMYRMDI-NSHDSACASA-N 1 1 207.342 3.379 20 30 BGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000114732430 134194128 /nfs/dbraw/zinc/19/41/28/134194128.db2.gz TZBVUNIMMYRMDI-LLVKDONJSA-N 1 1 207.342 3.379 20 30 BGEDMO Cc1ccc([C@@H]2CCC[N@H+]2CCCC#N)s1 ZINC000114734524 134194447 /nfs/dbraw/zinc/19/44/47/134194447.db2.gz AYGATVWUJGAULU-LBPRGKRZSA-N 1 1 234.368 3.497 20 30 BGEDMO Cc1ccc([C@H]2CCC[N@H+]2CCCC#N)s1 ZINC000114734526 134194262 /nfs/dbraw/zinc/19/42/62/134194262.db2.gz AYGATVWUJGAULU-GFCCVEGCSA-N 1 1 234.368 3.497 20 30 BGEDMO Cc1ccc([C@@H]2CCC[N@H+]2CCC#N)s1 ZINC000114734663 358448587 /nfs/dbraw/zinc/44/85/87/358448587.db2.gz TUYMSCYIEQYHMF-NSHDSACASA-N 1 1 220.341 3.107 20 30 BGEDMO Cc1ccc([C@@H]2CCC[N@@H+]2CCC#N)s1 ZINC000114734663 358448582 /nfs/dbraw/zinc/44/85/82/358448582.db2.gz TUYMSCYIEQYHMF-NSHDSACASA-N 1 1 220.341 3.107 20 30 BGEDMO Cc1ccc([C@H]2CCC[N@H+]2CCC#N)s1 ZINC000114734665 358448737 /nfs/dbraw/zinc/44/87/37/358448737.db2.gz TUYMSCYIEQYHMF-LLVKDONJSA-N 1 1 220.341 3.107 20 30 BGEDMO Cc1ccc([C@H]2CCC[N@@H+]2CCC#N)s1 ZINC000114734665 358448736 /nfs/dbraw/zinc/44/87/36/358448736.db2.gz TUYMSCYIEQYHMF-LLVKDONJSA-N 1 1 220.341 3.107 20 30 BGEDMO CC(C)[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)CC1 ZINC000114803668 387209990 /nfs/dbraw/zinc/20/99/90/387209990.db2.gz BDQYCMQZYUGBIF-LSDHHAIUSA-N 1 1 247.386 3.188 20 30 BGEDMO CC(C)[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)CC1 ZINC000114803670 387209727 /nfs/dbraw/zinc/20/97/27/387209727.db2.gz BDQYCMQZYUGBIF-GJZGRUSLSA-N 1 1 247.386 3.188 20 30 BGEDMO CCCCCCC[N@@H+](CC)CC(C)(C)O ZINC000115549111 588908972 /nfs/dbraw/zinc/90/89/72/588908972.db2.gz HAEDJUVRNYCUPM-UHFFFAOYSA-N 1 1 215.381 3.050 20 30 BGEDMO CCCCCCCC[N@@H+](C)CC(C)(C)O ZINC000115549117 588909182 /nfs/dbraw/zinc/90/91/82/588909182.db2.gz IGEQDZNVDFTMQS-UHFFFAOYSA-N 1 1 215.381 3.050 20 30 BGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCCC#N ZINC000115553527 344711673 /nfs/dbraw/zinc/71/16/73/344711673.db2.gz FQQFPFNCYFUKOX-HIFRSBDPSA-N 1 1 228.339 3.168 20 30 BGEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCCC#N ZINC000115553529 344711716 /nfs/dbraw/zinc/71/17/16/344711716.db2.gz FQQFPFNCYFUKOX-ZFWWWQNUSA-N 1 1 228.339 3.168 20 30 BGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCC#N ZINC000115553531 344711952 /nfs/dbraw/zinc/71/19/52/344711952.db2.gz FQQFPFNCYFUKOX-UKRRQHHQSA-N 1 1 228.339 3.168 20 30 BGEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCC#N ZINC000115553533 134521007 /nfs/dbraw/zinc/52/10/07/134521007.db2.gz FQQFPFNCYFUKOX-DZGCQCFKSA-N 1 1 228.339 3.168 20 30 BGEDMO C=CC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000115555214 370670208 /nfs/dbraw/zinc/67/02/08/370670208.db2.gz HUMVUJCXWNORBW-OCCSQVGLSA-N 1 1 201.313 3.050 20 30 BGEDMO C=CC[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115555216 370670600 /nfs/dbraw/zinc/67/06/00/370670600.db2.gz HUMVUJCXWNORBW-JSGCOSHPSA-N 1 1 201.313 3.050 20 30 BGEDMO C=CC[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000115555218 370670370 /nfs/dbraw/zinc/67/03/70/370670370.db2.gz HUMVUJCXWNORBW-TZMCWYRMSA-N 1 1 201.313 3.050 20 30 BGEDMO C=CC[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115555221 356705784 /nfs/dbraw/zinc/70/57/84/356705784.db2.gz HUMVUJCXWNORBW-GXTWGEPZSA-N 1 1 201.313 3.050 20 30 BGEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000115556081 323077337 /nfs/dbraw/zinc/07/73/37/323077337.db2.gz XDRBUVADKMOGHE-HIFRSBDPSA-N 1 1 215.340 3.441 20 30 BGEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115556084 323077335 /nfs/dbraw/zinc/07/73/35/323077335.db2.gz XDRBUVADKMOGHE-ZFWWWQNUSA-N 1 1 215.340 3.441 20 30 BGEDMO C=C(C)C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000115556088 323077417 /nfs/dbraw/zinc/07/74/17/323077417.db2.gz XDRBUVADKMOGHE-UKRRQHHQSA-N 1 1 215.340 3.441 20 30 BGEDMO C=C(C)C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115556091 323077346 /nfs/dbraw/zinc/07/73/46/323077346.db2.gz XDRBUVADKMOGHE-DZGCQCFKSA-N 1 1 215.340 3.441 20 30 BGEDMO N#CCCC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000115559907 344711946 /nfs/dbraw/zinc/71/19/46/344711946.db2.gz LVQNIQSNCZAZKN-AWEZNQCLSA-N 1 1 246.379 3.080 20 30 BGEDMO N#CCCC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115559910 344711508 /nfs/dbraw/zinc/71/15/08/344711508.db2.gz LVQNIQSNCZAZKN-CQSZACIVSA-N 1 1 246.379 3.080 20 30 BGEDMO C=C(C)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115561177 323077319 /nfs/dbraw/zinc/07/73/19/323077319.db2.gz BEJYAENJNVBJLD-CQSZACIVSA-N 1 1 233.380 3.353 20 30 BGEDMO C=C(C)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000115561180 323077322 /nfs/dbraw/zinc/07/73/22/323077322.db2.gz BEJYAENJNVBJLD-AWEZNQCLSA-N 1 1 233.380 3.353 20 30 BGEDMO N#CCCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000115561745 344711648 /nfs/dbraw/zinc/71/16/48/344711648.db2.gz AXRHVJRKVKVODF-UHFFFAOYSA-N 1 1 246.329 3.341 20 30 BGEDMO C=CC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000115562092 134215781 /nfs/dbraw/zinc/21/57/81/134215781.db2.gz GGQSSYFRNXGASO-UHFFFAOYSA-N 1 1 219.303 3.224 20 30 BGEDMO CC(C)CC[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000116020058 323202735 /nfs/dbraw/zinc/20/27/35/323202735.db2.gz KLWJVZXUMOZECI-UHFFFAOYSA-N 1 1 222.376 3.437 20 30 BGEDMO C=CC[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000116324516 534848563 /nfs/dbraw/zinc/84/85/63/534848563.db2.gz PHFFPUMORMMZGR-AWEZNQCLSA-N 1 1 233.380 3.271 20 30 BGEDMO C=CC[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000116324519 534848922 /nfs/dbraw/zinc/84/89/22/534848922.db2.gz PHFFPUMORMMZGR-CQSZACIVSA-N 1 1 233.380 3.271 20 30 BGEDMO CC(C)CC[N@@H+](CC1(CC#N)CC1)C1CC1 ZINC000116441219 370771945 /nfs/dbraw/zinc/77/19/45/370771945.db2.gz FNGNCHKPNKLJQA-UHFFFAOYSA-N 1 1 220.360 3.191 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](C)c1ccccc1 ZINC000116877787 370849650 /nfs/dbraw/zinc/84/96/50/370849650.db2.gz NOCAZKNZCCQXDQ-UONOGXRCSA-N 1 1 230.355 3.272 20 30 BGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H](C)c1ccccc1 ZINC000116877790 370849527 /nfs/dbraw/zinc/84/95/27/370849527.db2.gz NOCAZKNZCCQXDQ-ZIAGYGMSSA-N 1 1 230.355 3.272 20 30 BGEDMO COCCCCC[N@@H+](CCC#N)CC(C)(C)C ZINC000116879330 136220069 /nfs/dbraw/zinc/22/00/69/136220069.db2.gz IJWUIQCVFQHYPL-UHFFFAOYSA-N 1 1 240.391 3.065 20 30 BGEDMO CC(C)[C@@H]1CCCC[N@H+]1CCCCC#N ZINC000117349580 384172096 /nfs/dbraw/zinc/17/20/96/384172096.db2.gz DHGGXNARKVLSEY-ZDUSSCGKSA-N 1 1 208.349 3.191 20 30 BGEDMO CC(C)[C@H]1CCCC[N@H+]1CCCCC#N ZINC000117349584 347170635 /nfs/dbraw/zinc/17/06/35/347170635.db2.gz DHGGXNARKVLSEY-CYBMUJFWSA-N 1 1 208.349 3.191 20 30 BGEDMO C=CCCC[N@H+]1CCc2ccccc2C1 ZINC000117870478 534721335 /nfs/dbraw/zinc/72/13/35/534721335.db2.gz SAPGUCRGWCZPSY-UHFFFAOYSA-N 1 1 201.313 3.011 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(OC)cc1 ZINC000117870675 350219215 /nfs/dbraw/zinc/21/92/15/350219215.db2.gz QUBLHNBVYXEUOD-UHFFFAOYSA-N 1 1 219.328 3.093 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cccc(OC)c1 ZINC000117870697 350219145 /nfs/dbraw/zinc/21/91/45/350219145.db2.gz WGQYTQQVLLJZQZ-UHFFFAOYSA-N 1 1 219.328 3.093 20 30 BGEDMO C=CCCC[N@H+](CCOC)Cc1ccccc1 ZINC000117870738 134221821 /nfs/dbraw/zinc/22/18/21/134221821.db2.gz VIHSBRVDWGSFSN-UHFFFAOYSA-N 1 1 233.355 3.101 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cccc(F)c1 ZINC000117870741 534709573 /nfs/dbraw/zinc/70/95/73/534709573.db2.gz RHQIHGSWUKPRHD-UHFFFAOYSA-N 1 1 207.292 3.224 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(F)cc1 ZINC000117870846 350219465 /nfs/dbraw/zinc/21/94/65/350219465.db2.gz YGPPTZHKNPYGEM-UHFFFAOYSA-N 1 1 207.292 3.224 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(OC)c(F)c1 ZINC000117871186 534710420 /nfs/dbraw/zinc/71/04/20/534710420.db2.gz APGMPNYLHRGOEL-UHFFFAOYSA-N 1 1 237.318 3.232 20 30 BGEDMO C=CCCC[N@H+](C)CCOc1ccccc1F ZINC000117871537 370978244 /nfs/dbraw/zinc/97/82/44/370978244.db2.gz WSWSVCWFJKGMPG-UHFFFAOYSA-N 1 1 237.318 3.103 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(F)cc1F ZINC000117872256 534709959 /nfs/dbraw/zinc/70/99/59/534709959.db2.gz LOIVEOJSPWHWHH-UHFFFAOYSA-N 1 1 225.282 3.363 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000117872349 534709108 /nfs/dbraw/zinc/70/91/08/534709108.db2.gz KEPOFTCVGQFPML-UHFFFAOYSA-N 1 1 225.282 3.363 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC000117872980 384606735 /nfs/dbraw/zinc/60/67/35/384606735.db2.gz UHGRDTWCMRIPEK-UHFFFAOYSA-N 1 1 232.302 3.095 20 30 BGEDMO C=CCCC[N@H+](C)CCc1ccccc1 ZINC000117873555 388092200 /nfs/dbraw/zinc/09/22/00/388092200.db2.gz ZMMPJDGRUQVFKZ-UHFFFAOYSA-N 1 1 203.329 3.127 20 30 BGEDMO C=CCCC[N@H+](C)CCc1ccc(F)cc1 ZINC000117874317 388092000 /nfs/dbraw/zinc/09/20/00/388092000.db2.gz SISNLZYRBMIUIL-UHFFFAOYSA-N 1 1 221.319 3.266 20 30 BGEDMO C=CCCC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000117874455 384609149 /nfs/dbraw/zinc/60/91/49/384609149.db2.gz TZXSTHYXDJMMKT-HNNXBMFYSA-N 1 1 249.354 3.227 20 30 BGEDMO C=CCCC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000117874458 384609812 /nfs/dbraw/zinc/60/98/12/384609812.db2.gz 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HEZOMFZLBMQKJF-HNNXBMFYSA-N 1 1 249.329 3.165 20 30 BGEDMO C=CCCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000117878175 358452026 /nfs/dbraw/zinc/45/20/26/358452026.db2.gz HEZOMFZLBMQKJF-HNNXBMFYSA-N 1 1 249.329 3.165 20 30 BGEDMO C=CCCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000117878178 358452161 /nfs/dbraw/zinc/45/21/61/358452161.db2.gz HEZOMFZLBMQKJF-OAHLLOKOSA-N 1 1 249.329 3.165 20 30 BGEDMO C=CCCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000117878178 358452159 /nfs/dbraw/zinc/45/21/59/358452159.db2.gz HEZOMFZLBMQKJF-OAHLLOKOSA-N 1 1 249.329 3.165 20 30 BGEDMO C=CCCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000117878243 388092515 /nfs/dbraw/zinc/09/25/15/388092515.db2.gz WOBUJOHMCBLOML-ZBFHGGJFSA-N 1 1 245.366 3.415 20 30 BGEDMO C=CCCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000117878246 388092451 /nfs/dbraw/zinc/09/24/51/388092451.db2.gz WOBUJOHMCBLOML-HOCLYGCPSA-N 1 1 245.366 3.415 20 30 BGEDMO C=CCCC[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000117878249 388092032 /nfs/dbraw/zinc/09/20/32/388092032.db2.gz WOBUJOHMCBLOML-GDBMZVCRSA-N 1 1 245.366 3.415 20 30 BGEDMO C=CCCC[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000117878252 388092641 /nfs/dbraw/zinc/09/26/41/388092641.db2.gz WOBUJOHMCBLOML-GOEBONIOSA-N 1 1 245.366 3.415 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(C)s1 ZINC000117878555 350228040 /nfs/dbraw/zinc/22/80/40/350228040.db2.gz QDNPMMDREOJDBB-UHFFFAOYSA-N 1 1 209.358 3.455 20 30 BGEDMO C=CCCC[N@@H+](CCOC)C(CC)CC ZINC000117878702 350227996 /nfs/dbraw/zinc/22/79/96/350227996.db2.gz DJMRTTIOLCWUDU-UHFFFAOYSA-N 1 1 213.365 3.090 20 30 BGEDMO C=CCCC[N@H+](C)CCc1ccccc1OC ZINC000117879478 370980104 /nfs/dbraw/zinc/98/01/04/370980104.db2.gz LMVAIWVKNFLTIA-UHFFFAOYSA-N 1 1 233.355 3.136 20 30 BGEDMO C=CCCC[N@H+](CCC)C[C@@H]1CCCCO1 ZINC000117881082 388092182 /nfs/dbraw/zinc/09/21/82/388092182.db2.gz NYZJRXDACMGKOU-AWEZNQCLSA-N 1 1 225.376 3.234 20 30 BGEDMO C=CCCC[N@H+](CCC)C[C@H]1CCCCO1 ZINC000117881085 388092336 /nfs/dbraw/zinc/09/23/36/388092336.db2.gz NYZJRXDACMGKOU-CQSZACIVSA-N 1 1 225.376 3.234 20 30 BGEDMO C=CCCC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000117881914 384605682 /nfs/dbraw/zinc/60/56/82/384605682.db2.gz TUWOPHAGJGOEOA-LBPRGKRZSA-N 1 1 219.328 3.351 20 30 BGEDMO C=CCCC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000117881917 384610199 /nfs/dbraw/zinc/61/01/99/384610199.db2.gz TUWOPHAGJGOEOA-GFCCVEGCSA-N 1 1 219.328 3.351 20 30 BGEDMO C=CCCC[N@H+](C)CCc1ccccc1F ZINC000117882052 343021037 /nfs/dbraw/zinc/02/10/37/343021037.db2.gz ZGSDMQPWJCSTRF-UHFFFAOYSA-N 1 1 221.319 3.266 20 30 BGEDMO C=CCCC[N@@H+](CCC#N)CC(C)(C)C ZINC000117882225 134221714 /nfs/dbraw/zinc/22/17/14/134221714.db2.gz HWGQEHQWZYMNQH-UHFFFAOYSA-N 1 1 208.349 3.214 20 30 BGEDMO C=CC[N@H+](CCCCOC)CC1CCCCC1 ZINC000117882830 388092448 /nfs/dbraw/zinc/09/24/48/388092448.db2.gz ACZGNHWFRPFPEE-UHFFFAOYSA-N 1 1 239.403 3.481 20 30 BGEDMO C=CC[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117894666 134221944 /nfs/dbraw/zinc/22/19/44/134221944.db2.gz VLTNEBLHMOCDLQ-UHFFFAOYSA-N 1 1 205.326 3.023 20 30 BGEDMO N#CCCC[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117895353 134222011 /nfs/dbraw/zinc/22/20/11/134222011.db2.gz RCRHYZMDZNETME-UHFFFAOYSA-N 1 1 232.352 3.141 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000118000260 589146431 /nfs/dbraw/zinc/14/64/31/589146431.db2.gz SLFKKBZSGSHJHZ-UHFFFAOYSA-N 1 1 232.371 3.151 20 30 BGEDMO C=CC[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000118265236 371007017 /nfs/dbraw/zinc/00/70/17/371007017.db2.gz XSAQGQQOLJWHJV-UHFFFAOYSA-N 1 1 226.323 3.020 20 30 BGEDMO C=CC[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000118265236 371007014 /nfs/dbraw/zinc/00/70/14/371007014.db2.gz XSAQGQQOLJWHJV-UHFFFAOYSA-N 1 1 226.323 3.020 20 30 BGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000118390251 176012683 /nfs/dbraw/zinc/01/26/83/176012683.db2.gz RZGJYZAYUXWTMY-OLZOCXBDSA-N 1 1 228.339 3.351 20 30 BGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000118390254 177104402 /nfs/dbraw/zinc/10/44/02/177104402.db2.gz RZGJYZAYUXWTMY-STQMWFEESA-N 1 1 228.339 3.351 20 30 BGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCS[C@H](C)C1 ZINC000118397627 176013628 /nfs/dbraw/zinc/01/36/28/176013628.db2.gz UBZZWUNWPOMSIN-NEPJUHHUSA-N 1 1 246.379 3.057 20 30 BGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC1CCC1 ZINC000118399475 176013584 /nfs/dbraw/zinc/01/35/84/176013584.db2.gz SGDIAUHDFJLYNF-LBPRGKRZSA-N 1 1 228.339 3.351 20 30 BGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC1CCC1 ZINC000118399477 177031641 /nfs/dbraw/zinc/03/16/41/177031641.db2.gz SGDIAUHDFJLYNF-GFCCVEGCSA-N 1 1 228.339 3.351 20 30 BGEDMO C=CC[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000118422680 166358317 /nfs/dbraw/zinc/35/83/17/166358317.db2.gz IEXDYGXVXQHGCL-TZMCWYRMSA-N 1 1 233.380 3.351 20 30 BGEDMO C=CC[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000118422683 166358983 /nfs/dbraw/zinc/35/89/83/166358983.db2.gz IEXDYGXVXQHGCL-GXTWGEPZSA-N 1 1 233.380 3.351 20 30 BGEDMO C=CC[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000118422686 166358507 /nfs/dbraw/zinc/35/85/07/166358507.db2.gz IEXDYGXVXQHGCL-OCCSQVGLSA-N 1 1 233.380 3.351 20 30 BGEDMO C=CC[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000118422688 166358576 /nfs/dbraw/zinc/35/85/76/166358576.db2.gz IEXDYGXVXQHGCL-JSGCOSHPSA-N 1 1 233.380 3.351 20 30 BGEDMO C=C(C)C[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000118846688 533509843 /nfs/dbraw/zinc/50/98/43/533509843.db2.gz FTCAZLCATLBVAS-MRXNPFEDSA-N 1 1 247.382 3.082 20 30 BGEDMO C=C(C)C[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000118846690 533509907 /nfs/dbraw/zinc/50/99/07/533509907.db2.gz FTCAZLCATLBVAS-INIZCTEOSA-N 1 1 247.382 3.082 20 30 BGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000118867491 388098099 /nfs/dbraw/zinc/09/80/99/388098099.db2.gz WRAGZUCKDXJTME-MRXNPFEDSA-N 1 1 244.382 3.466 20 30 BGEDMO C=C(C)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000118867493 388098731 /nfs/dbraw/zinc/09/87/31/388098731.db2.gz WRAGZUCKDXJTME-INIZCTEOSA-N 1 1 244.382 3.466 20 30 BGEDMO C=CC[N@H+](CCCF)Cc1cccs1 ZINC000118965267 134223985 /nfs/dbraw/zinc/22/39/85/134223985.db2.gz OHKUHCIHWQIPIY-UHFFFAOYSA-N 1 1 213.321 3.096 20 30 BGEDMO CC(C)C[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000119154791 134225470 /nfs/dbraw/zinc/22/54/70/134225470.db2.gz ZQHNDYLOPYBYFN-AWEZNQCLSA-N 1 1 222.376 3.438 20 30 BGEDMO CC(C)C[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000119154879 134225495 /nfs/dbraw/zinc/22/54/95/134225495.db2.gz ZQHNDYLOPYBYFN-CQSZACIVSA-N 1 1 222.376 3.438 20 30 BGEDMO C=CC[N@H+](CCCF)Cc1ccccc1 ZINC000119184678 136221926 /nfs/dbraw/zinc/22/19/26/136221926.db2.gz AMRQQCQXHMRWHK-UHFFFAOYSA-N 1 1 207.292 3.034 20 30 BGEDMO C=CCC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119207602 166262066 /nfs/dbraw/zinc/26/20/66/166262066.db2.gz ULSXBENWWZVXSY-LLVKDONJSA-N 1 1 205.301 3.381 20 30 BGEDMO C=C(C)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119251518 385622368 /nfs/dbraw/zinc/62/23/68/385622368.db2.gz DVMXCGOCLGCOCA-NSHDSACASA-N 1 1 205.301 3.381 20 30 BGEDMO C=C(C)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119251700 348206565 /nfs/dbraw/zinc/20/65/65/348206565.db2.gz DVMXCGOCLGCOCA-LLVKDONJSA-N 1 1 205.301 3.381 20 30 BGEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)CC1CCCC1 ZINC000119288862 387553524 /nfs/dbraw/zinc/55/35/24/387553524.db2.gz ANBOOPPIJODLGU-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO C=CCCC[N@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000119290774 534708929 /nfs/dbraw/zinc/70/89/29/534708929.db2.gz MDGRQTMDYGJGJF-UHFFFAOYSA-N 1 1 248.301 3.365 20 30 BGEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000119315405 343710529 /nfs/dbraw/zinc/71/05/29/343710529.db2.gz IWMKEDZEBJOXIK-LLVKDONJSA-N 1 1 234.368 3.242 20 30 BGEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000119315511 398075740 /nfs/dbraw/zinc/07/57/40/398075740.db2.gz IWMKEDZEBJOXIK-NSHDSACASA-N 1 1 234.368 3.242 20 30 BGEDMO CC(C)C[C@@H]1CCC[N@@H+](CCCC#N)C1 ZINC000119325257 134225977 /nfs/dbraw/zinc/22/59/77/134225977.db2.gz PWMOZRMVIVOFTB-ZDUSSCGKSA-N 1 1 208.349 3.048 20 30 BGEDMO CC(C)C[C@H]1CCC[N@@H+](CCCC#N)C1 ZINC000119325382 134226230 /nfs/dbraw/zinc/22/62/30/134226230.db2.gz PWMOZRMVIVOFTB-CYBMUJFWSA-N 1 1 208.349 3.048 20 30 BGEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000119374969 176021085 /nfs/dbraw/zinc/02/10/85/176021085.db2.gz YYNORIMUXOAWHD-LBPRGKRZSA-N 1 1 240.306 3.344 20 30 BGEDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000119375094 177038405 /nfs/dbraw/zinc/03/84/05/177038405.db2.gz YYNORIMUXOAWHD-GFCCVEGCSA-N 1 1 240.306 3.344 20 30 BGEDMO CC(C)(C#N)CC[N@@H+](C1CC1)C1CCCC1 ZINC000119598243 387141248 /nfs/dbraw/zinc/14/12/48/387141248.db2.gz KFGUNZKHAXFMRA-UHFFFAOYSA-N 1 1 220.360 3.333 20 30 BGEDMO C[N@@H+](CCc1ccc(F)cc1)CCC(C)(C)C#N ZINC000119602953 344855541 /nfs/dbraw/zinc/85/55/41/344855541.db2.gz FHNQPONRQFTJOT-UHFFFAOYSA-N 1 1 248.345 3.240 20 30 BGEDMO C[C@@H](c1ccco1)[N@@H+](C)CCC(C)(C)C#N ZINC000119608545 344855578 /nfs/dbraw/zinc/85/55/78/344855578.db2.gz WFNMMIQAMPNUKB-NSHDSACASA-N 1 1 220.316 3.212 20 30 BGEDMO C[C@H](c1ccco1)[N@@H+](C)CCC(C)(C)C#N ZINC000119608659 344855362 /nfs/dbraw/zinc/85/53/62/344855362.db2.gz WFNMMIQAMPNUKB-LLVKDONJSA-N 1 1 220.316 3.212 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000119611645 384895653 /nfs/dbraw/zinc/89/56/53/384895653.db2.gz YZJZSKNLJYZWLD-STQMWFEESA-N 1 1 220.360 3.191 20 30 BGEDMO CC[N@@H+](CCC(C)(C)C#N)Cc1ccoc1 ZINC000119619445 344443251 /nfs/dbraw/zinc/44/32/51/344443251.db2.gz LDJPCJGFQZANRM-UHFFFAOYSA-N 1 1 220.316 3.041 20 30 BGEDMO Cc1ccc(C[N@@H+](C)CCC(C)(C)C#N)s1 ZINC000119623702 344856026 /nfs/dbraw/zinc/85/60/26/344856026.db2.gz DNUBBJPURHNHJA-UHFFFAOYSA-N 1 1 236.384 3.428 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1C1CCC1 ZINC000119629798 344856928 /nfs/dbraw/zinc/85/69/28/344856928.db2.gz QYLNBNYCKBAAJC-CYBMUJFWSA-N 1 1 220.360 3.191 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1C1CCC1 ZINC000119629944 398327422 /nfs/dbraw/zinc/32/74/22/398327422.db2.gz QYLNBNYCKBAAJC-ZDUSSCGKSA-N 1 1 220.360 3.191 20 30 BGEDMO CCSCC[N@@H+](CCC#N)CC(C)(C)C ZINC000119661777 384925170 /nfs/dbraw/zinc/92/51/70/384925170.db2.gz BLUYLNKTIGKSJZ-UHFFFAOYSA-N 1 1 228.405 3.001 20 30 BGEDMO CC(C)[N@@H+](CCC(C)(C)C#N)C1CCC1 ZINC000119681213 384941914 /nfs/dbraw/zinc/94/19/14/384941914.db2.gz MLEQBXHDJHJDHG-UHFFFAOYSA-N 1 1 208.349 3.189 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CCC2(CCCC2)C1 ZINC000119694808 589324278 /nfs/dbraw/zinc/32/42/78/589324278.db2.gz CDRQOXJIIXIGJB-UHFFFAOYSA-N 1 1 220.360 3.192 20 30 BGEDMO CC(C)(C#N)CC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000119717226 344525936 /nfs/dbraw/zinc/52/59/36/344525936.db2.gz AGMXTGQVHYVCEH-BETUJISGSA-N 1 1 220.360 3.048 20 30 BGEDMO C[C@H]([N@@H+](C)CCC(C)(C)C#N)C1(C)CC1 ZINC000119729648 347301109 /nfs/dbraw/zinc/30/11/09/347301109.db2.gz YXVLIEQPAPOYAY-NSHDSACASA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@@H]([N@@H+](C)CCC(C)(C)C#N)C1(C)CC1 ZINC000119729775 344529608 /nfs/dbraw/zinc/52/96/08/344529608.db2.gz YXVLIEQPAPOYAY-LLVKDONJSA-N 1 1 208.349 3.047 20 30 BGEDMO C=CC[NH+](CC=C)Cc1cc(F)cc(F)c1 ZINC000119755287 387147341 /nfs/dbraw/zinc/14/73/41/387147341.db2.gz OPMQJCPACVLDNZ-UHFFFAOYSA-N 1 1 223.266 3.139 20 30 BGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1F)C1CCC1 ZINC000119767862 385201708 /nfs/dbraw/zinc/20/17/08/385201708.db2.gz OHAWHHZLVXJNGW-UHFFFAOYSA-N 1 1 246.329 3.460 20 30 BGEDMO CC(C)[N@@H+](CCC(C)(C)C#N)Cc1cccnc1 ZINC000119771330 344540752 /nfs/dbraw/zinc/54/07/52/344540752.db2.gz BQSJOOQOKDEPAI-UHFFFAOYSA-N 1 1 245.370 3.232 20 30 BGEDMO C[C@@H](c1ccccn1)[N@@H+](C)CCCC(C)(C)C#N ZINC000119783918 344864167 /nfs/dbraw/zinc/86/41/67/344864167.db2.gz ZGGOGTLGVSHEAU-ZDUSSCGKSA-N 1 1 245.370 3.404 20 30 BGEDMO C[C@H](c1ccccn1)[N@@H+](C)CCCC(C)(C)C#N ZINC000119784079 344863947 /nfs/dbraw/zinc/86/39/47/344863947.db2.gz ZGGOGTLGVSHEAU-CYBMUJFWSA-N 1 1 245.370 3.404 20 30 BGEDMO C[C@@H](c1ccccn1)[N@@H+](C)CCC(C)(C)C#N ZINC000119785324 344864801 /nfs/dbraw/zinc/86/48/01/344864801.db2.gz ZBSGSJLMJDMAEP-LBPRGKRZSA-N 1 1 231.343 3.014 20 30 BGEDMO C[C@H](c1ccccn1)[N@@H+](C)CCC(C)(C)C#N ZINC000119785475 344546854 /nfs/dbraw/zinc/54/68/54/344546854.db2.gz ZBSGSJLMJDMAEP-GFCCVEGCSA-N 1 1 231.343 3.014 20 30 BGEDMO 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ZINC000120378909 134229052 /nfs/dbraw/zinc/22/90/52/134229052.db2.gz BQSLTVOLGPCRPI-GFCCVEGCSA-N 1 1 219.353 3.217 20 30 BGEDMO CC#CC[N@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000120379099 134229058 /nfs/dbraw/zinc/22/90/58/134229058.db2.gz BQSLTVOLGPCRPI-LBPRGKRZSA-N 1 1 219.353 3.217 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1csc(C2CC2)n1 ZINC000120398021 134229263 /nfs/dbraw/zinc/22/92/63/134229263.db2.gz SAPJSPHBKUAMAW-UHFFFAOYSA-N 1 1 236.384 3.419 20 30 BGEDMO C=C(C)C[N@@H+](CC)Cc1csc(C2CC2)n1 ZINC000120398021 134229262 /nfs/dbraw/zinc/22/92/62/134229262.db2.gz SAPJSPHBKUAMAW-UHFFFAOYSA-N 1 1 236.384 3.419 20 30 BGEDMO CC[N@@H+](CCC(C)(C)C#N)[C@@H](C)C(C)C ZINC000120424146 134229419 /nfs/dbraw/zinc/22/94/19/134229419.db2.gz XFCTWAVJUYMWQN-LBPRGKRZSA-N 1 1 210.365 3.293 20 30 BGEDMO CC[N@@H+](CCC(C)(C)C#N)[C@H](C)C(C)C ZINC000120424294 344890001 /nfs/dbraw/zinc/89/00/01/344890001.db2.gz XFCTWAVJUYMWQN-GFCCVEGCSA-N 1 1 210.365 3.293 20 30 BGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCC#N ZINC000120445571 344891012 /nfs/dbraw/zinc/89/10/12/344891012.db2.gz YONZXKWOUMSITB-HNNXBMFYSA-N 1 1 230.355 3.243 20 30 BGEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CCC#N ZINC000120445730 344891074 /nfs/dbraw/zinc/89/10/74/344891074.db2.gz YONZXKWOUMSITB-OAHLLOKOSA-N 1 1 230.355 3.243 20 30 BGEDMO C[N@H+](Cc1ccsc1)Cc1ccc(C#N)s1 ZINC000120482360 350859097 /nfs/dbraw/zinc/85/90/97/350859097.db2.gz GYMKVVPWSXHYHB-UHFFFAOYSA-N 1 1 248.376 3.313 20 30 BGEDMO C[N@@H+](Cc1ccsc1)Cc1ccc(C#N)s1 ZINC000120482360 350859094 /nfs/dbraw/zinc/85/90/94/350859094.db2.gz GYMKVVPWSXHYHB-UHFFFAOYSA-N 1 1 248.376 3.313 20 30 BGEDMO C[N@H+](Cc1ccsc1)Cc1cc(C#N)cs1 ZINC000120487117 350876995 /nfs/dbraw/zinc/87/69/95/350876995.db2.gz QYTGIRQBUUVKDJ-UHFFFAOYSA-N 1 1 248.376 3.313 20 30 BGEDMO C[N@@H+](Cc1ccsc1)Cc1cc(C#N)cs1 ZINC000120487117 350876994 /nfs/dbraw/zinc/87/69/94/350876994.db2.gz QYTGIRQBUUVKDJ-UHFFFAOYSA-N 1 1 248.376 3.313 20 30 BGEDMO CCCC[N@@H+](CC)Cc1ccc(C#N)cc1OC ZINC000120499229 385600056 /nfs/dbraw/zinc/60/00/56/385600056.db2.gz FLDIVJQTJSMVMH-UHFFFAOYSA-N 1 1 246.354 3.189 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)CC1CCCCCC1 ZINC000120523064 387188546 /nfs/dbraw/zinc/18/85/46/387188546.db2.gz OQBAAQLLSOABQW-ZDUSSCGKSA-N 1 1 222.376 3.438 20 30 BGEDMO CC[N@@H+](C[C@H](C)C#N)CC1CCCCCC1 ZINC000120523228 387189659 /nfs/dbraw/zinc/18/96/59/387189659.db2.gz OQBAAQLLSOABQW-CYBMUJFWSA-N 1 1 222.376 3.438 20 30 BGEDMO C=CC[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000120560028 134229977 /nfs/dbraw/zinc/22/99/77/134229977.db2.gz XCUZLESGRRYHFZ-UHFFFAOYSA-N 1 1 219.328 3.092 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000120562331 387192450 /nfs/dbraw/zinc/19/24/50/387192450.db2.gz NQZZAMGDCLHJSK-UHFFFAOYSA-N 1 1 233.355 3.482 20 30 BGEDMO C=CCCC[N@H+](C)Cc1csc(C2CC2)n1 ZINC000120574392 534708845 /nfs/dbraw/zinc/70/88/45/534708845.db2.gz AFGODVLPGZIQEL-UHFFFAOYSA-N 1 1 236.384 3.419 20 30 BGEDMO C=CCCC[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000120574392 534708840 /nfs/dbraw/zinc/70/88/40/534708840.db2.gz AFGODVLPGZIQEL-UHFFFAOYSA-N 1 1 236.384 3.419 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000120626348 589446422 /nfs/dbraw/zinc/44/64/22/589446422.db2.gz CWBHFAWVCGUYGC-KGLIPLIRSA-N 1 1 227.392 3.050 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000120626492 589446362 /nfs/dbraw/zinc/44/63/62/589446362.db2.gz CWBHFAWVCGUYGC-ZIAGYGMSSA-N 1 1 227.392 3.050 20 30 BGEDMO COc1cc(C#N)ccc1C[N@@H+](C)CCC(C)C ZINC000120672804 385817931 /nfs/dbraw/zinc/81/79/31/385817931.db2.gz UDSJFTXYUHNUQD-UHFFFAOYSA-N 1 1 246.354 3.045 20 30 BGEDMO CC[N@@H+](Cc1ccc(C#N)s1)[C@@H](C)C(C)C ZINC000120693502 352111208 /nfs/dbraw/zinc/11/12/08/352111208.db2.gz KLNAXHUQLOBWBQ-NSHDSACASA-N 1 1 236.384 3.486 20 30 BGEDMO CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)C(C)C ZINC000120693667 352069739 /nfs/dbraw/zinc/06/97/39/352069739.db2.gz KLNAXHUQLOBWBQ-LLVKDONJSA-N 1 1 236.384 3.486 20 30 BGEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCC#N ZINC000120701364 134230258 /nfs/dbraw/zinc/23/02/58/134230258.db2.gz XUEGKCZAIHMRSC-OLZOCXBDSA-N 1 1 208.349 3.191 20 30 BGEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCCC#N ZINC000120701546 134230269 /nfs/dbraw/zinc/23/02/69/134230269.db2.gz XUEGKCZAIHMRSC-STQMWFEESA-N 1 1 208.349 3.191 20 30 BGEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCCC#N ZINC000120701692 535818995 /nfs/dbraw/zinc/81/89/95/535818995.db2.gz XUEGKCZAIHMRSC-CHWSQXEVSA-N 1 1 208.349 3.191 20 30 BGEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CCCC#N ZINC000120701833 134230213 /nfs/dbraw/zinc/23/02/13/134230213.db2.gz XUEGKCZAIHMRSC-QWHCGFSZSA-N 1 1 208.349 3.191 20 30 BGEDMO CC(C)Oc1cccc(C[N@@H+](C)CCCC#N)c1 ZINC000120705880 535037789 /nfs/dbraw/zinc/03/77/89/535037789.db2.gz UPXHAAYWJMDLML-UHFFFAOYSA-N 1 1 246.354 3.209 20 30 BGEDMO CC(C)(C)[N@@H+](CCC#N)Cc1ccccc1 ZINC000120736657 344899109 /nfs/dbraw/zinc/89/91/09/344899109.db2.gz NPAPXTATIYDRPK-UHFFFAOYSA-N 1 1 216.328 3.201 20 30 BGEDMO COc1cc(C#N)ccc1C[N@@H+](C)CC(C)(C)C ZINC000120802894 487820434 /nfs/dbraw/zinc/82/04/34/487820434.db2.gz NYBNCAANISZBBO-UHFFFAOYSA-N 1 1 246.354 3.045 20 30 BGEDMO CCC[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000120829297 344902712 /nfs/dbraw/zinc/90/27/12/344902712.db2.gz XBMMZJWGRHVQFY-CYBMUJFWSA-N 1 1 208.349 3.192 20 30 BGEDMO CCC[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000120829469 134230362 /nfs/dbraw/zinc/23/03/62/134230362.db2.gz XBMMZJWGRHVQFY-ZDUSSCGKSA-N 1 1 208.349 3.192 20 30 BGEDMO CC1(C)CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000120859358 385972179 /nfs/dbraw/zinc/97/21/79/385972179.db2.gz IXKJGXMNPQXQFW-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO CCC[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000120972565 134230816 /nfs/dbraw/zinc/23/08/16/134230816.db2.gz IGLQVJKXWMDKCC-CYBMUJFWSA-N 1 1 240.416 3.145 20 30 BGEDMO CCC[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000120972701 134230885 /nfs/dbraw/zinc/23/08/85/134230885.db2.gz IGLQVJKXWMDKCC-ZDUSSCGKSA-N 1 1 240.416 3.145 20 30 BGEDMO CCC[N@H+](Cc1ccc(F)c(C#N)c1)CC1CC1 ZINC000120986745 169174637 /nfs/dbraw/zinc/17/46/37/169174637.db2.gz BEBCFLMDLVPZBO-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cc(F)ccc1F ZINC000121054147 534708352 /nfs/dbraw/zinc/70/83/52/534708352.db2.gz BMCMEMVVAMIJTP-UHFFFAOYSA-N 1 1 225.282 3.363 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000121054909 534708684 /nfs/dbraw/zinc/70/86/84/534708684.db2.gz QSPBDAWRBASZJV-UHFFFAOYSA-N 1 1 231.339 3.020 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000121055561 534709888 /nfs/dbraw/zinc/70/98/88/534709888.db2.gz XPYHOGFREQPTTR-UHFFFAOYSA-N 1 1 248.326 3.301 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC000121056134 589492242 /nfs/dbraw/zinc/49/22/42/589492242.db2.gz GMGAZYFUPYJFDC-NWDGAFQWSA-N 1 1 243.778 3.018 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@H]1C[C@H](OCC)C12CCC2 ZINC000121056281 589492348 /nfs/dbraw/zinc/49/23/48/589492348.db2.gz GMGAZYFUPYJFDC-RYUDHWBXSA-N 1 1 243.778 3.018 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000121056441 589492494 /nfs/dbraw/zinc/49/24/94/589492494.db2.gz GMGAZYFUPYJFDC-VXGBXAGGSA-N 1 1 243.778 3.018 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000121056570 589492150 /nfs/dbraw/zinc/49/21/50/589492150.db2.gz GMGAZYFUPYJFDC-NEPJUHHUSA-N 1 1 243.778 3.018 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000121057125 534709678 /nfs/dbraw/zinc/70/96/78/534709678.db2.gz HZZAJJYPKQYGGT-UHFFFAOYSA-N 1 1 236.359 3.370 20 30 BGEDMO C=CCCC[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000121057125 534709671 /nfs/dbraw/zinc/70/96/71/534709671.db2.gz HZZAJJYPKQYGGT-UHFFFAOYSA-N 1 1 236.359 3.370 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(Cl)nc1 ZINC000121061674 344910225 /nfs/dbraw/zinc/91/02/25/344910225.db2.gz ZPVKGEAHBBWYDO-UHFFFAOYSA-N 1 1 224.735 3.133 20 30 BGEDMO C=CCCC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000121089587 534711273 /nfs/dbraw/zinc/71/12/73/534711273.db2.gz UJMQCCJGXQXUGD-LBPRGKRZSA-N 1 1 204.317 3.041 20 30 BGEDMO C=CCCC[N@H+](C)[C@H](C)c1cccnc1 ZINC000121089725 534713482 /nfs/dbraw/zinc/71/34/82/534713482.db2.gz UJMQCCJGXQXUGD-GFCCVEGCSA-N 1 1 204.317 3.041 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(F)cc1C#N ZINC000121091056 534709786 /nfs/dbraw/zinc/70/97/86/534709786.db2.gz NCKNXOWBQSVQJD-UHFFFAOYSA-N 1 1 232.302 3.095 20 30 BGEDMO C=CCCC[N@H+](C)CCc1ccc(OC)cc1 ZINC000121095770 324003700 /nfs/dbraw/zinc/00/37/00/324003700.db2.gz HGHHCUSLHYZRJJ-UHFFFAOYSA-N 1 1 233.355 3.136 20 30 BGEDMO C=CCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000121102876 134231636 /nfs/dbraw/zinc/23/16/36/134231636.db2.gz KAMTXIQEXWJWCL-DGCLKSJQSA-N 1 1 237.368 3.086 20 30 BGEDMO C=CCC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000121103057 134231622 /nfs/dbraw/zinc/23/16/22/134231622.db2.gz KAMTXIQEXWJWCL-WCQYABFASA-N 1 1 237.368 3.086 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000121105940 534709394 /nfs/dbraw/zinc/70/93/94/534709394.db2.gz KZBLWAFHWUDKTQ-UHFFFAOYSA-N 1 1 246.354 3.043 20 30 BGEDMO C=CCCC[N@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC000121118443 534713964 /nfs/dbraw/zinc/71/39/64/534713964.db2.gz BCQUEQJSAAZQIG-LLVKDONJSA-N 1 1 237.347 3.152 20 30 BGEDMO C=CCCC[N@@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC000121118443 534713959 /nfs/dbraw/zinc/71/39/59/534713959.db2.gz BCQUEQJSAAZQIG-LLVKDONJSA-N 1 1 237.347 3.152 20 30 BGEDMO C=CCCC[N@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC000121118611 534712382 /nfs/dbraw/zinc/71/23/82/534712382.db2.gz BCQUEQJSAAZQIG-NSHDSACASA-N 1 1 237.347 3.152 20 30 BGEDMO C=CCCC[N@@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC000121118611 534712379 /nfs/dbraw/zinc/71/23/79/534712379.db2.gz BCQUEQJSAAZQIG-NSHDSACASA-N 1 1 237.347 3.152 20 30 BGEDMO C#CC[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121131337 533112360 /nfs/dbraw/zinc/11/23/60/533112360.db2.gz ZRDUNOSVCCYZLO-LLVKDONJSA-N 1 1 236.384 3.201 20 30 BGEDMO C#CC[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121131337 533112358 /nfs/dbraw/zinc/11/23/58/533112358.db2.gz ZRDUNOSVCCYZLO-LLVKDONJSA-N 1 1 236.384 3.201 20 30 BGEDMO C#CC[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121131499 533113077 /nfs/dbraw/zinc/11/30/77/533113077.db2.gz ZRDUNOSVCCYZLO-NSHDSACASA-N 1 1 236.384 3.201 20 30 BGEDMO C#CC[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121131499 533113072 /nfs/dbraw/zinc/11/30/72/533113072.db2.gz ZRDUNOSVCCYZLO-NSHDSACASA-N 1 1 236.384 3.201 20 30 BGEDMO C=CCCC[N@@H+](C)CCCCCn1cc(C)cn1 ZINC000121135439 534707400 /nfs/dbraw/zinc/70/74/00/534707400.db2.gz ZKDKWOMSFXQFDO-UHFFFAOYSA-N 1 1 249.402 3.260 20 30 BGEDMO N#CCCC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000121136104 344913454 /nfs/dbraw/zinc/91/34/54/344913454.db2.gz FRLCPIOBJFXQOT-AWEZNQCLSA-N 1 1 220.360 3.335 20 30 BGEDMO N#CCCC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000121136229 344913470 /nfs/dbraw/zinc/91/34/70/344913470.db2.gz FRLCPIOBJFXQOT-CQSZACIVSA-N 1 1 220.360 3.335 20 30 BGEDMO C=CCCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000121138236 534709853 /nfs/dbraw/zinc/70/98/53/534709853.db2.gz MFBUURRGNKQULG-UHFFFAOYSA-N 1 1 240.328 3.054 20 30 BGEDMO CC1(C)CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000121144051 167898258 /nfs/dbraw/zinc/89/82/58/167898258.db2.gz NOFPYTNVGJJYTR-UHFFFAOYSA-N 1 1 234.368 3.242 20 30 BGEDMO CC1(C)CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000121148885 387011754 /nfs/dbraw/zinc/01/17/54/387011754.db2.gz GIRNVQMDOZQAKY-UHFFFAOYSA-N 1 1 234.368 3.242 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1CCCC(C)(C)C1 ZINC000121153777 534996509 /nfs/dbraw/zinc/99/65/09/534996509.db2.gz VPTVBIHBDWGBBC-UHFFFAOYSA-N 1 1 222.376 3.438 20 30 BGEDMO C=CC[N@@H+](C)CCc1c(F)cccc1Cl ZINC000121181921 324004885 /nfs/dbraw/zinc/00/48/85/324004885.db2.gz ATBNWQIDIJADJQ-UHFFFAOYSA-N 1 1 227.710 3.139 20 30 BGEDMO C=CC[N@H+](C)Cc1ccc(OCC)c(OCC)c1 ZINC000121187706 135222748 /nfs/dbraw/zinc/22/27/48/135222748.db2.gz JWKSMQQSUZEXNJ-UHFFFAOYSA-N 1 1 249.354 3.102 20 30 BGEDMO C=CC[N@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000121199354 589514791 /nfs/dbraw/zinc/51/47/91/589514791.db2.gz OXNQVIIQJHAZMF-UHFFFAOYSA-N 1 1 231.126 3.006 20 30 BGEDMO C=CC[N@@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000121199354 589514789 /nfs/dbraw/zinc/51/47/89/589514789.db2.gz OXNQVIIQJHAZMF-UHFFFAOYSA-N 1 1 231.126 3.006 20 30 BGEDMO C=CC[N@@H+](C)CCCc1ccc(Cl)cc1 ZINC000121218426 324005533 /nfs/dbraw/zinc/00/55/33/324005533.db2.gz HUNSQFYUSCFUHK-UHFFFAOYSA-N 1 1 223.747 3.390 20 30 BGEDMO C=CC[N@H+](C)Cc1ccccc1SC ZINC000121228105 135222119 /nfs/dbraw/zinc/22/21/19/135222119.db2.gz SMIBQCNZWUHZSE-UHFFFAOYSA-N 1 1 207.342 3.026 20 30 BGEDMO C=CC[N@H+](C)Cc1nc(-c2ccsc2)oc1C ZINC000121239927 324006798 /nfs/dbraw/zinc/00/67/98/324006798.db2.gz NSVFTLUGJTYRKY-UHFFFAOYSA-N 1 1 248.351 3.329 20 30 BGEDMO C=CC[N@@H+](C)Cc1nc(-c2ccsc2)oc1C ZINC000121239927 324006795 /nfs/dbraw/zinc/00/67/95/324006795.db2.gz NSVFTLUGJTYRKY-UHFFFAOYSA-N 1 1 248.351 3.329 20 30 BGEDMO C=CC[N@H+](C)Cc1ccc(Cl)cc1C ZINC000121252120 323161694 /nfs/dbraw/zinc/16/16/94/323161694.db2.gz FXGDWWNVMOHSOU-UHFFFAOYSA-N 1 1 209.720 3.266 20 30 BGEDMO C=CC[N@H+](C)Cc1nc(-c2ccccc2)oc1C ZINC000121252782 135222967 /nfs/dbraw/zinc/22/29/67/135222967.db2.gz QAIGEDIXUIRSBQ-UHFFFAOYSA-N 1 1 242.322 3.268 20 30 BGEDMO C=CC[N@@H+](C)Cc1nc(-c2ccccc2)oc1C ZINC000121252782 135222966 /nfs/dbraw/zinc/22/29/66/135222966.db2.gz QAIGEDIXUIRSBQ-UHFFFAOYSA-N 1 1 242.322 3.268 20 30 BGEDMO CCC[N@@H+](CCCF)Cc1ccc(C#N)cc1 ZINC000121274813 169154270 /nfs/dbraw/zinc/15/42/70/169154270.db2.gz BACIXAMMPXLWNR-UHFFFAOYSA-N 1 1 234.318 3.130 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000121286044 344918862 /nfs/dbraw/zinc/91/88/62/344918862.db2.gz BGPZIENIMKNKCK-UHFFFAOYSA-N 1 1 232.302 3.095 20 30 BGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000121291567 135222611 /nfs/dbraw/zinc/22/26/11/135222611.db2.gz CFRWCQTVMQIDEF-DZGCQCFKSA-N 1 1 233.355 3.007 20 30 BGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1ccccc1 ZINC000121291734 135222958 /nfs/dbraw/zinc/22/29/58/135222958.db2.gz CFRWCQTVMQIDEF-UKRRQHHQSA-N 1 1 233.355 3.007 20 30 BGEDMO C=CC[N@@H+](C)CCCc1ccccc1C ZINC000121295060 324009030 /nfs/dbraw/zinc/00/90/30/324009030.db2.gz QJGOOZVDZNVDBD-UHFFFAOYSA-N 1 1 203.329 3.045 20 30 BGEDMO C=CC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000121306098 534816480 /nfs/dbraw/zinc/81/64/80/534816480.db2.gz XUVJJMMNUFOJBQ-LLVKDONJSA-N 1 1 234.299 3.082 20 30 BGEDMO C=CC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000121306229 534816045 /nfs/dbraw/zinc/81/60/45/534816045.db2.gz XUVJJMMNUFOJBQ-NSHDSACASA-N 1 1 234.299 3.082 20 30 BGEDMO C=CC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000121332381 324011671 /nfs/dbraw/zinc/01/16/71/324011671.db2.gz ZKTSUHMMALUFSP-CQSZACIVSA-N 1 1 219.303 3.321 20 30 BGEDMO C=CC[N@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC000121332549 324011332 /nfs/dbraw/zinc/01/13/32/324011332.db2.gz ZKTSUHMMALUFSP-AWEZNQCLSA-N 1 1 219.303 3.321 20 30 BGEDMO C=CC[N@H+](C)Cc1cc(-c2ccc(C)cc2)no1 ZINC000121337664 135222402 /nfs/dbraw/zinc/22/24/02/135222402.db2.gz QJSPNVROCFUBNV-UHFFFAOYSA-N 1 1 242.322 3.268 20 30 BGEDMO C=CC[N@@H+](C)Cc1cc(-c2ccc(C)cc2)no1 ZINC000121337664 135222400 /nfs/dbraw/zinc/22/24/00/135222400.db2.gz QJSPNVROCFUBNV-UHFFFAOYSA-N 1 1 242.322 3.268 20 30 BGEDMO C=CC[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000121342964 344921868 /nfs/dbraw/zinc/92/18/68/344921868.db2.gz YOGABTNEAPXCSS-UHFFFAOYSA-N 1 1 228.339 3.106 20 30 BGEDMO C=CC[N@@H+](C)CCc1ccccc1Cl ZINC000121352349 324012719 /nfs/dbraw/zinc/01/27/19/324012719.db2.gz SXWGXFFNIHYSLY-UHFFFAOYSA-N 1 1 209.720 3.000 20 30 BGEDMO C=CC[N@H+](C)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000121385761 324009969 /nfs/dbraw/zinc/00/99/69/324009969.db2.gz OJWXVWJYHMHNBC-UHFFFAOYSA-N 1 1 245.366 3.432 20 30 BGEDMO C=CC[N@@H+](C)CCSc1ccc(F)cc1 ZINC000121389714 324010350 /nfs/dbraw/zinc/01/03/50/324010350.db2.gz KVJYBOQARZKKTP-UHFFFAOYSA-N 1 1 225.332 3.036 20 30 BGEDMO C=CC[N@@H+](C)CCSc1ccccc1F ZINC000121389861 324009890 /nfs/dbraw/zinc/00/98/90/324009890.db2.gz NVWNUIXBTKVVEY-UHFFFAOYSA-N 1 1 225.332 3.036 20 30 BGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000121406552 387019108 /nfs/dbraw/zinc/01/91/08/387019108.db2.gz ZEYDWNCFYPXKJK-VXGBXAGGSA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC000121413825 188357151 /nfs/dbraw/zinc/35/71/51/188357151.db2.gz BVASOVFDXPOVLG-UHFFFAOYSA-N 1 1 246.329 3.460 20 30 BGEDMO C=CC[N@H+](C)Cc1ccc(OCCC)cc1 ZINC000121475485 343266905 /nfs/dbraw/zinc/26/69/05/343266905.db2.gz ZBEZZWAERQWFEH-UHFFFAOYSA-N 1 1 219.328 3.093 20 30 BGEDMO C=CC[N@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000121488931 534816653 /nfs/dbraw/zinc/81/66/53/534816653.db2.gz YLXIEJDKFLSOTL-JTQLQIEISA-N 1 1 216.284 3.007 20 30 BGEDMO C=CC[N@@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000121488931 534816650 /nfs/dbraw/zinc/81/66/50/534816650.db2.gz YLXIEJDKFLSOTL-JTQLQIEISA-N 1 1 216.284 3.007 20 30 BGEDMO C=CC[N@H+](C)[C@H](C)c1nc2ccccc2o1 ZINC000121489080 534816739 /nfs/dbraw/zinc/81/67/39/534816739.db2.gz YLXIEJDKFLSOTL-SNVBAGLBSA-N 1 1 216.284 3.007 20 30 BGEDMO C=CC[N@@H+](C)[C@H](C)c1nc2ccccc2o1 ZINC000121489080 534816734 /nfs/dbraw/zinc/81/67/34/534816734.db2.gz YLXIEJDKFLSOTL-SNVBAGLBSA-N 1 1 216.284 3.007 20 30 BGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000121501350 134234336 /nfs/dbraw/zinc/23/43/36/134234336.db2.gz RJZGEJUVHSTYQU-MRXNPFEDSA-N 1 1 247.382 3.224 20 30 BGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000121501530 134234324 /nfs/dbraw/zinc/23/43/24/134234324.db2.gz RJZGEJUVHSTYQU-INIZCTEOSA-N 1 1 247.382 3.224 20 30 BGEDMO C=CC[N@H+](C)Cc1cc(C)nc2ccccc12 ZINC000121504581 135223733 /nfs/dbraw/zinc/22/37/33/135223733.db2.gz XFMWOCAWNGSMMW-UHFFFAOYSA-N 1 1 226.323 3.161 20 30 BGEDMO C=CC[N@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000121511541 324015187 /nfs/dbraw/zinc/01/51/87/324015187.db2.gz KFAUBLXACZLULZ-UHFFFAOYSA-N 1 1 244.363 3.428 20 30 BGEDMO C=CC[N@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000121515868 324014600 /nfs/dbraw/zinc/01/46/00/324014600.db2.gz UKVMWQJHRITRTK-CYBMUJFWSA-N 1 1 221.731 3.445 20 30 BGEDMO C=CC[N@H+](C)[C@H]1CCc2c1cccc2Cl ZINC000121516041 324014787 /nfs/dbraw/zinc/01/47/87/324014787.db2.gz UKVMWQJHRITRTK-ZDUSSCGKSA-N 1 1 221.731 3.445 20 30 BGEDMO C=CC[N@@H+](C)CCCc1cccc(C)c1 ZINC000121526336 324015874 /nfs/dbraw/zinc/01/58/74/324015874.db2.gz PDINFEPZAFINCL-UHFFFAOYSA-N 1 1 203.329 3.045 20 30 BGEDMO C=CC[N@H+](C)Cc1nc(-c2cccs2)oc1C ZINC000121558039 135224827 /nfs/dbraw/zinc/22/48/27/135224827.db2.gz TWPUCDOQINLDOW-UHFFFAOYSA-N 1 1 248.351 3.329 20 30 BGEDMO C=CC[N@@H+](C)Cc1nc(-c2cccs2)oc1C ZINC000121558039 135224825 /nfs/dbraw/zinc/22/48/25/135224825.db2.gz TWPUCDOQINLDOW-UHFFFAOYSA-N 1 1 248.351 3.329 20 30 BGEDMO C=CC[N@H+](C)Cc1ccc(OC(C)C)cc1 ZINC000121599808 324018421 /nfs/dbraw/zinc/01/84/21/324018421.db2.gz IPMDDMPFGHKWRG-UHFFFAOYSA-N 1 1 219.328 3.092 20 30 BGEDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121610018 177183531 /nfs/dbraw/zinc/18/35/31/177183531.db2.gz GOIHRGMAGZSTTP-NEPJUHHUSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121610188 177197881 /nfs/dbraw/zinc/19/78/81/177197881.db2.gz GOIHRGMAGZSTTP-RYUDHWBXSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121610345 176197503 /nfs/dbraw/zinc/19/75/03/176197503.db2.gz GOIHRGMAGZSTTP-VXGBXAGGSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121610489 177185180 /nfs/dbraw/zinc/18/51/80/177185180.db2.gz GOIHRGMAGZSTTP-NWDGAFQWSA-N 1 1 246.329 3.318 20 30 BGEDMO C=CCCC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121650481 324018284 /nfs/dbraw/zinc/01/82/84/324018284.db2.gz FOOGPFYEOVDSGL-MRXNPFEDSA-N 1 1 245.366 3.200 20 30 BGEDMO C=CCCC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121650649 324018844 /nfs/dbraw/zinc/01/88/44/324018844.db2.gz FOOGPFYEOVDSGL-INIZCTEOSA-N 1 1 245.366 3.200 20 30 BGEDMO CC[N@H+](CCC#N)CCCC1CCCC1 ZINC000121676193 134234898 /nfs/dbraw/zinc/23/48/98/134234898.db2.gz MEUUVHKFEDVDER-UHFFFAOYSA-N 1 1 208.349 3.192 20 30 BGEDMO C=CC[N@H+](CCCF)Cc1ccc(OC)cc1 ZINC000121728984 135224297 /nfs/dbraw/zinc/22/42/97/135224297.db2.gz IDNCGSWZMXRFGO-UHFFFAOYSA-N 1 1 237.318 3.043 20 30 BGEDMO CC#CC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000121738557 356937756 /nfs/dbraw/zinc/93/77/56/356937756.db2.gz FSGRYCLJLWKUBG-CYBMUJFWSA-N 1 1 217.312 3.220 20 30 BGEDMO CC#CC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000121738728 356937895 /nfs/dbraw/zinc/93/78/95/356937895.db2.gz FSGRYCLJLWKUBG-ZDUSSCGKSA-N 1 1 217.312 3.220 20 30 BGEDMO C=CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121766762 534847340 /nfs/dbraw/zinc/84/73/40/534847340.db2.gz LUDXYNPUJJEZDY-KGLIPLIRSA-N 1 1 249.354 3.134 20 30 BGEDMO C=CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121766933 534847608 /nfs/dbraw/zinc/84/76/08/534847608.db2.gz LUDXYNPUJJEZDY-KBPBESRZSA-N 1 1 249.354 3.134 20 30 BGEDMO N#CC[N@@H+](CCC1CCCC1)C1CCCC1 ZINC000121801731 324023360 /nfs/dbraw/zinc/02/33/60/324023360.db2.gz MEYKCJKFBCYVKA-UHFFFAOYSA-N 1 1 220.360 3.335 20 30 BGEDMO N#CC[N@H+](CCC1CCCC1)C1CCCC1 ZINC000121801731 324023357 /nfs/dbraw/zinc/02/33/57/324023357.db2.gz MEYKCJKFBCYVKA-UHFFFAOYSA-N 1 1 220.360 3.335 20 30 BGEDMO C=CC[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000121987765 534818428 /nfs/dbraw/zinc/81/84/28/534818428.db2.gz BWJIIBDBMLQSQP-SNVBAGLBSA-N 1 1 224.373 3.193 20 30 BGEDMO C=CC[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000121987958 534816573 /nfs/dbraw/zinc/81/65/73/534816573.db2.gz BWJIIBDBMLQSQP-JTQLQIEISA-N 1 1 224.373 3.193 20 30 BGEDMO CCCCCCCC[N@@H+](C)CC[C@@H](C)O ZINC000122048197 589551090 /nfs/dbraw/zinc/55/10/90/589551090.db2.gz ZMWUUXLTZOUQNQ-CYBMUJFWSA-N 1 1 215.381 3.050 20 30 BGEDMO CCCCCCCC[N@@H+](C)CC[C@H](C)O ZINC000122048420 589551236 /nfs/dbraw/zinc/55/12/36/589551236.db2.gz ZMWUUXLTZOUQNQ-ZDUSSCGKSA-N 1 1 215.381 3.050 20 30 BGEDMO CC#CC[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000122071573 135226510 /nfs/dbraw/zinc/22/65/10/135226510.db2.gz DWVKUOITOZOYQV-LLVKDONJSA-N 1 1 236.384 3.030 20 30 BGEDMO CC#CC[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000122071744 135226101 /nfs/dbraw/zinc/22/61/01/135226101.db2.gz DWVKUOITOZOYQV-NSHDSACASA-N 1 1 236.384 3.030 20 30 BGEDMO C[C@H]([N@@H+](C)Cc1ccc(F)c(C#N)c1)C1(C)CC1 ZINC000122101368 385887203 /nfs/dbraw/zinc/88/72/03/385887203.db2.gz WLNHYONBNYAUGC-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]([N@@H+](C)Cc1ccc(F)c(C#N)c1)C1(C)CC1 ZINC000122101536 175792843 /nfs/dbraw/zinc/79/28/43/175792843.db2.gz WLNHYONBNYAUGC-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000122168801 362936762 /nfs/dbraw/zinc/93/67/62/362936762.db2.gz GMGSDDQXUCLCSZ-UHFFFAOYSA-N 1 1 234.368 3.240 20 30 BGEDMO CC[C@@H](C#N)Nc1ccc([NH+]2CCCC2)cc1C ZINC000122201784 324033937 /nfs/dbraw/zinc/03/39/37/324033937.db2.gz RKTRVTLFQYYALT-ZDUSSCGKSA-N 1 1 243.354 3.309 20 30 BGEDMO CC[C@H](C#N)Nc1ccc([NH+]2CCCC2)cc1C ZINC000122202008 324034289 /nfs/dbraw/zinc/03/42/89/324034289.db2.gz RKTRVTLFQYYALT-CYBMUJFWSA-N 1 1 243.354 3.309 20 30 BGEDMO CCOc1ccccc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000122210509 633096415 /nfs/dbraw/zinc/09/64/15/633096415.db2.gz VILPPOIWOMATAF-GFCCVEGCSA-N 1 1 246.354 3.286 20 30 BGEDMO CCOc1ccccc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000122210718 632059876 /nfs/dbraw/zinc/05/98/76/632059876.db2.gz VILPPOIWOMATAF-LBPRGKRZSA-N 1 1 246.354 3.286 20 30 BGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000122224214 177186821 /nfs/dbraw/zinc/18/68/21/177186821.db2.gz HZHHOPHVKBNCNX-PHIMTYICSA-N 1 1 232.302 3.070 20 30 BGEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000122224649 633121054 /nfs/dbraw/zinc/12/10/54/633121054.db2.gz IFCURWUIYZWFBL-GFCCVEGCSA-N 1 1 246.354 3.204 20 30 BGEDMO COc1ccc(C)cc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000122224927 632060420 /nfs/dbraw/zinc/06/04/20/632060420.db2.gz IFCURWUIYZWFBL-LBPRGKRZSA-N 1 1 246.354 3.204 20 30 BGEDMO CC(C)(C#N)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000122229076 632059110 /nfs/dbraw/zinc/05/91/10/632059110.db2.gz OTODBZNCLMWFEE-GFCCVEGCSA-N 1 1 246.379 3.363 20 30 BGEDMO CC(C)(C#N)C[NH2+][C@H]1CCSc2ccccc21 ZINC000122229337 633121132 /nfs/dbraw/zinc/12/11/32/633121132.db2.gz OTODBZNCLMWFEE-LBPRGKRZSA-N 1 1 246.379 3.363 20 30 BGEDMO CCC[N@H+]1Cc2cccc(N[C@H](C#N)CC)c2C1 ZINC000122230096 344951739 /nfs/dbraw/zinc/95/17/39/344951739.db2.gz HPSGHDGQXDPHCQ-ZDUSSCGKSA-N 1 1 243.354 3.126 20 30 BGEDMO CCC[N@H+]1Cc2cccc(N[C@@H](C#N)CC)c2C1 ZINC000122230267 344951871 /nfs/dbraw/zinc/95/18/71/344951871.db2.gz HPSGHDGQXDPHCQ-CYBMUJFWSA-N 1 1 243.354 3.126 20 30 BGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000122258177 362954541 /nfs/dbraw/zinc/95/45/41/362954541.db2.gz IMCXHQCVPPBVOK-UHFFFAOYSA-N 1 1 238.281 3.264 20 30 BGEDMO CC[C@H]([NH2+]CC(C)(C)C#N)c1ccccc1F ZINC000122272415 589574259 /nfs/dbraw/zinc/57/42/59/589574259.db2.gz KQEZGULWJLSYIG-ZDUSSCGKSA-N 1 1 234.318 3.416 20 30 BGEDMO CC[C@@H]([NH2+]CC(C)(C)C#N)c1ccccc1F ZINC000122272582 589574045 /nfs/dbraw/zinc/57/40/45/589574045.db2.gz KQEZGULWJLSYIG-CYBMUJFWSA-N 1 1 234.318 3.416 20 30 BGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000122316529 633216796 /nfs/dbraw/zinc/21/67/96/633216796.db2.gz SKRDETXBXHRSIO-VIFPVBQESA-N 1 1 238.281 3.165 20 30 BGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000122316811 633215889 /nfs/dbraw/zinc/21/58/89/633215889.db2.gz SKRDETXBXHRSIO-SECBINFHSA-N 1 1 238.281 3.165 20 30 BGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1cc(F)cc(F)c1 ZINC000122317919 633216863 /nfs/dbraw/zinc/21/68/63/633216863.db2.gz QMBJPFCIEMFUDB-VIFPVBQESA-N 1 1 238.281 3.165 20 30 BGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cc(F)cc(F)c1 ZINC000122318165 633216732 /nfs/dbraw/zinc/21/67/32/633216732.db2.gz QMBJPFCIEMFUDB-SECBINFHSA-N 1 1 238.281 3.165 20 30 BGEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCC#N)c1C ZINC000122333468 344955206 /nfs/dbraw/zinc/95/52/06/344955206.db2.gz MNGBALPWVOJYRH-HNNXBMFYSA-N 1 1 228.339 3.354 20 30 BGEDMO Cc1cccc([C@H]2CCC[N@H+]2CCC#N)c1C ZINC000122333741 344955252 /nfs/dbraw/zinc/95/52/52/344955252.db2.gz MNGBALPWVOJYRH-OAHLLOKOSA-N 1 1 228.339 3.354 20 30 BGEDMO COc1cc(C)ccc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000122334265 633228567 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N#Cc1cc(F)ccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000123649760 187393200 /nfs/dbraw/zinc/39/32/00/187393200.db2.gz RRUFHRGSMCNFGR-UHFFFAOYSA-N 1 1 244.313 3.073 20 30 BGEDMO C[N@@H+](Cc1ccc(C#N)s1)C(C1CC1)C1CC1 ZINC000123650192 388362638 /nfs/dbraw/zinc/36/26/38/388362638.db2.gz PHJAHGQDEZXEOG-UHFFFAOYSA-N 1 1 246.379 3.240 20 30 BGEDMO CC(C)[N@@H+](CCCF)Cc1ccc(C#N)cc1 ZINC000123664790 191075016 /nfs/dbraw/zinc/07/50/16/191075016.db2.gz GSOKPRCRPMKVSG-UHFFFAOYSA-N 1 1 234.318 3.128 20 30 BGEDMO CC(C)c1ncc(C[NH+]2CCC(C#N)CC2)s1 ZINC000123669102 358506212 /nfs/dbraw/zinc/50/62/12/358506212.db2.gz ZISYFBIKXUQICX-UHFFFAOYSA-N 1 1 249.383 3.002 20 30 BGEDMO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C#N)CC2)o1 ZINC000123726491 136271047 /nfs/dbraw/zinc/27/10/47/136271047.db2.gz ONVPEBPAPYUTMX-RISCZKNCSA-N 1 1 244.338 3.139 20 30 BGEDMO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C#N)CC2)o1 ZINC000123726705 136271065 /nfs/dbraw/zinc/27/10/65/136271065.db2.gz ONVPEBPAPYUTMX-FZMZJTMJSA-N 1 1 244.338 3.139 20 30 BGEDMO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(C#N)CC2)o1 ZINC000123726934 136271035 /nfs/dbraw/zinc/27/10/35/136271035.db2.gz ONVPEBPAPYUTMX-BXUZGUMPSA-N 1 1 244.338 3.139 20 30 BGEDMO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(C#N)CC2)o1 ZINC000123727184 136271067 /nfs/dbraw/zinc/27/10/67/136271067.db2.gz ONVPEBPAPYUTMX-SMDDNHRTSA-N 1 1 244.338 3.139 20 30 BGEDMO CC[N@@H+](CCc1ccc(C)cc1)C[C@@H](C)C#N ZINC000124045599 388659735 /nfs/dbraw/zinc/65/97/35/388659735.db2.gz PXWXUCPXDRRIQS-AWEZNQCLSA-N 1 1 230.355 3.019 20 30 BGEDMO CC[N@@H+](CCc1ccc(C)cc1)C[C@H](C)C#N ZINC000124045810 388659754 /nfs/dbraw/zinc/65/97/54/388659754.db2.gz PXWXUCPXDRRIQS-CQSZACIVSA-N 1 1 230.355 3.019 20 30 BGEDMO CC(C)CCC(N)=[NH+]OC/C(Cl)=C/Cl ZINC000124110992 589942618 /nfs/dbraw/zinc/94/26/18/589942618.db2.gz NKGBTZPMUVMSRM-YVMONPNESA-N 1 1 239.146 3.030 20 30 BGEDMO C=C(C)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124127266 371151192 /nfs/dbraw/zinc/15/11/92/371151192.db2.gz ZAEDUCWGJWXVCE-OAHLLOKOSA-N 1 1 215.340 3.127 20 30 BGEDMO C=C(C)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124127508 353160418 /nfs/dbraw/zinc/16/04/18/353160418.db2.gz ZAEDUCWGJWXVCE-HNNXBMFYSA-N 1 1 215.340 3.127 20 30 BGEDMO C=CCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124166393 353159407 /nfs/dbraw/zinc/15/94/07/353159407.db2.gz LBQIHJNUQDBHCY-OAHLLOKOSA-N 1 1 215.340 3.127 20 30 BGEDMO C=CCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124166676 371158091 /nfs/dbraw/zinc/15/80/91/371158091.db2.gz LBQIHJNUQDBHCY-HNNXBMFYSA-N 1 1 215.340 3.127 20 30 BGEDMO N#CCCCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124169843 345030932 /nfs/dbraw/zinc/03/09/32/345030932.db2.gz XNCHTVIPUGBDKD-INIZCTEOSA-N 1 1 242.366 3.245 20 30 BGEDMO N#CCCCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124170043 345030916 /nfs/dbraw/zinc/03/09/16/345030916.db2.gz XNCHTVIPUGBDKD-MRXNPFEDSA-N 1 1 242.366 3.245 20 30 BGEDMO CCCCCCCC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000124199261 589960182 /nfs/dbraw/zinc/96/01/82/589960182.db2.gz MGXOWPIOIXAXEE-HUUCEWRRSA-N 1 1 240.435 3.419 20 30 BGEDMO CCCCCCCC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000124199478 589960099 /nfs/dbraw/zinc/96/00/99/589960099.db2.gz MGXOWPIOIXAXEE-CABCVRRESA-N 1 1 240.435 3.419 20 30 BGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C)cc1 ZINC000124285689 534882470 /nfs/dbraw/zinc/88/24/70/534882470.db2.gz LNBAKKHYKUJADK-CYBMUJFWSA-N 1 1 231.339 3.236 20 30 BGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C)cc1 ZINC000124285916 358515111 /nfs/dbraw/zinc/51/51/11/358515111.db2.gz LNBAKKHYKUJADK-ZDUSSCGKSA-N 1 1 231.339 3.236 20 30 BGEDMO C=C(Cl)C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000124288594 589973644 /nfs/dbraw/zinc/97/36/44/589973644.db2.gz ZAUBOULSWSCTFR-UHFFFAOYSA-N 1 1 231.767 3.018 20 30 BGEDMO C=CCCCCC[N@H+](C)CC[C@H]1CCCN1C ZINC000124299046 358515872 /nfs/dbraw/zinc/51/58/72/358515872.db2.gz YDADUJACUDKFDB-OAHLLOKOSA-N 1 1 238.419 3.149 20 30 BGEDMO C=CCCCCC[N@@H+](C)CC[C@H]1CCCN1C ZINC000124299046 358515869 /nfs/dbraw/zinc/51/58/69/358515869.db2.gz YDADUJACUDKFDB-OAHLLOKOSA-N 1 1 238.419 3.149 20 30 BGEDMO C=CCCCCC[N@H+](C)CC[C@@H]1CCCN1C ZINC000124299250 358515910 /nfs/dbraw/zinc/51/59/10/358515910.db2.gz YDADUJACUDKFDB-HNNXBMFYSA-N 1 1 238.419 3.149 20 30 BGEDMO C=CCCCCC[N@@H+](C)CC[C@@H]1CCCN1C ZINC000124299250 358515907 /nfs/dbraw/zinc/51/59/07/358515907.db2.gz YDADUJACUDKFDB-HNNXBMFYSA-N 1 1 238.419 3.149 20 30 BGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2C)c1 ZINC000124321432 358515845 /nfs/dbraw/zinc/51/58/45/358515845.db2.gz BAHUCRLPHDCDID-CYBMUJFWSA-N 1 1 231.339 3.236 20 30 BGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000124321630 358515773 /nfs/dbraw/zinc/51/57/73/358515773.db2.gz BAHUCRLPHDCDID-ZDUSSCGKSA-N 1 1 231.339 3.236 20 30 BGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1C ZINC000124336279 358515651 /nfs/dbraw/zinc/51/56/51/358515651.db2.gz QGXFANVZDYMLHK-CYBMUJFWSA-N 1 1 231.339 3.236 20 30 BGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]1C ZINC000124336541 358515667 /nfs/dbraw/zinc/51/56/67/358515667.db2.gz QGXFANVZDYMLHK-ZDUSSCGKSA-N 1 1 231.339 3.236 20 30 BGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2C)cc1 ZINC000124354483 589978204 /nfs/dbraw/zinc/97/82/04/589978204.db2.gz BADXQGLZUYEGJB-CQSZACIVSA-N 1 1 243.350 3.073 20 30 BGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C)cc1 ZINC000124354739 589978206 /nfs/dbraw/zinc/97/82/06/589978206.db2.gz BADXQGLZUYEGJB-AWEZNQCLSA-N 1 1 243.350 3.073 20 30 BGEDMO C=C(Cl)C[NH2+]Cc1cc2ccccc2o1 ZINC000124492066 590032510 /nfs/dbraw/zinc/03/25/10/590032510.db2.gz JKTKCCNJIHUYMQ-UHFFFAOYSA-N 1 1 221.687 3.275 20 30 BGEDMO C=C(Cl)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000124493481 386066871 /nfs/dbraw/zinc/06/68/71/386066871.db2.gz MNVHOANTCAIXDQ-UHFFFAOYSA-N 1 1 244.791 3.283 20 30 BGEDMO C=C(Cl)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000124494596 590033033 /nfs/dbraw/zinc/03/30/33/590033033.db2.gz PEXQXHLEJOVOAF-UHFFFAOYSA-N 1 1 234.101 3.321 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)s1 ZINC000124501469 343561235 /nfs/dbraw/zinc/56/12/35/343561235.db2.gz ZGNHTMPUDUSRLB-FZMZJTMJSA-N 1 1 246.379 3.384 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)ccc1OC ZINC000124533075 388663461 /nfs/dbraw/zinc/66/34/61/388663461.db2.gz COBJBYYRDYICDE-UHFFFAOYSA-N 1 1 249.354 3.102 20 30 BGEDMO Cc1ccc([C@@H]2CCCC[N@H+]2CCC#N)cc1 ZINC000124572445 358519593 /nfs/dbraw/zinc/51/95/93/358519593.db2.gz DGEPVIYDDMHVFE-HNNXBMFYSA-N 1 1 228.339 3.436 20 30 BGEDMO Cc1ccc([C@@H]2CCCC[N@@H+]2CCC#N)cc1 ZINC000124572445 358519590 /nfs/dbraw/zinc/51/95/90/358519590.db2.gz DGEPVIYDDMHVFE-HNNXBMFYSA-N 1 1 228.339 3.436 20 30 BGEDMO Cc1ccc([C@H]2CCCC[N@H+]2CCC#N)cc1 ZINC000124572672 358519852 /nfs/dbraw/zinc/51/98/52/358519852.db2.gz DGEPVIYDDMHVFE-OAHLLOKOSA-N 1 1 228.339 3.436 20 30 BGEDMO Cc1ccc([C@H]2CCCC[N@@H+]2CCC#N)cc1 ZINC000124572672 358519849 /nfs/dbraw/zinc/51/98/49/358519849.db2.gz DGEPVIYDDMHVFE-OAHLLOKOSA-N 1 1 228.339 3.436 20 30 BGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1F ZINC000124574523 171053487 /nfs/dbraw/zinc/05/34/87/171053487.db2.gz PPOHYOGXDCPFDS-SMDDNHRTSA-N 1 1 246.329 3.460 20 30 BGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1F ZINC000124574734 387622839 /nfs/dbraw/zinc/62/28/39/387622839.db2.gz PPOHYOGXDCPFDS-FZMZJTMJSA-N 1 1 246.329 3.460 20 30 BGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C#N)cc1F ZINC000124574897 171037808 /nfs/dbraw/zinc/03/78/08/171037808.db2.gz PPOHYOGXDCPFDS-BXUZGUMPSA-N 1 1 246.329 3.460 20 30 BGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C#N)cc1F ZINC000124575190 388750995 /nfs/dbraw/zinc/75/09/95/388750995.db2.gz PPOHYOGXDCPFDS-RISCZKNCSA-N 1 1 246.329 3.460 20 30 BGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1 ZINC000124578322 171055158 /nfs/dbraw/zinc/05/51/58/171055158.db2.gz OZZIHOQIUKFZTA-SWLSCSKDSA-N 1 1 228.339 3.321 20 30 BGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1 ZINC000124578555 388751286 /nfs/dbraw/zinc/75/12/86/388751286.db2.gz OZZIHOQIUKFZTA-WFASDCNBSA-N 1 1 228.339 3.321 20 30 BGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C#N)cc1 ZINC000124578769 171037320 /nfs/dbraw/zinc/03/73/20/171037320.db2.gz OZZIHOQIUKFZTA-IUODEOHRSA-N 1 1 228.339 3.321 20 30 BGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C#N)cc1 ZINC000124578965 388751310 /nfs/dbraw/zinc/75/13/10/388751310.db2.gz OZZIHOQIUKFZTA-DOMZBBRYSA-N 1 1 228.339 3.321 20 30 BGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccccc1C#N ZINC000124599338 171054367 /nfs/dbraw/zinc/05/43/67/171054367.db2.gz AJUXVQVLFYJYMB-SWLSCSKDSA-N 1 1 228.339 3.321 20 30 BGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccccc1C#N ZINC000124599537 488160496 /nfs/dbraw/zinc/16/04/96/488160496.db2.gz AJUXVQVLFYJYMB-WFASDCNBSA-N 1 1 228.339 3.321 20 30 BGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccccc1C#N ZINC000124599713 171038063 /nfs/dbraw/zinc/03/80/63/171038063.db2.gz AJUXVQVLFYJYMB-IUODEOHRSA-N 1 1 228.339 3.321 20 30 BGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccccc1C#N ZINC000124599957 488160487 /nfs/dbraw/zinc/16/04/87/488160487.db2.gz AJUXVQVLFYJYMB-DOMZBBRYSA-N 1 1 228.339 3.321 20 30 BGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(C#N)ccc1F ZINC000124606526 171054514 /nfs/dbraw/zinc/05/45/14/171054514.db2.gz XKYRGHUDJSQOSZ-SMDDNHRTSA-N 1 1 246.329 3.460 20 30 BGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc(C#N)ccc1F ZINC000124606702 398314903 /nfs/dbraw/zinc/31/49/03/398314903.db2.gz XKYRGHUDJSQOSZ-FZMZJTMJSA-N 1 1 246.329 3.460 20 30 BGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc(C#N)ccc1F ZINC000124606895 171037673 /nfs/dbraw/zinc/03/76/73/171037673.db2.gz XKYRGHUDJSQOSZ-BXUZGUMPSA-N 1 1 246.329 3.460 20 30 BGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(C#N)ccc1F ZINC000124607090 398314809 /nfs/dbraw/zinc/31/48/09/398314809.db2.gz XKYRGHUDJSQOSZ-RISCZKNCSA-N 1 1 246.329 3.460 20 30 BGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc(C#N)c1 ZINC000124611693 171053571 /nfs/dbraw/zinc/05/35/71/171053571.db2.gz OHFPGPQYSVKPBS-SWLSCSKDSA-N 1 1 228.339 3.321 20 30 BGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1cccc(C#N)c1 ZINC000124611900 387626351 /nfs/dbraw/zinc/62/63/51/387626351.db2.gz OHFPGPQYSVKPBS-WFASDCNBSA-N 1 1 228.339 3.321 20 30 BGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cccc(C#N)c1 ZINC000124612118 171038366 /nfs/dbraw/zinc/03/83/66/171038366.db2.gz 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249.354 3.102 20 30 BGEDMO CC[N@@H+](CCC#N)Cc1cc(C)c(C)cc1C ZINC000127581163 388727691 /nfs/dbraw/zinc/72/76/91/388727691.db2.gz DBIYESVEWUAPLI-UHFFFAOYSA-N 1 1 230.355 3.347 20 30 BGEDMO CC[N@H+](CCC#N)Cc1cc(C)c(C)cc1C ZINC000127581163 388727690 /nfs/dbraw/zinc/72/76/90/388727690.db2.gz DBIYESVEWUAPLI-UHFFFAOYSA-N 1 1 230.355 3.347 20 30 BGEDMO CC[N@@H+](CCC#N)Cc1cc(C)c(OC)c(C)c1 ZINC000127615185 388728881 /nfs/dbraw/zinc/72/88/81/388728881.db2.gz FRIRTFYMKLCGNJ-UHFFFAOYSA-N 1 1 246.354 3.048 20 30 BGEDMO CC[N@H+](CCC#N)Cc1cc(C)c(OC)c(C)c1 ZINC000127615185 388728876 /nfs/dbraw/zinc/72/88/76/388728876.db2.gz FRIRTFYMKLCGNJ-UHFFFAOYSA-N 1 1 246.354 3.048 20 30 BGEDMO CC[N@@H+](CCC#N)Cc1cccc(C)c1C ZINC000127622495 384922498 /nfs/dbraw/zinc/92/24/98/384922498.db2.gz OPQSTHDDMYMJCM-UHFFFAOYSA-N 1 1 216.328 3.039 20 30 BGEDMO CC[N@H+](CCC#N)Cc1cccc(C)c1C ZINC000127622495 384922494 /nfs/dbraw/zinc/92/24/94/384922494.db2.gz OPQSTHDDMYMJCM-UHFFFAOYSA-N 1 1 216.328 3.039 20 30 BGEDMO 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CC[N@@H+](CCC#N)CC1CCCCCC1 ZINC000127670334 388729642 /nfs/dbraw/zinc/72/96/42/388729642.db2.gz JPZAIDUDNCDAOS-UHFFFAOYSA-N 1 1 208.349 3.192 20 30 BGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000127683897 388729767 /nfs/dbraw/zinc/72/97/67/388729767.db2.gz MDHLJXFXTNTTGX-UHFFFAOYSA-N 1 1 245.341 3.442 20 30 BGEDMO CC[N@@H+](CCC#N)CC1CCC(C)CC1 ZINC000127684886 384912243 /nfs/dbraw/zinc/91/22/43/384912243.db2.gz KJFGSLDNNHJBKL-UHFFFAOYSA-N 1 1 208.349 3.048 20 30 BGEDMO CC(C)CCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000127685678 387722747 /nfs/dbraw/zinc/72/27/47/387722747.db2.gz QVGMVEPNRGJBBG-UHFFFAOYSA-N 1 1 230.355 3.426 20 30 BGEDMO C=CC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127702456 388729834 /nfs/dbraw/zinc/72/98/34/388729834.db2.gz XYEPRAPWBYCKSS-UHFFFAOYSA-N 1 1 213.683 3.097 20 30 BGEDMO C[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000127718722 388729815 /nfs/dbraw/zinc/72/98/15/388729815.db2.gz OFOHUJTWUFBSFI-CYBMUJFWSA-N 1 1 231.314 3.052 20 30 BGEDMO C[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 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CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@@H]1C ZINC000128263076 343771442 /nfs/dbraw/zinc/77/14/42/343771442.db2.gz LMIAPMGTOXLPRJ-BBRMVZONSA-N 1 1 242.366 3.425 20 30 BGEDMO C=CCCC[N@H+](C)C/C(Cl)=C/Cl ZINC000128307285 410355166 /nfs/dbraw/zinc/35/51/66/410355166.db2.gz GLEIOOGLDAJHDV-CLFYSBASSA-N 1 1 208.132 3.203 20 30 BGEDMO C=CCCC[N@@H+](C)C/C(Cl)=C/Cl ZINC000128307285 410355161 /nfs/dbraw/zinc/35/51/61/410355161.db2.gz GLEIOOGLDAJHDV-CLFYSBASSA-N 1 1 208.132 3.203 20 30 BGEDMO C=CC[N@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000128632525 388776919 /nfs/dbraw/zinc/77/69/19/388776919.db2.gz JTJJOQLZBKZLRH-AWEZNQCLSA-N 1 1 203.329 3.126 20 30 BGEDMO C=CC[N@H+](C)[C@H](CC)Cc1ccccc1 ZINC000128632768 388777604 /nfs/dbraw/zinc/77/76/04/388777604.db2.gz JTJJOQLZBKZLRH-CQSZACIVSA-N 1 1 203.329 3.126 20 30 BGEDMO CC(C)C(N)=[NH+]O[C@@H]1CCCc2ccccc21 ZINC000128637704 591142692 /nfs/dbraw/zinc/14/26/92/591142692.db2.gz KKNZJMOVFHVSFX-CYBMUJFWSA-N 1 1 232.327 3.009 20 30 BGEDMO CC(C)C(N)=[NH+]O[C@H]1CCCc2ccccc21 ZINC000128637891 591143630 /nfs/dbraw/zinc/14/36/30/591143630.db2.gz KKNZJMOVFHVSFX-ZDUSSCGKSA-N 1 1 232.327 3.009 20 30 BGEDMO C=CCCCCC[N@H+](C)Cc1cnoc1C ZINC000128696558 388786582 /nfs/dbraw/zinc/78/65/82/388786582.db2.gz PWKWCWFFHDIHNN-UHFFFAOYSA-N 1 1 222.332 3.161 20 30 BGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCCC#N ZINC000128707771 358579418 /nfs/dbraw/zinc/57/94/18/358579418.db2.gz UAYWACACLRLUOF-HNNXBMFYSA-N 1 1 230.355 3.243 20 30 BGEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCCC#N ZINC000128707949 358579750 /nfs/dbraw/zinc/57/97/50/358579750.db2.gz UAYWACACLRLUOF-OAHLLOKOSA-N 1 1 230.355 3.243 20 30 BGEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000128835604 350568836 /nfs/dbraw/zinc/56/88/36/350568836.db2.gz NTDQMUGOOWXSEE-GFCCVEGCSA-N 1 1 232.327 3.163 20 30 BGEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000128835802 386698850 /nfs/dbraw/zinc/69/88/50/386698850.db2.gz NTDQMUGOOWXSEE-LBPRGKRZSA-N 1 1 232.327 3.163 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(C#N)s1 ZINC000128886902 385082938 /nfs/dbraw/zinc/08/29/38/385082938.db2.gz SVXFRCBUAOIVGC-UHFFFAOYSA-N 1 1 220.341 3.018 20 30 BGEDMO C=C(Cl)C[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000128953786 344209412 /nfs/dbraw/zinc/20/94/12/344209412.db2.gz KTGNQOMKPZLZPY-UHFFFAOYSA-N 1 1 246.137 3.191 20 30 BGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000129011310 358582791 /nfs/dbraw/zinc/58/27/91/358582791.db2.gz XLBRYDDEZQYFQB-HOTGVXAUSA-N 1 1 249.398 3.136 20 30 BGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000129011505 358582495 /nfs/dbraw/zinc/58/24/95/358582495.db2.gz XLBRYDDEZQYFQB-CVEARBPZSA-N 1 1 249.398 3.136 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129069866 591229146 /nfs/dbraw/zinc/22/91/46/591229146.db2.gz ATFJQXQZQQYQCA-UONOGXRCSA-N 1 1 226.408 3.159 20 30 BGEDMO Cc1ccc(F)cc1C[N@H+](CCC#N)C(C)C ZINC000129160101 388822455 /nfs/dbraw/zinc/82/24/55/388822455.db2.gz RKTLVZZCNFDFNT-UHFFFAOYSA-N 1 1 234.318 3.258 20 30 BGEDMO Cc1ccc(F)cc1C[N@@H+](CCC#N)C(C)C ZINC000129160101 388822449 /nfs/dbraw/zinc/82/24/49/388822449.db2.gz RKTLVZZCNFDFNT-UHFFFAOYSA-N 1 1 234.318 3.258 20 30 BGEDMO CC[N@H+](Cc1cc(F)ccc1C)C[C@@H](C)C#N ZINC000129161049 388822365 /nfs/dbraw/zinc/82/23/65/388822365.db2.gz DECBZLILYPHQTL-NSHDSACASA-N 1 1 234.318 3.116 20 30 BGEDMO CC[N@@H+](Cc1cc(F)ccc1C)C[C@@H](C)C#N ZINC000129161049 388822360 /nfs/dbraw/zinc/82/23/60/388822360.db2.gz DECBZLILYPHQTL-NSHDSACASA-N 1 1 234.318 3.116 20 30 BGEDMO CC[N@H+](Cc1cc(F)ccc1C)C[C@H](C)C#N ZINC000129161290 388822500 /nfs/dbraw/zinc/82/25/00/388822500.db2.gz DECBZLILYPHQTL-LLVKDONJSA-N 1 1 234.318 3.116 20 30 BGEDMO CC[N@@H+](Cc1cc(F)ccc1C)C[C@H](C)C#N ZINC000129161290 388822496 /nfs/dbraw/zinc/82/24/96/388822496.db2.gz DECBZLILYPHQTL-LLVKDONJSA-N 1 1 234.318 3.116 20 30 BGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cc1 ZINC000129192677 638730311 /nfs/dbraw/zinc/73/03/11/638730311.db2.gz VKQFNMIJFLWCGO-JTQLQIEISA-N 1 1 220.291 3.026 20 30 BGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cc1 ZINC000129192908 638730429 /nfs/dbraw/zinc/73/04/29/638730429.db2.gz VKQFNMIJFLWCGO-SNVBAGLBSA-N 1 1 220.291 3.026 20 30 BGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1cccc(F)c1 ZINC000129197054 639004613 /nfs/dbraw/zinc/00/46/13/639004613.db2.gz ZPKCAVQVLFTKTE-JTQLQIEISA-N 1 1 220.291 3.026 20 30 BGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cccc(F)c1 ZINC000129197233 639004569 /nfs/dbraw/zinc/00/45/69/639004569.db2.gz ZPKCAVQVLFTKTE-SNVBAGLBSA-N 1 1 220.291 3.026 20 30 BGEDMO CC(C)(C#N)C[NH2+]Cc1cc(Cl)cs1 ZINC000129214599 591269224 /nfs/dbraw/zinc/26/92/24/591269224.db2.gz FPBDDODKROLGHQ-UHFFFAOYSA-N 1 1 228.748 3.041 20 30 BGEDMO C=C(Br)CNc1cc[nH+]cc1Cl ZINC000129587264 353698566 /nfs/dbraw/zinc/69/85/66/353698566.db2.gz ARWXWBQAXAUVPO-UHFFFAOYSA-N 1 1 247.523 3.056 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1sc(CC)nc1C ZINC000129761649 344214346 /nfs/dbraw/zinc/21/43/46/344214346.db2.gz TZKOIKSTBKCDDU-MRVPVSSYSA-N 1 1 244.791 3.417 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000129761874 344214500 /nfs/dbraw/zinc/21/45/00/344214500.db2.gz TZKOIKSTBKCDDU-QMMMGPOBSA-N 1 1 244.791 3.417 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000129765169 591401588 /nfs/dbraw/zinc/40/15/88/591401588.db2.gz XBVFDOOXIKZCTI-GFCCVEGCSA-N 1 1 243.684 3.294 20 30 BGEDMO C=C(Cl)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000129765380 591401794 /nfs/dbraw/zinc/40/17/94/591401794.db2.gz XBVFDOOXIKZCTI-LBPRGKRZSA-N 1 1 243.684 3.294 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000129765647 353328869 /nfs/dbraw/zinc/32/88/69/353328869.db2.gz VECVSBKPQWSENW-GFCCVEGCSA-N 1 1 237.730 3.242 20 30 BGEDMO C=C(Cl)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000129765870 353329227 /nfs/dbraw/zinc/32/92/27/353329227.db2.gz VECVSBKPQWSENW-LBPRGKRZSA-N 1 1 237.730 3.242 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](CCC)c1ccccn1 ZINC000129772470 591402210 /nfs/dbraw/zinc/40/22/10/591402210.db2.gz NNYPWUVRILNPMP-NSHDSACASA-N 1 1 224.735 3.265 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](CCC)c1ccccn1 ZINC000129772653 591402654 /nfs/dbraw/zinc/40/26/54/591402654.db2.gz NNYPWUVRILNPMP-LLVKDONJSA-N 1 1 224.735 3.265 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(CC)o1 ZINC000129786240 133654937 /nfs/dbraw/zinc/65/49/37/133654937.db2.gz XAPTVNFEISFHDE-SECBINFHSA-N 1 1 213.708 3.245 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000129786460 344215796 /nfs/dbraw/zinc/21/57/96/344215796.db2.gz XAPTVNFEISFHDE-VIFPVBQESA-N 1 1 213.708 3.245 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000129790286 344215625 /nfs/dbraw/zinc/21/56/25/344215625.db2.gz DHVJYDKFGVFLLG-QMMMGPOBSA-N 1 1 231.126 3.138 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000129790499 358596256 /nfs/dbraw/zinc/59/62/56/358596256.db2.gz DHVJYDKFGVFLLG-MRVPVSSYSA-N 1 1 231.126 3.138 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000129793424 591404426 /nfs/dbraw/zinc/40/44/26/591404426.db2.gz FACTZVPLFLTTEV-QMMMGPOBSA-N 1 1 231.126 3.138 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000129793608 591404637 /nfs/dbraw/zinc/40/46/37/591404637.db2.gz FACTZVPLFLTTEV-MRVPVSSYSA-N 1 1 231.126 3.138 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000129803131 591410099 /nfs/dbraw/zinc/41/00/99/591410099.db2.gz QVSHEJCONRSZJF-LLVKDONJSA-N 1 1 243.684 3.294 20 30 BGEDMO C=C(Cl)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000129803350 591410105 /nfs/dbraw/zinc/41/01/05/591410105.db2.gz QVSHEJCONRSZJF-NSHDSACASA-N 1 1 243.684 3.294 20 30 BGEDMO CC(C)CC[N@@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000129826967 387017529 /nfs/dbraw/zinc/01/75/29/387017529.db2.gz HONBQDDXUHTXJV-UHFFFAOYSA-N 1 1 232.327 3.162 20 30 BGEDMO C[C@@H]1C[N@@H+](CCCC#N)CC[C@@H]1c1ccccc1 ZINC000129827814 358598961 /nfs/dbraw/zinc/59/89/61/358598961.db2.gz YMVBIOIEYSMMKU-ZBFHGGJFSA-N 1 1 242.366 3.416 20 30 BGEDMO C[C@H]1C[N@@H+](CCCC#N)CC[C@@H]1c1ccccc1 ZINC000129828043 134614540 /nfs/dbraw/zinc/61/45/40/134614540.db2.gz YMVBIOIEYSMMKU-HOCLYGCPSA-N 1 1 242.366 3.416 20 30 BGEDMO C[C@@H]1C[N@@H+](CCC#N)CC[C@@H]1c1ccccc1 ZINC000129851612 358599684 /nfs/dbraw/zinc/59/96/84/358599684.db2.gz NARZVRCKTTXZTJ-HIFRSBDPSA-N 1 1 228.339 3.026 20 30 BGEDMO C[C@@H]1C[N@H+](CCC#N)CC[C@@H]1c1ccccc1 ZINC000129851612 358599682 /nfs/dbraw/zinc/59/96/82/358599682.db2.gz NARZVRCKTTXZTJ-HIFRSBDPSA-N 1 1 228.339 3.026 20 30 BGEDMO C[C@H]1C[N@@H+](CCC#N)CC[C@@H]1c1ccccc1 ZINC000129851838 358599756 /nfs/dbraw/zinc/59/97/56/358599756.db2.gz NARZVRCKTTXZTJ-ZFWWWQNUSA-N 1 1 228.339 3.026 20 30 BGEDMO C[C@H]1C[N@H+](CCC#N)CC[C@@H]1c1ccccc1 ZINC000129851838 358599755 /nfs/dbraw/zinc/59/97/55/358599755.db2.gz NARZVRCKTTXZTJ-ZFWWWQNUSA-N 1 1 228.339 3.026 20 30 BGEDMO CC[N@H+](Cc1ccoc1)Cc1ccc(C#N)s1 ZINC000129915825 357042563 /nfs/dbraw/zinc/04/25/63/357042563.db2.gz VQYVYRRTITZADP-UHFFFAOYSA-N 1 1 246.335 3.235 20 30 BGEDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(C#N)s1 ZINC000129915825 357042560 /nfs/dbraw/zinc/04/25/60/357042560.db2.gz VQYVYRRTITZADP-UHFFFAOYSA-N 1 1 246.335 3.235 20 30 BGEDMO CC(C)[N@@H+](Cc1ccc(C#N)s1)C1CCC1 ZINC000130040399 535090269 /nfs/dbraw/zinc/09/02/69/535090269.db2.gz KKBHIGNNWVJAHJ-UHFFFAOYSA-N 1 1 234.368 3.383 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC000130189317 358612674 /nfs/dbraw/zinc/61/26/74/358612674.db2.gz WLAXCNJAEJJZPE-UHFFFAOYSA-N 1 1 238.334 3.270 20 30 BGEDMO C[N@@H+](CCCC#N)C1CCCCCCC1 ZINC000130194072 591447522 /nfs/dbraw/zinc/44/75/22/591447522.db2.gz ONNLNJGLSBWZKM-UHFFFAOYSA-N 1 1 208.349 3.335 20 30 BGEDMO N#Cc1ccc(C[N@@H+](C2CC2)C2CCCC2)o1 ZINC000130214721 358957620 /nfs/dbraw/zinc/95/76/20/358957620.db2.gz JPBHETDJUZRWDR-UHFFFAOYSA-N 1 1 230.311 3.058 20 30 BGEDMO C=C(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130334144 353343638 /nfs/dbraw/zinc/34/36/38/353343638.db2.gz BJHQFKNSWFJEJX-UHFFFAOYSA-N 1 1 246.310 3.135 20 30 BGEDMO CCCC[N@@H+](CC)Cc1cc(C#N)ccc1OC ZINC000130387651 359715918 /nfs/dbraw/zinc/71/59/18/359715918.db2.gz QJFDLIMHWWLWSF-UHFFFAOYSA-N 1 1 246.354 3.189 20 30 BGEDMO CCC[N@@H+](Cc1cc(C#N)ccc1OC)C(C)C ZINC000130397408 359742818 /nfs/dbraw/zinc/74/28/18/359742818.db2.gz MPEYWPHXBAZFOL-UHFFFAOYSA-N 1 1 246.354 3.187 20 30 BGEDMO CC[N@H+](Cc1cc(C#N)ccc1OC)CC(C)C ZINC000130398844 358623147 /nfs/dbraw/zinc/62/31/47/358623147.db2.gz BQVXJORDDBFZER-UHFFFAOYSA-N 1 1 246.354 3.045 20 30 BGEDMO CC[C@H](C)[N@@H+](CC)Cc1cc(C#N)ccc1OC ZINC000130399278 359750332 /nfs/dbraw/zinc/75/03/32/359750332.db2.gz TVCAFFPOKVXKLE-LBPRGKRZSA-N 1 1 246.354 3.187 20 30 BGEDMO CC[C@@H](C)C[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000130399729 398183308 /nfs/dbraw/zinc/18/33/08/398183308.db2.gz VERMVZVYZURWCU-GFCCVEGCSA-N 1 1 246.354 3.045 20 30 BGEDMO CC[C@H](C)C[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000130399954 398182933 /nfs/dbraw/zinc/18/29/33/398182933.db2.gz VERMVZVYZURWCU-LBPRGKRZSA-N 1 1 246.354 3.045 20 30 BGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)C(C)C ZINC000130405357 359797617 /nfs/dbraw/zinc/79/76/17/359797617.db2.gz QHORKOHYZISBIG-GFCCVEGCSA-N 1 1 246.354 3.043 20 30 BGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000130405587 358624908 /nfs/dbraw/zinc/62/49/08/358624908.db2.gz QHORKOHYZISBIG-LBPRGKRZSA-N 1 1 246.354 3.043 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000130406054 359806049 /nfs/dbraw/zinc/80/60/49/359806049.db2.gz WPNJFZSFJJPNKP-GFCCVEGCSA-N 1 1 246.354 3.187 20 30 BGEDMO CCC[C@H](C)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000130406277 359805713 /nfs/dbraw/zinc/80/57/13/359805713.db2.gz WPNJFZSFJJPNKP-LBPRGKRZSA-N 1 1 246.354 3.187 20 30 BGEDMO COc1ccc(C#N)cc1C[N@@H+](C)CCC(C)C ZINC000130419887 360381590 /nfs/dbraw/zinc/38/15/90/360381590.db2.gz XTYUMFMVJRQRBB-UHFFFAOYSA-N 1 1 246.354 3.045 20 30 BGEDMO C=C[C@H](C)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000130440051 344221594 /nfs/dbraw/zinc/22/15/94/344221594.db2.gz UONWRMUWYMDDDQ-VIFPVBQESA-N 1 1 224.373 3.105 20 30 BGEDMO C=C[C@@H](C)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000130440296 353351401 /nfs/dbraw/zinc/35/14/01/353351401.db2.gz UONWRMUWYMDDDQ-SECBINFHSA-N 1 1 224.373 3.105 20 30 BGEDMO COc1ccc(C#N)cc1C[N@@H+](C)CC(C)(C)C ZINC000130448066 358626861 /nfs/dbraw/zinc/62/68/61/358626861.db2.gz IKVVBSXXXLWFIC-UHFFFAOYSA-N 1 1 246.354 3.045 20 30 BGEDMO CCC(C)(C)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000130469395 360509994 /nfs/dbraw/zinc/50/99/94/360509994.db2.gz CUPYFKIEIQTLOB-UHFFFAOYSA-N 1 1 246.354 3.187 20 30 BGEDMO N#CCC[C@@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000130502447 385252648 /nfs/dbraw/zinc/25/26/48/385252648.db2.gz ZBDRYRYMLIJLJN-OAHLLOKOSA-N 1 1 240.306 3.414 20 30 BGEDMO N#CCC[C@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000130502669 385254077 /nfs/dbraw/zinc/25/40/77/385254077.db2.gz ZBDRYRYMLIJLJN-HNNXBMFYSA-N 1 1 240.306 3.414 20 30 BGEDMO C=CCC[C@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC000130526199 358629961 /nfs/dbraw/zinc/62/99/61/358629961.db2.gz YSFPKUTVXSKAIU-HNNXBMFYSA-N 1 1 238.419 3.053 20 30 BGEDMO C=CCC[C@@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC000130526409 358630061 /nfs/dbraw/zinc/63/00/61/358630061.db2.gz YSFPKUTVXSKAIU-OAHLLOKOSA-N 1 1 238.419 3.053 20 30 BGEDMO C=CCC[C@H](C)[NH2+]C1CCN(CCCC)CC1 ZINC000130570270 325067774 /nfs/dbraw/zinc/06/77/74/325067774.db2.gz UKPVYOGUXYQLPT-AWEZNQCLSA-N 1 1 238.419 3.195 20 30 BGEDMO C=CCC[C@@H](C)[NH2+]C1CCN(CCCC)CC1 ZINC000130570488 325067960 /nfs/dbraw/zinc/06/79/60/325067960.db2.gz UKPVYOGUXYQLPT-CQSZACIVSA-N 1 1 238.419 3.195 20 30 BGEDMO C=CCC[C@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000130581577 358632408 /nfs/dbraw/zinc/63/24/08/358632408.db2.gz NYKWPTMYZIQBCQ-ZDUSSCGKSA-N 1 1 238.419 3.194 20 30 BGEDMO C=CCC[C@@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000130581782 358632284 /nfs/dbraw/zinc/63/22/84/358632284.db2.gz NYKWPTMYZIQBCQ-CYBMUJFWSA-N 1 1 238.419 3.194 20 30 BGEDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000130608525 388408253 /nfs/dbraw/zinc/40/82/53/388408253.db2.gz PKRSDCDJGAYXCF-SNVBAGLBSA-N 1 1 222.357 3.098 20 30 BGEDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000130608731 171274386 /nfs/dbraw/zinc/27/43/86/171274386.db2.gz PKRSDCDJGAYXCF-JTQLQIEISA-N 1 1 222.357 3.098 20 30 BGEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)o2)C1 ZINC000130655780 325077038 /nfs/dbraw/zinc/07/70/38/325077038.db2.gz BSOHAHIGZRPXIC-NEPJUHHUSA-N 1 1 232.327 3.162 20 30 BGEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)o2)C1 ZINC000130655958 325076916 /nfs/dbraw/zinc/07/69/16/325076916.db2.gz BSOHAHIGZRPXIC-RYUDHWBXSA-N 1 1 232.327 3.162 20 30 BGEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)C1 ZINC000130656152 325076759 /nfs/dbraw/zinc/07/67/59/325076759.db2.gz BSOHAHIGZRPXIC-VXGBXAGGSA-N 1 1 232.327 3.162 20 30 BGEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)C1 ZINC000130656356 325076881 /nfs/dbraw/zinc/07/68/81/325076881.db2.gz BSOHAHIGZRPXIC-NWDGAFQWSA-N 1 1 232.327 3.162 20 30 BGEDMO CC(C)CC[N@@H+](C)Cc1ccc(C#N)s1 ZINC000130723148 368138022 /nfs/dbraw/zinc/13/80/22/368138022.db2.gz OMNADRIDXDIEFP-UHFFFAOYSA-N 1 1 222.357 3.098 20 30 BGEDMO CC(C)CC[N@@H+](C)CC(C)(C)CCC#N ZINC000130729155 368137678 /nfs/dbraw/zinc/13/76/78/368137678.db2.gz STBLXYMZDNHIPU-UHFFFAOYSA-N 1 1 210.365 3.294 20 30 BGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CC=CCC1 ZINC000130748545 325083654 /nfs/dbraw/zinc/08/36/54/325083654.db2.gz XSTFLWVKFJXIHH-AWEZNQCLSA-N 1 1 240.350 3.346 20 30 BGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CC=CCC1 ZINC000130748744 325083702 /nfs/dbraw/zinc/08/37/02/325083702.db2.gz XSTFLWVKFJXIHH-CQSZACIVSA-N 1 1 240.350 3.346 20 30 BGEDMO C=CCCCCC[N@H+](C)Cc1ccncc1 ZINC000130764196 353360377 /nfs/dbraw/zinc/36/03/77/353360377.db2.gz NSPZAMSNLPXUES-UHFFFAOYSA-N 1 1 218.344 3.260 20 30 BGEDMO Cc1ccoc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000130777474 325086532 /nfs/dbraw/zinc/08/65/32/325086532.db2.gz QNXZACIRJSGXKV-UHFFFAOYSA-N 1 1 240.306 3.092 20 30 BGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000130796633 353366193 /nfs/dbraw/zinc/36/61/93/353366193.db2.gz OUIQHSROELGJJQ-CYBMUJFWSA-N 1 1 235.327 3.139 20 30 BGEDMO C=C(C)C[N@@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000130796821 385286490 /nfs/dbraw/zinc/28/64/90/385286490.db2.gz OUIQHSROELGJJQ-ZDUSSCGKSA-N 1 1 235.327 3.139 20 30 BGEDMO 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/nfs/dbraw/zinc/34/56/01/325345601.db2.gz CGIUTLZHDWBPOE-UHFFFAOYSA-N 1 1 220.360 3.335 20 30 BGEDMO CC1(C)C[N@@H+](CCC#N)C[C@@H]1c1ccccc1 ZINC000134267070 134705766 /nfs/dbraw/zinc/70/57/66/134705766.db2.gz LMNWKSHOCUKOET-CQSZACIVSA-N 1 1 228.339 3.026 20 30 BGEDMO CC1(C)C[N@@H+](CCC#N)C[C@H]1c1ccccc1 ZINC000134267097 358785108 /nfs/dbraw/zinc/78/51/08/358785108.db2.gz LMNWKSHOCUKOET-AWEZNQCLSA-N 1 1 228.339 3.026 20 30 BGEDMO CC1(C)C[N@@H+](CCCC#N)C[C@@H]1c1ccccc1 ZINC000134275055 134706318 /nfs/dbraw/zinc/70/63/18/134706318.db2.gz PQHHFMASZKVADT-OAHLLOKOSA-N 1 1 242.366 3.416 20 30 BGEDMO CC1(C)C[N@@H+](CCCC#N)C[C@H]1c1ccccc1 ZINC000134275079 358785854 /nfs/dbraw/zinc/78/58/54/358785854.db2.gz PQHHFMASZKVADT-HNNXBMFYSA-N 1 1 242.366 3.416 20 30 BGEDMO CC(C)C[N@@H+](CCCC#N)CC(C)(C)C ZINC000134446885 358790762 /nfs/dbraw/zinc/79/07/62/358790762.db2.gz UOQJSINSSIEENZ-UHFFFAOYSA-N 1 1 210.365 3.294 20 30 BGEDMO C=CCCC[C@H](C)[NH2+][C@H](C)c1cn[nH]c1C ZINC000134598851 541359201 /nfs/dbraw/zinc/35/92/01/541359201.db2.gz ANLHSOVVZXMXTF-WDEREUQCSA-N 1 1 221.348 3.114 20 30 BGEDMO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134598877 541358837 /nfs/dbraw/zinc/35/88/37/541358837.db2.gz ANLHSOVVZXMXTF-QWRGUYRKSA-N 1 1 221.348 3.114 20 30 BGEDMO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1C ZINC000134598894 541359206 /nfs/dbraw/zinc/35/92/06/541359206.db2.gz ANLHSOVVZXMXTF-GHMZBOCLSA-N 1 1 221.348 3.114 20 30 BGEDMO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134598917 541358684 /nfs/dbraw/zinc/35/86/84/541358684.db2.gz ANLHSOVVZXMXTF-MNOVXSKESA-N 1 1 221.348 3.114 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000134637177 591942864 /nfs/dbraw/zinc/94/28/64/591942864.db2.gz YYBUHOJVVNCFPK-LBPRGKRZSA-N 1 1 242.725 3.260 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000134637199 591942868 /nfs/dbraw/zinc/94/28/68/591942868.db2.gz YYBUHOJVVNCFPK-GFCCVEGCSA-N 1 1 242.725 3.260 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000134742031 591948942 /nfs/dbraw/zinc/94/89/42/591948942.db2.gz ALKBRSSVMCVDLH-VIFPVBQESA-N 1 1 238.693 3.100 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000134742055 591948692 /nfs/dbraw/zinc/94/86/92/591948692.db2.gz ALKBRSSVMCVDLH-SECBINFHSA-N 1 1 238.693 3.100 20 30 BGEDMO CSCC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000134849998 384441472 /nfs/dbraw/zinc/44/14/72/384441472.db2.gz JLRBWETWMOKUOU-LBPRGKRZSA-N 1 1 248.395 3.132 20 30 BGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000134850017 384441948 /nfs/dbraw/zinc/44/19/48/384441948.db2.gz JLRBWETWMOKUOU-GFCCVEGCSA-N 1 1 248.395 3.132 20 30 BGEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC000134850471 325379145 /nfs/dbraw/zinc/37/91/45/325379145.db2.gz RMTBYDQQLBQIQL-LBPRGKRZSA-N 1 1 248.395 3.132 20 30 BGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC000134850486 325379221 /nfs/dbraw/zinc/37/92/21/325379221.db2.gz RMTBYDQQLBQIQL-GFCCVEGCSA-N 1 1 248.395 3.132 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000134932798 591962377 /nfs/dbraw/zinc/96/23/77/591962377.db2.gz MMQYATIGVFFZBG-ZETCQYMHSA-N 1 1 247.672 3.074 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000134932815 591961918 /nfs/dbraw/zinc/96/19/18/591961918.db2.gz MMQYATIGVFFZBG-SSDOTTSWSA-N 1 1 247.672 3.074 20 30 BGEDMO C[C@@H](C1CC1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000134965314 538114186 /nfs/dbraw/zinc/11/41/86/538114186.db2.gz IWMFQSJAPXPNTH-LBPRGKRZSA-N 1 1 247.769 3.422 20 30 BGEDMO C[C@H](C1CC1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000134965333 538114173 /nfs/dbraw/zinc/11/41/73/538114173.db2.gz IWMFQSJAPXPNTH-GFCCVEGCSA-N 1 1 247.769 3.422 20 30 BGEDMO C[C@@H](CC#N)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000134969106 364422445 /nfs/dbraw/zinc/42/24/45/364422445.db2.gz IXBPKSCLFLMKMR-QMMMGPOBSA-N 1 1 243.137 3.385 20 30 BGEDMO C[C@H](CC#N)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000134969125 343324543 /nfs/dbraw/zinc/32/45/43/343324543.db2.gz IXBPKSCLFLMKMR-MRVPVSSYSA-N 1 1 243.137 3.385 20 30 BGEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000134974044 343343169 /nfs/dbraw/zinc/34/31/69/343343169.db2.gz HQULQEOUJTVZMI-QMMMGPOBSA-N 1 1 243.137 3.385 20 30 BGEDMO C[C@H](CC#N)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000134974067 343343114 /nfs/dbraw/zinc/34/31/14/343343114.db2.gz HQULQEOUJTVZMI-MRVPVSSYSA-N 1 1 243.137 3.385 20 30 BGEDMO Cc1cc(C[NH2+]CC(C)(C)C#N)ccc1Cl ZINC000134975905 343343120 /nfs/dbraw/zinc/34/31/20/343343120.db2.gz DMZWZXONEMUIDE-UHFFFAOYSA-N 1 1 236.746 3.288 20 30 BGEDMO CC(C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000134979918 325386387 /nfs/dbraw/zinc/38/63/87/325386387.db2.gz CKHYCZCWLOFIJC-OAHLLOKOSA-N 1 1 228.339 3.036 20 30 BGEDMO CC(C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000134979937 325386261 /nfs/dbraw/zinc/38/62/61/325386261.db2.gz CKHYCZCWLOFIJC-HNNXBMFYSA-N 1 1 228.339 3.036 20 30 BGEDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000134980069 325386273 /nfs/dbraw/zinc/38/62/73/325386273.db2.gz NNWLZWGJXXGCSS-OAHLLOKOSA-N 1 1 228.339 3.036 20 30 BGEDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000134980090 325386280 /nfs/dbraw/zinc/38/62/80/325386280.db2.gz NNWLZWGJXXGCSS-HNNXBMFYSA-N 1 1 228.339 3.036 20 30 BGEDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000134980451 325386555 /nfs/dbraw/zinc/38/65/55/325386555.db2.gz GXYYGOVYRNDRTM-CYBMUJFWSA-N 1 1 246.329 3.175 20 30 BGEDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000134980466 325386257 /nfs/dbraw/zinc/38/62/57/325386257.db2.gz GXYYGOVYRNDRTM-ZDUSSCGKSA-N 1 1 246.329 3.175 20 30 BGEDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000134981234 325386404 /nfs/dbraw/zinc/38/64/04/325386404.db2.gz NYYNHNHPQBMMBO-CQSZACIVSA-N 1 1 228.339 3.036 20 30 BGEDMO CC(C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000134981254 323302028 /nfs/dbraw/zinc/30/20/28/323302028.db2.gz NYYNHNHPQBMMBO-AWEZNQCLSA-N 1 1 228.339 3.036 20 30 BGEDMO C=CC[NH+](CC#Cc1ccccc1Cl)CC=C ZINC000134981972 323178209 /nfs/dbraw/zinc/17/82/09/323178209.db2.gz CSIUOJKAMRAKAQ-UHFFFAOYSA-N 1 1 245.753 3.366 20 30 BGEDMO CC(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000134982742 325386298 /nfs/dbraw/zinc/38/62/98/325386298.db2.gz UVJYHYQLKGQGPM-CYBMUJFWSA-N 1 1 246.329 3.175 20 30 BGEDMO CC(C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000134982761 325386470 /nfs/dbraw/zinc/38/64/70/325386470.db2.gz UVJYHYQLKGQGPM-ZDUSSCGKSA-N 1 1 246.329 3.175 20 30 BGEDMO C[N@@H+](CC#Cc1ccccc1Cl)CC1CC1 ZINC000134995333 325387304 /nfs/dbraw/zinc/38/73/04/325387304.db2.gz LYRLISXSEAVOGV-UHFFFAOYSA-N 1 1 233.742 3.033 20 30 BGEDMO CC[N@@H+](CC#Cc1ccccc1Cl)C(C)C ZINC000134998730 325387400 /nfs/dbraw/zinc/38/74/00/325387400.db2.gz FLYUDVLWDPRWRO-UHFFFAOYSA-N 1 1 235.758 3.422 20 30 BGEDMO CCC[N@@H+](C)CC#Cc1ccccc1Cl ZINC000135009575 325388354 /nfs/dbraw/zinc/38/83/54/325388354.db2.gz GKKFSTKJZFNHLM-UHFFFAOYSA-N 1 1 221.731 3.033 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000135039992 325390478 /nfs/dbraw/zinc/39/04/78/325390478.db2.gz OWNPNFWZXBTFHQ-LBPRGKRZSA-N 1 1 236.746 3.430 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000135040016 325390386 /nfs/dbraw/zinc/39/03/86/325390386.db2.gz OWNPNFWZXBTFHQ-GFCCVEGCSA-N 1 1 236.746 3.430 20 30 BGEDMO C[N@@H+](CC#Cc1ccccc1Cl)CC1CCC1 ZINC000135069914 325391611 /nfs/dbraw/zinc/39/16/11/325391611.db2.gz CXSFPNLSJOILBR-UHFFFAOYSA-N 1 1 247.769 3.423 20 30 BGEDMO CC[N@@H+](CC#Cc1ccccc1Cl)CC1CC1 ZINC000135071997 325391597 /nfs/dbraw/zinc/39/15/97/325391597.db2.gz UAFXHCQMELKVNC-UHFFFAOYSA-N 1 1 247.769 3.423 20 30 BGEDMO C=CCCCCC[N@H+](C)Cc1nccs1 ZINC000135095181 353525337 /nfs/dbraw/zinc/52/53/37/353525337.db2.gz FCEIHBHSQSTNCC-UHFFFAOYSA-N 1 1 224.373 3.321 20 30 BGEDMO C=CCCCCC[N@@H+](C)Cc1nccs1 ZINC000135095181 353525334 /nfs/dbraw/zinc/52/53/34/353525334.db2.gz FCEIHBHSQSTNCC-UHFFFAOYSA-N 1 1 224.373 3.321 20 30 BGEDMO C[N@@H+](CC#Cc1ccccc1Cl)C1CCC1 ZINC000135102356 325393212 /nfs/dbraw/zinc/39/32/12/325393212.db2.gz YLKHEAVDPSBYRI-UHFFFAOYSA-N 1 1 233.742 3.176 20 30 BGEDMO C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000135111644 325393906 /nfs/dbraw/zinc/39/39/06/325393906.db2.gz GYHIKEQIFZQDPN-GFCCVEGCSA-N 1 1 233.742 3.176 20 30 BGEDMO C[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000135111644 325393905 /nfs/dbraw/zinc/39/39/05/325393905.db2.gz GYHIKEQIFZQDPN-GFCCVEGCSA-N 1 1 233.742 3.176 20 30 BGEDMO C[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000135111662 325393855 /nfs/dbraw/zinc/39/38/55/325393855.db2.gz GYHIKEQIFZQDPN-LBPRGKRZSA-N 1 1 233.742 3.176 20 30 BGEDMO C[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000135111662 325393853 /nfs/dbraw/zinc/39/38/53/325393853.db2.gz GYHIKEQIFZQDPN-LBPRGKRZSA-N 1 1 233.742 3.176 20 30 BGEDMO Cc1[nH+]ccn1Cc1ccccc1C(C)(C)C#N ZINC000135114789 345432693 /nfs/dbraw/zinc/43/26/93/345432693.db2.gz AMODOQIJUXGJMT-UHFFFAOYSA-N 1 1 239.322 3.041 20 30 BGEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2Cl)o1 ZINC000135122743 325395968 /nfs/dbraw/zinc/39/59/68/325395968.db2.gz FXTJDXBULKPDKG-UHFFFAOYSA-N 1 1 246.697 3.094 20 30 BGEDMO N#Cc1ccc(C[NH2+]Cc2cccc(Cl)c2)o1 ZINC000135122791 325395946 /nfs/dbraw/zinc/39/59/46/325395946.db2.gz LKUOXSUTBSFEHD-UHFFFAOYSA-N 1 1 246.697 3.094 20 30 BGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2)o1 ZINC000135125147 325396074 /nfs/dbraw/zinc/39/60/74/325396074.db2.gz JAHYMNGRGYBKSQ-UHFFFAOYSA-N 1 1 246.697 3.094 20 30 BGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)CC1CC1 ZINC000135132206 345433369 /nfs/dbraw/zinc/43/33/69/345433369.db2.gz FZJAIUXOVTYLOW-UHFFFAOYSA-N 1 1 242.366 3.330 20 30 BGEDMO CCC[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135159657 325397955 /nfs/dbraw/zinc/39/79/55/325397955.db2.gz YGGPKPQWYQOVJJ-UHFFFAOYSA-N 1 1 230.355 3.330 20 30 BGEDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)c(C)o1 ZINC000135166218 325398387 /nfs/dbraw/zinc/39/83/87/325398387.db2.gz PPJQJDJYFYLSKF-SNVBAGLBSA-N 1 1 244.294 3.212 20 30 BGEDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(C#N)o2)c(C)o1 ZINC000135166241 325398451 /nfs/dbraw/zinc/39/84/51/325398451.db2.gz PPJQJDJYFYLSKF-JTQLQIEISA-N 1 1 244.294 3.212 20 30 BGEDMO CC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000135181278 325399232 /nfs/dbraw/zinc/39/92/32/325399232.db2.gz JEYMXRJFFIQDKU-GFCCVEGCSA-N 1 1 235.758 3.422 20 30 BGEDMO CC[C@H](C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000135181301 325399522 /nfs/dbraw/zinc/39/95/22/325399522.db2.gz JEYMXRJFFIQDKU-LBPRGKRZSA-N 1 1 235.758 3.422 20 30 BGEDMO C=C(C)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135229619 388485953 /nfs/dbraw/zinc/48/59/53/388485953.db2.gz JVJPMMOVVHOXOI-UHFFFAOYSA-N 1 1 246.310 3.135 20 30 BGEDMO C[N@@H+](CCCC(C)(C)C#N)CCC1CC1 ZINC000135252823 388487061 /nfs/dbraw/zinc/48/70/61/388487061.db2.gz SOGPPOHTWKOGSY-UHFFFAOYSA-N 1 1 208.349 3.048 20 30 BGEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CCC1 ZINC000135255008 345436928 /nfs/dbraw/zinc/43/69/28/345436928.db2.gz FQUWZKPQSYFOCC-UHFFFAOYSA-N 1 1 242.366 3.472 20 30 BGEDMO C[N@H+](CC#Cc1ccccc1Cl)CCC1CC1 ZINC000135256562 384573577 /nfs/dbraw/zinc/57/35/77/384573577.db2.gz JSYPLCVGZUBGJY-UHFFFAOYSA-N 1 1 247.769 3.423 20 30 BGEDMO C[C@@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135264430 345436550 /nfs/dbraw/zinc/43/65/50/345436550.db2.gz WQZRDNUZLLXARN-CYBMUJFWSA-N 1 1 242.366 3.472 20 30 BGEDMO C[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135264447 345436942 /nfs/dbraw/zinc/43/69/42/345436942.db2.gz WQZRDNUZLLXARN-ZDUSSCGKSA-N 1 1 242.366 3.472 20 30 BGEDMO C[N@H+](CC#Cc1cccc(Cl)c1)CCC1CC1 ZINC000135274227 388487523 /nfs/dbraw/zinc/48/75/23/388487523.db2.gz ZDSZURSRPRETHD-UHFFFAOYSA-N 1 1 247.769 3.423 20 30 BGEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)CCC1CC1 ZINC000135310220 388490888 /nfs/dbraw/zinc/49/08/88/388490888.db2.gz CMVQPOVHOSRGAG-UHFFFAOYSA-N 1 1 247.769 3.423 20 30 BGEDMO CC(C)CC[C@@H]1CCC[N@H+]1CCCC#N ZINC000135321236 345438414 /nfs/dbraw/zinc/43/84/14/345438414.db2.gz QQIKGIYCYBKCBY-ZDUSSCGKSA-N 1 1 208.349 3.191 20 30 BGEDMO CC(C)CC[C@H]1CCC[N@H+]1CCCC#N ZINC000135321257 358831502 /nfs/dbraw/zinc/83/15/02/358831502.db2.gz QQIKGIYCYBKCBY-CYBMUJFWSA-N 1 1 208.349 3.191 20 30 BGEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCCC#N ZINC000135353908 358833570 /nfs/dbraw/zinc/83/35/70/358833570.db2.gz DEJFQQHPDBUVGP-OLZOCXBDSA-N 1 1 208.349 3.191 20 30 BGEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CCCC#N ZINC000135353930 358833535 /nfs/dbraw/zinc/83/35/35/358833535.db2.gz DEJFQQHPDBUVGP-STQMWFEESA-N 1 1 208.349 3.191 20 30 BGEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CCCC#N ZINC000135353950 358833428 /nfs/dbraw/zinc/83/34/28/358833428.db2.gz DEJFQQHPDBUVGP-CHWSQXEVSA-N 1 1 208.349 3.191 20 30 BGEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CCCC#N ZINC000135353970 358833106 /nfs/dbraw/zinc/83/31/06/358833106.db2.gz DEJFQQHPDBUVGP-QWHCGFSZSA-N 1 1 208.349 3.191 20 30 BGEDMO N#CCC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000135365570 358834983 /nfs/dbraw/zinc/83/49/83/358834983.db2.gz PNPBFDYQBQYJGY-MRXNPFEDSA-N 1 1 242.366 3.387 20 30 BGEDMO N#CCC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000135365588 358834340 /nfs/dbraw/zinc/83/43/40/358834340.db2.gz PNPBFDYQBQYJGY-INIZCTEOSA-N 1 1 242.366 3.387 20 30 BGEDMO CC(C)[N@@H+](CCCC(C)(C)C#N)CC(F)F ZINC000135395857 388494356 /nfs/dbraw/zinc/49/43/56/388494356.db2.gz OFLUTSCUZAYBGH-UHFFFAOYSA-N 1 1 232.318 3.292 20 30 BGEDMO CC(C)[N@H+](CCCC(C)(C)C#N)CC(F)F ZINC000135395857 388494354 /nfs/dbraw/zinc/49/43/54/388494354.db2.gz OFLUTSCUZAYBGH-UHFFFAOYSA-N 1 1 232.318 3.292 20 30 BGEDMO CC[C@@H]1CCCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000135410351 344266295 /nfs/dbraw/zinc/26/62/95/344266295.db2.gz BBNITGPRFWOYKV-OAHLLOKOSA-N 1 1 243.354 3.108 20 30 BGEDMO CC[C@H]1CCCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000135410368 344266249 /nfs/dbraw/zinc/26/62/49/344266249.db2.gz BBNITGPRFWOYKV-HNNXBMFYSA-N 1 1 243.354 3.108 20 30 BGEDMO CSC[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000135455163 388496861 /nfs/dbraw/zinc/49/68/61/388496861.db2.gz LTXRXSUTDQONBW-GFCCVEGCSA-N 1 1 240.416 3.144 20 30 BGEDMO CSC[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000135455183 388496521 /nfs/dbraw/zinc/49/65/21/388496521.db2.gz LTXRXSUTDQONBW-LBPRGKRZSA-N 1 1 240.416 3.144 20 30 BGEDMO CC(C)CCC(N)=[NH+]OCCCC(C)(C)C#N ZINC000135493269 592014618 /nfs/dbraw/zinc/01/46/18/592014618.db2.gz NHAZRHLJNDZFJN-UHFFFAOYSA-N 1 1 239.363 3.041 20 30 BGEDMO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccco1 ZINC000135495835 344483466 /nfs/dbraw/zinc/48/34/66/344483466.db2.gz AMPUNOVPVVDXEV-VIFPVBQESA-N 1 1 232.308 3.064 20 30 BGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccco1 ZINC000135495855 344483430 /nfs/dbraw/zinc/48/34/30/344483430.db2.gz AMPUNOVPVVDXEV-SECBINFHSA-N 1 1 232.308 3.064 20 30 BGEDMO C[C@@H]1[C@H](C)SCC[N@H+]1CCCC(C)(C)C#N ZINC000135534879 398135535 /nfs/dbraw/zinc/13/55/35/398135535.db2.gz QQSXMILKFMGNDZ-NEPJUHHUSA-N 1 1 240.416 3.142 20 30 BGEDMO C[C@@H]1SCC[N@@H+](CCCC(C)(C)C#N)[C@H]1C ZINC000135534899 398135177 /nfs/dbraw/zinc/13/51/77/398135177.db2.gz QQSXMILKFMGNDZ-RYUDHWBXSA-N 1 1 240.416 3.142 20 30 BGEDMO C[C@H]1SCC[N@@H+](CCCC(C)(C)C#N)[C@@H]1C ZINC000135534918 398135419 /nfs/dbraw/zinc/13/54/19/398135419.db2.gz QQSXMILKFMGNDZ-VXGBXAGGSA-N 1 1 240.416 3.142 20 30 BGEDMO C[C@H]1SCC[N@@H+](CCCC(C)(C)C#N)[C@H]1C ZINC000135534938 398135448 /nfs/dbraw/zinc/13/54/48/398135448.db2.gz QQSXMILKFMGNDZ-NWDGAFQWSA-N 1 1 240.416 3.142 20 30 BGEDMO CSCC[C@H](C)[N@@H+](C)CCCC(C)(C)C#N ZINC000135534989 358843274 /nfs/dbraw/zinc/84/32/74/358843274.db2.gz TXGHQFSCAUAFKD-LBPRGKRZSA-N 1 1 242.432 3.390 20 30 BGEDMO CSCC[C@@H](C)[N@@H+](C)CCCC(C)(C)C#N ZINC000135535006 358843574 /nfs/dbraw/zinc/84/35/74/358843574.db2.gz TXGHQFSCAUAFKD-GFCCVEGCSA-N 1 1 242.432 3.390 20 30 BGEDMO C[C@@H]1C[C@H](C)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000135535071 387821149 /nfs/dbraw/zinc/82/11/49/387821149.db2.gz SDNMNUDLOZYTBD-NEPJUHHUSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@H]1C[C@H](C)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000135535088 398135121 /nfs/dbraw/zinc/13/51/21/398135121.db2.gz SDNMNUDLOZYTBD-RYUDHWBXSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@@H]1C[C@@H](C)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000135535104 398135058 /nfs/dbraw/zinc/13/50/58/398135058.db2.gz SDNMNUDLOZYTBD-VXGBXAGGSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@@H]1C[C@H](C)C[N@@H+]1CCCC(C)(C)C#N ZINC000135535124 398135320 /nfs/dbraw/zinc/13/53/20/398135320.db2.gz SDNMNUDLOZYTBD-NWDGAFQWSA-N 1 1 208.349 3.047 20 30 BGEDMO CC[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CCS1 ZINC000135535196 398135526 /nfs/dbraw/zinc/13/55/26/398135526.db2.gz OZDHCMIICPWAFX-GFCCVEGCSA-N 1 1 240.416 3.144 20 30 BGEDMO CC[C@H]1C[N@@H+](CCCC(C)(C)C#N)CCS1 ZINC000135535214 398135328 /nfs/dbraw/zinc/13/53/28/398135328.db2.gz OZDHCMIICPWAFX-LBPRGKRZSA-N 1 1 240.416 3.144 20 30 BGEDMO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccsc1 ZINC000135560033 344749316 /nfs/dbraw/zinc/74/93/16/344749316.db2.gz YCJNXQZBDBZOHC-VIFPVBQESA-N 1 1 232.308 3.064 20 30 BGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccsc1 ZINC000135560049 344749281 /nfs/dbraw/zinc/74/92/81/344749281.db2.gz YCJNXQZBDBZOHC-SECBINFHSA-N 1 1 232.308 3.064 20 30 BGEDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)o1 ZINC000135671046 384244245 /nfs/dbraw/zinc/24/42/45/384244245.db2.gz XCASTAOMIJKUHG-SNVBAGLBSA-N 1 1 246.335 3.372 20 30 BGEDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)o1 ZINC000135671079 325421984 /nfs/dbraw/zinc/42/19/84/325421984.db2.gz XCASTAOMIJKUHG-JTQLQIEISA-N 1 1 246.335 3.372 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000135833374 364450520 /nfs/dbraw/zinc/45/05/20/364450520.db2.gz VGFJSQNRLIXAKB-QMMMGPOBSA-N 1 1 231.673 3.368 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000135833416 364450208 /nfs/dbraw/zinc/45/02/08/364450208.db2.gz VGFJSQNRLIXAKB-MRVPVSSYSA-N 1 1 231.673 3.368 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000135833480 364450398 /nfs/dbraw/zinc/45/03/98/364450398.db2.gz DBVJYHQQYYQLSK-QMMMGPOBSA-N 1 1 231.673 3.368 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000135833514 364450801 /nfs/dbraw/zinc/45/08/01/364450801.db2.gz DBVJYHQQYYQLSK-MRVPVSSYSA-N 1 1 231.673 3.368 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000135834939 592059783 /nfs/dbraw/zinc/05/97/83/592059783.db2.gz IYXZTWSOAQWGPG-LLVKDONJSA-N 1 1 239.746 3.407 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000135834967 592060205 /nfs/dbraw/zinc/06/02/05/592060205.db2.gz IYXZTWSOAQWGPG-NSHDSACASA-N 1 1 239.746 3.407 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000135836394 353585424 /nfs/dbraw/zinc/58/54/24/353585424.db2.gz CEJNIDUEJYTABJ-VIFPVBQESA-N 1 1 243.709 3.237 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000135836428 353584373 /nfs/dbraw/zinc/58/43/73/353584373.db2.gz CEJNIDUEJYTABJ-SECBINFHSA-N 1 1 243.709 3.237 20 30 BGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCC(C)(C)C#N ZINC000136157882 364463980 /nfs/dbraw/zinc/46/39/80/364463980.db2.gz HGTLKRNNUSOBKO-NWDGAFQWSA-N 1 1 208.349 3.189 20 30 BGEDMO CC[C@H]1CC[C@H](C)[N@H+]1CCC(C)(C)C#N ZINC000136157922 364463636 /nfs/dbraw/zinc/46/36/36/364463636.db2.gz HGTLKRNNUSOBKO-RYUDHWBXSA-N 1 1 208.349 3.189 20 30 BGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(C)(C)C#N ZINC000136157954 364463520 /nfs/dbraw/zinc/46/35/20/364463520.db2.gz HGTLKRNNUSOBKO-VXGBXAGGSA-N 1 1 208.349 3.189 20 30 BGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCC(C)(C)C#N ZINC000136157977 364463320 /nfs/dbraw/zinc/46/33/20/364463320.db2.gz HGTLKRNNUSOBKO-NEPJUHHUSA-N 1 1 208.349 3.189 20 30 BGEDMO Cc1cc(Cl)ccc1C[NH+]1CCC(C#N)CC1 ZINC000136177904 384645820 /nfs/dbraw/zinc/64/58/20/384645820.db2.gz BPMKEEYFVRLVMX-UHFFFAOYSA-N 1 1 248.757 3.384 20 30 BGEDMO Cc1cc(Cl)ccc1C[N@H+](C)[C@@H](C)CC#N ZINC000136187503 345485683 /nfs/dbraw/zinc/48/56/83/345485683.db2.gz CXETYDBFJBGTHB-NSHDSACASA-N 1 1 236.746 3.382 20 30 BGEDMO Cc1cc(Cl)ccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000136187503 345485681 /nfs/dbraw/zinc/48/56/81/345485681.db2.gz CXETYDBFJBGTHB-NSHDSACASA-N 1 1 236.746 3.382 20 30 BGEDMO Cc1cc(Cl)ccc1C[N@H+](C)[C@H](C)CC#N ZINC000136187543 345485642 /nfs/dbraw/zinc/48/56/42/345485642.db2.gz CXETYDBFJBGTHB-LLVKDONJSA-N 1 1 236.746 3.382 20 30 BGEDMO Cc1cc(Cl)ccc1C[N@@H+](C)[C@H](C)CC#N ZINC000136187543 345485640 /nfs/dbraw/zinc/48/56/40/345485640.db2.gz CXETYDBFJBGTHB-LLVKDONJSA-N 1 1 236.746 3.382 20 30 BGEDMO C=C(C)C[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)CC ZINC000136802966 388548883 /nfs/dbraw/zinc/54/88/83/388548883.db2.gz KLAKNMWRAUZXIM-GFCCVEGCSA-N 1 1 241.375 3.005 20 30 BGEDMO C=C(C)C[N@H+](CC(=O)OC(C)(C)C)[C@H](C)CC ZINC000136802966 388548879 /nfs/dbraw/zinc/54/88/79/388548879.db2.gz KLAKNMWRAUZXIM-GFCCVEGCSA-N 1 1 241.375 3.005 20 30 BGEDMO C=C(C)C[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000136803022 388549407 /nfs/dbraw/zinc/54/94/07/388549407.db2.gz KLAKNMWRAUZXIM-LBPRGKRZSA-N 1 1 241.375 3.005 20 30 BGEDMO C=C(C)C[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000136803022 388549405 /nfs/dbraw/zinc/54/94/05/388549405.db2.gz KLAKNMWRAUZXIM-LBPRGKRZSA-N 1 1 241.375 3.005 20 30 BGEDMO C[C@H]1CCC[N@@H+](CC#Cc2ccccc2)[C@H]1C ZINC000136956907 345679774 /nfs/dbraw/zinc/67/97/74/345679774.db2.gz YBVPKXXAECZVRA-GJZGRUSLSA-N 1 1 227.351 3.159 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Cl)cc1C ZINC000136960120 388552887 /nfs/dbraw/zinc/55/28/87/388552887.db2.gz CUAYBMXRRKFCTM-ZDUSSCGKSA-N 1 1 236.746 3.430 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Cl)cc1C ZINC000136960159 388552703 /nfs/dbraw/zinc/55/27/03/388552703.db2.gz CUAYBMXRRKFCTM-CYBMUJFWSA-N 1 1 236.746 3.430 20 30 BGEDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000138727485 343119857 /nfs/dbraw/zinc/11/98/57/343119857.db2.gz XBVKXYYGNSDSSB-KGLIPLIRSA-N 1 1 242.366 3.373 20 30 BGEDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000138727619 350837090 /nfs/dbraw/zinc/83/70/90/350837090.db2.gz XBVKXYYGNSDSSB-KBPBESRZSA-N 1 1 242.366 3.373 20 30 BGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000138727736 350837239 /nfs/dbraw/zinc/83/72/39/350837239.db2.gz XBVKXYYGNSDSSB-ZIAGYGMSSA-N 1 1 242.366 3.373 20 30 BGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000138727860 343119613 /nfs/dbraw/zinc/11/96/13/343119613.db2.gz XBVKXYYGNSDSSB-UONOGXRCSA-N 1 1 242.366 3.373 20 30 BGEDMO CCCCCCCCCN1CC[NH+](CC)CC1 ZINC000139502173 712658840 /nfs/dbraw/zinc/65/88/40/712658840.db2.gz IUQZYPMVFGUKHZ-UHFFFAOYSA-N 1 1 240.435 3.375 20 30 BGEDMO C[C@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC000139880299 388653717 /nfs/dbraw/zinc/65/37/17/388653717.db2.gz WTVHRNCZBRUURT-GJZGRUSLSA-N 1 1 227.351 3.159 20 30 BGEDMO C[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000139970742 364615261 /nfs/dbraw/zinc/61/52/61/364615261.db2.gz XGLQTEWIGVUZLG-CYBMUJFWSA-N 1 1 247.769 3.423 20 30 BGEDMO C[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000139970898 364615495 /nfs/dbraw/zinc/61/54/95/364615495.db2.gz XGLQTEWIGVUZLG-ZDUSSCGKSA-N 1 1 247.769 3.423 20 30 BGEDMO C=CC[N@H+](CCC)[C@H]1CCc2ccccc2C1 ZINC000140662315 345696992 /nfs/dbraw/zinc/69/69/92/345696992.db2.gz PRNZPWFUCWBERV-INIZCTEOSA-N 1 1 229.367 3.442 20 30 BGEDMO C=C(Br)C[N@@H+]1CCC[C@H]1C(C)C ZINC000143287140 711784017 /nfs/dbraw/zinc/78/40/17/711784017.db2.gz GLSVSWIGWQRCGI-JTQLQIEISA-N 1 1 232.165 3.015 20 30 BGEDMO C[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000146291703 345713022 /nfs/dbraw/zinc/71/30/22/345713022.db2.gz AIHMKDXJQVUMAW-CYBMUJFWSA-N 1 1 247.769 3.423 20 30 BGEDMO C[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000146291889 345713105 /nfs/dbraw/zinc/71/31/05/345713105.db2.gz AIHMKDXJQVUMAW-ZDUSSCGKSA-N 1 1 247.769 3.423 20 30 BGEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000147519441 345712797 /nfs/dbraw/zinc/71/27/97/345712797.db2.gz ZNUDSCCTVRIKQZ-MRXNPFEDSA-N 1 1 242.366 3.426 20 30 BGEDMO CC(C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000147519624 345712715 /nfs/dbraw/zinc/71/27/15/345712715.db2.gz ZNUDSCCTVRIKQZ-INIZCTEOSA-N 1 1 242.366 3.426 20 30 BGEDMO N#CCCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000148494085 181036148 /nfs/dbraw/zinc/03/61/48/181036148.db2.gz XCBIEZVMMQJTHY-UHFFFAOYSA-N 1 1 244.313 3.219 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000150140373 398332014 /nfs/dbraw/zinc/33/20/14/398332014.db2.gz PAULVMZAZTYLGN-LBPRGKRZSA-N 1 1 238.281 3.406 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000150140564 322982066 /nfs/dbraw/zinc/98/20/66/322982066.db2.gz PAULVMZAZTYLGN-GFCCVEGCSA-N 1 1 238.281 3.406 20 30 BGEDMO C=CCCCCC[N@H+](C)Cc1cc(C)on1 ZINC000150875522 384506110 /nfs/dbraw/zinc/50/61/10/384506110.db2.gz ZRMHLJNOLWIINV-UHFFFAOYSA-N 1 1 222.332 3.161 20 30 BGEDMO 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ZINC000156726217 388027029 /nfs/dbraw/zinc/02/70/29/388027029.db2.gz SCBUPPRMKQTUQP-ZDUSSCGKSA-N 1 1 245.341 3.298 20 30 BGEDMO C[C@@H]([N@@H+](C)CC#Cc1ccc(F)cc1)C1(C)CC1 ZINC000156726358 388025810 /nfs/dbraw/zinc/02/58/10/388025810.db2.gz SCBUPPRMKQTUQP-CYBMUJFWSA-N 1 1 245.341 3.298 20 30 BGEDMO CC#CCC[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000156759792 384934381 /nfs/dbraw/zinc/93/43/81/384934381.db2.gz LZQOSESNZREZOO-LBPRGKRZSA-N 1 1 217.312 3.218 20 30 BGEDMO CC#CCC[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000156759945 384930209 /nfs/dbraw/zinc/93/02/09/384930209.db2.gz LZQOSESNZREZOO-GFCCVEGCSA-N 1 1 217.312 3.218 20 30 BGEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CCCC#N ZINC000156763303 384948544 /nfs/dbraw/zinc/94/85/44/384948544.db2.gz NUJLWSUGKDPWCE-LBPRGKRZSA-N 1 1 208.349 3.191 20 30 BGEDMO CCC(C)(C)[C@H]1CCC[N@H+]1CCCC#N ZINC000156763436 384950087 /nfs/dbraw/zinc/95/00/87/384950087.db2.gz NUJLWSUGKDPWCE-GFCCVEGCSA-N 1 1 208.349 3.191 20 30 BGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000156861085 386645632 /nfs/dbraw/zinc/64/56/32/386645632.db2.gz FGPQAJFAGDMJNC-BETUJISGSA-N 1 1 231.314 3.050 20 30 BGEDMO Fc1ccc(C#CC[N@H+]2CCC3(CCC3)C2)cc1 ZINC000156868958 191087168 /nfs/dbraw/zinc/08/71/68/191087168.db2.gz LVHURIAJWCWECW-UHFFFAOYSA-N 1 1 243.325 3.053 20 30 BGEDMO C=CC[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000156888742 343839905 /nfs/dbraw/zinc/83/99/05/343839905.db2.gz LNNVCUVUUHQLBS-CYBMUJFWSA-N 1 1 203.329 3.044 20 30 BGEDMO C=CC[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000156888892 371508599 /nfs/dbraw/zinc/50/85/99/371508599.db2.gz LNNVCUVUUHQLBS-ZDUSSCGKSA-N 1 1 203.329 3.044 20 30 BGEDMO CC[N@@H+](Cc1ccc(C#N)o1)C1CCCCC1 ZINC000156949481 371510419 /nfs/dbraw/zinc/51/04/19/371510419.db2.gz BBMVZDWPMCOTJD-UHFFFAOYSA-N 1 1 232.327 3.306 20 30 BGEDMO CC(C)[C@@H](C)[N@@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000156979680 167371678 /nfs/dbraw/zinc/37/16/78/167371678.db2.gz ZCKOHASHLJKPBI-LLVKDONJSA-N 1 1 232.327 3.160 20 30 BGEDMO CC(C)[C@H](C)[N@@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000156979832 188333813 /nfs/dbraw/zinc/33/38/13/188333813.db2.gz ZCKOHASHLJKPBI-NSHDSACASA-N 1 1 232.327 3.160 20 30 BGEDMO CCC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000157136869 387748145 /nfs/dbraw/zinc/74/81/45/387748145.db2.gz UHLIRVAPVKAYQQ-UHFFFAOYSA-N 1 1 221.731 3.033 20 30 BGEDMO CC#CCC[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000157144764 326258844 /nfs/dbraw/zinc/25/88/44/326258844.db2.gz CETFTLFWBGDJBJ-UHFFFAOYSA-N 1 1 245.366 3.319 20 30 BGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)CC1CCCC1 ZINC000157151192 326258765 /nfs/dbraw/zinc/25/87/65/326258765.db2.gz RGYLRKDPYKIIFM-UHFFFAOYSA-N 1 1 245.341 3.299 20 30 BGEDMO C#CC[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000157170826 632419100 /nfs/dbraw/zinc/41/91/00/632419100.db2.gz ORDKHKPUIYLDRL-QMMMGPOBSA-N 1 1 228.122 3.277 20 30 BGEDMO C#CC[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000157170974 632419448 /nfs/dbraw/zinc/41/94/48/632419448.db2.gz ORDKHKPUIYLDRL-MRVPVSSYSA-N 1 1 228.122 3.277 20 30 BGEDMO C#CC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000157209501 326261642 /nfs/dbraw/zinc/26/16/42/326261642.db2.gz SLJXJWHWBCTWKK-NSHDSACASA-N 1 1 242.347 3.094 20 30 BGEDMO C#CC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000157209649 326261983 /nfs/dbraw/zinc/26/19/83/326261983.db2.gz SLJXJWHWBCTWKK-LLVKDONJSA-N 1 1 242.347 3.094 20 30 BGEDMO CC(C)OCCC[N@@H+](CCC#N)CC(C)(C)C ZINC000157239936 387117117 /nfs/dbraw/zinc/11/71/17/387117117.db2.gz VUNRKAWOKUFHNJ-UHFFFAOYSA-N 1 1 240.391 3.063 20 30 BGEDMO CCCCOCC[N@@H+](CCC#N)CC(C)(C)C ZINC000157249320 385116901 /nfs/dbraw/zinc/11/69/01/385116901.db2.gz HDXHPWSBQRIMPK-UHFFFAOYSA-N 1 1 240.391 3.065 20 30 BGEDMO CCCCOCC[N@H+](CCC#N)CC(C)(C)C ZINC000157249320 385116895 /nfs/dbraw/zinc/11/68/95/385116895.db2.gz HDXHPWSBQRIMPK-UHFFFAOYSA-N 1 1 240.391 3.065 20 30 BGEDMO CCCCCCCC[N@@H+](C)Cc1cnn(C)c1 ZINC000157344325 641617746 /nfs/dbraw/zinc/61/77/46/641617746.db2.gz CKLMZJTWBLOZIC-UHFFFAOYSA-N 1 1 237.391 3.212 20 30 BGEDMO CC#CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000157376208 323008505 /nfs/dbraw/zinc/00/85/05/323008505.db2.gz ZRNAUJLPJURJSA-UHFFFAOYSA-N 1 1 241.256 3.161 20 30 BGEDMO C=CC[N@H+](CCCSC)Cc1cccs1 ZINC000157432799 385177840 /nfs/dbraw/zinc/17/78/40/385177840.db2.gz XIZXLMIOMLMZJV-UHFFFAOYSA-N 1 1 241.425 3.489 20 30 BGEDMO Cc1ccc(NCC(C)(C)CCC#N)[nH+]c1 ZINC000157459793 385166079 /nfs/dbraw/zinc/16/60/79/385166079.db2.gz ACXZAQLNJOSNLJ-UHFFFAOYSA-N 1 1 217.316 3.132 20 30 BGEDMO C=CCCCCC[N@H+](C)C[C@H](C#N)CCC#N ZINC000157459848 187297639 /nfs/dbraw/zinc/29/76/39/187297639.db2.gz YVTZTZSSOKUWBH-AWEZNQCLSA-N 1 1 233.359 3.108 20 30 BGEDMO C=CCCCCC[N@H+](C)C[C@@H](C#N)CCC#N ZINC000157460015 385175004 /nfs/dbraw/zinc/17/50/04/385175004.db2.gz YVTZTZSSOKUWBH-CQSZACIVSA-N 1 1 233.359 3.108 20 30 BGEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000157461254 346382951 /nfs/dbraw/zinc/38/29/51/346382951.db2.gz CEGDIVJSUUHUNR-LLVKDONJSA-N 1 1 234.368 3.384 20 30 BGEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000157461415 388835735 /nfs/dbraw/zinc/83/57/35/388835735.db2.gz CEGDIVJSUUHUNR-NSHDSACASA-N 1 1 234.368 3.384 20 30 BGEDMO C=CCCCCC[N@H+](C)C/C=C/Cl ZINC000157461757 711828011 /nfs/dbraw/zinc/82/80/11/711828011.db2.gz DNYJEMUUNYFAOE-CMDGGOBGSA-N 1 1 201.741 3.417 20 30 BGEDMO CC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000157466399 326276508 /nfs/dbraw/zinc/27/65/08/326276508.db2.gz IBJYGWVAMABDOA-GFCCVEGCSA-N 1 1 234.368 3.384 20 30 BGEDMO CC[C@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000157466562 326276532 /nfs/dbraw/zinc/27/65/32/326276532.db2.gz IBJYGWVAMABDOA-LBPRGKRZSA-N 1 1 234.368 3.384 20 30 BGEDMO CCCCCCC[N@@H+](C)C1CCN(CC)CC1 ZINC000157480668 640688576 /nfs/dbraw/zinc/68/85/76/640688576.db2.gz AYVAYJHGVPFGHK-UHFFFAOYSA-N 1 1 240.435 3.373 20 30 BGEDMO C[N@@H+](Cc1cc(C#N)cs1)C1CCCCC1 ZINC000157510463 326279516 /nfs/dbraw/zinc/27/95/16/326279516.db2.gz SCTGTHIIKDPNFP-UHFFFAOYSA-N 1 1 234.368 3.384 20 30 BGEDMO N#Cc1ccc(CNc2cccc3cc[nH+]cc32)o1 ZINC000157540694 326281557 /nfs/dbraw/zinc/28/15/57/326281557.db2.gz LICDRYMQBVWZPB-UHFFFAOYSA-N 1 1 249.273 3.312 20 30 BGEDMO CCCCCCC[N@@H+](C)Cc1cc(C)on1 ZINC000157557791 711828514 /nfs/dbraw/zinc/82/85/14/711828514.db2.gz BPZBQDCRIOZDJY-UHFFFAOYSA-N 1 1 224.348 3.385 20 30 BGEDMO CCCCCCC[N@H+](C)Cc1cc(C)on1 ZINC000157557791 711828513 /nfs/dbraw/zinc/82/85/13/711828513.db2.gz BPZBQDCRIOZDJY-UHFFFAOYSA-N 1 1 224.348 3.385 20 30 BGEDMO CC#CC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000157560683 342804086 /nfs/dbraw/zinc/80/40/86/342804086.db2.gz ADYNJKGBSDNDJE-UHFFFAOYSA-N 1 1 241.256 3.161 20 30 BGEDMO CC#CCC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000157571888 326284105 /nfs/dbraw/zinc/28/41/05/326284105.db2.gz GMRFSJKDZNQYKI-UHFFFAOYSA-N 1 1 233.742 3.112 20 30 BGEDMO CC#CCC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000157572964 326284194 /nfs/dbraw/zinc/28/41/94/326284194.db2.gz RVRXKEVPHVQEHK-UHFFFAOYSA-N 1 1 239.721 3.324 20 30 BGEDMO CCCCCCC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000157581626 641620911 /nfs/dbraw/zinc/62/09/11/641620911.db2.gz MTZKTSAEOMFBOY-AWEZNQCLSA-N 1 1 239.403 3.458 20 30 BGEDMO CCCCCCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000157581777 641621012 /nfs/dbraw/zinc/62/10/12/641621012.db2.gz MTZKTSAEOMFBOY-CQSZACIVSA-N 1 1 239.403 3.458 20 30 BGEDMO CC#CC[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000157584403 384223386 /nfs/dbraw/zinc/22/33/86/384223386.db2.gz MHHOCWXLFIMTJE-LBPRGKRZSA-N 1 1 227.307 3.449 20 30 BGEDMO CC#CC[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000157584552 345264177 /nfs/dbraw/zinc/26/41/77/345264177.db2.gz MHHOCWXLFIMTJE-GFCCVEGCSA-N 1 1 227.307 3.449 20 30 BGEDMO C=C(Cl)C[N@H+](C(C)C)C1CCCC1 ZINC000157607380 640696060 /nfs/dbraw/zinc/69/60/60/640696060.db2.gz DQJGEKIWCSIPRQ-UHFFFAOYSA-N 1 1 201.741 3.392 20 30 BGEDMO C=CC[N@H+](CCCSC)Cc1ccccc1 ZINC000157620519 385233894 /nfs/dbraw/zinc/23/38/94/385233894.db2.gz FJSPLZRYTVIZOX-UHFFFAOYSA-N 1 1 235.396 3.428 20 30 BGEDMO CCOc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000157624367 385230140 /nfs/dbraw/zinc/23/01/40/385230140.db2.gz KOHGNKAUOYRSMW-ZDUSSCGKSA-N 1 1 246.354 3.067 20 30 BGEDMO CCOc1ccc(C[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000157624367 385230137 /nfs/dbraw/zinc/23/01/37/385230137.db2.gz KOHGNKAUOYRSMW-ZDUSSCGKSA-N 1 1 246.354 3.067 20 30 BGEDMO CCOc1ccc(C[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000157624524 385231524 /nfs/dbraw/zinc/23/15/24/385231524.db2.gz KOHGNKAUOYRSMW-CYBMUJFWSA-N 1 1 246.354 3.067 20 30 BGEDMO CCOc1ccc(C[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000157624524 385231523 /nfs/dbraw/zinc/23/15/23/385231523.db2.gz KOHGNKAUOYRSMW-CYBMUJFWSA-N 1 1 246.354 3.067 20 30 BGEDMO CC#CC[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000157694669 342820267 /nfs/dbraw/zinc/82/02/67/342820267.db2.gz UBQQDUHYURZFHU-ZDUSSCGKSA-N 1 1 201.313 3.011 20 30 BGEDMO CC#CC[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000157694835 385227735 /nfs/dbraw/zinc/22/77/35/385227735.db2.gz UBQQDUHYURZFHU-CYBMUJFWSA-N 1 1 201.313 3.011 20 30 BGEDMO C[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000157721488 326292801 /nfs/dbraw/zinc/29/28/01/326292801.db2.gz IBULCTOJZMMCJJ-GFCCVEGCSA-N 1 1 208.349 3.048 20 30 BGEDMO C[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000157721623 326292456 /nfs/dbraw/zinc/29/24/56/326292456.db2.gz IBULCTOJZMMCJJ-LBPRGKRZSA-N 1 1 208.349 3.048 20 30 BGEDMO CC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000157733269 384298030 /nfs/dbraw/zinc/29/80/30/384298030.db2.gz YKWBEXAXEMFTBU-HNNXBMFYSA-N 1 1 246.329 3.462 20 30 BGEDMO C[N@@H+](Cc1cc(F)ccc1C#N)C1CCCCC1 ZINC000157736573 384298949 /nfs/dbraw/zinc/29/89/49/384298949.db2.gz ODWOHYIRHGXEQL-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO CCCCCCC[N@@H+](CC)Cc1cnn(C)c1 ZINC000157747142 640729506 /nfs/dbraw/zinc/72/95/06/640729506.db2.gz XMEWSJWPCAHSRU-UHFFFAOYSA-N 1 1 237.391 3.212 20 30 BGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000157751098 177313782 /nfs/dbraw/zinc/31/37/82/177313782.db2.gz QJZVUVJSXGNJPC-TXEJJXNPSA-N 1 1 246.329 3.175 20 30 BGEDMO CCCCCCC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000157781919 641622083 /nfs/dbraw/zinc/62/20/83/641622083.db2.gz YRIXMBGBFMNYDW-KGLIPLIRSA-N 1 1 226.408 3.029 20 30 BGEDMO C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000157782340 176073897 /nfs/dbraw/zinc/07/38/97/176073897.db2.gz PERKKNCPVJGVMF-LLVKDONJSA-N 1 1 232.302 3.072 20 30 BGEDMO C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000157782340 176073894 /nfs/dbraw/zinc/07/38/94/176073894.db2.gz PERKKNCPVJGVMF-LLVKDONJSA-N 1 1 232.302 3.072 20 30 BGEDMO C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000157782478 177077688 /nfs/dbraw/zinc/07/76/88/177077688.db2.gz PERKKNCPVJGVMF-NSHDSACASA-N 1 1 232.302 3.072 20 30 BGEDMO C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000157782478 177077687 /nfs/dbraw/zinc/07/76/87/177077687.db2.gz PERKKNCPVJGVMF-NSHDSACASA-N 1 1 232.302 3.072 20 30 BGEDMO CCCCCCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000157783709 643618215 /nfs/dbraw/zinc/61/82/15/643618215.db2.gz FLYBIMJXPZCBJK-ZDUSSCGKSA-N 1 1 213.365 3.068 20 30 BGEDMO CCCCCCC[N@@H+](C)C[C@H]1CCCO1 ZINC000157783868 643628110 /nfs/dbraw/zinc/62/81/10/643628110.db2.gz FLYBIMJXPZCBJK-CYBMUJFWSA-N 1 1 213.365 3.068 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1c(C)nc2ccccn21 ZINC000157786187 326295823 /nfs/dbraw/zinc/29/58/23/326295823.db2.gz AEHVZSSGTXKVGE-UHFFFAOYSA-N 1 1 243.354 3.041 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)ccc1C#N ZINC000157786897 385521819 /nfs/dbraw/zinc/52/18/19/385521819.db2.gz SJDMEXLNRZTHGY-UHFFFAOYSA-N 1 1 232.302 3.095 20 30 BGEDMO C=C(C)C[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC000157786897 385521818 /nfs/dbraw/zinc/52/18/18/385521818.db2.gz SJDMEXLNRZTHGY-UHFFFAOYSA-N 1 1 232.302 3.095 20 30 BGEDMO C[N@@H+](CCC#N)CC1CCC(C)(C)CC1 ZINC000157791470 398342943 /nfs/dbraw/zinc/34/29/43/398342943.db2.gz WJRGPWAOUMQOCI-UHFFFAOYSA-N 1 1 208.349 3.048 20 30 BGEDMO CCCCCCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000157798321 385281274 /nfs/dbraw/zinc/28/12/74/385281274.db2.gz AVPSJMLJNUKFSI-HNNXBMFYSA-N 1 1 238.419 3.127 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000157798321 385281270 /nfs/dbraw/zinc/28/12/70/385281270.db2.gz AVPSJMLJNUKFSI-HNNXBMFYSA-N 1 1 238.419 3.127 20 30 BGEDMO CCCCCCCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000157798475 385283070 /nfs/dbraw/zinc/28/30/70/385283070.db2.gz AVPSJMLJNUKFSI-OAHLLOKOSA-N 1 1 238.419 3.127 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000157798475 385283065 /nfs/dbraw/zinc/28/30/65/385283065.db2.gz AVPSJMLJNUKFSI-OAHLLOKOSA-N 1 1 238.419 3.127 20 30 BGEDMO C=CCCC[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000157881089 166234161 /nfs/dbraw/zinc/23/41/61/166234161.db2.gz SKVFRBQGGMWPBG-CQSZACIVSA-N 1 1 245.366 3.451 20 30 BGEDMO C=CCCC[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000157881243 166234490 /nfs/dbraw/zinc/23/44/90/166234490.db2.gz SKVFRBQGGMWPBG-AWEZNQCLSA-N 1 1 245.366 3.451 20 30 BGEDMO CCCCCCCN1CCC([NH2+]C(C)C)CC1 ZINC000157882225 640766764 /nfs/dbraw/zinc/76/67/64/640766764.db2.gz VWGLIINLMHSQTK-UHFFFAOYSA-N 1 1 240.435 3.419 20 30 BGEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCC(C)(C)C#N ZINC000157972811 176018935 /nfs/dbraw/zinc/01/89/35/176018935.db2.gz AYYAJZRFKYYBBH-LBPRGKRZSA-N 1 1 246.354 3.325 20 30 BGEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCC(C)(C)C#N ZINC000157972945 177036838 /nfs/dbraw/zinc/03/68/38/177036838.db2.gz AYYAJZRFKYYBBH-GFCCVEGCSA-N 1 1 246.354 3.325 20 30 BGEDMO CC(C)(C)C[N@@H+](CCC#N)CCC(C)(C)C#N ZINC000157978234 191098213 /nfs/dbraw/zinc/09/82/13/191098213.db2.gz QHVSNHXKGRABAE-UHFFFAOYSA-N 1 1 235.375 3.188 20 30 BGEDMO CC(C)(C)C[N@H+](CCC#N)CCC(C)(C)C#N ZINC000157978234 191098210 /nfs/dbraw/zinc/09/82/10/191098210.db2.gz QHVSNHXKGRABAE-UHFFFAOYSA-N 1 1 235.375 3.188 20 30 BGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)C2CC2)cc1 ZINC000158020387 326304422 /nfs/dbraw/zinc/30/44/22/326304422.db2.gz NRBOPYLKOJXTGV-ZDUSSCGKSA-N 1 1 245.366 3.482 20 30 BGEDMO C=CCOc1ccc(C[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000158020531 326304413 /nfs/dbraw/zinc/30/44/13/326304413.db2.gz NRBOPYLKOJXTGV-CYBMUJFWSA-N 1 1 245.366 3.482 20 30 BGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C#N)s2)C1 ZINC000158022546 177314351 /nfs/dbraw/zinc/31/43/51/177314351.db2.gz MIWTUBGLTMYUHC-PHIMTYICSA-N 1 1 234.368 3.098 20 30 BGEDMO CCCCCCCC[N@@H+](C)[C@@H]1CCOC1 ZINC000158030114 641627005 /nfs/dbraw/zinc/62/70/05/641627005.db2.gz WUNAPGVRHKQNOT-CYBMUJFWSA-N 1 1 213.365 3.068 20 30 BGEDMO CCCCCCCC[N@@H+](C)[C@H]1CCOC1 ZINC000158030271 641627143 /nfs/dbraw/zinc/62/71/43/641627143.db2.gz WUNAPGVRHKQNOT-ZDUSSCGKSA-N 1 1 213.365 3.068 20 30 BGEDMO CCCCCCC[N@@H+](C[C@@H](C)O)C(C)C ZINC000158032364 632930238 /nfs/dbraw/zinc/93/02/38/632930238.db2.gz CHCFDWNDBVAVKM-CYBMUJFWSA-N 1 1 215.381 3.048 20 30 BGEDMO CCCCCCC[N@@H+](C[C@H](C)O)C(C)C ZINC000158032506 640788326 /nfs/dbraw/zinc/78/83/26/640788326.db2.gz CHCFDWNDBVAVKM-ZDUSSCGKSA-N 1 1 215.381 3.048 20 30 BGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(C#N)cs2)C1 ZINC000158034494 326305281 /nfs/dbraw/zinc/30/52/81/326305281.db2.gz FXRDMPNFJPEMAP-PHIMTYICSA-N 1 1 234.368 3.098 20 30 BGEDMO CCCCCCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000158042341 641626938 /nfs/dbraw/zinc/62/69/38/641626938.db2.gz BDADDQLVHZGTRX-AWEZNQCLSA-N 1 1 227.392 3.315 20 30 BGEDMO CCCCCCC[N@@H+](C)C[C@H]1CCCOC1 ZINC000158042488 641626520 /nfs/dbraw/zinc/62/65/20/641626520.db2.gz BDADDQLVHZGTRX-CQSZACIVSA-N 1 1 227.392 3.315 20 30 BGEDMO C[C@@H]1C[C@H](C)C[N@H+](CC(C)(C)CCC#N)C1 ZINC000158043417 326305586 /nfs/dbraw/zinc/30/55/86/326305586.db2.gz ROPFQXONUJJTTK-BETUJISGSA-N 1 1 222.376 3.294 20 30 BGEDMO C=CCOc1cccc(C[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000158047044 326305777 /nfs/dbraw/zinc/30/57/77/326305777.db2.gz QYMRHTPLLNIKFK-ZDUSSCGKSA-N 1 1 245.366 3.482 20 30 BGEDMO C=CCOc1cccc(C[N@H+](C)[C@H](C)C2CC2)c1 ZINC000158047188 326306201 /nfs/dbraw/zinc/30/62/01/326306201.db2.gz QYMRHTPLLNIKFK-CYBMUJFWSA-N 1 1 245.366 3.482 20 30 BGEDMO C=CCOc1ccccc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000158061942 326306844 /nfs/dbraw/zinc/30/68/44/326306844.db2.gz YFFKLRATUDOXTH-ZDUSSCGKSA-N 1 1 245.366 3.482 20 30 BGEDMO C=CCOc1ccccc1C[N@H+](C)[C@H](C)C1CC1 ZINC000158062080 326306919 /nfs/dbraw/zinc/30/69/19/326306919.db2.gz YFFKLRATUDOXTH-CYBMUJFWSA-N 1 1 245.366 3.482 20 30 BGEDMO C=CC[NH+](CC=C)Cc1c(C)nn(CCC)c1C ZINC000158119445 166335934 /nfs/dbraw/zinc/33/59/34/166335934.db2.gz JBTRBKPBCZLTSR-UHFFFAOYSA-N 1 1 247.386 3.084 20 30 BGEDMO C=CC[NH+](CC=C)Cc1cnc(C(C)C)s1 ZINC000158120339 326309639 /nfs/dbraw/zinc/30/96/39/326309639.db2.gz MEYXRPQMAPLRME-UHFFFAOYSA-N 1 1 236.384 3.441 20 30 BGEDMO C[C@@H](C1CC1)[N@@H+](C)CC(C)(C)CCC#N ZINC000158121403 326309641 /nfs/dbraw/zinc/30/96/41/326309641.db2.gz DSBRSEBUNGGJLO-NSHDSACASA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@H](C1CC1)[N@@H+](C)CC(C)(C)CCC#N ZINC000158121550 326309405 /nfs/dbraw/zinc/30/94/05/326309405.db2.gz DSBRSEBUNGGJLO-LLVKDONJSA-N 1 1 208.349 3.047 20 30 BGEDMO C=CC[NH+](CC=C)Cc1ccc(CC)o1 ZINC000158130117 326309904 /nfs/dbraw/zinc/30/99/04/326309904.db2.gz AZYRZYSAJHHDJF-UHFFFAOYSA-N 1 1 205.301 3.016 20 30 BGEDMO C=CC[NH+](CC=C)Cc1cc(F)c(F)c(F)c1 ZINC000158133958 326309866 /nfs/dbraw/zinc/30/98/66/326309866.db2.gz VQPQWBQHZSUHIB-UHFFFAOYSA-N 1 1 241.256 3.278 20 30 BGEDMO C=CC[NH+](CC=C)Cc1cc(C)oc1C ZINC000158136170 641626653 /nfs/dbraw/zinc/62/66/53/641626653.db2.gz RPHYMOGSYPNTBC-UHFFFAOYSA-N 1 1 205.301 3.070 20 30 BGEDMO CCCc1[nH+]ccn1CC#Cc1ccc(F)cc1 ZINC000158137401 385345145 /nfs/dbraw/zinc/34/51/45/385345145.db2.gz YYPLNUIQKLZQOM-UHFFFAOYSA-N 1 1 242.297 3.026 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@H](COC)C1 ZINC000158137575 641626910 /nfs/dbraw/zinc/62/69/10/641626910.db2.gz SAGRUMZVBRDXKT-AWEZNQCLSA-N 1 1 227.392 3.315 20 30 BGEDMO C=CC[NH+](CC=C)Cc1cnc(C2CC2)s1 ZINC000158142873 326309947 /nfs/dbraw/zinc/30/99/47/326309947.db2.gz QYANZBJNNZXIKF-UHFFFAOYSA-N 1 1 234.368 3.195 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000158148620 631827362 /nfs/dbraw/zinc/82/73/62/631827362.db2.gz UEQINTCRQXJDBY-OAHLLOKOSA-N 1 1 240.435 3.230 20 30 BGEDMO CCCCCCCC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000158148620 631827359 /nfs/dbraw/zinc/82/73/59/631827359.db2.gz UEQINTCRQXJDBY-OAHLLOKOSA-N 1 1 240.435 3.230 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000158148766 631826700 /nfs/dbraw/zinc/82/67/00/631826700.db2.gz UEQINTCRQXJDBY-HNNXBMFYSA-N 1 1 240.435 3.230 20 30 BGEDMO CCCCCCCC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000158148766 631826693 /nfs/dbraw/zinc/82/66/93/631826693.db2.gz UEQINTCRQXJDBY-HNNXBMFYSA-N 1 1 240.435 3.230 20 30 BGEDMO CC[C@@H](C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000158179852 387936737 /nfs/dbraw/zinc/93/67/37/387936737.db2.gz OAEJPEHXVAYYLW-GFCCVEGCSA-N 1 1 235.758 3.422 20 30 BGEDMO CC[C@H](C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000158179988 387937350 /nfs/dbraw/zinc/93/73/50/387937350.db2.gz OAEJPEHXVAYYLW-LBPRGKRZSA-N 1 1 235.758 3.422 20 30 BGEDMO CC1(C)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000158208880 387940646 /nfs/dbraw/zinc/94/06/46/387940646.db2.gz HYAJADNRBFCRPV-UHFFFAOYSA-N 1 1 231.314 3.052 20 30 BGEDMO CCc1[nH+]ccn1CC#Cc1ccc(Cl)cc1 ZINC000158370578 326316129 /nfs/dbraw/zinc/31/61/29/326316129.db2.gz OWFHQHIEUQMNRV-UHFFFAOYSA-N 1 1 244.725 3.151 20 30 BGEDMO CC(C)[N@@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC000158397786 187300841 /nfs/dbraw/zinc/30/08/41/187300841.db2.gz XLIGNZMADKJVPU-UHFFFAOYSA-N 1 1 232.302 3.070 20 30 BGEDMO CCCC[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC000158414136 398332354 /nfs/dbraw/zinc/33/23/54/398332354.db2.gz FQONRPHLLVMWOT-UHFFFAOYSA-N 1 1 234.318 3.319 20 30 BGEDMO CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000158461873 170976463 /nfs/dbraw/zinc/97/64/63/170976463.db2.gz CKDNRVYPJDWFHE-GFCCVEGCSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000158462023 383980317 /nfs/dbraw/zinc/98/03/17/383980317.db2.gz CKDNRVYPJDWFHE-LBPRGKRZSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)C1CCCC1 ZINC000158505840 344665439 /nfs/dbraw/zinc/66/54/39/344665439.db2.gz UPNFFAYJLOXQPK-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO C=CC[N@H+](CCCOCC)Cc1cccs1 ZINC000158523640 345344767 /nfs/dbraw/zinc/34/47/67/345344767.db2.gz VTYZUGAVWPFVHQ-UHFFFAOYSA-N 1 1 239.384 3.163 20 30 BGEDMO CC(C)CC[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000158554003 384006879 /nfs/dbraw/zinc/00/68/79/384006879.db2.gz FMAJDMYPQCJHAS-UHFFFAOYSA-N 1 1 234.318 3.175 20 30 BGEDMO CCc1[nH+]ccn1CC#Cc1ccccc1Cl ZINC000158554689 322928276 /nfs/dbraw/zinc/92/82/76/322928276.db2.gz WQPSNUHMXOIRPP-UHFFFAOYSA-N 1 1 244.725 3.151 20 30 BGEDMO CCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000158555117 384006648 /nfs/dbraw/zinc/00/66/48/384006648.db2.gz HXFPFQRFBZFHEM-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO CCc1[nH+]ccn1CC#Cc1cccc(Cl)c1 ZINC000158580852 326329157 /nfs/dbraw/zinc/32/91/57/326329157.db2.gz RGHDEXHFJDVFTA-UHFFFAOYSA-N 1 1 244.725 3.151 20 30 BGEDMO C#CC[N@@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000158650949 641643464 /nfs/dbraw/zinc/64/34/64/641643464.db2.gz TZSZPLHDHYPODR-CYBMUJFWSA-N 1 1 217.312 3.138 20 30 BGEDMO CC[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000158687284 344719697 /nfs/dbraw/zinc/71/96/97/344719697.db2.gz MHSKZTJCZAKVHH-UHFFFAOYSA-N 1 1 240.306 3.173 20 30 BGEDMO C=CCOc1cccc(C[N@H+](C)C(C)C)c1 ZINC000158714119 326340472 /nfs/dbraw/zinc/34/04/72/326340472.db2.gz 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/nfs/dbraw/zinc/19/39/05/490193905.db2.gz MRRBHKGFXDCNAI-LBPRGKRZSA-N 1 1 246.329 3.319 20 30 BGEDMO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)s2)o1 ZINC000160868353 387993810 /nfs/dbraw/zinc/99/38/10/387993810.db2.gz UHURWBIDOCGOCA-UHFFFAOYSA-N 1 1 246.335 3.153 20 30 BGEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)s2)o1 ZINC000160868353 387993806 /nfs/dbraw/zinc/99/38/06/387993806.db2.gz UHURWBIDOCGOCA-UHFFFAOYSA-N 1 1 246.335 3.153 20 30 BGEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCCC1 ZINC000160871558 387999443 /nfs/dbraw/zinc/99/94/43/387999443.db2.gz OXKDOUGCPOLSPU-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO Cc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)o1 ZINC000160872820 323137206 /nfs/dbraw/zinc/13/72/06/323137206.db2.gz OYLVBXRUZCRJGN-UHFFFAOYSA-N 1 1 246.335 3.153 20 30 BGEDMO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)o1 ZINC000160872820 323137205 /nfs/dbraw/zinc/13/72/05/323137205.db2.gz OYLVBXRUZCRJGN-UHFFFAOYSA-N 1 1 246.335 3.153 20 30 BGEDMO Cc1ccc(C[N@H+](C)CC(C)(C)CCC#N)o1 ZINC000160879258 384442911 /nfs/dbraw/zinc/44/29/11/384442911.db2.gz KVFSSTWXVLPNJQ-UHFFFAOYSA-N 1 1 234.343 3.350 20 30 BGEDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000160898678 388016478 /nfs/dbraw/zinc/01/64/78/388016478.db2.gz HVEQYHKVAGTGGY-NEPJUHHUSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000160898792 388016736 /nfs/dbraw/zinc/01/67/36/388016736.db2.gz HVEQYHKVAGTGGY-RYUDHWBXSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000160898916 388016700 /nfs/dbraw/zinc/01/67/00/388016700.db2.gz HVEQYHKVAGTGGY-VXGBXAGGSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000160899026 206093361 /nfs/dbraw/zinc/09/33/61/206093361.db2.gz HVEQYHKVAGTGGY-NWDGAFQWSA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)CC[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160936826 359401152 /nfs/dbraw/zinc/40/11/52/359401152.db2.gz NIFCZAPLPFWCGC-UHFFFAOYSA-N 1 1 234.318 3.175 20 30 BGEDMO CCCCCCCC[N@H+]1CCC[C@@](C)(O)C1 ZINC000160987364 711810368 /nfs/dbraw/zinc/81/03/68/711810368.db2.gz GMWDEQJZTWLMAI-CQSZACIVSA-N 1 1 227.392 3.194 20 30 BGEDMO CCCCCCCC[N@H+]1CCC[C@](C)(O)C1 ZINC000160987494 711678350 /nfs/dbraw/zinc/67/83/50/711678350.db2.gz GMWDEQJZTWLMAI-AWEZNQCLSA-N 1 1 227.392 3.194 20 30 BGEDMO C#CCCC[N@H+](C)Cc1ccc(Cl)s1 ZINC000161076958 166127643 /nfs/dbraw/zinc/12/76/43/166127643.db2.gz TXGBSQFIKMWLHK-UHFFFAOYSA-N 1 1 227.760 3.247 20 30 BGEDMO C#CCCC[N@@H+](Cc1cccs1)C1CC1 ZINC000161079094 166128547 /nfs/dbraw/zinc/12/85/47/166128547.db2.gz CCSCEYXEQZPKHX-UHFFFAOYSA-N 1 1 219.353 3.126 20 30 BGEDMO C#CCCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000161080604 711621374 /nfs/dbraw/zinc/62/13/74/711621374.db2.gz JFNQCZGVSVMYQJ-KBPBESRZSA-N 1 1 205.345 3.054 20 30 BGEDMO C#CCCC[N@H+]1CCc2sccc2[C@H]1C ZINC000161080918 166130871 /nfs/dbraw/zinc/13/08/71/166130871.db2.gz HHAZGGYLJMTIPP-LLVKDONJSA-N 1 1 219.353 3.081 20 30 BGEDMO C#CCCC[N@H+]1CCc2sccc2[C@@H]1C ZINC000161081057 166131336 /nfs/dbraw/zinc/13/13/36/166131336.db2.gz HHAZGGYLJMTIPP-NSHDSACASA-N 1 1 219.353 3.081 20 30 BGEDMO C#CCCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000161098596 166127723 /nfs/dbraw/zinc/12/77/23/166127723.db2.gz SVPXRCOFQAOXLS-NSHDSACASA-N 1 1 207.342 3.154 20 30 BGEDMO C#CCCC[N@H+](C)[C@H](C)c1cccs1 ZINC000161098726 166129388 /nfs/dbraw/zinc/12/93/88/166129388.db2.gz SVPXRCOFQAOXLS-LLVKDONJSA-N 1 1 207.342 3.154 20 30 BGEDMO C#CCCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000161099842 349371998 /nfs/dbraw/zinc/37/19/98/349371998.db2.gz OLZXNXRAEBUPPP-LBPRGKRZSA-N 1 1 219.303 3.232 20 30 BGEDMO C#CCCC[N@H+](C)[C@H](C)c1ccccc1F ZINC000161099966 345263172 /nfs/dbraw/zinc/26/31/72/345263172.db2.gz OLZXNXRAEBUPPP-GFCCVEGCSA-N 1 1 219.303 3.232 20 30 BGEDMO C#CCCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000161104869 711810738 /nfs/dbraw/zinc/81/07/38/711810738.db2.gz WCJBYZIVYWKVOQ-CQSZACIVSA-N 1 1 205.345 3.054 20 30 BGEDMO C#CCCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000161104997 711810659 /nfs/dbraw/zinc/81/06/59/711810659.db2.gz WCJBYZIVYWKVOQ-AWEZNQCLSA-N 1 1 205.345 3.054 20 30 BGEDMO C#CCCC[N@@H+](Cc1cccs1)C(C)C ZINC000161107208 345268365 /nfs/dbraw/zinc/26/83/65/345268365.db2.gz FWSVTILWCTXRSZ-UHFFFAOYSA-N 1 1 221.369 3.372 20 30 BGEDMO C#CCCC[N@H+](CC(C)C)C1CCCC1 ZINC000161109948 711810729 /nfs/dbraw/zinc/81/07/29/711810729.db2.gz ABCFNTVIHLNTIU-UHFFFAOYSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000161126986 711810552 /nfs/dbraw/zinc/81/05/52/711810552.db2.gz IMRSJNVFZBNSHP-CQSZACIVSA-N 1 1 207.361 3.158 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000161127124 711578988 /nfs/dbraw/zinc/57/89/88/711578988.db2.gz IMRSJNVFZBNSHP-AWEZNQCLSA-N 1 1 207.361 3.158 20 30 BGEDMO C#CCCC[N@H+](C)C1CCC(CC)CC1 ZINC000161136912 711580223 /nfs/dbraw/zinc/58/02/23/711580223.db2.gz UZBMNRXBMMIQPJ-UHFFFAOYSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@H+](C)C1CCC(C)(C)CC1 ZINC000161138208 711580162 /nfs/dbraw/zinc/58/01/62/711580162.db2.gz YCCLXIIFRIBFHS-UHFFFAOYSA-N 1 1 207.361 3.300 20 30 BGEDMO C[C@H]([N@@H+](C)Cc1cc(F)ccc1C#N)C1(C)CC1 ZINC000161443068 398282632 /nfs/dbraw/zinc/28/26/32/398282632.db2.gz OIDHIHCYFAITRI-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]([N@@H+](C)Cc1cc(F)ccc1C#N)C1(C)CC1 ZINC000161443198 398282716 /nfs/dbraw/zinc/28/27/16/398282716.db2.gz OIDHIHCYFAITRI-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C=C(C)C[N@@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000161691004 349487219 /nfs/dbraw/zinc/48/72/19/349487219.db2.gz YCILWBCQTCTLHW-UHFFFAOYSA-N 1 1 231.339 3.076 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccccc1OCC ZINC000161727971 632393558 /nfs/dbraw/zinc/39/35/58/632393558.db2.gz JMANTJIBUNLKRR-LLVKDONJSA-N 1 1 239.746 3.488 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccccc1OCC ZINC000161728093 632393419 /nfs/dbraw/zinc/39/34/19/632393419.db2.gz JMANTJIBUNLKRR-NSHDSACASA-N 1 1 239.746 3.488 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000161735090 632395739 /nfs/dbraw/zinc/39/57/39/632395739.db2.gz KQNIIKXXUNYHLR-VIFPVBQESA-N 1 1 243.709 3.237 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000161735212 632397866 /nfs/dbraw/zinc/39/78/66/632397866.db2.gz KQNIIKXXUNYHLR-SECBINFHSA-N 1 1 243.709 3.237 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](CC)c1ccccc1OC ZINC000161748477 632400398 /nfs/dbraw/zinc/40/03/98/632400398.db2.gz GZFZQEHOXPFOPG-LBPRGKRZSA-N 1 1 239.746 3.488 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](CC)c1ccccc1OC ZINC000161748610 632400299 /nfs/dbraw/zinc/40/02/99/632400299.db2.gz GZFZQEHOXPFOPG-GFCCVEGCSA-N 1 1 239.746 3.488 20 30 BGEDMO Cc1cc[nH+]c(N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000161750052 387990909 /nfs/dbraw/zinc/99/09/09/387990909.db2.gz PGBQMZLRJIZEMD-LBPRGKRZSA-N 1 1 237.306 3.435 20 30 BGEDMO C[C@@H](CC#N)[N@@H+](C)CCCC1CCCC1 ZINC000161750133 323076418 /nfs/dbraw/zinc/07/64/18/323076418.db2.gz QMFSBWLWQPQVHJ-LBPRGKRZSA-N 1 1 208.349 3.191 20 30 BGEDMO Cc1cc[nH+]c(N[C@H](C)c2cccc(C#N)c2)c1 ZINC000161750167 323563224 /nfs/dbraw/zinc/56/32/24/323563224.db2.gz PGBQMZLRJIZEMD-GFCCVEGCSA-N 1 1 237.306 3.435 20 30 BGEDMO C[C@H](CC#N)[N@@H+](C)CCCC1CCCC1 ZINC000161750277 387264468 /nfs/dbraw/zinc/26/44/68/387264468.db2.gz QMFSBWLWQPQVHJ-GFCCVEGCSA-N 1 1 208.349 3.191 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000161750578 346384331 /nfs/dbraw/zinc/38/43/31/346384331.db2.gz JSMAVNMIGGYPMK-QMMMGPOBSA-N 1 1 231.673 3.368 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000161750690 346384111 /nfs/dbraw/zinc/38/41/11/346384111.db2.gz JSMAVNMIGGYPMK-MRVPVSSYSA-N 1 1 231.673 3.368 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000161751356 711617762 /nfs/dbraw/zinc/61/77/62/711617762.db2.gz RXQKDCNLNUWYRZ-LLVKDONJSA-N 1 1 239.746 3.407 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000161751493 711617961 /nfs/dbraw/zinc/61/79/61/711617961.db2.gz RXQKDCNLNUWYRZ-NSHDSACASA-N 1 1 239.746 3.407 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000161754321 353295302 /nfs/dbraw/zinc/29/53/02/353295302.db2.gz VEFLNWBMMHQXHF-VIFPVBQESA-N 1 1 243.709 3.237 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000161754437 353295385 /nfs/dbraw/zinc/29/53/85/353295385.db2.gz VEFLNWBMMHQXHF-SECBINFHSA-N 1 1 243.709 3.237 20 30 BGEDMO C=CC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000161781008 349504775 /nfs/dbraw/zinc/50/47/75/349504775.db2.gz JLGUYEFNDQNSFT-UHFFFAOYSA-N 1 1 248.395 3.419 20 30 BGEDMO C[C@@H](CC#N)[N@@H+](C)CCc1ccccc1Cl ZINC000161782966 387269238 /nfs/dbraw/zinc/26/92/38/387269238.db2.gz VBJLKHUXOPHCEC-NSHDSACASA-N 1 1 236.746 3.116 20 30 BGEDMO C[C@@H](CC#N)[N@H+](C)CCc1ccccc1Cl ZINC000161782966 387269232 /nfs/dbraw/zinc/26/92/32/387269232.db2.gz VBJLKHUXOPHCEC-NSHDSACASA-N 1 1 236.746 3.116 20 30 BGEDMO C[C@H](CC#N)[N@@H+](C)CCc1ccccc1Cl ZINC000161783072 387269256 /nfs/dbraw/zinc/26/92/56/387269256.db2.gz VBJLKHUXOPHCEC-LLVKDONJSA-N 1 1 236.746 3.116 20 30 BGEDMO C[C@H](CC#N)[N@H+](C)CCc1ccccc1Cl ZINC000161783072 387269252 /nfs/dbraw/zinc/26/92/52/387269252.db2.gz VBJLKHUXOPHCEC-LLVKDONJSA-N 1 1 236.746 3.116 20 30 BGEDMO C[C@@H](CC#N)[N@@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC000161898223 387280985 /nfs/dbraw/zinc/28/09/85/387280985.db2.gz UVCJOSJYYCHBLC-HZSPNIEDSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H](CC#N)[N@@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC000161898502 387281552 /nfs/dbraw/zinc/28/15/52/387281552.db2.gz UVCJOSJYYCHBLC-RDBSUJKOSA-N 1 1 222.376 3.437 20 30 BGEDMO Cc1ccccc1CCC[N@H+](C)[C@@H](C)CC#N ZINC000161912133 384539250 /nfs/dbraw/zinc/53/92/50/384539250.db2.gz WPPHXDULRKHEGU-AWEZNQCLSA-N 1 1 230.355 3.162 20 30 BGEDMO Cc1ccccc1CCC[N@H+](C)[C@H](C)CC#N ZINC000161912267 384540343 /nfs/dbraw/zinc/54/03/43/384540343.db2.gz WPPHXDULRKHEGU-CQSZACIVSA-N 1 1 230.355 3.162 20 30 BGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)ccc1C#N ZINC000162025191 388345530 /nfs/dbraw/zinc/34/55/30/388345530.db2.gz VEXVGXRBCAHMLJ-PHIMTYICSA-N 1 1 232.302 3.070 20 30 BGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC2(CCC2)C1 ZINC000162026553 181114263 /nfs/dbraw/zinc/11/42/63/181114263.db2.gz NWDYTTYJKFNVRN-UHFFFAOYSA-N 1 1 244.313 3.073 20 30 BGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC2(CCC2)C1 ZINC000162026553 181114261 /nfs/dbraw/zinc/11/42/61/181114261.db2.gz NWDYTTYJKFNVRN-UHFFFAOYSA-N 1 1 244.313 3.073 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1nc2ccc(F)cc2o1 ZINC000162067806 387311188 /nfs/dbraw/zinc/31/11/88/387311188.db2.gz PBSTXPCNPBUNAP-UHFFFAOYSA-N 1 1 248.301 3.365 20 30 BGEDMO C[N@@H+](Cc1ccco1)CC(C)(C)CCC#N ZINC000162187871 384587837 /nfs/dbraw/zinc/58/78/37/384587837.db2.gz GUVHIBSBRSZGJV-UHFFFAOYSA-N 1 1 220.316 3.041 20 30 BGEDMO CCCCCCC[N@@H+](C)CC1(O)CCCC1 ZINC000162611174 634229331 /nfs/dbraw/zinc/22/93/31/634229331.db2.gz MBCUKBNBAHYFAF-UHFFFAOYSA-N 1 1 227.392 3.194 20 30 BGEDMO CCCCCCCCC[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000162746678 634331703 /nfs/dbraw/zinc/33/17/03/634331703.db2.gz RICWSHUDUGUPQO-CABCVRRESA-N 1 1 241.419 3.440 20 30 BGEDMO CCCCCCCCC[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000162746815 634333537 /nfs/dbraw/zinc/33/35/37/634333537.db2.gz RICWSHUDUGUPQO-HUUCEWRRSA-N 1 1 241.419 3.440 20 30 BGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162856085 371867951 /nfs/dbraw/zinc/86/79/51/371867951.db2.gz KDFJNCPTEXIPBV-LLVKDONJSA-N 1 1 248.757 3.444 20 30 BGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162856194 371867841 /nfs/dbraw/zinc/86/78/41/371867841.db2.gz KDFJNCPTEXIPBV-NSHDSACASA-N 1 1 248.757 3.444 20 30 BGEDMO CCCC[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162857836 202082781 /nfs/dbraw/zinc/08/27/81/202082781.db2.gz ZBNSBBAYCUPCSM-UHFFFAOYSA-N 1 1 236.746 3.444 20 30 BGEDMO CC[N@@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000162863121 371871799 /nfs/dbraw/zinc/87/17/99/371871799.db2.gz NLBIZBXHAVCISR-UHFFFAOYSA-N 1 1 234.730 3.196 20 30 BGEDMO CC[N@@H+](Cc1ccc(C#N)cc1Cl)C(C)C ZINC000162863398 371871655 /nfs/dbraw/zinc/87/16/55/371871655.db2.gz LBNKNHFPDZUIED-UHFFFAOYSA-N 1 1 236.746 3.442 20 30 BGEDMO CCC[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162864349 344443606 /nfs/dbraw/zinc/44/36/06/344443606.db2.gz AINNDROEOAECBH-UHFFFAOYSA-N 1 1 222.719 3.053 20 30 BGEDMO CC(C)C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162864491 371870967 /nfs/dbraw/zinc/87/09/67/371870967.db2.gz FRDCRMZHHNTIPJ-UHFFFAOYSA-N 1 1 236.746 3.299 20 30 BGEDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162864641 371870849 /nfs/dbraw/zinc/87/08/49/371870849.db2.gz KZNCUGKCKOYGME-SNVBAGLBSA-N 1 1 236.746 3.442 20 30 BGEDMO CC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162864765 344444193 /nfs/dbraw/zinc/44/41/93/344444193.db2.gz KZNCUGKCKOYGME-JTQLQIEISA-N 1 1 236.746 3.442 20 30 BGEDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162868454 324129043 /nfs/dbraw/zinc/12/90/43/324129043.db2.gz NFTXPABAJUNWQQ-JTQLQIEISA-N 1 1 248.757 3.442 20 30 BGEDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162868566 324129098 /nfs/dbraw/zinc/12/90/98/324129098.db2.gz NFTXPABAJUNWQQ-SNVBAGLBSA-N 1 1 248.757 3.442 20 30 BGEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162872168 350448391 /nfs/dbraw/zinc/44/83/91/350448391.db2.gz NVUQDOXUESAXJJ-SNVBAGLBSA-N 1 1 234.730 3.196 20 30 BGEDMO C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162872292 371873292 /nfs/dbraw/zinc/87/32/92/371873292.db2.gz NVUQDOXUESAXJJ-JTQLQIEISA-N 1 1 234.730 3.196 20 30 BGEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)CC1CC1 ZINC000162872693 371873298 /nfs/dbraw/zinc/87/32/98/371873298.db2.gz WADIRERXBXANOU-UHFFFAOYSA-N 1 1 234.730 3.053 20 30 BGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162873134 371873521 /nfs/dbraw/zinc/87/35/21/371873521.db2.gz RTKWGLMAXRAFQV-SNVBAGLBSA-N 1 1 234.730 3.053 20 30 BGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162873239 371873247 /nfs/dbraw/zinc/87/32/47/371873247.db2.gz RTKWGLMAXRAFQV-JTQLQIEISA-N 1 1 234.730 3.053 20 30 BGEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)CC1CCC1 ZINC000162899803 398134814 /nfs/dbraw/zinc/13/48/14/398134814.db2.gz JCJFJTPJXJHSDH-UHFFFAOYSA-N 1 1 248.757 3.444 20 30 BGEDMO CC[N@H+](Cc1ccc(C#N)cc1Cl)CC1CC1 ZINC000162910619 371880343 /nfs/dbraw/zinc/88/03/43/371880343.db2.gz QSKLBVRYTRFSRM-UHFFFAOYSA-N 1 1 248.757 3.444 20 30 BGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000162919806 371883852 /nfs/dbraw/zinc/88/38/52/371883852.db2.gz MVTWEDYXZRJMNF-PHIMTYICSA-N 1 1 248.757 3.299 20 30 BGEDMO CC1(C)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162922712 371887504 /nfs/dbraw/zinc/88/75/04/371887504.db2.gz GUHZFCSVVKHMQH-UHFFFAOYSA-N 1 1 248.757 3.444 20 30 BGEDMO CC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162933456 371888856 /nfs/dbraw/zinc/88/88/56/371888856.db2.gz YLFLODJAGPCFCU-LLVKDONJSA-N 1 1 248.757 3.444 20 30 BGEDMO CC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162933581 371889461 /nfs/dbraw/zinc/88/94/61/371889461.db2.gz YLFLODJAGPCFCU-NSHDSACASA-N 1 1 248.757 3.444 20 30 BGEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)C1CCC1 ZINC000162935350 371889289 /nfs/dbraw/zinc/88/92/89/371889289.db2.gz IDVFGWBDNZNWEC-UHFFFAOYSA-N 1 1 234.730 3.196 20 30 BGEDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162937236 202107888 /nfs/dbraw/zinc/10/78/88/202107888.db2.gz RQFWFEUUFDQQLE-MNOVXSKESA-N 1 1 248.757 3.442 20 30 BGEDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162937368 202108657 /nfs/dbraw/zinc/10/86/57/202108657.db2.gz RQFWFEUUFDQQLE-QWRGUYRKSA-N 1 1 248.757 3.442 20 30 BGEDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162937481 202109544 /nfs/dbraw/zinc/10/95/44/202109544.db2.gz RQFWFEUUFDQQLE-GHMZBOCLSA-N 1 1 248.757 3.442 20 30 BGEDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162937600 202109607 /nfs/dbraw/zinc/10/96/07/202109607.db2.gz RQFWFEUUFDQQLE-WDEREUQCSA-N 1 1 248.757 3.442 20 30 BGEDMO CCc1[nH+]ccn1Cc1ccc(C#N)cc1Cl ZINC000162947798 371890712 /nfs/dbraw/zinc/89/07/12/371890712.db2.gz DJHUSPNFBWMBCF-UHFFFAOYSA-N 1 1 245.713 3.019 20 30 BGEDMO Cc1[nH+]cn(Cc2ccc(C#N)cc2Cl)c1C ZINC000162949422 371890397 /nfs/dbraw/zinc/89/03/97/371890397.db2.gz JLXQIPDZNOJUAL-UHFFFAOYSA-N 1 1 245.713 3.073 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000163182052 636189464 /nfs/dbraw/zinc/18/94/64/636189464.db2.gz NSFFLHBTUIWHFK-JTQLQIEISA-N 1 1 228.698 3.014 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000163182151 636189725 /nfs/dbraw/zinc/18/97/25/636189725.db2.gz NSFFLHBTUIWHFK-SNVBAGLBSA-N 1 1 228.698 3.014 20 30 BGEDMO C=C(C)COCCNc1[nH+]ccc2ccccc21 ZINC000163983536 351435433 /nfs/dbraw/zinc/43/54/33/351435433.db2.gz RSAVNYVBTTUQNU-UHFFFAOYSA-N 1 1 242.322 3.239 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000164348905 640471691 /nfs/dbraw/zinc/47/16/91/640471691.db2.gz IRRWAYKGUYZVDT-UHFFFAOYSA-N 1 1 233.355 3.407 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164349036 640472687 /nfs/dbraw/zinc/47/26/87/640472687.db2.gz GFLGNKYFICVUHF-UHFFFAOYSA-N 1 1 249.354 3.107 20 30 BGEDMO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000164628943 188398731 /nfs/dbraw/zinc/39/87/31/188398731.db2.gz FVCLQUYETNIDBH-UWVGGRQHSA-N 1 1 223.291 3.147 20 30 BGEDMO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000164629090 188045826 /nfs/dbraw/zinc/04/58/26/188045826.db2.gz FVCLQUYETNIDBH-ZJUUUORDSA-N 1 1 223.291 3.147 20 30 BGEDMO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000164629195 386151480 /nfs/dbraw/zinc/15/14/80/386151480.db2.gz FVCLQUYETNIDBH-VHSXEESVSA-N 1 1 223.291 3.147 20 30 BGEDMO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000164629311 188045595 /nfs/dbraw/zinc/04/55/95/188045595.db2.gz FVCLQUYETNIDBH-NXEZZACHSA-N 1 1 223.291 3.147 20 30 BGEDMO CSc1ccc(C[NH2+]CC(C)(C)C#N)cc1 ZINC000164667780 388396543 /nfs/dbraw/zinc/39/65/43/388396543.db2.gz GSMFKFPNQOFRIO-UHFFFAOYSA-N 1 1 234.368 3.048 20 30 BGEDMO Cc1cc(C[NH2+]CC(C)(C)C#N)c(C)s1 ZINC000164677580 372182262 /nfs/dbraw/zinc/18/22/62/372182262.db2.gz HCBNGXUHHHZWOZ-UHFFFAOYSA-N 1 1 222.357 3.004 20 30 BGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000164677710 388396291 /nfs/dbraw/zinc/39/62/91/388396291.db2.gz ULBGWSGOKXGWPH-UHFFFAOYSA-N 1 1 240.709 3.118 20 30 BGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(Cl)s1 ZINC000164689111 388246127 /nfs/dbraw/zinc/24/61/27/388246127.db2.gz PQFFHYWVJQKVHP-UHFFFAOYSA-N 1 1 228.748 3.041 20 30 BGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000164694906 388397176 /nfs/dbraw/zinc/39/71/76/388397176.db2.gz AKCQSVBRFZKCRI-UHFFFAOYSA-N 1 1 240.709 3.118 20 30 BGEDMO CC(C)C[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000164935724 388387738 /nfs/dbraw/zinc/38/77/38/388387738.db2.gz FZTYVYLMJHPLEM-GJZGRUSLSA-N 1 1 247.386 3.188 20 30 BGEDMO CC(C)C[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000164935842 388387497 /nfs/dbraw/zinc/38/74/97/388387497.db2.gz FZTYVYLMJHPLEM-CABCVRRESA-N 1 1 247.386 3.188 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1cncc2ccccc21 ZINC000164965488 640524055 /nfs/dbraw/zinc/52/40/55/640524055.db2.gz LSXNGTIZIASNQK-AWEZNQCLSA-N 1 1 239.322 3.017 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1cncc2ccccc21 ZINC000164965615 640524088 /nfs/dbraw/zinc/52/40/88/640524088.db2.gz LSXNGTIZIASNQK-CQSZACIVSA-N 1 1 239.322 3.017 20 30 BGEDMO CC(C)CCC[N@@H+](CCC#N)CC(C)C ZINC000165324832 640562320 /nfs/dbraw/zinc/56/23/20/640562320.db2.gz IWFCHXCHINQRPS-UHFFFAOYSA-N 1 1 210.365 3.294 20 30 BGEDMO CC(C)CCC[N@@H+](CC#N)C1CCCC1 ZINC000165331831 361837734 /nfs/dbraw/zinc/83/77/34/361837734.db2.gz UBRSUGBIJBYJPC-UHFFFAOYSA-N 1 1 208.349 3.191 20 30 BGEDMO CC(C)CCC[N@H+](CC#N)C1CCCC1 ZINC000165331831 361837728 /nfs/dbraw/zinc/83/77/28/361837728.db2.gz UBRSUGBIJBYJPC-UHFFFAOYSA-N 1 1 208.349 3.191 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1C ZINC000165428590 343314437 /nfs/dbraw/zinc/31/44/37/343314437.db2.gz BFNCPBZSVLEAMN-ZDUSSCGKSA-N 1 1 228.339 3.241 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1C ZINC000165428715 343314580 /nfs/dbraw/zinc/31/45/80/343314580.db2.gz BFNCPBZSVLEAMN-CYBMUJFWSA-N 1 1 228.339 3.241 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000165429427 343314346 /nfs/dbraw/zinc/31/43/46/343314346.db2.gz LSBUTYGRMGOLMY-LBPRGKRZSA-N 1 1 228.339 3.099 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000165429561 343314381 /nfs/dbraw/zinc/31/43/81/343314381.db2.gz LSBUTYGRMGOLMY-GFCCVEGCSA-N 1 1 228.339 3.099 20 30 BGEDMO CCCC[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000165431305 343314517 /nfs/dbraw/zinc/31/45/17/343314517.db2.gz KBBVVWDVHYLURT-UHFFFAOYSA-N 1 1 216.328 3.099 20 30 BGEDMO CCCC[N@@H+](CC)Cc1ccc(C#N)cc1C ZINC000165431702 343331129 /nfs/dbraw/zinc/33/11/29/343331129.db2.gz CBDPHHDEHCRMHW-UHFFFAOYSA-N 1 1 230.355 3.489 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000165432909 343331733 /nfs/dbraw/zinc/33/17/33/343331733.db2.gz LPLJHHVOGSSSGU-BETUJISGSA-N 1 1 242.366 3.345 20 30 BGEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)C(C)C ZINC000165437487 640579828 /nfs/dbraw/zinc/57/98/28/640579828.db2.gz BIGNGCHTNYIBCM-UHFFFAOYSA-N 1 1 216.328 3.097 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+](C)C1CCCC1 ZINC000165437916 343330579 /nfs/dbraw/zinc/33/05/79/343330579.db2.gz SSCRHLUKHGBJDN-UHFFFAOYSA-N 1 1 228.339 3.241 20 30 BGEDMO CCC[N@@H+](CC)Cc1ccc(C#N)cc1C ZINC000165438056 343330582 /nfs/dbraw/zinc/33/05/82/343330582.db2.gz APKHLICUPWKZSX-UHFFFAOYSA-N 1 1 216.328 3.099 20 30 BGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C)C(C)C ZINC000165438194 343330791 /nfs/dbraw/zinc/33/07/91/343330791.db2.gz PTNOZDTZFVLXAO-UHFFFAOYSA-N 1 1 230.355 3.487 20 30 BGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C)C1CC1 ZINC000165438340 343331344 /nfs/dbraw/zinc/33/13/44/343331344.db2.gz DARNPCNQWXQNAB-UHFFFAOYSA-N 1 1 228.339 3.241 20 30 BGEDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000165438826 343331340 /nfs/dbraw/zinc/33/13/40/343331340.db2.gz LZLRLKOEYABHAT-GFCCVEGCSA-N 1 1 216.328 3.097 20 30 BGEDMO CC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000165438936 343331353 /nfs/dbraw/zinc/33/13/53/343331353.db2.gz LZLRLKOEYABHAT-LBPRGKRZSA-N 1 1 216.328 3.097 20 30 BGEDMO CC[N@H+](Cc1ccc(C#N)cc1C)CC(C)C ZINC000165439101 343335114 /nfs/dbraw/zinc/33/51/14/343335114.db2.gz SCFKONIPOWVKCA-UHFFFAOYSA-N 1 1 230.355 3.345 20 30 BGEDMO CC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1C ZINC000165439268 343335097 /nfs/dbraw/zinc/33/50/97/343335097.db2.gz GKAQXAMBCPOGDM-CYBMUJFWSA-N 1 1 230.355 3.487 20 30 BGEDMO CC[C@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1C ZINC000165439349 343335116 /nfs/dbraw/zinc/33/51/16/343335116.db2.gz GKAQXAMBCPOGDM-ZDUSSCGKSA-N 1 1 230.355 3.487 20 30 BGEDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000165439723 343335665 /nfs/dbraw/zinc/33/56/65/343335665.db2.gz ZCNNPEMOZGHYPW-GFCCVEGCSA-N 1 1 230.355 3.345 20 30 BGEDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000165439843 343335536 /nfs/dbraw/zinc/33/55/36/343335536.db2.gz ZCNNPEMOZGHYPW-LBPRGKRZSA-N 1 1 230.355 3.345 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccco1 ZINC000165441005 343332700 /nfs/dbraw/zinc/33/27/00/343332700.db2.gz GNFUUFDHRXYNLE-UHFFFAOYSA-N 1 1 240.306 3.092 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000165442853 343349420 /nfs/dbraw/zinc/34/94/20/343349420.db2.gz IGHYGMGZYXOOIF-LBPRGKRZSA-N 1 1 228.339 3.097 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)C1CC1 ZINC000165442991 343349584 /nfs/dbraw/zinc/34/95/84/343349584.db2.gz IGHYGMGZYXOOIF-GFCCVEGCSA-N 1 1 228.339 3.097 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)C(C)C ZINC000165443127 343349505 /nfs/dbraw/zinc/34/95/05/343349505.db2.gz GPPRYZBIKJBNOC-ZDUSSCGKSA-N 1 1 230.355 3.343 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)C(C)C ZINC000165443229 343349883 /nfs/dbraw/zinc/34/98/83/343349883.db2.gz GPPRYZBIKJBNOC-CYBMUJFWSA-N 1 1 230.355 3.343 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000165443525 343349437 /nfs/dbraw/zinc/34/94/37/343349437.db2.gz PAXHCFPNDLUPKM-CYBMUJFWSA-N 1 1 230.355 3.487 20 30 BGEDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000165443642 343349406 /nfs/dbraw/zinc/34/94/06/343349406.db2.gz PAXHCFPNDLUPKM-ZDUSSCGKSA-N 1 1 230.355 3.487 20 30 BGEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000165443920 343350399 /nfs/dbraw/zinc/35/03/99/343350399.db2.gz ONAVISBJKHIZMS-CQSZACIVSA-N 1 1 242.366 3.489 20 30 BGEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000165444053 343350303 /nfs/dbraw/zinc/35/03/03/343350303.db2.gz ONAVISBJKHIZMS-AWEZNQCLSA-N 1 1 242.366 3.489 20 30 BGEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000165447000 343350269 /nfs/dbraw/zinc/35/02/69/343350269.db2.gz LMBHYTACPKVZCT-OAHLLOKOSA-N 1 1 228.339 3.241 20 30 BGEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000165447112 343350132 /nfs/dbraw/zinc/35/01/32/343350132.db2.gz LMBHYTACPKVZCT-HNNXBMFYSA-N 1 1 228.339 3.241 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccoc1 ZINC000165451228 343350769 /nfs/dbraw/zinc/35/07/69/343350769.db2.gz LNLFHTURRMQBNL-UHFFFAOYSA-N 1 1 240.306 3.092 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+](C)CCC(C)C ZINC000165452169 343353089 /nfs/dbraw/zinc/35/30/89/343353089.db2.gz PWZAZRMGHVBGME-UHFFFAOYSA-N 1 1 230.355 3.345 20 30 BGEDMO CCC[N@H+](Cc1ccc(C#N)cc1C)CC1CC1 ZINC000165455013 343351728 /nfs/dbraw/zinc/35/17/28/343351728.db2.gz RAVMWJFOJGZRCP-UHFFFAOYSA-N 1 1 242.366 3.489 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+](CC(C)C)C1CC1 ZINC000165463291 343390135 /nfs/dbraw/zinc/39/01/35/343390135.db2.gz AMCDXJLKISBWMZ-UHFFFAOYSA-N 1 1 242.366 3.487 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+](CC1CC1)C(C)C ZINC000165464089 343389923 /nfs/dbraw/zinc/38/99/23/343389923.db2.gz HRXDRQWGIORIGL-UHFFFAOYSA-N 1 1 242.366 3.487 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+](C)CC(C)(C)C ZINC000165469007 343391700 /nfs/dbraw/zinc/39/17/00/343391700.db2.gz BVOCSTOOYVPRTC-UHFFFAOYSA-N 1 1 230.355 3.345 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000165472096 343430952 /nfs/dbraw/zinc/43/09/52/343430952.db2.gz RJVBNPFVVAFISQ-JSGCOSHPSA-N 1 1 242.366 3.487 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000165472222 343430994 /nfs/dbraw/zinc/43/09/94/343430994.db2.gz RJVBNPFVVAFISQ-OCCSQVGLSA-N 1 1 242.366 3.487 20 30 BGEDMO Cc1cc(C#N)ccc1C[NH+]1Cc2ccccc2C1 ZINC000165472790 343431336 /nfs/dbraw/zinc/43/13/36/343431336.db2.gz RIAJRFWHAFVCDC-UHFFFAOYSA-N 1 1 248.329 3.383 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC1(C)C ZINC000165480062 343430104 /nfs/dbraw/zinc/43/01/04/343430104.db2.gz NWJFLYVOHIQYIA-UHFFFAOYSA-N 1 1 228.339 3.241 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C)CC1 ZINC000165482272 343447715 /nfs/dbraw/zinc/44/77/15/343447715.db2.gz GJGRGNUWOYXUNX-ZDUSSCGKSA-N 1 1 242.366 3.489 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](C)CC1 ZINC000165482406 343447563 /nfs/dbraw/zinc/44/75/63/343447563.db2.gz GJGRGNUWOYXUNX-CYBMUJFWSA-N 1 1 242.366 3.489 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CC1CCCC1 ZINC000165482523 343447874 /nfs/dbraw/zinc/44/78/74/343447874.db2.gz PGGFZPZKNRXXKD-UHFFFAOYSA-N 1 1 242.366 3.489 20 30 BGEDMO CC[N@H+](Cc1ccc(C#N)cc1C)CC1CC1 ZINC000165484728 353356648 /nfs/dbraw/zinc/35/66/48/353356648.db2.gz NGQSUZFPGDKTAS-UHFFFAOYSA-N 1 1 228.339 3.099 20 30 BGEDMO CCC(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000165484839 343449027 /nfs/dbraw/zinc/44/90/27/343449027.db2.gz VGAAVXNJMOTTIG-UHFFFAOYSA-N 1 1 230.355 3.487 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC(C)(C)C1 ZINC000165485376 343448842 /nfs/dbraw/zinc/44/88/42/343448842.db2.gz AKLKAVAERFJYGW-UHFFFAOYSA-N 1 1 242.366 3.489 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000165489957 343448897 /nfs/dbraw/zinc/44/88/97/343448897.db2.gz WOFXOPUVAKWXQQ-OCCSQVGLSA-N 1 1 242.366 3.487 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000165490087 343449602 /nfs/dbraw/zinc/44/96/02/343449602.db2.gz WOFXOPUVAKWXQQ-JSGCOSHPSA-N 1 1 242.366 3.487 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1C(C)C ZINC000165490225 343453070 /nfs/dbraw/zinc/45/30/70/343453070.db2.gz BZGJNFIMZLRABW-MRXNPFEDSA-N 1 1 242.366 3.487 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1C(C)C ZINC000165490356 343452802 /nfs/dbraw/zinc/45/28/02/343452802.db2.gz BZGJNFIMZLRABW-INIZCTEOSA-N 1 1 242.366 3.487 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC(C)(C)C1 ZINC000165496382 343485465 /nfs/dbraw/zinc/48/54/65/343485465.db2.gz LKJPWZWUAZLLTN-UHFFFAOYSA-N 1 1 228.339 3.099 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000165499903 353365185 /nfs/dbraw/zinc/36/51/85/353365185.db2.gz UUYKPUHTQULBDL-IYBDPMFKSA-N 1 1 240.350 3.099 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000165506362 343529819 /nfs/dbraw/zinc/52/98/19/343529819.db2.gz XUCCFYHPNPHPFM-HNNXBMFYSA-N 1 1 242.366 3.345 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000165506522 343529418 /nfs/dbraw/zinc/52/94/18/343529418.db2.gz XUCCFYHPNPHPFM-OAHLLOKOSA-N 1 1 242.366 3.345 20 30 BGEDMO CC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000165506650 343529317 /nfs/dbraw/zinc/52/93/17/343529317.db2.gz KCCVSABXSWPUQP-CYBMUJFWSA-N 1 1 228.339 3.099 20 30 BGEDMO CC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000165506743 343530246 /nfs/dbraw/zinc/53/02/46/343530246.db2.gz KCCVSABXSWPUQP-ZDUSSCGKSA-N 1 1 228.339 3.099 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000165508741 353379044 /nfs/dbraw/zinc/37/90/44/353379044.db2.gz LTEDUNIMIFHQDO-GXTWGEPZSA-N 1 1 242.366 3.345 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000165508875 343531513 /nfs/dbraw/zinc/53/15/13/343531513.db2.gz LTEDUNIMIFHQDO-TZMCWYRMSA-N 1 1 242.366 3.345 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000165510269 343532053 /nfs/dbraw/zinc/53/20/53/343532053.db2.gz XOJZZEKIWQNJQL-YPMHNXCESA-N 1 1 228.339 3.097 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000165510406 343531672 /nfs/dbraw/zinc/53/16/72/343531672.db2.gz XOJZZEKIWQNJQL-AAEUAGOBSA-N 1 1 228.339 3.097 20 30 BGEDMO Cc1cc(C#N)ccc1Cn1cc[nH+]c1C(C)C ZINC000165515650 343606599 /nfs/dbraw/zinc/60/65/99/343606599.db2.gz SLZUYTFCWYZSJQ-UHFFFAOYSA-N 1 1 239.322 3.235 20 30 BGEDMO CCCc1[nH+]ccn1Cc1ccc(C#N)cc1C ZINC000165524282 343632709 /nfs/dbraw/zinc/63/27/09/343632709.db2.gz IENFOOSMHSKQMM-UHFFFAOYSA-N 1 1 239.322 3.064 20 30 BGEDMO C=CC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000165669598 346656224 /nfs/dbraw/zinc/65/62/24/346656224.db2.gz VGGZVIGOMKRGGX-HNNXBMFYSA-N 1 1 215.340 3.127 20 30 BGEDMO C=CC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000165669710 346656218 /nfs/dbraw/zinc/65/62/18/346656218.db2.gz VGGZVIGOMKRGGX-OAHLLOKOSA-N 1 1 215.340 3.127 20 30 BGEDMO CC(C)(C)c1ccc(C[NH2+]CCC#N)s1 ZINC000165883552 640596578 /nfs/dbraw/zinc/59/65/78/640596578.db2.gz PWNRIVNCSBRHGS-UHFFFAOYSA-N 1 1 222.357 3.049 20 30 BGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000166027486 388415716 /nfs/dbraw/zinc/41/57/16/388415716.db2.gz PLACEZLRPGKLMI-SNVBAGLBSA-N 1 1 236.384 3.295 20 30 BGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000166027597 388416187 /nfs/dbraw/zinc/41/61/87/388416187.db2.gz PLACEZLRPGKLMI-JTQLQIEISA-N 1 1 236.384 3.295 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000166060398 633106371 /nfs/dbraw/zinc/10/63/71/633106371.db2.gz BNAOVGTZSJBJOK-KGLIPLIRSA-N 1 1 227.392 3.050 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000166060523 633105865 /nfs/dbraw/zinc/10/58/65/633105865.db2.gz BNAOVGTZSJBJOK-ZIAGYGMSSA-N 1 1 227.392 3.050 20 30 BGEDMO C[C@H]([NH2+]CCC#N)c1cc2ccccc2s1 ZINC000166167406 136215303 /nfs/dbraw/zinc/21/53/03/136215303.db2.gz PKWCPKKIQRLRKD-JTQLQIEISA-N 1 1 230.336 3.466 20 30 BGEDMO C[C@@H]([NH2+]CCC#N)c1cc2ccccc2s1 ZINC000166167528 136215369 /nfs/dbraw/zinc/21/53/69/136215369.db2.gz PKWCPKKIQRLRKD-SNVBAGLBSA-N 1 1 230.336 3.466 20 30 BGEDMO C#C[C@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000166367757 640632269 /nfs/dbraw/zinc/63/22/69/640632269.db2.gz LCGLXZUIWOVDDI-QMMMGPOBSA-N 1 1 228.122 3.105 20 30 BGEDMO C#C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000166367874 640632154 /nfs/dbraw/zinc/63/21/54/640632154.db2.gz LCGLXZUIWOVDDI-MRVPVSSYSA-N 1 1 228.122 3.105 20 30 BGEDMO C#C[C@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000166469404 640645354 /nfs/dbraw/zinc/64/53/54/640645354.db2.gz VVWNFRRYFMLSIX-QMMMGPOBSA-N 1 1 228.122 3.105 20 30 BGEDMO C#C[C@@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000166469530 636129787 /nfs/dbraw/zinc/12/97/87/636129787.db2.gz VVWNFRRYFMLSIX-MRVPVSSYSA-N 1 1 228.122 3.105 20 30 BGEDMO C#C[C@H](C)[NH2+]Cc1c(Cl)cccc1Cl ZINC000166511747 636135160 /nfs/dbraw/zinc/13/51/60/636135160.db2.gz DZUIVSAZXVMTSM-QMMMGPOBSA-N 1 1 228.122 3.105 20 30 BGEDMO C#C[C@@H](C)[NH2+]Cc1c(Cl)cccc1Cl ZINC000166511871 640644824 /nfs/dbraw/zinc/64/48/24/640644824.db2.gz DZUIVSAZXVMTSM-MRVPVSSYSA-N 1 1 228.122 3.105 20 30 BGEDMO C#C[C@H](C)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000166531854 636134844 /nfs/dbraw/zinc/13/48/44/636134844.db2.gz FZLPUIVKJBMFRC-VIFPVBQESA-N 1 1 233.698 3.198 20 30 BGEDMO C#C[C@@H](C)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000166531984 711780550 /nfs/dbraw/zinc/78/05/50/711780550.db2.gz FZLPUIVKJBMFRC-SECBINFHSA-N 1 1 233.698 3.198 20 30 BGEDMO C#C[C@H](C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000166701161 640663160 /nfs/dbraw/zinc/66/31/60/640663160.db2.gz ZDHMYSPTLBDHEF-QMMMGPOBSA-N 1 1 228.122 3.105 20 30 BGEDMO C#C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000166701270 640664132 /nfs/dbraw/zinc/66/41/32/640664132.db2.gz ZDHMYSPTLBDHEF-MRVPVSSYSA-N 1 1 228.122 3.105 20 30 BGEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000166713962 344972603 /nfs/dbraw/zinc/97/26/03/344972603.db2.gz UGSRPVUXGMDDJH-RDBSUJKOSA-N 1 1 242.366 3.425 20 30 BGEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000166714183 344972156 /nfs/dbraw/zinc/97/21/56/344972156.db2.gz UGSRPVUXGMDDJH-MCIONIFRSA-N 1 1 242.366 3.425 20 30 BGEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC000166717167 344972238 /nfs/dbraw/zinc/97/22/38/344972238.db2.gz WMRROTUCWTXFIR-RDBSUJKOSA-N 1 1 242.366 3.425 20 30 BGEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC000166717389 344972680 /nfs/dbraw/zinc/97/26/80/344972680.db2.gz WMRROTUCWTXFIR-MCIONIFRSA-N 1 1 242.366 3.425 20 30 BGEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC2(CC#N)CC2)C1 ZINC000166718536 344972580 /nfs/dbraw/zinc/97/25/80/344972580.db2.gz QZUFLMCMDLCWMZ-AGIUHOORSA-N 1 1 220.360 3.047 20 30 BGEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CC2(CC#N)CC2)C1 ZINC000166718758 344972323 /nfs/dbraw/zinc/97/23/23/344972323.db2.gz QZUFLMCMDLCWMZ-UPJWGTAASA-N 1 1 220.360 3.047 20 30 BGEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000166719229 344972560 /nfs/dbraw/zinc/97/25/60/344972560.db2.gz SHXYTRRORBVWND-RDBSUJKOSA-N 1 1 242.366 3.425 20 30 BGEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000166719452 344972716 /nfs/dbraw/zinc/97/27/16/344972716.db2.gz SHXYTRRORBVWND-MCIONIFRSA-N 1 1 242.366 3.425 20 30 BGEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CCC(C)(C)C#N)C1 ZINC000166722884 206140644 /nfs/dbraw/zinc/14/06/44/206140644.db2.gz JQDHEKPYYKLYPY-AGIUHOORSA-N 1 1 222.376 3.293 20 30 BGEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CCC(C)(C)C#N)C1 ZINC000166723149 206140555 /nfs/dbraw/zinc/14/05/55/206140555.db2.gz JQDHEKPYYKLYPY-UPJWGTAASA-N 1 1 222.376 3.293 20 30 BGEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CCCCC#N)C1 ZINC000166723851 361856602 /nfs/dbraw/zinc/85/66/02/361856602.db2.gz HVSYELJBPPOAJM-AGIUHOORSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CCCCC#N)C1 ZINC000166724082 361856460 /nfs/dbraw/zinc/85/64/60/361856460.db2.gz HVSYELJBPPOAJM-UPJWGTAASA-N 1 1 208.349 3.047 20 30 BGEDMO C=C(Cl)C[NH2+]Cc1cc(Cl)cs1 ZINC000167748223 188058948 /nfs/dbraw/zinc/05/89/48/188058948.db2.gz YMPHVDCBMCUVOM-UHFFFAOYSA-N 1 1 222.140 3.244 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168259082 385356084 /nfs/dbraw/zinc/35/60/84/385356084.db2.gz YNMZHZPOKTWKLA-LBPRGKRZSA-N 1 1 240.709 3.261 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168259170 385357102 /nfs/dbraw/zinc/35/71/02/385357102.db2.gz YNMZHZPOKTWKLA-GFCCVEGCSA-N 1 1 240.709 3.261 20 30 BGEDMO CC(C)(C#N)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168278401 136265307 /nfs/dbraw/zinc/26/53/07/136265307.db2.gz PWLBWVNUASRISM-UHFFFAOYSA-N 1 1 240.709 3.118 20 30 BGEDMO CCCCCCCC[N@H+]1CCO[C@@H](C)C1 ZINC000168755965 633146441 /nfs/dbraw/zinc/14/64/41/633146441.db2.gz XFUHPAAABSHQNZ-ZDUSSCGKSA-N 1 1 213.365 3.068 20 30 BGEDMO CCCCCCCC[N@H+]1CCO[C@H](C)C1 ZINC000168756065 633146222 /nfs/dbraw/zinc/14/62/22/633146222.db2.gz XFUHPAAABSHQNZ-CYBMUJFWSA-N 1 1 213.365 3.068 20 30 BGEDMO CCCOc1cccc(C[NH2+]CC(C)(C)C#N)c1 ZINC000168917566 134248337 /nfs/dbraw/zinc/24/83/37/134248337.db2.gz HINWRFYPMJUPNP-UHFFFAOYSA-N 1 1 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20 30 BGEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCC#N ZINC000177550593 134298894 /nfs/dbraw/zinc/29/88/94/134298894.db2.gz QPDDZPQCBBOYHS-ZFWWWQNUSA-N 1 1 228.339 3.168 20 30 BGEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000177551339 134299151 /nfs/dbraw/zinc/29/91/51/134299151.db2.gz QUVAQHFYZIXJCX-IYBDPMFKSA-N 1 1 240.350 3.180 20 30 BGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000177571504 409778838 /nfs/dbraw/zinc/77/88/38/409778838.db2.gz BGDDQBIFFHSNEA-IYBDPMFKSA-N 1 1 240.350 3.180 20 30 BGEDMO C[C@@H]1C[N@@H+](CCCCC#N)[C@@H]1c1ccccc1 ZINC000177827846 136274250 /nfs/dbraw/zinc/27/42/50/136274250.db2.gz NCVDWWGCSWRRSM-HIFRSBDPSA-N 1 1 228.339 3.373 20 30 BGEDMO C[C@H]1C[N@@H+](CCCCC#N)[C@@H]1c1ccccc1 ZINC000177827859 136274176 /nfs/dbraw/zinc/27/41/76/136274176.db2.gz NCVDWWGCSWRRSM-ZFWWWQNUSA-N 1 1 228.339 3.373 20 30 BGEDMO CC[C@@H](C)C[N@@H+](CC)CCCSCC#N ZINC000177857449 385129431 /nfs/dbraw/zinc/12/94/31/385129431.db2.gz LXJOKIMUPUMYRS-GFCCVEGCSA-N 1 1 228.405 3.001 20 30 BGEDMO CC[C@H](C)C[N@@H+](CC)CCCSCC#N ZINC000177857461 385130119 /nfs/dbraw/zinc/13/01/19/385130119.db2.gz LXJOKIMUPUMYRS-LBPRGKRZSA-N 1 1 228.405 3.001 20 30 BGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccoc1 ZINC000177861711 385114934 /nfs/dbraw/zinc/11/49/34/385114934.db2.gz QQPBUCAAFVGVBY-JTQLQIEISA-N 1 1 244.269 3.141 20 30 BGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccoc1 ZINC000177861721 385170068 /nfs/dbraw/zinc/17/00/68/385170068.db2.gz QQPBUCAAFVGVBY-SNVBAGLBSA-N 1 1 244.269 3.141 20 30 BGEDMO C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)[C@@H]1C ZINC000177891418 134303927 /nfs/dbraw/zinc/30/39/27/134303927.db2.gz SBLNZXCKBIOXPJ-VXGBXAGGSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@@H]1[C@@H](C)CC[N@H+]1CCCC(C)(C)C#N ZINC000177891433 134304223 /nfs/dbraw/zinc/30/42/23/134304223.db2.gz SBLNZXCKBIOXPJ-NWDGAFQWSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@H]1C ZINC000177892329 176012883 /nfs/dbraw/zinc/01/28/83/176012883.db2.gz VSDQQRIBXDVZHV-UPJWGTAASA-N 1 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CCCCCCCC[N@@H+](C)C[C@@H]1CCOC1 ZINC000178367242 634027216 /nfs/dbraw/zinc/02/72/16/634027216.db2.gz AZXBMGCMXZKLDA-AWEZNQCLSA-N 1 1 227.392 3.315 20 30 BGEDMO CCCCCCCC[N@@H+](C)C[C@H]1CCOC1 ZINC000178367258 634027951 /nfs/dbraw/zinc/02/79/51/634027951.db2.gz AZXBMGCMXZKLDA-CQSZACIVSA-N 1 1 227.392 3.315 20 30 BGEDMO CC[N@@H+](CCCCC#N)[C@@H](C)c1cccc(O)c1 ZINC000178376534 385241286 /nfs/dbraw/zinc/24/12/86/385241286.db2.gz ZHMFLFRQEHKLMT-ZDUSSCGKSA-N 1 1 246.354 3.469 20 30 BGEDMO CC[N@@H+](CCCCC#N)[C@H](C)c1cccc(O)c1 ZINC000178376546 385241157 /nfs/dbraw/zinc/24/11/57/385241157.db2.gz ZHMFLFRQEHKLMT-CYBMUJFWSA-N 1 1 246.354 3.469 20 30 BGEDMO C=CCC[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000178380306 166262149 /nfs/dbraw/zinc/26/21/49/166262149.db2.gz QJJRPWHIHAKURT-LBPRGKRZSA-N 1 1 219.328 3.351 20 30 BGEDMO C=CCC[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000178380318 166262495 /nfs/dbraw/zinc/26/24/95/166262495.db2.gz QJJRPWHIHAKURT-GFCCVEGCSA-N 1 1 219.328 3.351 20 30 BGEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000178514106 535789105 /nfs/dbraw/zinc/78/91/05/535789105.db2.gz LWXJBJTWNLCQMZ-UHFFFAOYSA-N 1 1 242.366 3.472 20 30 BGEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000178514601 136274578 /nfs/dbraw/zinc/27/45/78/136274578.db2.gz KQEPUDICCOWVMI-UHFFFAOYSA-N 1 1 228.339 3.082 20 30 BGEDMO CC[N@H+](Cc1cc2ccccc2o1)C[C@@H](C)C#N ZINC000178518509 134307828 /nfs/dbraw/zinc/30/78/28/134307828.db2.gz QZZWQVVAWPKZPC-LBPRGKRZSA-N 1 1 242.322 3.414 20 30 BGEDMO CC[N@@H+](Cc1cc2ccccc2o1)C[C@@H](C)C#N ZINC000178518509 134307827 /nfs/dbraw/zinc/30/78/27/134307827.db2.gz QZZWQVVAWPKZPC-LBPRGKRZSA-N 1 1 242.322 3.414 20 30 BGEDMO CC[N@H+](Cc1cc2ccccc2o1)C[C@H](C)C#N ZINC000178518520 134307967 /nfs/dbraw/zinc/30/79/67/134307967.db2.gz QZZWQVVAWPKZPC-GFCCVEGCSA-N 1 1 242.322 3.414 20 30 BGEDMO CC[N@@H+](Cc1cc2ccccc2o1)C[C@H](C)C#N ZINC000178518520 134307966 /nfs/dbraw/zinc/30/79/66/134307966.db2.gz QZZWQVVAWPKZPC-GFCCVEGCSA-N 1 1 242.322 3.414 20 30 BGEDMO 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ZINC000183801354 347136126 /nfs/dbraw/zinc/13/61/26/347136126.db2.gz LEWXHDDUMNELNW-UHFFFAOYSA-N 1 1 233.355 3.101 20 30 BGEDMO Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@H](C)C#N ZINC000183823051 345939378 /nfs/dbraw/zinc/93/93/78/345939378.db2.gz KPCGQPJGIVZMMJ-VIFPVBQESA-N 1 1 236.746 3.206 20 30 BGEDMO Cc1cc(Cl)cc(C)c1C[NH2+]C[C@H](C)C#N ZINC000183823070 345939278 /nfs/dbraw/zinc/93/92/78/345939278.db2.gz KPCGQPJGIVZMMJ-SECBINFHSA-N 1 1 236.746 3.206 20 30 BGEDMO C=CCOc1cccc(C[NH2+][C@@H](CC)CC#N)c1 ZINC000184082054 347148148 /nfs/dbraw/zinc/14/81/48/347148148.db2.gz YGAPKGONOBAAAQ-AWEZNQCLSA-N 1 1 244.338 3.033 20 30 BGEDMO C=CCOc1cccc(C[NH2+][C@H](CC)CC#N)c1 ZINC000184082070 347147791 /nfs/dbraw/zinc/14/77/91/347147791.db2.gz YGAPKGONOBAAAQ-CQSZACIVSA-N 1 1 244.338 3.033 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000184095417 347149279 /nfs/dbraw/zinc/14/92/79/347149279.db2.gz YZPXMJUTZCFGND-XGACYXMMSA-N 1 1 232.302 3.121 20 30 BGEDMO CC[C@H](CC#N)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000184095439 347149291 /nfs/dbraw/zinc/14/92/91/347149291.db2.gz YZPXMJUTZCFGND-RDFMZFSFSA-N 1 1 232.302 3.121 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccn1CCC(C)C ZINC000184096612 535726538 /nfs/dbraw/zinc/72/65/38/535726538.db2.gz COAKDCBVPQEVDE-AWEZNQCLSA-N 1 1 247.386 3.316 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1cccn1CCC(C)C ZINC000184096630 536057451 /nfs/dbraw/zinc/05/74/51/536057451.db2.gz COAKDCBVPQEVDE-CQSZACIVSA-N 1 1 247.386 3.316 20 30 BGEDMO CCC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000184234637 398171441 /nfs/dbraw/zinc/17/14/41/398171441.db2.gz QTNZGIIVEKYTPU-GFCCVEGCSA-N 1 1 232.327 3.306 20 30 BGEDMO CCC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000184234660 398171396 /nfs/dbraw/zinc/17/13/96/398171396.db2.gz QTNZGIIVEKYTPU-LBPRGKRZSA-N 1 1 232.327 3.306 20 30 BGEDMO CC/C=C/CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000184407610 256845609 /nfs/dbraw/zinc/84/56/09/256845609.db2.gz QZNKCVHFEWCAEK-SNAWJCMRSA-N 1 1 228.339 3.346 20 30 BGEDMO CC/C=C/CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000184407740 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C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000186536393 397777135 /nfs/dbraw/zinc/77/71/35/397777135.db2.gz XBUVQKBNTYTKPJ-JTQLQIEISA-N 1 1 248.757 3.442 20 30 BGEDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000186536413 347236411 /nfs/dbraw/zinc/23/64/11/347236411.db2.gz XBUVQKBNTYTKPJ-SNVBAGLBSA-N 1 1 248.757 3.442 20 30 BGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186559678 387002078 /nfs/dbraw/zinc/00/20/78/387002078.db2.gz NSAGXIYHTUWZIF-LLVKDONJSA-N 1 1 248.757 3.444 20 30 BGEDMO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186559678 387002073 /nfs/dbraw/zinc/00/20/73/387002073.db2.gz NSAGXIYHTUWZIF-LLVKDONJSA-N 1 1 248.757 3.444 20 30 BGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186559698 387003662 /nfs/dbraw/zinc/00/36/62/387003662.db2.gz NSAGXIYHTUWZIF-NSHDSACASA-N 1 1 248.757 3.444 20 30 BGEDMO C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186559698 387003659 /nfs/dbraw/zinc/00/36/59/387003659.db2.gz NSAGXIYHTUWZIF-NSHDSACASA-N 1 1 248.757 3.444 20 30 BGEDMO CC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186561294 387002349 /nfs/dbraw/zinc/00/23/49/387002349.db2.gz FPCQQYMAEGZXQU-UHFFFAOYSA-N 1 1 248.757 3.444 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1ccc(C)nc1C ZINC000186562430 387109556 /nfs/dbraw/zinc/10/95/56/387109556.db2.gz OMWYGBVRUSUFLO-UHFFFAOYSA-N 1 1 218.344 3.096 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1CCCC2(CC2)C1 ZINC000186609966 387116127 /nfs/dbraw/zinc/11/61/27/387116127.db2.gz SOJWIDLZQWQSIN-UHFFFAOYSA-N 1 1 220.360 3.192 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CCCC3(CC3)C2)c(F)c1 ZINC000186611733 187311525 /nfs/dbraw/zinc/31/15/25/187311525.db2.gz LPDFSKVAJWPUIF-UHFFFAOYSA-N 1 1 244.313 3.073 20 30 BGEDMO CC[N@@H+](Cc1ccc(Cl)cc1C#N)C1CC1 ZINC000186628763 347238594 /nfs/dbraw/zinc/23/85/94/347238594.db2.gz GCSDPXBXJQXDBN-UHFFFAOYSA-N 1 1 234.730 3.196 20 30 BGEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)CC1CC1 ZINC000186685226 387062619 /nfs/dbraw/zinc/06/26/19/387062619.db2.gz BVNUKYFMCPNQIY-UHFFFAOYSA-N 1 1 234.730 3.053 20 30 BGEDMO C=CCCC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186712074 383952919 /nfs/dbraw/zinc/95/29/19/383952919.db2.gz DHNMWIGSIQRPEX-MRXNPFEDSA-N 1 1 243.350 3.084 20 30 BGEDMO C=CCCC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186712093 387128553 /nfs/dbraw/zinc/12/85/53/387128553.db2.gz DHNMWIGSIQRPEX-INIZCTEOSA-N 1 1 243.350 3.084 20 30 BGEDMO CC[N@@H+](Cc1ccc(Cl)cc1C#N)C(C)C ZINC000186713216 387163325 /nfs/dbraw/zinc/16/33/25/387163325.db2.gz YEPWGOHLBMKOLS-UHFFFAOYSA-N 1 1 236.746 3.442 20 30 BGEDMO CCC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000186880731 169081636 /nfs/dbraw/zinc/08/16/36/169081636.db2.gz HGYRHCBUFLIAHD-UHFFFAOYSA-N 1 1 222.719 3.053 20 30 BGEDMO CCCc1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000186935879 535430696 /nfs/dbraw/zinc/43/06/96/535430696.db2.gz OXRQLHVBSUTTMW-ZDUSSCGKSA-N 1 1 230.355 3.373 20 30 BGEDMO CCCc1cccc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000186935879 535430693 /nfs/dbraw/zinc/43/06/93/535430693.db2.gz OXRQLHVBSUTTMW-ZDUSSCGKSA-N 1 1 230.355 3.373 20 30 BGEDMO CCCc1cccc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000186935899 387145491 /nfs/dbraw/zinc/14/54/91/387145491.db2.gz OXRQLHVBSUTTMW-CYBMUJFWSA-N 1 1 230.355 3.373 20 30 BGEDMO CCCc1cccc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000186935899 387145488 /nfs/dbraw/zinc/14/54/88/387145488.db2.gz OXRQLHVBSUTTMW-CYBMUJFWSA-N 1 1 230.355 3.373 20 30 BGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCCC2(CC2)C1 ZINC000186960783 181114504 /nfs/dbraw/zinc/11/45/04/181114504.db2.gz UDFBLVZSVSYLFA-UHFFFAOYSA-N 1 1 244.313 3.073 20 30 BGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCCC2(CC2)C1 ZINC000186960783 181114502 /nfs/dbraw/zinc/11/45/02/181114502.db2.gz UDFBLVZSVSYLFA-UHFFFAOYSA-N 1 1 244.313 3.073 20 30 BGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCC2(CC2)C1 ZINC000186968245 384116009 /nfs/dbraw/zinc/11/60/09/384116009.db2.gz VKJGJGLQKPKHJF-UHFFFAOYSA-N 1 1 244.313 3.073 20 30 BGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC2(CC2)C1 ZINC000186968245 384116001 /nfs/dbraw/zinc/11/60/01/384116001.db2.gz VKJGJGLQKPKHJF-UHFFFAOYSA-N 1 1 244.313 3.073 20 30 BGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCC2(CC2)C1 ZINC000186975167 176013463 /nfs/dbraw/zinc/01/34/63/176013463.db2.gz RBLLNBCROGDPFA-ZDUSSCGKSA-N 1 1 240.350 3.495 20 30 BGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCC2(CC2)C1 ZINC000186975187 177032879 /nfs/dbraw/zinc/03/28/79/177032879.db2.gz RBLLNBCROGDPFA-CYBMUJFWSA-N 1 1 240.350 3.495 20 30 BGEDMO CC(C)(C#N)CCC[N@H+]1CCCC2(CC2)C1 ZINC000186978607 387159771 /nfs/dbraw/zinc/15/97/71/387159771.db2.gz HFSBXNXAJOZCPM-UHFFFAOYSA-N 1 1 220.360 3.192 20 30 BGEDMO N#Cc1cc(C[N@H+]2CCCC3(CC3)C2)ccc1F ZINC000186980607 181084750 /nfs/dbraw/zinc/08/47/50/181084750.db2.gz YAUIWNGBTOOKOT-UHFFFAOYSA-N 1 1 244.313 3.073 20 30 BGEDMO Fc1ccc(C#CC[N@H+]2CCCC3(CC3)C2)cc1 ZINC000186984195 387159517 /nfs/dbraw/zinc/15/95/17/387159517.db2.gz ZITUPGSTVVZCQC-UHFFFAOYSA-N 1 1 243.325 3.053 20 30 BGEDMO N#Cc1ccc(F)c(C[N@H+]2CCCC3(CC3)C2)c1 ZINC000187008596 181113204 /nfs/dbraw/zinc/11/32/04/181113204.db2.gz PNROGRDHZPZVRT-UHFFFAOYSA-N 1 1 244.313 3.073 20 30 BGEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)CC1CCC1 ZINC000187020227 384152372 /nfs/dbraw/zinc/15/23/72/384152372.db2.gz LUVOUQWCOXENFC-UHFFFAOYSA-N 1 1 248.757 3.444 20 30 BGEDMO CC[N@H+](Cc1ccc(Cl)cc1C#N)CC1CC1 ZINC000187024986 384153927 /nfs/dbraw/zinc/15/39/27/384153927.db2.gz YLSHMBIMTXJNHY-UHFFFAOYSA-N 1 1 248.757 3.444 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(C)nc1C ZINC000187060711 387155469 /nfs/dbraw/zinc/15/54/69/387155469.db2.gz MSRLKCOUGUUJER-UHFFFAOYSA-N 1 1 218.344 3.096 20 30 BGEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)C1CCC1 ZINC000187085136 384163569 /nfs/dbraw/zinc/16/35/69/384163569.db2.gz DHPAQIQCRWWFKA-UHFFFAOYSA-N 1 1 234.730 3.196 20 30 BGEDMO CC1(C)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187097829 384162609 /nfs/dbraw/zinc/16/26/09/384162609.db2.gz YKOQQPWOLJTYDR-UHFFFAOYSA-N 1 1 248.757 3.444 20 30 BGEDMO CC1(C)CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187097829 384162606 /nfs/dbraw/zinc/16/26/06/384162606.db2.gz YKOQQPWOLJTYDR-UHFFFAOYSA-N 1 1 248.757 3.444 20 30 BGEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000187102072 384162025 /nfs/dbraw/zinc/16/20/25/384162025.db2.gz OVKRUMHUPPXWDV-SNVBAGLBSA-N 1 1 234.730 3.196 20 30 BGEDMO C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000187102072 384162018 /nfs/dbraw/zinc/16/20/18/384162018.db2.gz OVKRUMHUPPXWDV-SNVBAGLBSA-N 1 1 234.730 3.196 20 30 BGEDMO C[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000187102091 384162897 /nfs/dbraw/zinc/16/28/97/384162897.db2.gz OVKRUMHUPPXWDV-JTQLQIEISA-N 1 1 234.730 3.196 20 30 BGEDMO C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000187102091 384162894 /nfs/dbraw/zinc/16/28/94/384162894.db2.gz OVKRUMHUPPXWDV-JTQLQIEISA-N 1 1 234.730 3.196 20 30 BGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)[C@@H]1C ZINC000187120625 384167087 /nfs/dbraw/zinc/16/70/87/384167087.db2.gz FNNZNBHZVLLDRF-GHMZBOCLSA-N 1 1 248.757 3.442 20 30 BGEDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000187120644 384166847 /nfs/dbraw/zinc/16/68/47/384166847.db2.gz FNNZNBHZVLLDRF-WDEREUQCSA-N 1 1 248.757 3.442 20 30 BGEDMO CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187149522 397929694 /nfs/dbraw/zinc/92/96/94/397929694.db2.gz ZIOKSVVASYTMPW-LLVKDONJSA-N 1 1 248.757 3.444 20 30 BGEDMO CC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187149539 397930173 /nfs/dbraw/zinc/93/01/73/397930173.db2.gz ZIOKSVVASYTMPW-NSHDSACASA-N 1 1 248.757 3.444 20 30 BGEDMO C#CC[N@H+](Cc1ccc(C)nc1C)C1CCCC1 ZINC000187155990 388606642 /nfs/dbraw/zinc/60/66/42/388606642.db2.gz BAJJLHJDFFREJC-UHFFFAOYSA-N 1 1 242.366 3.076 20 30 BGEDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187235869 384497363 /nfs/dbraw/zinc/49/73/63/384497363.db2.gz SGPQEGWMNAQBME-SNVBAGLBSA-N 1 1 236.746 3.442 20 30 BGEDMO CC[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187235885 384497739 /nfs/dbraw/zinc/49/77/39/384497739.db2.gz SGPQEGWMNAQBME-JTQLQIEISA-N 1 1 236.746 3.442 20 30 BGEDMO C[N@@H+](CCC1CC1)Cc1ccc(Cl)cc1C#N ZINC000187308302 383987820 /nfs/dbraw/zinc/98/78/20/383987820.db2.gz ILOVZGQACGQFOE-UHFFFAOYSA-N 1 1 248.757 3.444 20 30 BGEDMO CCCc1cccc(C[NH2+][C@@H](CC)CC#N)c1 ZINC000187395837 387194207 /nfs/dbraw/zinc/19/42/07/387194207.db2.gz GCAUAWWBSHATJI-HNNXBMFYSA-N 1 1 230.355 3.421 20 30 BGEDMO CCCc1cccc(C[NH2+][C@H](CC)CC#N)c1 ZINC000187395857 387194502 /nfs/dbraw/zinc/19/45/02/387194502.db2.gz GCAUAWWBSHATJI-OAHLLOKOSA-N 1 1 230.355 3.421 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187461348 387198095 /nfs/dbraw/zinc/19/80/95/387198095.db2.gz PNRRGEJRDYOCNB-UHFFFAOYSA-N 1 1 234.730 3.220 20 30 BGEDMO C=C(C)C[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187461348 387198091 /nfs/dbraw/zinc/19/80/91/387198091.db2.gz PNRRGEJRDYOCNB-UHFFFAOYSA-N 1 1 234.730 3.220 20 30 BGEDMO C[C@@H]1CCCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000187516269 387202338 /nfs/dbraw/zinc/20/23/38/387202338.db2.gz YYWXWTDDRQSLOZ-CYBMUJFWSA-N 1 1 222.376 3.438 20 30 BGEDMO C[C@H]1CCCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000187516286 387202479 /nfs/dbraw/zinc/20/24/79/387202479.db2.gz YYWXWTDDRQSLOZ-ZDUSSCGKSA-N 1 1 222.376 3.438 20 30 BGEDMO C[C@@H]1CCCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000187517484 384843452 /nfs/dbraw/zinc/84/34/52/384843452.db2.gz NJFZPWKSARFVLB-LLVKDONJSA-N 1 1 234.368 3.242 20 30 BGEDMO C[C@H]1CCCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000187517505 384840930 /nfs/dbraw/zinc/84/09/30/384840930.db2.gz NJFZPWKSARFVLB-NSHDSACASA-N 1 1 234.368 3.242 20 30 BGEDMO C[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000187519136 176064795 /nfs/dbraw/zinc/06/47/95/176064795.db2.gz DHNNXAIRVMJDFQ-LLVKDONJSA-N 1 1 234.368 3.242 20 30 BGEDMO C[C@H]1CCCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000187519154 177071516 /nfs/dbraw/zinc/07/15/16/177071516.db2.gz DHNNXAIRVMJDFQ-NSHDSACASA-N 1 1 234.368 3.242 20 30 BGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(C)(C)CCC#N ZINC000187577690 387205068 /nfs/dbraw/zinc/20/50/68/387205068.db2.gz SHFPRYNOENJIOX-CHWSQXEVSA-N 1 1 222.376 3.437 20 30 BGEDMO CC[C@H]1[C@H](C)CC[N@H+]1CC(C)(C)CCC#N ZINC000187577712 387204772 /nfs/dbraw/zinc/20/47/72/387204772.db2.gz SHFPRYNOENJIOX-OLZOCXBDSA-N 1 1 222.376 3.437 20 30 BGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(C)(C)CCC#N ZINC000187577728 387204574 /nfs/dbraw/zinc/20/45/74/387204574.db2.gz SHFPRYNOENJIOX-QWHCGFSZSA-N 1 1 222.376 3.437 20 30 BGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CC(C)(C)CCC#N ZINC000187577748 387205491 /nfs/dbraw/zinc/20/54/91/387205491.db2.gz SHFPRYNOENJIOX-STQMWFEESA-N 1 1 222.376 3.437 20 30 BGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000187579398 384893382 /nfs/dbraw/zinc/89/33/82/384893382.db2.gz KSULUMFHWJMVNE-ZWNOBZJWSA-N 1 1 234.368 3.240 20 30 BGEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000187579416 384891426 /nfs/dbraw/zinc/89/14/26/384891426.db2.gz KSULUMFHWJMVNE-MFKMUULPSA-N 1 1 234.368 3.240 20 30 BGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000187579433 384892287 /nfs/dbraw/zinc/89/22/87/384892287.db2.gz KSULUMFHWJMVNE-GXFFZTMASA-N 1 1 234.368 3.240 20 30 BGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000187579444 384893803 /nfs/dbraw/zinc/89/38/03/384893803.db2.gz KSULUMFHWJMVNE-GWCFXTLKSA-N 1 1 234.368 3.240 20 30 BGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000187582536 171160670 /nfs/dbraw/zinc/16/06/70/171160670.db2.gz DPQILLRMKIWSRR-ZWNOBZJWSA-N 1 1 234.368 3.240 20 30 BGEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000187582556 384888657 /nfs/dbraw/zinc/88/86/57/384888657.db2.gz DPQILLRMKIWSRR-MFKMUULPSA-N 1 1 234.368 3.240 20 30 BGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000187582574 171155412 /nfs/dbraw/zinc/15/54/12/171155412.db2.gz DPQILLRMKIWSRR-GXFFZTMASA-N 1 1 234.368 3.240 20 30 BGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000187582595 384896703 /nfs/dbraw/zinc/89/67/03/384896703.db2.gz DPQILLRMKIWSRR-GWCFXTLKSA-N 1 1 234.368 3.240 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCS[C@H](C)C1 ZINC000187675752 176016742 /nfs/dbraw/zinc/01/67/42/176016742.db2.gz SKGJWDPIHIOYEL-NEPJUHHUSA-N 1 1 246.379 3.057 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC(C)(C)C1 ZINC000187689522 176016472 /nfs/dbraw/zinc/01/64/72/176016472.db2.gz BXEUYXZMEMPUPO-LBPRGKRZSA-N 1 1 228.339 3.351 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC(C)(C)C1 ZINC000187689541 177035698 /nfs/dbraw/zinc/03/56/98/177035698.db2.gz BXEUYXZMEMPUPO-GFCCVEGCSA-N 1 1 228.339 3.351 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000187692186 176016551 /nfs/dbraw/zinc/01/65/51/176016551.db2.gz ZMXWIRWOYSUOKH-VBNZEHGJSA-N 1 1 240.350 3.351 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000187692202 177035399 /nfs/dbraw/zinc/03/53/99/177035399.db2.gz ZMXWIRWOYSUOKH-WQVCFCJDSA-N 1 1 240.350 3.351 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC2(CCC2)C1 ZINC000187692854 176016354 /nfs/dbraw/zinc/01/63/54/176016354.db2.gz NLMXOXXGJATKEM-ZDUSSCGKSA-N 1 1 240.350 3.495 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC2(CCC2)C1 ZINC000187692872 177035480 /nfs/dbraw/zinc/03/54/80/177035480.db2.gz NLMXOXXGJATKEM-CYBMUJFWSA-N 1 1 240.350 3.495 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000187694545 384297950 /nfs/dbraw/zinc/29/79/50/384297950.db2.gz PQJMJTWWKUETON-LSDHHAIUSA-N 1 1 238.419 3.147 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000187694915 259302487 /nfs/dbraw/zinc/30/24/87/259302487.db2.gz PPUKMSPFVKSAQP-ZDUSSCGKSA-N 1 1 235.375 3.159 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000187694937 259302417 /nfs/dbraw/zinc/30/24/17/259302417.db2.gz PPUKMSPFVKSAQP-CYBMUJFWSA-N 1 1 235.375 3.159 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000187701071 176016851 /nfs/dbraw/zinc/01/68/51/176016851.db2.gz RQPFFOHOFBDRSX-TUKIKUTGSA-N 1 1 240.350 3.207 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000187701088 177035932 /nfs/dbraw/zinc/03/59/32/177035932.db2.gz RQPFFOHOFBDRSX-DFBGVHRSSA-N 1 1 240.350 3.207 20 30 BGEDMO CC[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187713643 171014988 /nfs/dbraw/zinc/01/49/88/171014988.db2.gz QDEDXKBWCCXDDY-QWHCGFSZSA-N 1 1 228.339 3.351 20 30 BGEDMO CC[C@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187713660 384716202 /nfs/dbraw/zinc/71/62/02/384716202.db2.gz QDEDXKBWCCXDDY-STQMWFEESA-N 1 1 228.339 3.351 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC1CC1 ZINC000187715342 176017028 /nfs/dbraw/zinc/01/70/28/176017028.db2.gz QFGIWMLIIJNRRL-LBPRGKRZSA-N 1 1 228.339 3.351 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC1CC1 ZINC000187715360 177035902 /nfs/dbraw/zinc/03/59/02/177035902.db2.gz QFGIWMLIIJNRRL-GFCCVEGCSA-N 1 1 228.339 3.351 20 30 BGEDMO C=C(C)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000187717574 386583159 /nfs/dbraw/zinc/58/31/59/386583159.db2.gz NSHKOKNZELCGAW-LBPRGKRZSA-N 1 1 214.312 3.127 20 30 BGEDMO C=C(C)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000187717591 386584335 /nfs/dbraw/zinc/58/43/35/386584335.db2.gz NSHKOKNZELCGAW-GFCCVEGCSA-N 1 1 214.312 3.127 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCC2(CC2)C1 ZINC000187728601 176016889 /nfs/dbraw/zinc/01/68/89/176016889.db2.gz ZAQSKLPSLPDRGX-ZDUSSCGKSA-N 1 1 240.350 3.495 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCC2(CC2)C1 ZINC000187728620 177034964 /nfs/dbraw/zinc/03/49/64/177034964.db2.gz ZAQSKLPSLPDRGX-CYBMUJFWSA-N 1 1 240.350 3.495 20 30 BGEDMO C=C(C)[C@@H]([NH2+]CC#CC)c1ccc(F)c(F)c1 ZINC000187788422 323031395 /nfs/dbraw/zinc/03/13/95/323031395.db2.gz MKBHISTVKWRXBV-CQSZACIVSA-N 1 1 235.277 3.195 20 30 BGEDMO C=C(C)[C@H]([NH2+]CC#CC)c1ccc(F)c(F)c1 ZINC000187788441 323031471 /nfs/dbraw/zinc/03/14/71/323031471.db2.gz MKBHISTVKWRXBV-AWEZNQCLSA-N 1 1 235.277 3.195 20 30 BGEDMO CC#CC[N@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000187792055 259360995 /nfs/dbraw/zinc/36/09/95/259360995.db2.gz VOISKCDNDLBFMC-LBPRGKRZSA-N 1 1 221.369 3.024 20 30 BGEDMO CC#CC[N@H+](CC)[C@H](C)Cc1ccsc1 ZINC000187792075 259360989 /nfs/dbraw/zinc/36/09/89/259360989.db2.gz VOISKCDNDLBFMC-GFCCVEGCSA-N 1 1 221.369 3.024 20 30 BGEDMO CC[N@@H+](CCCC#N)[C@@H](C)Cc1ccsc1 ZINC000187799077 347265413 /nfs/dbraw/zinc/26/54/13/347265413.db2.gz RCOYNDJKIXMDLL-LBPRGKRZSA-N 1 1 236.384 3.305 20 30 BGEDMO CC[N@@H+](CCCC#N)[C@H](C)Cc1ccsc1 ZINC000187799099 347265441 /nfs/dbraw/zinc/26/54/41/347265441.db2.gz RCOYNDJKIXMDLL-GFCCVEGCSA-N 1 1 236.384 3.305 20 30 BGEDMO C[C@@H]1CCCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000187909749 384558515 /nfs/dbraw/zinc/55/85/15/384558515.db2.gz BBDCWWGZNTYTPA-GFCCVEGCSA-N 1 1 246.329 3.319 20 30 BGEDMO C[C@H]1CCCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000187909775 384558554 /nfs/dbraw/zinc/55/85/54/384558554.db2.gz BBDCWWGZNTYTPA-LBPRGKRZSA-N 1 1 246.329 3.319 20 30 BGEDMO C=C(Br)C[N@@H+]1CCCC[C@@H](C)C1 ZINC000187909816 643222412 /nfs/dbraw/zinc/22/24/12/643222412.db2.gz ZUUIAAPJYTYNJJ-SECBINFHSA-N 1 1 232.165 3.017 20 30 BGEDMO C=C(Br)C[N@@H+]1CCCC[C@H](C)C1 ZINC000187909846 641734438 /nfs/dbraw/zinc/73/44/38/641734438.db2.gz ZUUIAAPJYTYNJJ-VIFPVBQESA-N 1 1 232.165 3.017 20 30 BGEDMO C[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000187915881 384878167 /nfs/dbraw/zinc/87/81/67/384878167.db2.gz YXJRMRODZOTKKN-CYBMUJFWSA-N 1 1 228.339 3.180 20 30 BGEDMO C[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000187915911 384881520 /nfs/dbraw/zinc/88/15/20/384881520.db2.gz YXJRMRODZOTKKN-ZDUSSCGKSA-N 1 1 228.339 3.180 20 30 BGEDMO C[C@@H]1CCCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000187930588 398340696 /nfs/dbraw/zinc/34/06/96/398340696.db2.gz FMOFGMVFXSVUFT-CYBMUJFWSA-N 1 1 228.339 3.180 20 30 BGEDMO C[C@H]1CCCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000187930612 398340684 /nfs/dbraw/zinc/34/06/84/398340684.db2.gz FMOFGMVFXSVUFT-ZDUSSCGKSA-N 1 1 228.339 3.180 20 30 BGEDMO C[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000187940189 384264152 /nfs/dbraw/zinc/26/41/52/384264152.db2.gz LUJVEBITOJOYDS-GFCCVEGCSA-N 1 1 246.329 3.319 20 30 BGEDMO C[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000187940217 384267102 /nfs/dbraw/zinc/26/71/02/384267102.db2.gz LUJVEBITOJOYDS-LBPRGKRZSA-N 1 1 246.329 3.319 20 30 BGEDMO C[C@@H]1CCCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000187944692 387221235 /nfs/dbraw/zinc/22/12/35/387221235.db2.gz HIXPUQJIQKZJLW-GFCCVEGCSA-N 1 1 246.329 3.319 20 30 BGEDMO C[C@H]1CCCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000187944721 384313325 /nfs/dbraw/zinc/31/33/25/384313325.db2.gz HIXPUQJIQKZJLW-LBPRGKRZSA-N 1 1 246.329 3.319 20 30 BGEDMO C[C@@H]1CCCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000187952536 259371847 /nfs/dbraw/zinc/37/18/47/259371847.db2.gz ODBFVBPOFTXNNB-CYBMUJFWSA-N 1 1 228.339 3.180 20 30 BGEDMO C[C@H]1CCCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000187952567 259371844 /nfs/dbraw/zinc/37/18/44/259371844.db2.gz ODBFVBPOFTXNNB-ZDUSSCGKSA-N 1 1 228.339 3.180 20 30 BGEDMO C[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000187956572 384410238 /nfs/dbraw/zinc/41/02/38/384410238.db2.gz DHWPCDDCRQGKSL-GFCCVEGCSA-N 1 1 246.329 3.319 20 30 BGEDMO C[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000187956601 384410100 /nfs/dbraw/zinc/41/01/00/384410100.db2.gz DHWPCDDCRQGKSL-LBPRGKRZSA-N 1 1 246.329 3.319 20 30 BGEDMO C[C@@H]1CCCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000187979153 387252607 /nfs/dbraw/zinc/25/26/07/387252607.db2.gz KIPBRWCMXJLBKS-CYBMUJFWSA-N 1 1 222.376 3.438 20 30 BGEDMO C[C@H]1CCCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000187979179 387252670 /nfs/dbraw/zinc/25/26/70/387252670.db2.gz KIPBRWCMXJLBKS-ZDUSSCGKSA-N 1 1 222.376 3.438 20 30 BGEDMO C[C@@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000187984626 398343410 /nfs/dbraw/zinc/34/34/10/398343410.db2.gz VRAQQSITPVOBAR-GFCCVEGCSA-N 1 1 246.329 3.319 20 30 BGEDMO C[C@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000187984652 398343402 /nfs/dbraw/zinc/34/34/02/398343402.db2.gz VRAQQSITPVOBAR-LBPRGKRZSA-N 1 1 246.329 3.319 20 30 BGEDMO CC(C)c1[nH+]ccn1Cc1ccc(C#N)c(F)c1 ZINC000188134913 343891772 /nfs/dbraw/zinc/89/17/72/343891772.db2.gz RFLJCWXPKUSUIQ-UHFFFAOYSA-N 1 1 243.285 3.066 20 30 BGEDMO C=CC[N@@H+](C)CCCCCOc1ccccc1 ZINC000188577295 387041874 /nfs/dbraw/zinc/04/18/74/387041874.db2.gz OGSWXLAUHZCCRE-UHFFFAOYSA-N 1 1 233.355 3.354 20 30 BGEDMO C=CC[N@@H+](CC[C@@H]1CCCO1)Cc1ccccc1 ZINC000188618758 385808319 /nfs/dbraw/zinc/80/83/19/385808319.db2.gz FIUPIZDZEAKCAF-INIZCTEOSA-N 1 1 245.366 3.244 20 30 BGEDMO C=CC[N@@H+](CC[C@H]1CCCO1)Cc1ccccc1 ZINC000188618780 259410938 /nfs/dbraw/zinc/41/09/38/259410938.db2.gz FIUPIZDZEAKCAF-MRXNPFEDSA-N 1 1 245.366 3.244 20 30 BGEDMO CCc1ccccc1C[N@@H+](CC)C[C@@H](C)C#N ZINC000188915117 346850757 /nfs/dbraw/zinc/85/07/57/346850757.db2.gz ULOKKMVTVDMABT-ZDUSSCGKSA-N 1 1 230.355 3.231 20 30 BGEDMO CCc1ccccc1C[N@H+](CC)C[C@@H](C)C#N ZINC000188915117 346850755 /nfs/dbraw/zinc/85/07/55/346850755.db2.gz ULOKKMVTVDMABT-ZDUSSCGKSA-N 1 1 230.355 3.231 20 30 BGEDMO CCc1ccccc1C[N@@H+](CC)C[C@H](C)C#N ZINC000188915138 346850678 /nfs/dbraw/zinc/85/06/78/346850678.db2.gz ULOKKMVTVDMABT-CYBMUJFWSA-N 1 1 230.355 3.231 20 30 BGEDMO CCc1ccccc1C[N@H+](CC)C[C@H](C)C#N ZINC000188915138 346850677 /nfs/dbraw/zinc/85/06/77/346850677.db2.gz ULOKKMVTVDMABT-CYBMUJFWSA-N 1 1 230.355 3.231 20 30 BGEDMO CCc1cccc(C[N@@H+](CC)C[C@@H](C)C#N)c1 ZINC000188967274 398095124 /nfs/dbraw/zinc/09/51/24/398095124.db2.gz MENRVCRGVCXYFM-ZDUSSCGKSA-N 1 1 230.355 3.231 20 30 BGEDMO CCc1cccc(C[N@H+](CC)C[C@@H](C)C#N)c1 ZINC000188967274 398095120 /nfs/dbraw/zinc/09/51/20/398095120.db2.gz MENRVCRGVCXYFM-ZDUSSCGKSA-N 1 1 230.355 3.231 20 30 BGEDMO CCc1cccc(C[N@@H+](CC)C[C@H](C)C#N)c1 ZINC000188967291 398094950 /nfs/dbraw/zinc/09/49/50/398094950.db2.gz MENRVCRGVCXYFM-CYBMUJFWSA-N 1 1 230.355 3.231 20 30 BGEDMO CCc1cccc(C[N@H+](CC)C[C@H](C)C#N)c1 ZINC000188967291 398094948 /nfs/dbraw/zinc/09/49/48/398094948.db2.gz MENRVCRGVCXYFM-CYBMUJFWSA-N 1 1 230.355 3.231 20 30 BGEDMO CCc1ccccc1C[N@@H+](CCC#N)CC1CC1 ZINC000189067708 385922046 /nfs/dbraw/zinc/92/20/46/385922046.db2.gz XQDOZEAUWFLXIM-UHFFFAOYSA-N 1 1 242.366 3.375 20 30 BGEDMO C=C(C)C[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189292162 385972437 /nfs/dbraw/zinc/97/24/37/385972437.db2.gz HCTWAFBWJGBPFA-UHFFFAOYSA-N 1 1 215.340 3.226 20 30 BGEDMO C[N@@H+](CCCCC#N)CC1(c2ccccc2)CC1 ZINC000189308789 385143576 /nfs/dbraw/zinc/14/35/76/385143576.db2.gz CKDFFNXPMNWWTI-UHFFFAOYSA-N 1 1 242.366 3.344 20 30 BGEDMO CC#CCC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189313659 385976865 /nfs/dbraw/zinc/97/68/65/385976865.db2.gz PLWQDKBGRCKPTD-UHFFFAOYSA-N 1 1 227.351 3.063 20 30 BGEDMO C=C(Cl)C[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189316268 641802610 /nfs/dbraw/zinc/80/26/10/641802610.db2.gz DHSRYIOMZZTLJK-UHFFFAOYSA-N 1 1 235.758 3.403 20 30 BGEDMO C=C(Cl)C[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189316268 641802608 /nfs/dbraw/zinc/80/26/08/641802608.db2.gz DHSRYIOMZZTLJK-UHFFFAOYSA-N 1 1 235.758 3.403 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1CCC1 ZINC000189342255 385153619 /nfs/dbraw/zinc/15/36/19/385153619.db2.gz RGECWQWQRZCRQM-LBPRGKRZSA-N 1 1 228.339 3.351 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1CCC1 ZINC000189342277 385153685 /nfs/dbraw/zinc/15/36/85/385153685.db2.gz RGECWQWQRZCRQM-GFCCVEGCSA-N 1 1 228.339 3.351 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000189343297 176017313 /nfs/dbraw/zinc/01/73/13/176017313.db2.gz ZPIOQPRELGVPKG-OLZOCXBDSA-N 1 1 228.339 3.351 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C)C1 ZINC000189343321 177103248 /nfs/dbraw/zinc/10/32/48/177103248.db2.gz ZPIOQPRELGVPKG-STQMWFEESA-N 1 1 228.339 3.351 20 30 BGEDMO CCCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000189344166 385176387 /nfs/dbraw/zinc/17/63/87/385176387.db2.gz NMTVUNGCCKYIJU-LBPRGKRZSA-N 1 1 216.328 3.351 20 30 BGEDMO CCCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000189344190 168785155 /nfs/dbraw/zinc/78/51/55/168785155.db2.gz NMTVUNGCCKYIJU-GFCCVEGCSA-N 1 1 216.328 3.351 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccco1 ZINC000189348992 176016482 /nfs/dbraw/zinc/01/64/82/176016482.db2.gz WWRHXCHBKOGWFZ-LBPRGKRZSA-N 1 1 240.306 3.344 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccco1 ZINC000189349013 177035010 /nfs/dbraw/zinc/03/50/10/177035010.db2.gz WWRHXCHBKOGWFZ-GFCCVEGCSA-N 1 1 240.306 3.344 20 30 BGEDMO C=CCCCCC[N@H+](C)Cc1ccc(F)nc1 ZINC000189371393 641805670 /nfs/dbraw/zinc/80/56/70/641805670.db2.gz IBAJTUCOQCYGIO-UHFFFAOYSA-N 1 1 236.334 3.399 20 30 BGEDMO C=CCCCCC[N@H+](C)CC[C@@H]1CCCO1 ZINC000189374122 388631498 /nfs/dbraw/zinc/63/14/98/388631498.db2.gz JHVZUEJWYVVKRX-AWEZNQCLSA-N 1 1 225.376 3.234 20 30 BGEDMO C=CCCCCC[N@H+](C)CC[C@H]1CCCO1 ZINC000189374146 388631682 /nfs/dbraw/zinc/63/16/82/388631682.db2.gz JHVZUEJWYVVKRX-CQSZACIVSA-N 1 1 225.376 3.234 20 30 BGEDMO CCc1cccc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000189499367 259553865 /nfs/dbraw/zinc/55/38/65/259553865.db2.gz HJYCFFLGFJREKE-UHFFFAOYSA-N 1 1 242.366 3.375 20 30 BGEDMO CCc1cccc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000189499367 259553863 /nfs/dbraw/zinc/55/38/63/259553863.db2.gz HJYCFFLGFJREKE-UHFFFAOYSA-N 1 1 242.366 3.375 20 30 BGEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](C)COC ZINC000189577039 346965041 /nfs/dbraw/zinc/96/50/41/346965041.db2.gz HOHDPHPWJAJCTL-LBPRGKRZSA-N 1 1 239.384 3.019 20 30 BGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](C)COC ZINC000189577056 346965146 /nfs/dbraw/zinc/96/51/46/346965146.db2.gz HOHDPHPWJAJCTL-GFCCVEGCSA-N 1 1 239.384 3.019 20 30 BGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@](C)(O)CC ZINC000189722961 386081516 /nfs/dbraw/zinc/08/15/16/386081516.db2.gz GBXQVZJWKGEGFA-INIZCTEOSA-N 1 1 247.382 3.226 20 30 BGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@](C)(O)CC ZINC000189722979 386083708 /nfs/dbraw/zinc/08/37/08/386083708.db2.gz GBXQVZJWKGEGFA-MRXNPFEDSA-N 1 1 247.382 3.226 20 30 BGEDMO Cc1nc([C@@H]2CCC[N@H+]2CCCCC#N)cs1 ZINC000189803676 347310848 /nfs/dbraw/zinc/31/08/48/347310848.db2.gz FRYXQESZSYOHTO-ZDUSSCGKSA-N 1 1 249.383 3.282 20 30 BGEDMO Cc1nc([C@H]2CCC[N@H+]2CCCCC#N)cs1 ZINC000189803693 347310818 /nfs/dbraw/zinc/31/08/18/347310818.db2.gz FRYXQESZSYOHTO-CYBMUJFWSA-N 1 1 249.383 3.282 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189820289 206015600 /nfs/dbraw/zinc/01/56/00/206015600.db2.gz VICMWLKCAMKTRJ-CYBMUJFWSA-N 1 1 234.368 3.002 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189820313 398060162 /nfs/dbraw/zinc/06/01/62/398060162.db2.gz VICMWLKCAMKTRJ-ZDUSSCGKSA-N 1 1 234.368 3.002 20 30 BGEDMO C=C(C)C[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189823984 398060191 /nfs/dbraw/zinc/06/01/91/398060191.db2.gz VVDQGHLOMNTELI-LBPRGKRZSA-N 1 1 222.357 3.165 20 30 BGEDMO C=C(C)C[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189823984 398060189 /nfs/dbraw/zinc/06/01/89/398060189.db2.gz VVDQGHLOMNTELI-LBPRGKRZSA-N 1 1 222.357 3.165 20 30 BGEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189824006 398060154 /nfs/dbraw/zinc/06/01/54/398060154.db2.gz VVDQGHLOMNTELI-GFCCVEGCSA-N 1 1 222.357 3.165 20 30 BGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189824006 398060151 /nfs/dbraw/zinc/06/01/51/398060151.db2.gz VVDQGHLOMNTELI-GFCCVEGCSA-N 1 1 222.357 3.165 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1cccc(C#N)c1 ZINC000189828436 386090717 /nfs/dbraw/zinc/09/07/17/386090717.db2.gz JIKFBWYKPYJGOI-STQMWFEESA-N 1 1 241.338 3.101 20 30 BGEDMO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1cccc(C#N)c1 ZINC000189828436 386090713 /nfs/dbraw/zinc/09/07/13/386090713.db2.gz JIKFBWYKPYJGOI-STQMWFEESA-N 1 1 241.338 3.101 20 30 BGEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1cccc(C#N)c1 ZINC000189828451 386090824 /nfs/dbraw/zinc/09/08/24/386090824.db2.gz JIKFBWYKPYJGOI-OLZOCXBDSA-N 1 1 241.338 3.101 20 30 BGEDMO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1cccc(C#N)c1 ZINC000189828451 386090817 /nfs/dbraw/zinc/09/08/17/386090817.db2.gz JIKFBWYKPYJGOI-OLZOCXBDSA-N 1 1 241.338 3.101 20 30 BGEDMO CC[N@@H+](CC1CC1)[C@@H](C)c1cccc(C#N)c1 ZINC000189887188 385316859 /nfs/dbraw/zinc/31/68/59/385316859.db2.gz SUJAXNADVFOAMS-LBPRGKRZSA-N 1 1 228.339 3.351 20 30 BGEDMO CC[N@@H+](CC1CC1)[C@H](C)c1cccc(C#N)c1 ZINC000189887210 385316939 /nfs/dbraw/zinc/31/69/39/385316939.db2.gz SUJAXNADVFOAMS-GFCCVEGCSA-N 1 1 228.339 3.351 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]1C ZINC000189908709 176016319 /nfs/dbraw/zinc/01/63/19/176016319.db2.gz HCVBANIURURYIK-NEPJUHHUSA-N 1 1 214.312 3.104 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1C ZINC000189908726 177111708 /nfs/dbraw/zinc/11/17/08/177111708.db2.gz HCVBANIURURYIK-RYUDHWBXSA-N 1 1 214.312 3.104 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@H]1C ZINC000189914827 176017105 /nfs/dbraw/zinc/01/71/05/176017105.db2.gz VGOCKSVMHPFSCN-UPJWGTAASA-N 1 1 228.339 3.350 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C)[C@H]1C ZINC000189914849 177169580 /nfs/dbraw/zinc/16/95/80/177169580.db2.gz VGOCKSVMHPFSCN-XQQFMLRXSA-N 1 1 228.339 3.350 20 30 BGEDMO CC#CCC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190162183 388646854 /nfs/dbraw/zinc/64/68/54/388646854.db2.gz HMCOANPKJRGWGV-NSHDSACASA-N 1 1 247.304 3.310 20 30 BGEDMO CC#CCC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190162200 388647697 /nfs/dbraw/zinc/64/76/97/388647697.db2.gz HMCOANPKJRGWGV-LLVKDONJSA-N 1 1 247.304 3.310 20 30 BGEDMO C=CC[N@H+](CCC(=O)CC)Cc1cccs1 ZINC000190168135 641847547 /nfs/dbraw/zinc/84/75/47/641847547.db2.gz SEBVJHHJSPAFQK-UHFFFAOYSA-N 1 1 237.368 3.105 20 30 BGEDMO CC1(C)C[N@@H+](CCCC#N)CC[C@@H]1C(F)(F)F ZINC000190168562 357690907 /nfs/dbraw/zinc/69/09/07/357690907.db2.gz HPCRUPWTPYKKOI-JTQLQIEISA-N 1 1 248.292 3.201 20 30 BGEDMO CC1(C)C[N@@H+](CCCC#N)CC[C@H]1C(F)(F)F ZINC000190168584 357690936 /nfs/dbraw/zinc/69/09/36/357690936.db2.gz HPCRUPWTPYKKOI-SNVBAGLBSA-N 1 1 248.292 3.201 20 30 BGEDMO C=C(C)C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190169341 388647552 /nfs/dbraw/zinc/64/75/52/388647552.db2.gz JTBMLRPHUFNJRJ-JTQLQIEISA-N 1 1 235.293 3.473 20 30 BGEDMO C=C(C)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190169366 388647253 /nfs/dbraw/zinc/64/72/53/388647253.db2.gz JTBMLRPHUFNJRJ-SNVBAGLBSA-N 1 1 235.293 3.473 20 30 BGEDMO C=CC[N@H+](CCC(=O)CC)Cc1ccccc1 ZINC000190172724 353383273 /nfs/dbraw/zinc/38/32/73/353383273.db2.gz ISBJNZPOZPUAHQ-UHFFFAOYSA-N 1 1 231.339 3.044 20 30 BGEDMO C=CC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190185476 388648902 /nfs/dbraw/zinc/64/89/02/388648902.db2.gz SJECGMYOAGMEGA-VIFPVBQESA-N 1 1 221.266 3.083 20 30 BGEDMO C=CC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190185500 388648206 /nfs/dbraw/zinc/64/82/06/388648206.db2.gz SJECGMYOAGMEGA-SECBINFHSA-N 1 1 221.266 3.083 20 30 BGEDMO C=CCC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190195359 356434645 /nfs/dbraw/zinc/43/46/45/356434645.db2.gz XRLQRWQLNUZUFP-JTQLQIEISA-N 1 1 235.293 3.473 20 30 BGEDMO C=CCC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190195383 356434912 /nfs/dbraw/zinc/43/49/12/356434912.db2.gz XRLQRWQLNUZUFP-SNVBAGLBSA-N 1 1 235.293 3.473 20 30 BGEDMO C=CC[N@H+](CCC(=O)CC)Cc1ccccc1F ZINC000190196921 641850693 /nfs/dbraw/zinc/85/06/93/641850693.db2.gz GZMITNNAPQUVPE-UHFFFAOYSA-N 1 1 249.329 3.183 20 30 BGEDMO C=CC[N@@H+](CCC(=O)CC)Cc1ccccc1F ZINC000190196921 641850692 /nfs/dbraw/zinc/85/06/92/641850692.db2.gz GZMITNNAPQUVPE-UHFFFAOYSA-N 1 1 249.329 3.183 20 30 BGEDMO C=CC[N@@H+](CCC(=O)CC)CCc1ccccc1 ZINC000190201756 636040581 /nfs/dbraw/zinc/04/05/81/636040581.db2.gz DNMFADPLOJOJKV-UHFFFAOYSA-N 1 1 245.366 3.086 20 30 BGEDMO C=CCCCCC[N@H+](C)CCC(=O)CC ZINC000190245488 641852132 /nfs/dbraw/zinc/85/21/32/641852132.db2.gz FWNMBYHZHLVFCQ-UHFFFAOYSA-N 1 1 211.349 3.034 20 30 BGEDMO CCC(=O)CC[N@H+](CCC#N)CC(CC)CC ZINC000190263415 641854412 /nfs/dbraw/zinc/85/44/12/641854412.db2.gz RTGPMIUPHVNIBT-UHFFFAOYSA-N 1 1 238.375 3.007 20 30 BGEDMO CCC(=O)CC[N@@H+](CCC#N)CC(CC)CC ZINC000190263415 641854408 /nfs/dbraw/zinc/85/44/08/641854408.db2.gz RTGPMIUPHVNIBT-UHFFFAOYSA-N 1 1 238.375 3.007 20 30 BGEDMO C=C(C)C[N@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000190294379 324194918 /nfs/dbraw/zinc/19/49/18/324194918.db2.gz JQTDPQFKTKMVQA-INIZCTEOSA-N 1 1 245.366 3.198 20 30 BGEDMO C=C(C)C[N@@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000190294379 324194915 /nfs/dbraw/zinc/19/49/15/324194915.db2.gz JQTDPQFKTKMVQA-INIZCTEOSA-N 1 1 245.366 3.198 20 30 BGEDMO C=C(C)C[N@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000190294397 324194937 /nfs/dbraw/zinc/19/49/37/324194937.db2.gz JQTDPQFKTKMVQA-MRXNPFEDSA-N 1 1 245.366 3.198 20 30 BGEDMO C=C(C)C[N@@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000190294397 324194931 /nfs/dbraw/zinc/19/49/31/324194931.db2.gz JQTDPQFKTKMVQA-MRXNPFEDSA-N 1 1 245.366 3.198 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H]1CC[C@@H](C)O1 ZINC000190312322 357699771 /nfs/dbraw/zinc/69/97/71/357699771.db2.gz YPEVAWXNBILUFG-GDBMZVCRSA-N 1 1 245.366 3.242 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H]1CC[C@H](C)O1 ZINC000190312338 357699800 /nfs/dbraw/zinc/69/98/00/357699800.db2.gz YPEVAWXNBILUFG-GOEBONIOSA-N 1 1 245.366 3.242 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@@H](C)O1 ZINC000190312356 357700026 /nfs/dbraw/zinc/70/00/26/357700026.db2.gz YPEVAWXNBILUFG-ZBFHGGJFSA-N 1 1 245.366 3.242 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@H](C)O1 ZINC000190312377 357700051 /nfs/dbraw/zinc/70/00/51/357700051.db2.gz YPEVAWXNBILUFG-HOCLYGCPSA-N 1 1 245.366 3.242 20 30 BGEDMO C=CCC[N@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000190323046 356438819 /nfs/dbraw/zinc/43/88/19/356438819.db2.gz MNBJACODMLJHDA-INIZCTEOSA-N 1 1 245.366 3.198 20 30 BGEDMO C=CCC[N@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000190323063 356439188 /nfs/dbraw/zinc/43/91/88/356439188.db2.gz MNBJACODMLJHDA-MRXNPFEDSA-N 1 1 245.366 3.198 20 30 BGEDMO C[C@H]1CSCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000190413247 388650173 /nfs/dbraw/zinc/65/01/73/388650173.db2.gz MHOUBZXOEMHBOG-GFCCVEGCSA-N 1 1 240.416 3.001 20 30 BGEDMO C[C@@H]1CSCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000190413268 259334507 /nfs/dbraw/zinc/33/45/07/259334507.db2.gz MHOUBZXOEMHBOG-LBPRGKRZSA-N 1 1 240.416 3.001 20 30 BGEDMO CC#CC[N@H+](CC)Cc1c[nH]c2ccccc12 ZINC000190466703 386183406 /nfs/dbraw/zinc/18/34/06/386183406.db2.gz OQGJJYUUKAECJB-UHFFFAOYSA-N 1 1 226.323 3.013 20 30 BGEDMO C=CC[N@H+](CC)Cc1c[nH]c2ccccc12 ZINC000190498165 398230694 /nfs/dbraw/zinc/23/06/94/398230694.db2.gz YTIXLTQXWPYANH-UHFFFAOYSA-N 1 1 214.312 3.176 20 30 BGEDMO CC[N@@H+](CCCC#N)Cc1c[nH]c2ccccc12 ZINC000190498939 357709874 /nfs/dbraw/zinc/70/98/74/357709874.db2.gz HDGOXFFBPAOMEJ-UHFFFAOYSA-N 1 1 241.338 3.294 20 30 BGEDMO C=CCCCCC[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000190595560 388654227 /nfs/dbraw/zinc/65/42/27/388654227.db2.gz GKRKPYHOTDBHQH-ZIAGYGMSSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCCCC[N@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000190595574 388654491 /nfs/dbraw/zinc/65/44/91/388654491.db2.gz GKRKPYHOTDBHQH-UONOGXRCSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000190595597 388654516 /nfs/dbraw/zinc/65/45/16/388654516.db2.gz GKRKPYHOTDBHQH-KGLIPLIRSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000190595614 388654391 /nfs/dbraw/zinc/65/43/91/388654391.db2.gz GKRKPYHOTDBHQH-KBPBESRZSA-N 1 1 225.376 3.232 20 30 BGEDMO C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)CCS1 ZINC000190699187 386565699 /nfs/dbraw/zinc/56/56/99/386565699.db2.gz YYAZFPWLONZZGX-GFCCVEGCSA-N 1 1 240.416 3.144 20 30 BGEDMO C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)CCS1 ZINC000190699206 386565917 /nfs/dbraw/zinc/56/59/17/386565917.db2.gz YYAZFPWLONZZGX-LBPRGKRZSA-N 1 1 240.416 3.144 20 30 BGEDMO C[C@H]1CSCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000190849398 388657568 /nfs/dbraw/zinc/65/75/68/388657568.db2.gz QBPBIWLPSRWHHW-GFCCVEGCSA-N 1 1 240.416 3.001 20 30 BGEDMO C[C@@H]1CSCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000190849412 259568922 /nfs/dbraw/zinc/56/89/22/259568922.db2.gz QBPBIWLPSRWHHW-LBPRGKRZSA-N 1 1 240.416 3.001 20 30 BGEDMO C=C(Cl)C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190985233 641896562 /nfs/dbraw/zinc/89/65/62/641896562.db2.gz UWBXFWAIEOHNQH-UHFFFAOYSA-N 1 1 243.778 3.163 20 30 BGEDMO C=C(Cl)C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190985233 641896559 /nfs/dbraw/zinc/89/65/59/641896559.db2.gz UWBXFWAIEOHNQH-UHFFFAOYSA-N 1 1 243.778 3.163 20 30 BGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000191013903 388659176 /nfs/dbraw/zinc/65/91/76/388659176.db2.gz PASAYCDQCQBXGG-AWEZNQCLSA-N 1 1 237.387 3.376 20 30 BGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCC2(CCCCC2)O1 ZINC000191013922 259570384 /nfs/dbraw/zinc/57/03/84/259570384.db2.gz PASAYCDQCQBXGG-CQSZACIVSA-N 1 1 237.387 3.376 20 30 BGEDMO CC1=CCC[C@H](C)[C@H]1C[N@H+](C)[C@@H](C)CC#N ZINC000191065429 386472711 /nfs/dbraw/zinc/47/27/11/386472711.db2.gz KJNVTLAAWLNMKO-IHRRRGAJSA-N 1 1 220.360 3.213 20 30 BGEDMO CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)[C@@H](C)CC#N ZINC000191065461 386472538 /nfs/dbraw/zinc/47/25/38/386472538.db2.gz KJNVTLAAWLNMKO-MELADBBJSA-N 1 1 220.360 3.213 20 30 BGEDMO C=CC[N@H+](CCOC)[C@@H](C)CCc1ccccc1 ZINC000191076746 398102233 /nfs/dbraw/zinc/10/22/33/398102233.db2.gz AKRKNHBAWYBLLF-HNNXBMFYSA-N 1 1 247.382 3.142 20 30 BGEDMO C=CC[N@H+](CCOC)[C@H](C)CCc1ccccc1 ZINC000191076767 398102060 /nfs/dbraw/zinc/10/20/60/398102060.db2.gz AKRKNHBAWYBLLF-OAHLLOKOSA-N 1 1 247.382 3.142 20 30 BGEDMO C=CC[N@H+](CCOC)[C@H](C)c1cccc(C)c1 ZINC000191098601 357749988 /nfs/dbraw/zinc/74/99/88/357749988.db2.gz QLWOEJOHAZVLAD-CQSZACIVSA-N 1 1 233.355 3.190 20 30 BGEDMO C=CC[N@H+](CCOC)[C@@H](C)c1cccc(C)c1 ZINC000191098622 357749899 /nfs/dbraw/zinc/74/98/99/357749899.db2.gz QLWOEJOHAZVLAD-AWEZNQCLSA-N 1 1 233.355 3.190 20 30 BGEDMO C=CC[C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000191104624 711786306 /nfs/dbraw/zinc/78/63/06/711786306.db2.gz FFKJTLZORPNVSE-QMMMGPOBSA-N 1 1 243.709 3.239 20 30 BGEDMO 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N#Cc1ccc(C[N@H+](C/C=C/Cl)C2CC2)cc1 ZINC000194540057 642161451 /nfs/dbraw/zinc/16/14/51/642161451.db2.gz FMXLRSQRFSOCHI-UNXLUWIOSA-N 1 1 246.741 3.275 20 30 BGEDMO N#Cc1ccc(C[N@@H+](C/C=C/Cl)C2CC2)cc1 ZINC000194540057 642161447 /nfs/dbraw/zinc/16/14/47/642161447.db2.gz FMXLRSQRFSOCHI-UNXLUWIOSA-N 1 1 246.741 3.275 20 30 BGEDMO CSCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000194545015 533581262 /nfs/dbraw/zinc/58/12/62/533581262.db2.gz FMASMKXOOQSJSL-UHFFFAOYSA-N 1 1 248.395 3.132 20 30 BGEDMO C=CC[N@H+](CCSC)Cc1cccs1 ZINC000194704654 367319428 /nfs/dbraw/zinc/31/94/28/367319428.db2.gz UDJWHZPKLKADSH-UHFFFAOYSA-N 1 1 227.398 3.099 20 30 BGEDMO C=CC[N@H+](C)Cc1ccc(C)c(Cl)c1 ZINC000194755667 347576438 /nfs/dbraw/zinc/57/64/38/347576438.db2.gz CSEQTYFXYHKKCI-UHFFFAOYSA-N 1 1 209.720 3.266 20 30 BGEDMO C=CC[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000194755687 367320144 /nfs/dbraw/zinc/32/01/44/367320144.db2.gz YMQBQYRKKTWHAZ-ZDUSSCGKSA-N 1 1 203.329 3.298 20 30 BGEDMO C=CC[N@H+](C)CC[C@@H](C)c1ccccc1 ZINC000194755702 367320388 /nfs/dbraw/zinc/32/03/88/367320388.db2.gz YMQBQYRKKTWHAZ-CYBMUJFWSA-N 1 1 203.329 3.298 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@]1(CCC)COC ZINC000194946775 636061216 /nfs/dbraw/zinc/06/12/16/636061216.db2.gz WRFTZQTXYNVACD-GFCCVEGCSA-N 1 1 231.767 3.020 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@@]1(CCC)COC ZINC000194946788 644351793 /nfs/dbraw/zinc/35/17/93/644351793.db2.gz WRFTZQTXYNVACD-LBPRGKRZSA-N 1 1 231.767 3.020 20 30 BGEDMO CC(C)=CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194962971 367325992 /nfs/dbraw/zinc/32/59/92/367325992.db2.gz SNEDERNTRNTUPW-UHFFFAOYSA-N 1 1 240.350 3.489 20 30 BGEDMO C=C(C)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194963568 367326845 /nfs/dbraw/zinc/32/68/45/367326845.db2.gz SKAQZPXDFGLLRG-UHFFFAOYSA-N 1 1 226.323 3.099 20 30 BGEDMO C=CC[N@H+](C)[C@@H](C)CCc1ccccc1 ZINC000194970355 367326211 /nfs/dbraw/zinc/32/62/11/367326211.db2.gz FFQCXIVVWYZFPV-ZDUSSCGKSA-N 1 1 203.329 3.126 20 30 BGEDMO C=CC[N@H+](C)[C@H](C)CCc1ccccc1 ZINC000194970369 367325914 /nfs/dbraw/zinc/32/59/14/367325914.db2.gz FFQCXIVVWYZFPV-CYBMUJFWSA-N 1 1 203.329 3.126 20 30 BGEDMO C=C(C)C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000194972943 388458650 /nfs/dbraw/zinc/45/86/50/388458650.db2.gz ARVNUBURQUBZKV-LBPRGKRZSA-N 1 1 214.312 3.127 20 30 BGEDMO C=C(C)C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000194972955 388458432 /nfs/dbraw/zinc/45/84/32/388458432.db2.gz ARVNUBURQUBZKV-GFCCVEGCSA-N 1 1 214.312 3.127 20 30 BGEDMO C=C(C)C[N@H+](C)[C@@H](C)c1cccc(OC)c1 ZINC000194983913 398129297 /nfs/dbraw/zinc/12/92/97/398129297.db2.gz JWZBANDZWRSTSG-LBPRGKRZSA-N 1 1 219.328 3.264 20 30 BGEDMO C=C(C)C[N@H+](C)[C@H](C)c1cccc(OC)c1 ZINC000194983928 398129685 /nfs/dbraw/zinc/12/96/85/398129685.db2.gz JWZBANDZWRSTSG-GFCCVEGCSA-N 1 1 219.328 3.264 20 30 BGEDMO C=CC[N@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000194985677 367327539 /nfs/dbraw/zinc/32/75/39/367327539.db2.gz XBGVNCZCBZTCDL-VIFPVBQESA-N 1 1 211.255 3.144 20 30 BGEDMO C=CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000194985677 367327538 /nfs/dbraw/zinc/32/75/38/367327538.db2.gz XBGVNCZCBZTCDL-VIFPVBQESA-N 1 1 211.255 3.144 20 30 BGEDMO C=CC[N@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000194985686 353712465 /nfs/dbraw/zinc/71/24/65/353712465.db2.gz XBGVNCZCBZTCDL-SECBINFHSA-N 1 1 211.255 3.144 20 30 BGEDMO C=CC[N@@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000194985686 353712461 /nfs/dbraw/zinc/71/24/61/353712461.db2.gz XBGVNCZCBZTCDL-SECBINFHSA-N 1 1 211.255 3.144 20 30 BGEDMO C=C(C)C[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000194987142 388458586 /nfs/dbraw/zinc/45/85/86/388458586.db2.gz HMYZLWJHRLXPKV-NSHDSACASA-N 1 1 207.292 3.395 20 30 BGEDMO C=C(C)C[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC000194987155 388458728 /nfs/dbraw/zinc/45/87/28/388458728.db2.gz HMYZLWJHRLXPKV-LLVKDONJSA-N 1 1 207.292 3.395 20 30 BGEDMO C#CC[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000194991877 634414830 /nfs/dbraw/zinc/41/48/30/634414830.db2.gz KTYBURHNENASAY-JTQLQIEISA-N 1 1 241.256 3.331 20 30 BGEDMO C#CC[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000194991893 644355705 /nfs/dbraw/zinc/35/57/05/644355705.db2.gz KTYBURHNENASAY-SNVBAGLBSA-N 1 1 241.256 3.331 20 30 BGEDMO C=CC[N@H+](CCOC)[C@@H](CC)c1ccccc1 ZINC000195000411 367330762 /nfs/dbraw/zinc/33/07/62/367330762.db2.gz VEHQMVGSHXIEML-HNNXBMFYSA-N 1 1 233.355 3.272 20 30 BGEDMO C=CC[N@H+](CCOC)[C@H](CC)c1ccccc1 ZINC000195000424 367330380 /nfs/dbraw/zinc/33/03/80/367330380.db2.gz VEHQMVGSHXIEML-OAHLLOKOSA-N 1 1 233.355 3.272 20 30 BGEDMO C=CC[N@H+](CCOC)[C@@H](C)c1ccccc1F ZINC000195000528 367329736 /nfs/dbraw/zinc/32/97/36/367329736.db2.gz FGTSJMAEUALXBL-LBPRGKRZSA-N 1 1 237.318 3.021 20 30 BGEDMO C=CC[N@@H+](CCOC)[C@@H](C)c1ccccc1F ZINC000195000528 367329731 /nfs/dbraw/zinc/32/97/31/367329731.db2.gz FGTSJMAEUALXBL-LBPRGKRZSA-N 1 1 237.318 3.021 20 30 BGEDMO C=CC[N@H+](CCOC)[C@H](C)c1ccccc1F ZINC000195000540 367329704 /nfs/dbraw/zinc/32/97/04/367329704.db2.gz FGTSJMAEUALXBL-GFCCVEGCSA-N 1 1 237.318 3.021 20 30 BGEDMO C=CC[N@@H+](CCOC)[C@H](C)c1ccccc1F ZINC000195000540 367329701 /nfs/dbraw/zinc/32/97/01/367329701.db2.gz FGTSJMAEUALXBL-GFCCVEGCSA-N 1 1 237.318 3.021 20 30 BGEDMO C=CC[N@H+](CCOC)[C@H](C)c1ccccc1C ZINC000195002507 350105665 /nfs/dbraw/zinc/10/56/65/350105665.db2.gz UWYCFQPEHXXLMR-CQSZACIVSA-N 1 1 233.355 3.190 20 30 BGEDMO C=CC[N@H+](CCOC)[C@@H](C)c1ccccc1C ZINC000195002518 350105473 /nfs/dbraw/zinc/10/54/73/350105473.db2.gz UWYCFQPEHXXLMR-AWEZNQCLSA-N 1 1 233.355 3.190 20 30 BGEDMO C=CC[N@H+](CCOC)[C@@H](C)c1cccc(F)c1 ZINC000195002758 367330528 /nfs/dbraw/zinc/33/05/28/367330528.db2.gz OFFRDVPHBZPIRP-LBPRGKRZSA-N 1 1 237.318 3.021 20 30 BGEDMO C=CC[N@H+](CCOC)[C@H](C)c1cccc(F)c1 ZINC000195002768 367330584 /nfs/dbraw/zinc/33/05/84/367330584.db2.gz OFFRDVPHBZPIRP-GFCCVEGCSA-N 1 1 237.318 3.021 20 30 BGEDMO C=CC[N@H+](CCOC)[C@@H]1CCCc2ccccc21 ZINC000195002849 367329455 /nfs/dbraw/zinc/32/94/55/367329455.db2.gz WXIMOQUNZJZTEB-MRXNPFEDSA-N 1 1 245.366 3.198 20 30 BGEDMO C=CC[N@H+](CCOC)[C@H]1CCCc2ccccc21 ZINC000195002865 367330484 /nfs/dbraw/zinc/33/04/84/367330484.db2.gz WXIMOQUNZJZTEB-INIZCTEOSA-N 1 1 245.366 3.198 20 30 BGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CC ZINC000195003926 367329619 /nfs/dbraw/zinc/32/96/19/367329619.db2.gz WRPZMTBMPIWUOR-CYBMUJFWSA-N 1 1 228.339 3.345 20 30 BGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)CC ZINC000195003939 367329634 /nfs/dbraw/zinc/32/96/34/367329634.db2.gz WRPZMTBMPIWUOR-ZDUSSCGKSA-N 1 1 228.339 3.345 20 30 BGEDMO C=C(C)C[N@@H+](CC)CCc1ccccc1F ZINC000195007406 367332767 /nfs/dbraw/zinc/33/27/67/367332767.db2.gz IPSLWDFBUYFAED-UHFFFAOYSA-N 1 1 221.319 3.266 20 30 BGEDMO C[N@@H+](CCCCC#N)[C@@H]1CCc2ccccc21 ZINC000195052053 388085145 /nfs/dbraw/zinc/08/51/45/388085145.db2.gz AXGRVXWWZPWTMY-OAHLLOKOSA-N 1 1 228.339 3.300 20 30 BGEDMO C[N@@H+](CCCCC#N)[C@H]1CCc2ccccc21 ZINC000195052062 388085475 /nfs/dbraw/zinc/08/54/75/388085475.db2.gz AXGRVXWWZPWTMY-HNNXBMFYSA-N 1 1 228.339 3.300 20 30 BGEDMO C[N@@H+](CCCCC#N)CCCc1ccccc1 ZINC000195052192 388085218 /nfs/dbraw/zinc/08/52/18/388085218.db2.gz GGQIYGPEUABGBF-UHFFFAOYSA-N 1 1 230.355 3.245 20 30 BGEDMO CC(C)[N@H+](Cc1ccc(C#N)o1)CC1CCC1 ZINC000195077806 188353570 /nfs/dbraw/zinc/35/35/70/188353570.db2.gz RTGKHOHQTKPQIR-UHFFFAOYSA-N 1 1 232.327 3.162 20 30 BGEDMO C=CC[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000195348004 367356320 /nfs/dbraw/zinc/35/63/20/367356320.db2.gz XRKOFTACYQPFNH-JTQLQIEISA-N 1 1 232.352 3.475 20 30 BGEDMO C=CC[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000195348004 367356317 /nfs/dbraw/zinc/35/63/17/367356317.db2.gz XRKOFTACYQPFNH-JTQLQIEISA-N 1 1 232.352 3.475 20 30 BGEDMO C=CC[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000195348009 367355998 /nfs/dbraw/zinc/35/59/98/367355998.db2.gz XRKOFTACYQPFNH-SNVBAGLBSA-N 1 1 232.352 3.475 20 30 BGEDMO C=CC[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000195348009 367355994 /nfs/dbraw/zinc/35/59/94/367355994.db2.gz XRKOFTACYQPFNH-SNVBAGLBSA-N 1 1 232.352 3.475 20 30 BGEDMO C=CC[N@@H+](CCSC)CCc1ccccc1 ZINC000195355717 367356773 /nfs/dbraw/zinc/35/67/73/367356773.db2.gz YHTPNTKSJWXRBL-UHFFFAOYSA-N 1 1 235.396 3.080 20 30 BGEDMO C=C(Cl)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000195433440 387915531 /nfs/dbraw/zinc/91/55/31/387915531.db2.gz GBDTULKMCQFXAV-UHFFFAOYSA-N 1 1 243.778 3.163 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1ccc(F)cc1 ZINC000195434541 387916010 /nfs/dbraw/zinc/91/60/10/387916010.db2.gz KCLQDTXWTFYIGN-RYUDHWBXSA-N 1 1 234.318 3.368 20 30 BGEDMO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1ccc(F)cc1 ZINC000195434541 387916005 /nfs/dbraw/zinc/91/60/05/387916005.db2.gz KCLQDTXWTFYIGN-RYUDHWBXSA-N 1 1 234.318 3.368 20 30 BGEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1ccc(F)cc1 ZINC000195434548 387917290 /nfs/dbraw/zinc/91/72/90/387917290.db2.gz KCLQDTXWTFYIGN-NEPJUHHUSA-N 1 1 234.318 3.368 20 30 BGEDMO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1ccc(F)cc1 ZINC000195434548 387917285 /nfs/dbraw/zinc/91/72/85/387917285.db2.gz KCLQDTXWTFYIGN-NEPJUHHUSA-N 1 1 234.318 3.368 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1cccc(F)c1 ZINC000195434933 388708241 /nfs/dbraw/zinc/70/82/41/388708241.db2.gz SYSZZZGASFBUOF-RYUDHWBXSA-N 1 1 234.318 3.368 20 30 BGEDMO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1cccc(F)c1 ZINC000195434933 388708239 /nfs/dbraw/zinc/70/82/39/388708239.db2.gz SYSZZZGASFBUOF-RYUDHWBXSA-N 1 1 234.318 3.368 20 30 BGEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1cccc(F)c1 ZINC000195434938 259606041 /nfs/dbraw/zinc/60/60/41/259606041.db2.gz SYSZZZGASFBUOF-NEPJUHHUSA-N 1 1 234.318 3.368 20 30 BGEDMO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1cccc(F)c1 ZINC000195434938 259606039 /nfs/dbraw/zinc/60/60/39/259606039.db2.gz SYSZZZGASFBUOF-NEPJUHHUSA-N 1 1 234.318 3.368 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)CCc1ccccc1 ZINC000195434987 388708076 /nfs/dbraw/zinc/70/80/76/388708076.db2.gz SZYOJRGUOUEFMI-GJZGRUSLSA-N 1 1 244.382 3.489 20 30 BGEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)CCc1ccccc1 ZINC000195434994 388708568 /nfs/dbraw/zinc/70/85/68/388708568.db2.gz SZYOJRGUOUEFMI-CABCVRRESA-N 1 1 244.382 3.489 20 30 BGEDMO 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3.318 20 30 BGEDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000223552803 134340245 /nfs/dbraw/zinc/34/02/45/134340245.db2.gz TYOLFDHNKQPAMQ-RYUDHWBXSA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000223557181 387119410 /nfs/dbraw/zinc/11/94/10/387119410.db2.gz AIDQRZSCJKYZTE-CYBMUJFWSA-N 1 1 246.329 3.175 20 30 BGEDMO CC(C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000223557237 259567136 /nfs/dbraw/zinc/56/71/36/259567136.db2.gz AIDQRZSCJKYZTE-ZDUSSCGKSA-N 1 1 246.329 3.175 20 30 BGEDMO CC(C)[N@H+](Cc1cccc(C#N)c1F)CC1CC1 ZINC000223561136 356799484 /nfs/dbraw/zinc/79/94/84/356799484.db2.gz XYNMVPFMZBCMLJ-UHFFFAOYSA-N 1 1 246.329 3.318 20 30 BGEDMO CCC(C)(C)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000223564209 535354864 /nfs/dbraw/zinc/35/48/64/535354864.db2.gz XBIVUYVQXFFOQS-UHFFFAOYSA-N 1 1 234.318 3.318 20 30 BGEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000223572249 134340298 /nfs/dbraw/zinc/34/02/98/134340298.db2.gz CDXYCJASDAIQDV-NEPJUHHUSA-N 1 1 246.329 3.175 20 30 BGEDMO C[C@H]1C[N@H+](Cc2cccc(C#N)c2F)CC[C@@H]1C ZINC000223572307 134340631 /nfs/dbraw/zinc/34/06/31/134340631.db2.gz CDXYCJASDAIQDV-RYUDHWBXSA-N 1 1 246.329 3.175 20 30 BGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cccc(C#N)c1F ZINC000223572952 134340395 /nfs/dbraw/zinc/34/03/95/134340395.db2.gz QRNJDCHJKXMGDN-BXUZGUMPSA-N 1 1 246.329 3.460 20 30 BGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cccc(C#N)c1F ZINC000223573013 536093236 /nfs/dbraw/zinc/09/32/36/536093236.db2.gz QRNJDCHJKXMGDN-RISCZKNCSA-N 1 1 246.329 3.460 20 30 BGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc(C#N)c1F ZINC000223573077 134340753 /nfs/dbraw/zinc/34/07/53/134340753.db2.gz QRNJDCHJKXMGDN-SMDDNHRTSA-N 1 1 246.329 3.460 20 30 BGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1cccc(C#N)c1F ZINC000223573138 134340503 /nfs/dbraw/zinc/34/05/03/134340503.db2.gz QRNJDCHJKXMGDN-FZMZJTMJSA-N 1 1 246.329 3.460 20 30 BGEDMO C[C@H]1CCSCC[N@H+]1CCCC(C)(C)C#N ZINC000225667699 177179892 /nfs/dbraw/zinc/17/98/92/177179892.db2.gz XRKDGDRZOOMOIP-LBPRGKRZSA-N 1 1 240.416 3.144 20 30 BGEDMO C[C@@H]1CCSCC[N@H+]1CCCC(C)(C)C#N ZINC000225667731 176194018 /nfs/dbraw/zinc/19/40/18/176194018.db2.gz XRKDGDRZOOMOIP-GFCCVEGCSA-N 1 1 240.416 3.144 20 30 BGEDMO C=CCSCCNc1cc[nH+]cc1Cl ZINC000226798772 388730129 /nfs/dbraw/zinc/73/01/29/388730129.db2.gz QYVJNMRUMCJYBO-UHFFFAOYSA-N 1 1 228.748 3.066 20 30 BGEDMO CCCCCCCC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000226865832 640801455 /nfs/dbraw/zinc/80/14/55/640801455.db2.gz MGXOWPIOIXAXEE-LSDHHAIUSA-N 1 1 240.435 3.419 20 30 BGEDMO CCCCCCCC[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000226865838 635443841 /nfs/dbraw/zinc/44/38/41/635443841.db2.gz MGXOWPIOIXAXEE-GJZGRUSLSA-N 1 1 240.435 3.419 20 30 BGEDMO CCCCCCC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000226866962 640802282 /nfs/dbraw/zinc/80/22/82/640802282.db2.gz YRIXMBGBFMNYDW-UONOGXRCSA-N 1 1 226.408 3.029 20 30 BGEDMO CCCCCCC[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000226866972 640802838 /nfs/dbraw/zinc/80/28/38/640802838.db2.gz YRIXMBGBFMNYDW-KBPBESRZSA-N 1 1 226.408 3.029 20 30 BGEDMO CC(C)c1[nH+]ccn1Cc1cccc(C#N)c1F ZINC000227275549 134379901 /nfs/dbraw/zinc/37/99/01/134379901.db2.gz HUVKUAKPUOSLIE-UHFFFAOYSA-N 1 1 243.285 3.066 20 30 BGEDMO CC1(C#N)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000227352412 134378924 /nfs/dbraw/zinc/37/89/24/134378924.db2.gz WKLGNABOCJXKOQ-UHFFFAOYSA-N 1 1 248.757 3.466 20 30 BGEDMO CC1(C#N)CC[NH+](Cc2ccccc2Cl)CC1 ZINC000227352439 350493274 /nfs/dbraw/zinc/49/32/74/350493274.db2.gz JKPWJYPOQODUOV-UHFFFAOYSA-N 1 1 248.757 3.466 20 30 BGEDMO CC1(C#N)CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000227353589 134378870 /nfs/dbraw/zinc/37/88/70/134378870.db2.gz GNBHERMNHMAZSW-UHFFFAOYSA-N 1 1 248.757 3.466 20 30 BGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000228012470 411182015 /nfs/dbraw/zinc/18/20/15/411182015.db2.gz PEZIOGGPLVQZGM-JKSUJKDBSA-N 1 1 240.350 3.323 20 30 BGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000228012480 187322864 /nfs/dbraw/zinc/32/28/64/187322864.db2.gz PEZIOGGPLVQZGM-HZPDHXFCSA-N 1 1 240.350 3.323 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000228012704 181103225 /nfs/dbraw/zinc/10/32/25/181103225.db2.gz SPWJYZNRGDSGMX-JKSUJKDBSA-N 1 1 240.350 3.323 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000228012721 181103408 /nfs/dbraw/zinc/10/34/08/181103408.db2.gz SPWJYZNRGDSGMX-HZPDHXFCSA-N 1 1 240.350 3.323 20 30 BGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228012765 411181422 /nfs/dbraw/zinc/18/14/22/411181422.db2.gz ZIOSUOFBFPSZKK-XJKSGUPXSA-N 1 1 240.350 3.323 20 30 BGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228012779 411181729 /nfs/dbraw/zinc/18/17/29/411181729.db2.gz ZIOSUOFBFPSZKK-CZUORRHYSA-N 1 1 240.350 3.323 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228013155 387060723 /nfs/dbraw/zinc/06/07/23/387060723.db2.gz APFMQOGICGBZJZ-QWHCGFSZSA-N 1 1 220.360 3.191 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228013169 387060430 /nfs/dbraw/zinc/06/04/30/387060430.db2.gz APFMQOGICGBZJZ-CHWSQXEVSA-N 1 1 220.360 3.191 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CCSC(C)(C)CC1 ZINC000228087514 387065487 /nfs/dbraw/zinc/06/54/87/387065487.db2.gz UCJKLNPXZMNJIP-UHFFFAOYSA-N 1 1 240.416 3.144 20 30 BGEDMO CC[N@H+](CCC#N)CCCCc1ccccc1 ZINC000228444113 136278622 /nfs/dbraw/zinc/27/86/22/136278622.db2.gz CFBLZFSZAQSYQZ-UHFFFAOYSA-N 1 1 230.355 3.245 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)CCCCc1ccccc1 ZINC000228444126 136278656 /nfs/dbraw/zinc/27/86/56/136278656.db2.gz NHISPEBWMXTNNG-AWEZNQCLSA-N 1 1 230.355 3.101 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)CCCCc1ccccc1 ZINC000228444134 136278690 /nfs/dbraw/zinc/27/86/90/136278690.db2.gz NHISPEBWMXTNNG-CQSZACIVSA-N 1 1 230.355 3.101 20 30 BGEDMO N#C[C@@H]1CCC[N@@H+](CCCCc2ccccc2)C1 ZINC000228444353 640874210 /nfs/dbraw/zinc/87/42/10/640874210.db2.gz OGCKPFJAKDXEDJ-INIZCTEOSA-N 1 1 242.366 3.245 20 30 BGEDMO N#C[C@H]1CCC[N@@H+](CCCCc2ccccc2)C1 ZINC000228444361 640874231 /nfs/dbraw/zinc/87/42/31/640874231.db2.gz OGCKPFJAKDXEDJ-MRXNPFEDSA-N 1 1 242.366 3.245 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000229149672 352606827 /nfs/dbraw/zinc/60/68/27/352606827.db2.gz RJVBNPFVVAFISQ-TZMCWYRMSA-N 1 1 242.366 3.487 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000229149685 350566796 /nfs/dbraw/zinc/56/67/96/350566796.db2.gz RJVBNPFVVAFISQ-GXTWGEPZSA-N 1 1 242.366 3.487 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000229150486 352606859 /nfs/dbraw/zinc/60/68/59/352606859.db2.gz WOFXOPUVAKWXQQ-TZMCWYRMSA-N 1 1 242.366 3.487 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000229150500 352606218 /nfs/dbraw/zinc/60/62/18/352606218.db2.gz WOFXOPUVAKWXQQ-GXTWGEPZSA-N 1 1 242.366 3.487 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000229151486 372124338 /nfs/dbraw/zinc/12/43/38/372124338.db2.gz LTEDUNIMIFHQDO-OCCSQVGLSA-N 1 1 242.366 3.345 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000229151502 372124330 /nfs/dbraw/zinc/12/43/30/372124330.db2.gz LTEDUNIMIFHQDO-JSGCOSHPSA-N 1 1 242.366 3.345 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](C)C[C@H]1C ZINC000229151589 352611816 /nfs/dbraw/zinc/61/18/16/352611816.db2.gz XOJZZEKIWQNJQL-DGCLKSJQSA-N 1 1 228.339 3.097 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000229151606 352612033 /nfs/dbraw/zinc/61/20/33/352612033.db2.gz XOJZZEKIWQNJQL-WCQYABFASA-N 1 1 228.339 3.097 20 30 BGEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000229412660 386549697 /nfs/dbraw/zinc/54/96/97/386549697.db2.gz UGSRPVUXGMDDJH-MGPQQGTHSA-N 1 1 242.366 3.425 20 30 BGEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000229412683 386550999 /nfs/dbraw/zinc/55/09/99/386550999.db2.gz UGSRPVUXGMDDJH-HZSPNIEDSA-N 1 1 242.366 3.425 20 30 BGEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC000229412982 388392486 /nfs/dbraw/zinc/39/24/86/388392486.db2.gz WMRROTUCWTXFIR-MGPQQGTHSA-N 1 1 242.366 3.425 20 30 BGEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC000229413003 388391897 /nfs/dbraw/zinc/39/18/97/388391897.db2.gz WMRROTUCWTXFIR-HZSPNIEDSA-N 1 1 242.366 3.425 20 30 BGEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC2(CC#N)CC2)C1 ZINC000229413137 353153138 /nfs/dbraw/zinc/15/31/38/353153138.db2.gz QZUFLMCMDLCWMZ-JHJVBQTASA-N 1 1 220.360 3.047 20 30 BGEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CC2(CC#N)CC2)C1 ZINC000229413162 353153093 /nfs/dbraw/zinc/15/30/93/353153093.db2.gz QZUFLMCMDLCWMZ-FRRDWIJNSA-N 1 1 220.360 3.047 20 30 BGEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000229413236 388391714 /nfs/dbraw/zinc/39/17/14/388391714.db2.gz SHXYTRRORBVWND-MGPQQGTHSA-N 1 1 242.366 3.425 20 30 BGEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000229413257 388392520 /nfs/dbraw/zinc/39/25/20/388392520.db2.gz SHXYTRRORBVWND-HZSPNIEDSA-N 1 1 242.366 3.425 20 30 BGEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCC(C)(C)C#N)C1 ZINC000229413577 388788995 /nfs/dbraw/zinc/78/89/95/388788995.db2.gz JQDHEKPYYKLYPY-JHJVBQTASA-N 1 1 222.376 3.293 20 30 BGEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CCC(C)(C)C#N)C1 ZINC000229413599 388788445 /nfs/dbraw/zinc/78/84/45/388788445.db2.gz JQDHEKPYYKLYPY-FRRDWIJNSA-N 1 1 222.376 3.293 20 30 BGEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCCCC#N)C1 ZINC000229413716 388788477 /nfs/dbraw/zinc/78/84/77/388788477.db2.gz HVSYELJBPPOAJM-JHJVBQTASA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CCCCC#N)C1 ZINC000229413742 363277833 /nfs/dbraw/zinc/27/78/33/363277833.db2.gz HVSYELJBPPOAJM-FRRDWIJNSA-N 1 1 208.349 3.047 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229572060 711838260 /nfs/dbraw/zinc/83/82/60/711838260.db2.gz AHBVNMFENDRLOS-UONOGXRCSA-N 1 1 227.392 3.050 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000229572070 711838264 /nfs/dbraw/zinc/83/82/64/711838264.db2.gz AHBVNMFENDRLOS-KBPBESRZSA-N 1 1 227.392 3.050 20 30 BGEDMO CCCCCCCCC[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229573700 640967835 /nfs/dbraw/zinc/96/78/35/640967835.db2.gz FYSJQIKYBKOISU-LSDHHAIUSA-N 1 1 241.419 3.440 20 30 BGEDMO CCCCCCCCC[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000229573707 640967756 /nfs/dbraw/zinc/96/77/56/640967756.db2.gz FYSJQIKYBKOISU-GJZGRUSLSA-N 1 1 241.419 3.440 20 30 BGEDMO C#CCCCCNc1[nH+]ccc2ccccc21 ZINC000229734770 640974916 /nfs/dbraw/zinc/97/49/16/640974916.db2.gz FEGUIIXAYRIAEA-UHFFFAOYSA-N 1 1 224.307 3.450 20 30 BGEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229748188 167369607 /nfs/dbraw/zinc/36/96/07/167369607.db2.gz WNXTXVXPPSRHQC-LLVKDONJSA-N 1 1 234.318 3.174 20 30 BGEDMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229748197 386468373 /nfs/dbraw/zinc/46/83/73/386468373.db2.gz WNXTXVXPPSRHQC-NSHDSACASA-N 1 1 234.318 3.174 20 30 BGEDMO CCCC[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000229748414 388397675 /nfs/dbraw/zinc/39/76/75/388397675.db2.gz OXGVMMKQBNBTJU-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO CC(C)[N@H+](Cc1ccc(F)c(C#N)c1)CC1CC1 ZINC000229748542 388397102 /nfs/dbraw/zinc/39/71/02/388397102.db2.gz URHRSCDADVALBJ-UHFFFAOYSA-N 1 1 246.329 3.318 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229748564 169364737 /nfs/dbraw/zinc/36/47/37/169364737.db2.gz UULPFOQRYAHGSA-LLVKDONJSA-N 1 1 234.318 3.318 20 30 BGEDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229748571 385666062 /nfs/dbraw/zinc/66/60/62/385666062.db2.gz UULPFOQRYAHGSA-NSHDSACASA-N 1 1 234.318 3.318 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000229749374 388397534 /nfs/dbraw/zinc/39/75/34/388397534.db2.gz CLLZYHBTLJJTNZ-HNNXBMFYSA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000229749381 388397386 /nfs/dbraw/zinc/39/73/86/388397386.db2.gz CLLZYHBTLJJTNZ-OAHLLOKOSA-N 1 1 246.329 3.318 20 30 BGEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000229749808 388397159 /nfs/dbraw/zinc/39/71/59/388397159.db2.gz KZHQWVSDVWPLME-ZDUSSCGKSA-N 1 1 232.302 3.072 20 30 BGEDMO CCC(C)(C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229750236 168285524 /nfs/dbraw/zinc/28/55/24/168285524.db2.gz DYYMSXNVMCKXOI-UHFFFAOYSA-N 1 1 234.318 3.318 20 30 BGEDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000229750271 488095279 /nfs/dbraw/zinc/09/52/79/488095279.db2.gz CMWJCASMFAQLMD-GFCCVEGCSA-N 1 1 246.329 3.462 20 30 BGEDMO C[C@H]1CCCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000229750277 388397355 /nfs/dbraw/zinc/39/73/55/388397355.db2.gz CMWJCASMFAQLMD-LBPRGKRZSA-N 1 1 246.329 3.462 20 30 BGEDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000229751386 386620390 /nfs/dbraw/zinc/62/03/90/386620390.db2.gz GSKSRMMFHPRENU-CYBMUJFWSA-N 1 1 246.329 3.175 20 30 BGEDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000229751393 386484784 /nfs/dbraw/zinc/48/47/84/386484784.db2.gz GSKSRMMFHPRENU-ZDUSSCGKSA-N 1 1 246.329 3.175 20 30 BGEDMO C#C[C@H](CC)[NH2+]Cc1c(Cl)cccc1Cl ZINC000229885131 640990377 /nfs/dbraw/zinc/99/03/77/640990377.db2.gz UOXHHRSQQVHERB-SECBINFHSA-N 1 1 242.149 3.495 20 30 BGEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000229957075 167368211 /nfs/dbraw/zinc/36/82/11/167368211.db2.gz HPTCDAIBHKLVFT-LLVKDONJSA-N 1 1 234.318 3.174 20 30 BGEDMO CC(C)[C@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000229957081 188015342 /nfs/dbraw/zinc/01/53/42/188015342.db2.gz HPTCDAIBHKLVFT-NSHDSACASA-N 1 1 234.318 3.174 20 30 BGEDMO CCCC[N@@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC000229957294 136273864 /nfs/dbraw/zinc/27/38/64/136273864.db2.gz LXJUHOVEMKKGCI-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO CC(C)[N@H+](Cc1cc(F)ccc1C#N)CC1CC1 ZINC000229957351 388872453 /nfs/dbraw/zinc/87/24/53/388872453.db2.gz YPKSHBOERSMHKU-UHFFFAOYSA-N 1 1 246.329 3.318 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000229957363 384339368 /nfs/dbraw/zinc/33/93/68/384339368.db2.gz BYUXVNQOWQGQDM-LLVKDONJSA-N 1 1 234.318 3.318 20 30 BGEDMO CCC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000229957370 384339339 /nfs/dbraw/zinc/33/93/39/384339339.db2.gz BYUXVNQOWQGQDM-NSHDSACASA-N 1 1 234.318 3.318 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000229958186 384337863 /nfs/dbraw/zinc/33/78/63/384337863.db2.gz RXYJQZCBCVSIHE-HNNXBMFYSA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000229958195 384339114 /nfs/dbraw/zinc/33/91/14/384339114.db2.gz RXYJQZCBCVSIHE-OAHLLOKOSA-N 1 1 246.329 3.318 20 30 BGEDMO CC1(C)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000229958605 384337666 /nfs/dbraw/zinc/33/76/66/384337666.db2.gz DEQFHUIQBXGMDQ-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000229958670 384337522 /nfs/dbraw/zinc/33/75/22/384337522.db2.gz AYIJILZCCSFEPX-CQSZACIVSA-N 1 1 232.302 3.072 20 30 BGEDMO CC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000229958678 384337706 /nfs/dbraw/zinc/33/77/06/384337706.db2.gz AYIJILZCCSFEPX-AWEZNQCLSA-N 1 1 232.302 3.072 20 30 BGEDMO CCC(C)(C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000229959175 168285771 /nfs/dbraw/zinc/28/57/71/168285771.db2.gz LWKLGXAVXDGPEW-UHFFFAOYSA-N 1 1 234.318 3.318 20 30 BGEDMO 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ZINC000231695730 357622235 /nfs/dbraw/zinc/62/22/35/357622235.db2.gz GZFCCYGJXVWYBD-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[N@H+](Cc1cccc(C#N)c1)CC1CCC1 ZINC000231695960 411185891 /nfs/dbraw/zinc/18/58/91/411185891.db2.gz DWVGMICXIBDKMU-UHFFFAOYSA-N 1 1 228.339 3.180 20 30 BGEDMO CC[N@H+](Cc1ccc(C#N)cc1)CC1CCC1 ZINC000231695977 351139435 /nfs/dbraw/zinc/13/94/35/351139435.db2.gz WRBXZXAPYWLAJV-UHFFFAOYSA-N 1 1 228.339 3.180 20 30 BGEDMO C=CCCOCCNc1[nH+]ccc2ccccc21 ZINC000231837872 351400077 /nfs/dbraw/zinc/40/00/77/351400077.db2.gz CRIDJHXQSXOKJF-UHFFFAOYSA-N 1 1 242.322 3.239 20 30 BGEDMO Cc1cc(Cl)ccc1C[NH2+]CC(C)(C)C#N ZINC000231901323 351453436 /nfs/dbraw/zinc/45/34/36/351453436.db2.gz ALOQWAUBVZPSAL-UHFFFAOYSA-N 1 1 236.746 3.288 20 30 BGEDMO CC(C)(C#N)CCCC[N@@H+](CC#N)C1CCCC1 ZINC000232526543 388851420 /nfs/dbraw/zinc/85/14/20/388851420.db2.gz VXDNBXVWSQGDPL-UHFFFAOYSA-N 1 1 247.386 3.475 20 30 BGEDMO CC(C)(C#N)CCCC[N@H+](CC#N)C1CCCC1 ZINC000232526543 388851418 /nfs/dbraw/zinc/85/14/18/388851418.db2.gz VXDNBXVWSQGDPL-UHFFFAOYSA-N 1 1 247.386 3.475 20 30 BGEDMO CC(C)(C#N)CCCC[N@H+]1CCCSCC1 ZINC000232528268 357663390 /nfs/dbraw/zinc/66/33/90/357663390.db2.gz BRNGQZKMMUXWPI-UHFFFAOYSA-N 1 1 240.416 3.145 20 30 BGEDMO CC(C)(C#N)CCCCn1c[nH+]c2c1CCCC2 ZINC000232528924 534981300 /nfs/dbraw/zinc/98/13/00/534981300.db2.gz QKZDUCWCNVIKJS-UHFFFAOYSA-N 1 1 245.370 3.482 20 30 BGEDMO CC(C)(C#N)CCCC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000232532078 388851369 /nfs/dbraw/zinc/85/13/69/388851369.db2.gz IFNPUJNMMCLAMK-OKILXGFUSA-N 1 1 234.387 3.438 20 30 BGEDMO CC(C)C[N@@H+](C)CCCCC(C)(C)C#N ZINC000232589387 363377093 /nfs/dbraw/zinc/37/70/93/363377093.db2.gz HNYHUVDRPVAYGF-UHFFFAOYSA-N 1 1 210.365 3.294 20 30 BGEDMO CCC(C)(C)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000232828605 168286931 /nfs/dbraw/zinc/28/69/31/168286931.db2.gz IOQWTLXLWLQBLQ-UHFFFAOYSA-N 1 1 246.354 3.187 20 30 BGEDMO CCCCCCCCC[N@H+]1CC[C@@](C)(O)C1 ZINC000232940908 635522316 /nfs/dbraw/zinc/52/23/16/635522316.db2.gz XTFPDVJTOFYPIF-CQSZACIVSA-N 1 1 227.392 3.194 20 30 BGEDMO CCCCCCCCC[N@H+]1CC[C@](C)(O)C1 ZINC000232941262 635521801 /nfs/dbraw/zinc/52/18/01/635521801.db2.gz XTFPDVJTOFYPIF-AWEZNQCLSA-N 1 1 227.392 3.194 20 30 BGEDMO CCCC[N@@H+](C)CCCCC(C)(C)C#N ZINC000232958964 323183346 /nfs/dbraw/zinc/18/33/46/323183346.db2.gz JRTCTPNCXGVQSR-UHFFFAOYSA-N 1 1 210.365 3.438 20 30 BGEDMO CCCC[N@@H+](CC)Cc1ccc(C#N)c(OC)c1 ZINC000232963600 354951049 /nfs/dbraw/zinc/95/10/49/354951049.db2.gz KGSHIHCDJJQHEZ-UHFFFAOYSA-N 1 1 246.354 3.189 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000232970696 642637205 /nfs/dbraw/zinc/63/72/05/642637205.db2.gz IOTGMWWQRKXOBC-AWEZNQCLSA-N 1 1 226.408 3.018 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000232971040 642637937 /nfs/dbraw/zinc/63/79/37/642637937.db2.gz IOTGMWWQRKXOBC-CQSZACIVSA-N 1 1 226.408 3.018 20 30 BGEDMO CCC[N@@H+](CC)CCCCC(C)(C)C#N ZINC000233029739 388860556 /nfs/dbraw/zinc/86/05/56/388860556.db2.gz VUAUHLQSJUCPFG-UHFFFAOYSA-N 1 1 210.365 3.438 20 30 BGEDMO C=CCCCCC[NH2+]C1CCN(CCC)CC1 ZINC000233033182 342894054 /nfs/dbraw/zinc/89/40/54/342894054.db2.gz SUZJWWAQFKSKRY-UHFFFAOYSA-N 1 1 238.419 3.197 20 30 BGEDMO CCC[N@@H+](Cc1cc(F)ccc1C#N)C(C)C ZINC000233072923 355364260 /nfs/dbraw/zinc/36/42/60/355364260.db2.gz FMCXTQNRWYDBJY-UHFFFAOYSA-N 1 1 234.318 3.318 20 30 BGEDMO CCC[N@@H+](Cc1ccc(C#N)c(OC)c1)C(C)C ZINC000233074557 342895027 /nfs/dbraw/zinc/89/50/27/342895027.db2.gz HEGCQVLGNZZEAI-UHFFFAOYSA-N 1 1 246.354 3.187 20 30 BGEDMO CCC[N@@H+](Cc1ccc(F)c(C#N)c1)C(C)C ZINC000233081788 342894920 /nfs/dbraw/zinc/89/49/20/342894920.db2.gz POEVWIYKRPFWTA-UHFFFAOYSA-N 1 1 234.318 3.318 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000233276632 342853341 /nfs/dbraw/zinc/85/33/41/342853341.db2.gz CJJFQZSYDJUQMF-GFCCVEGCSA-N 1 1 246.354 3.187 20 30 BGEDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000233336606 342857157 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136284905 /nfs/dbraw/zinc/28/49/05/136284905.db2.gz VLQMDRRIKGDAPC-WCQYABFASA-N 1 1 229.327 3.138 20 30 BGEDMO CCc1ccc[nH+]c1N[C@H]1CCC[C@@H](C#N)C1 ZINC000274237928 136284862 /nfs/dbraw/zinc/28/48/62/136284862.db2.gz VLQMDRRIKGDAPC-YPMHNXCESA-N 1 1 229.327 3.138 20 30 BGEDMO C#CCC[N@H+](CCC)CCc1cccs1 ZINC000274288576 398151227 /nfs/dbraw/zinc/15/12/27/398151227.db2.gz FTQPPJNQRWPTAG-UHFFFAOYSA-N 1 1 221.369 3.026 20 30 BGEDMO Cc1cc(Cl)ccc1C[N@H+](C)C[C@@H](C)C#N ZINC000274326860 178066888 /nfs/dbraw/zinc/06/68/88/178066888.db2.gz DYPKUXFMIIOYLN-JTQLQIEISA-N 1 1 236.746 3.240 20 30 BGEDMO Cc1cc(Cl)ccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000274326860 178066886 /nfs/dbraw/zinc/06/68/86/178066886.db2.gz DYPKUXFMIIOYLN-JTQLQIEISA-N 1 1 236.746 3.240 20 30 BGEDMO Cc1cc(Cl)ccc1C[N@H+](C)C[C@H](C)C#N ZINC000274326863 178067031 /nfs/dbraw/zinc/06/70/31/178067031.db2.gz DYPKUXFMIIOYLN-SNVBAGLBSA-N 1 1 236.746 3.240 20 30 BGEDMO Cc1cc(Cl)ccc1C[N@@H+](C)C[C@H](C)C#N ZINC000274326863 178067030 /nfs/dbraw/zinc/06/70/30/178067030.db2.gz DYPKUXFMIIOYLN-SNVBAGLBSA-N 1 1 236.746 3.240 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1sccc1OC ZINC000274584410 188264678 /nfs/dbraw/zinc/26/46/78/188264678.db2.gz LRXHSRBHPCHWDK-MRVPVSSYSA-N 1 1 231.748 3.160 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1sccc1OC ZINC000274584413 389046652 /nfs/dbraw/zinc/04/66/52/389046652.db2.gz LRXHSRBHPCHWDK-QMMMGPOBSA-N 1 1 231.748 3.160 20 30 BGEDMO C=C(C)CC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000274730225 387491712 /nfs/dbraw/zinc/49/17/12/387491712.db2.gz BQZNGKXBZYBVTI-HNNXBMFYSA-N 1 1 231.339 3.026 20 30 BGEDMO C=C(C)CC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000274730228 188092316 /nfs/dbraw/zinc/09/23/16/188092316.db2.gz BQZNGKXBZYBVTI-OAHLLOKOSA-N 1 1 231.339 3.026 20 30 BGEDMO C=C(C)CC[N@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000274730397 188092805 /nfs/dbraw/zinc/09/28/05/188092805.db2.gz BXYCYBJDJDXARX-UHFFFAOYSA-N 1 1 249.354 3.102 20 30 BGEDMO C=C(C)CC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000274758299 188093019 /nfs/dbraw/zinc/09/30/19/188093019.db2.gz CYNHINXJWAIANA-GFCCVEGCSA-N 1 1 237.368 3.088 20 30 BGEDMO C=C(C)CC[N@@H+](Cc1ccco1)C(C)C ZINC000274759782 387491873 /nfs/dbraw/zinc/49/18/73/387491873.db2.gz DFDUEWCISJKIOF-UHFFFAOYSA-N 1 1 207.317 3.456 20 30 BGEDMO C=C(C)CC[N@H+](C)Cc1cc(Cl)cn1C ZINC000274759844 387491813 /nfs/dbraw/zinc/49/18/13/387491813.db2.gz DHEOJXIYZPCIIR-UHFFFAOYSA-N 1 1 226.751 3.077 20 30 BGEDMO C=C(C)CC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000274760851 387489390 /nfs/dbraw/zinc/48/93/90/387489390.db2.gz DQIUMXIMTCZOIU-HNNXBMFYSA-N 1 1 249.329 3.165 20 30 BGEDMO C=C(C)CC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000274760851 387489386 /nfs/dbraw/zinc/48/93/86/387489386.db2.gz DQIUMXIMTCZOIU-HNNXBMFYSA-N 1 1 249.329 3.165 20 30 BGEDMO C=C(C)CC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000274760852 387489298 /nfs/dbraw/zinc/48/92/98/387489298.db2.gz DQIUMXIMTCZOIU-OAHLLOKOSA-N 1 1 249.329 3.165 20 30 BGEDMO C=C(C)CC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000274760852 387489294 /nfs/dbraw/zinc/48/92/94/387489294.db2.gz DQIUMXIMTCZOIU-OAHLLOKOSA-N 1 1 249.329 3.165 20 30 BGEDMO C=C(C)CC[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000274760871 187237587 /nfs/dbraw/zinc/23/75/87/187237587.db2.gz DQQYKHLOSVRQTF-AWEZNQCLSA-N 1 1 245.366 3.451 20 30 BGEDMO C=C(C)CC[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000274760874 187237868 /nfs/dbraw/zinc/23/78/68/187237868.db2.gz DQQYKHLOSVRQTF-CQSZACIVSA-N 1 1 245.366 3.451 20 30 BGEDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000274763252 177164028 /nfs/dbraw/zinc/16/40/28/177164028.db2.gz FDHVSLMUPHMLLX-JTQLQIEISA-N 1 1 234.730 3.053 20 30 BGEDMO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000274763252 177164027 /nfs/dbraw/zinc/16/40/27/177164027.db2.gz FDHVSLMUPHMLLX-JTQLQIEISA-N 1 1 234.730 3.053 20 30 BGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000274763253 176174361 /nfs/dbraw/zinc/17/43/61/176174361.db2.gz FDHVSLMUPHMLLX-SNVBAGLBSA-N 1 1 234.730 3.053 20 30 BGEDMO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000274763253 176174360 /nfs/dbraw/zinc/17/43/60/176174360.db2.gz FDHVSLMUPHMLLX-SNVBAGLBSA-N 1 1 234.730 3.053 20 30 BGEDMO C=C(C)CC[N@H+]1CCc2sccc2C1 ZINC000274766367 387489096 /nfs/dbraw/zinc/48/90/96/387489096.db2.gz LINHJDKBYYISFS-UHFFFAOYSA-N 1 1 207.342 3.072 20 30 BGEDMO C=C(C)CC[N@H+](CCOC)Cc1ccc(C)o1 ZINC000274769073 387491339 /nfs/dbraw/zinc/49/13/39/387491339.db2.gz GZYSQEOSONWYBB-UHFFFAOYSA-N 1 1 237.343 3.003 20 30 BGEDMO C=C(C)CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000274771268 387492728 /nfs/dbraw/zinc/49/27/28/387492728.db2.gz HPLRCCJSMSAPQO-UHFFFAOYSA-N 1 1 240.350 3.489 20 30 BGEDMO C=C(C)CC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000274772558 188264911 /nfs/dbraw/zinc/26/49/11/188264911.db2.gz IAZAPYMWOXKCKF-HNNXBMFYSA-N 1 1 249.329 3.165 20 30 BGEDMO C=C(C)CC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000274772558 188264910 /nfs/dbraw/zinc/26/49/10/188264910.db2.gz IAZAPYMWOXKCKF-HNNXBMFYSA-N 1 1 249.329 3.165 20 30 BGEDMO C=C(C)CC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000274772561 387491316 /nfs/dbraw/zinc/49/13/16/387491316.db2.gz IAZAPYMWOXKCKF-OAHLLOKOSA-N 1 1 249.329 3.165 20 30 BGEDMO C=C(C)CC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000274772561 387491312 /nfs/dbraw/zinc/49/13/12/387491312.db2.gz IAZAPYMWOXKCKF-OAHLLOKOSA-N 1 1 249.329 3.165 20 30 BGEDMO C=C(C)CC[N@H+](C)CCc1cccs1 ZINC000274773728 188092545 /nfs/dbraw/zinc/09/25/45/188092545.db2.gz IDAVFSNKSLAGEO-UHFFFAOYSA-N 1 1 209.358 3.189 20 30 BGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1c1cccn1C ZINC000274775070 187748889 /nfs/dbraw/zinc/74/88/89/187748889.db2.gz IUUVOPWJWBHGGY-AWEZNQCLSA-N 1 1 218.344 3.128 20 30 BGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000274775072 188092797 /nfs/dbraw/zinc/09/27/97/188092797.db2.gz IUUVOPWJWBHGGY-CQSZACIVSA-N 1 1 218.344 3.128 20 30 BGEDMO C=C(C)CC[N@H+](C)Cc1ccccc1OC ZINC000274776136 188092989 /nfs/dbraw/zinc/09/29/89/188092989.db2.gz OCJBBLSSSCRULK-UHFFFAOYSA-N 1 1 219.328 3.093 20 30 BGEDMO C=C(C)CC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000274777071 387492170 /nfs/dbraw/zinc/49/21/70/387492170.db2.gz JKVHWBXIGMQISR-GFCCVEGCSA-N 1 1 219.328 3.351 20 30 BGEDMO C=C(C)CC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000274777074 187237920 /nfs/dbraw/zinc/23/79/20/187237920.db2.gz JKVHWBXIGMQISR-LBPRGKRZSA-N 1 1 219.328 3.351 20 30 BGEDMO C=C(C)CC[N@H+](C)Cc1ccc(OC)cc1 ZINC000274777140 387493040 /nfs/dbraw/zinc/49/30/40/387493040.db2.gz OETHKYJVNXHJOR-UHFFFAOYSA-N 1 1 219.328 3.093 20 30 BGEDMO C=C(C)CC[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000274781402 387491858 /nfs/dbraw/zinc/49/18/58/387491858.db2.gz KTECFMOXUDPUCF-UHFFFAOYSA-N 1 1 249.358 3.093 20 30 BGEDMO C=C(C)CC[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000274782659 187748796 /nfs/dbraw/zinc/74/87/96/187748796.db2.gz LHBPPESQYADGMY-HNNXBMFYSA-N 1 1 233.355 3.008 20 30 BGEDMO C=C(C)CC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000274782664 387490694 /nfs/dbraw/zinc/49/06/94/387490694.db2.gz LHBPPESQYADGMY-OAHLLOKOSA-N 1 1 233.355 3.008 20 30 BGEDMO C=C(C)CC[N@H+](C)[C@H](C)c1ccccn1 ZINC000274787832 187238361 /nfs/dbraw/zinc/23/83/61/187238361.db2.gz BIVYPRWSIBCENV-GFCCVEGCSA-N 1 1 204.317 3.041 20 30 BGEDMO C=C(C)CC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000274787836 188092600 /nfs/dbraw/zinc/09/26/00/188092600.db2.gz BIVYPRWSIBCENV-LBPRGKRZSA-N 1 1 204.317 3.041 20 30 BGEDMO C=C(C)CC[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000274788841 387489830 /nfs/dbraw/zinc/48/98/30/387489830.db2.gz NKWIJRARRHDIPG-INIZCTEOSA-N 1 1 245.366 3.198 20 30 BGEDMO C=C(C)CC[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000274788843 187237862 /nfs/dbraw/zinc/23/78/62/187237862.db2.gz NKWIJRARRHDIPG-MRXNPFEDSA-N 1 1 245.366 3.198 20 30 BGEDMO C=C(C)CC[N@H+]1CCc2ccsc2C1 ZINC000274792889 188028169 /nfs/dbraw/zinc/02/81/69/188028169.db2.gz CMGOFRCGQJTBDX-UHFFFAOYSA-N 1 1 207.342 3.072 20 30 BGEDMO C=C(C)CC[N@@H+](Cc1ccncc1)C1CC1 ZINC000274794066 188092940 /nfs/dbraw/zinc/09/29/40/188092940.db2.gz CWWYOLAYIALRSG-UHFFFAOYSA-N 1 1 216.328 3.012 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000274796297 387493301 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CC[N@@H+](Cc1cccs1)[C@H](C)CCC#N ZINC000276322611 351616541 /nfs/dbraw/zinc/61/65/41/351616541.db2.gz PEPNVOIBPUQTPU-LLVKDONJSA-N 1 1 222.357 3.262 20 30 BGEDMO CC[N@@H+](Cc1cccs1)[C@@H](C)CCC#N ZINC000276322612 351616856 /nfs/dbraw/zinc/61/68/56/351616856.db2.gz PEPNVOIBPUQTPU-NSHDSACASA-N 1 1 222.357 3.262 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000276334491 351617083 /nfs/dbraw/zinc/61/70/83/351617083.db2.gz RQDXSKQXFLIBPK-LLVKDONJSA-N 1 1 248.757 3.390 20 30 BGEDMO C[C@H](CCC#N)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000276334491 351617080 /nfs/dbraw/zinc/61/70/80/351617080.db2.gz RQDXSKQXFLIBPK-LLVKDONJSA-N 1 1 248.757 3.390 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000276334493 351617203 /nfs/dbraw/zinc/61/72/03/351617203.db2.gz RQDXSKQXFLIBPK-NSHDSACASA-N 1 1 248.757 3.390 20 30 BGEDMO C[C@@H](CCC#N)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000276334493 351617201 /nfs/dbraw/zinc/61/72/01/351617201.db2.gz RQDXSKQXFLIBPK-NSHDSACASA-N 1 1 248.757 3.390 20 30 BGEDMO C=CCC[N@H+](C)[C@H](C)c1nc2ccccc2o1 ZINC000276336666 166261888 /nfs/dbraw/zinc/26/18/88/166261888.db2.gz BWDKYFSOCWTICT-LLVKDONJSA-N 1 1 230.311 3.397 20 30 BGEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000276340101 351616912 /nfs/dbraw/zinc/61/69/12/351616912.db2.gz TUVZNOAEGGOVKF-JTQLQIEISA-N 1 1 238.281 3.089 20 30 BGEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000276340102 351617508 /nfs/dbraw/zinc/61/75/08/351617508.db2.gz TUVZNOAEGGOVKF-SNVBAGLBSA-N 1 1 238.281 3.089 20 30 BGEDMO C[C@@H](CCC#N)[N@@H+](C)CCCOc1ccccc1 ZINC000276344011 386304301 /nfs/dbraw/zinc/30/43/01/386304301.db2.gz UOXROVYLUFWWNO-AWEZNQCLSA-N 1 1 246.354 3.080 20 30 BGEDMO C[C@H](CCC#N)[N@@H+](C)CCCOc1ccccc1 ZINC000276344014 386305873 /nfs/dbraw/zinc/30/58/73/386305873.db2.gz UOXROVYLUFWWNO-CQSZACIVSA-N 1 1 246.354 3.080 20 30 BGEDMO COc1ccc(C[N@@H+](C)[C@H](C)CCC#N)cc1C ZINC000276345563 386303866 /nfs/dbraw/zinc/30/38/66/386303866.db2.gz VBKZVBPKCNWQBS-CYBMUJFWSA-N 1 1 246.354 3.128 20 30 BGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)CCC#N)cc1C ZINC000276345566 386304779 /nfs/dbraw/zinc/30/47/79/386304779.db2.gz VBKZVBPKCNWQBS-ZDUSSCGKSA-N 1 1 246.354 3.128 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000276352805 386308620 /nfs/dbraw/zinc/30/86/20/386308620.db2.gz WWURQFZUYROCRU-DZGCQCFKSA-N 1 1 228.339 3.168 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000276352807 386309031 /nfs/dbraw/zinc/30/90/31/386309031.db2.gz WWURQFZUYROCRU-HIFRSBDPSA-N 1 1 228.339 3.168 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000276352809 386307928 /nfs/dbraw/zinc/30/79/28/386307928.db2.gz WWURQFZUYROCRU-UKRRQHHQSA-N 1 1 228.339 3.168 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000276352811 386306838 /nfs/dbraw/zinc/30/68/38/386306838.db2.gz WWURQFZUYROCRU-ZFWWWQNUSA-N 1 1 228.339 3.168 20 30 BGEDMO C=CCC[N@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000276356779 166258453 /nfs/dbraw/zinc/25/84/53/166258453.db2.gz FFBRAHZRINXNGB-UHFFFAOYSA-N 1 1 238.400 3.449 20 30 BGEDMO C=CCC[N@@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000276356779 166258450 /nfs/dbraw/zinc/25/84/50/166258450.db2.gz FFBRAHZRINXNGB-UHFFFAOYSA-N 1 1 238.400 3.449 20 30 BGEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000276359900 351618572 /nfs/dbraw/zinc/61/85/72/351618572.db2.gz YLONHDPPDFUOAX-LLVKDONJSA-N 1 1 236.746 3.464 20 30 BGEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000276359901 351618397 /nfs/dbraw/zinc/61/83/97/351618397.db2.gz YLONHDPPDFUOAX-NSHDSACASA-N 1 1 236.746 3.464 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000276372381 351618083 /nfs/dbraw/zinc/61/80/83/351618083.db2.gz GZBVKLHTVCVZGY-UHFFFAOYSA-N 1 1 242.366 3.496 20 30 BGEDMO C=CCC[N@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000276377666 166258742 /nfs/dbraw/zinc/25/87/42/166258742.db2.gz HQQUVAHDXRLRFD-UHFFFAOYSA-N 1 1 248.351 3.411 20 30 BGEDMO C=CCC[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000276377673 166260174 /nfs/dbraw/zinc/26/01/74/166260174.db2.gz HRBIIZWNFOUASF-UHFFFAOYSA-N 1 1 238.400 3.449 20 30 BGEDMO C=CCC[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000276377673 166260171 /nfs/dbraw/zinc/26/01/71/166260171.db2.gz HRBIIZWNFOUASF-UHFFFAOYSA-N 1 1 238.400 3.449 20 30 BGEDMO C=CCC[N@H+](C)Cc1nc(Cl)ccc1Cl ZINC000276393009 166259919 /nfs/dbraw/zinc/25/99/19/166259919.db2.gz JMWZBIPRBIPZCZ-UHFFFAOYSA-N 1 1 245.153 3.396 20 30 BGEDMO C=CCC[N@@H+](C)Cc1nc(Cl)ccc1Cl ZINC000276393009 166259916 /nfs/dbraw/zinc/25/99/16/166259916.db2.gz JMWZBIPRBIPZCZ-UHFFFAOYSA-N 1 1 245.153 3.396 20 30 BGEDMO C=CCC[N@H+](C)C/C=C/c1ccccc1 ZINC000276395126 166256508 /nfs/dbraw/zinc/25/65/08/166256508.db2.gz JTNPBVKFGIUFBD-DHZHZOJOSA-N 1 1 201.313 3.208 20 30 BGEDMO C=CCC[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000276397134 166257505 /nfs/dbraw/zinc/25/75/05/166257505.db2.gz JYZAEMWTACSBOP-UHFFFAOYSA-N 1 1 231.339 3.076 20 30 BGEDMO C=CCC[N@H+](C)Cc1cccc2cccnc21 ZINC000276408227 166260115 /nfs/dbraw/zinc/26/01/15/166260115.db2.gz LHMRAKMPXIXSQX-UHFFFAOYSA-N 1 1 226.323 3.243 20 30 BGEDMO C=CCCCCC[N@H+](C)Cc1ccc(F)cn1 ZINC000276421671 188093836 /nfs/dbraw/zinc/09/38/36/188093836.db2.gz XFIYTBPGXMTXJZ-UHFFFAOYSA-N 1 1 236.334 3.399 20 30 BGEDMO C=CCC[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000276434549 166260519 /nfs/dbraw/zinc/26/05/19/166260519.db2.gz NYFWJZDLUSKWSO-UHFFFAOYSA-N 1 1 242.322 3.350 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000276456525 166256183 /nfs/dbraw/zinc/25/61/83/166256183.db2.gz QFWZQTDOZGAOTJ-UHFFFAOYSA-N 1 1 242.322 3.350 20 30 BGEDMO C=CCC[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000276458280 166259202 /nfs/dbraw/zinc/25/92/02/166259202.db2.gz QKEBQKKXRZMXFH-UHFFFAOYSA-N 1 1 242.322 3.350 20 30 BGEDMO C=CCC[N@H+](C)Cc1csc(-c2ccco2)n1 ZINC000276484726 166260083 /nfs/dbraw/zinc/26/00/83/166260083.db2.gz TZUJYTOGERBURN-UHFFFAOYSA-N 1 1 248.351 3.411 20 30 BGEDMO C=CCC[N@@H+](C)Cc1csc(-c2ccco2)n1 ZINC000276484726 166260079 /nfs/dbraw/zinc/26/00/79/166260079.db2.gz TZUJYTOGERBURN-UHFFFAOYSA-N 1 1 248.351 3.411 20 30 BGEDMO C=CCC[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC000276491040 166260397 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VAFAYNPTXSPLLS-UHFFFAOYSA-N 1 1 248.757 3.384 20 30 BGEDMO C=CCCc1noc([C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000297378587 342992711 /nfs/dbraw/zinc/99/27/11/342992711.db2.gz QWDFWEOBQLOYMO-GRYCIOLGSA-N 1 1 249.358 3.122 20 30 BGEDMO C=CCCc1noc([C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000297378593 384630514 /nfs/dbraw/zinc/63/05/14/384630514.db2.gz QWDFWEOBQLOYMO-TUAOUCFPSA-N 1 1 249.358 3.122 20 30 BGEDMO C=CCC[C@H](CC)[NH2+]Cc1ccc2cncn2c1 ZINC000297473272 343070052 /nfs/dbraw/zinc/07/00/52/343070052.db2.gz JASYOTVLIZLQQH-AWEZNQCLSA-N 1 1 243.354 3.169 20 30 BGEDMO C=CCC[C@@H](CC)[NH2+]Cc1ccc2cncn2c1 ZINC000297473276 136208587 /nfs/dbraw/zinc/20/85/87/136208587.db2.gz JASYOTVLIZLQQH-CQSZACIVSA-N 1 1 243.354 3.169 20 30 BGEDMO C=C1CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000297504400 384834954 /nfs/dbraw/zinc/83/49/54/384834954.db2.gz NHNXYDNHEFQXGP-UHFFFAOYSA-N 1 1 229.323 3.041 20 30 BGEDMO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2cncn2c1 ZINC000297537874 384834702 /nfs/dbraw/zinc/83/47/02/384834702.db2.gz ONTFUROFYIWYLT-CHWSQXEVSA-N 1 1 243.354 3.025 20 30 BGEDMO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc2cncn2c1 ZINC000297537877 384834210 /nfs/dbraw/zinc/83/42/10/384834210.db2.gz ONTFUROFYIWYLT-OLZOCXBDSA-N 1 1 243.354 3.025 20 30 BGEDMO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc2cncn2c1 ZINC000297537880 133453887 /nfs/dbraw/zinc/45/38/87/133453887.db2.gz ONTFUROFYIWYLT-QWHCGFSZSA-N 1 1 243.354 3.025 20 30 BGEDMO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc2cncn2c1 ZINC000297537883 384832767 /nfs/dbraw/zinc/83/27/67/384832767.db2.gz ONTFUROFYIWYLT-STQMWFEESA-N 1 1 243.354 3.025 20 30 BGEDMO C=CC[C@@H]1[N@H+](CCc2cn[nH]c2)CCCC1(C)C ZINC000297583899 384859191 /nfs/dbraw/zinc/85/91/91/384859191.db2.gz IQNVHWHYWBZBBT-AWEZNQCLSA-N 1 1 247.386 3.019 20 30 BGEDMO C=CC[C@H]1[N@H+](CCc2cn[nH]c2)CCCC1(C)C ZINC000297583902 384858513 /nfs/dbraw/zinc/85/85/13/384858513.db2.gz IQNVHWHYWBZBBT-CQSZACIVSA-N 1 1 247.386 3.019 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(O)c(OCC)c1 ZINC000297618361 384858067 /nfs/dbraw/zinc/85/80/67/384858067.db2.gz HBQVNRGGMRNIDN-UHFFFAOYSA-N 1 1 249.354 3.189 20 30 BGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)CCC#N ZINC000297739064 135196725 /nfs/dbraw/zinc/19/67/25/135196725.db2.gz CLBBTIJIEUPJAB-HNNXBMFYSA-N 1 1 242.366 3.409 20 30 BGEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)CCC#N ZINC000297739067 135196314 /nfs/dbraw/zinc/19/63/14/135196314.db2.gz CLBBTIJIEUPJAB-OAHLLOKOSA-N 1 1 242.366 3.409 20 30 BGEDMO CC[N@@H+](CCC#N)CCc1cccc(Cl)c1 ZINC000297751279 135196571 /nfs/dbraw/zinc/19/65/71/135196571.db2.gz LBDVVFDLCNWDFI-UHFFFAOYSA-N 1 1 236.746 3.118 20 30 BGEDMO CC[N@H+](CCC#N)CCc1cccc(Cl)c1 ZINC000297751279 135196570 /nfs/dbraw/zinc/19/65/70/135196570.db2.gz LBDVVFDLCNWDFI-UHFFFAOYSA-N 1 1 236.746 3.118 20 30 BGEDMO C=CC[N@@H+](CCc1cn[nH]c1)CC1CCCCC1 ZINC000297757709 384905904 /nfs/dbraw/zinc/90/59/04/384905904.db2.gz LMYZFAQPBDXRMM-UHFFFAOYSA-N 1 1 247.386 3.021 20 30 BGEDMO C=CC[NH+](CC=C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000297766204 384919128 /nfs/dbraw/zinc/91/91/28/384919128.db2.gz FTRSDBDHNWWNCY-GFCCVEGCSA-N 1 1 246.310 3.330 20 30 BGEDMO C=CC[NH+](CC=C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000297766207 135196763 /nfs/dbraw/zinc/19/67/63/135196763.db2.gz FTRSDBDHNWWNCY-LBPRGKRZSA-N 1 1 246.310 3.330 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)CCC#N ZINC000297795577 135197086 /nfs/dbraw/zinc/19/70/86/135197086.db2.gz HPOQIAWXDCOTHT-AWEZNQCLSA-N 1 1 228.339 3.367 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)CCC#N ZINC000297795582 135197097 /nfs/dbraw/zinc/19/70/97/135197097.db2.gz HPOQIAWXDCOTHT-CQSZACIVSA-N 1 1 228.339 3.367 20 30 BGEDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)CCC#N ZINC000297841724 135197139 /nfs/dbraw/zinc/19/71/39/135197139.db2.gz KPKKGXXJMPIMBC-CYBMUJFWSA-N 1 1 246.354 3.209 20 30 BGEDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)CCC#N ZINC000297841726 135197118 /nfs/dbraw/zinc/19/71/18/135197118.db2.gz KPKKGXXJMPIMBC-ZDUSSCGKSA-N 1 1 246.354 3.209 20 30 BGEDMO Cc1ccccc1C[N@H+](C)[C@H](C)CCC#N ZINC000297852689 136290995 /nfs/dbraw/zinc/29/09/95/136290995.db2.gz LKMIJYMSPDDWDK-CYBMUJFWSA-N 1 1 216.328 3.119 20 30 BGEDMO Cc1ccccc1C[N@H+](C)[C@@H](C)CCC#N ZINC000297852692 136291034 /nfs/dbraw/zinc/29/10/34/136291034.db2.gz LKMIJYMSPDDWDK-ZDUSSCGKSA-N 1 1 216.328 3.119 20 30 BGEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc(F)cc1F ZINC000297919636 136291259 /nfs/dbraw/zinc/29/12/59/136291259.db2.gz QGJHHDCVYZVHFK-JTQLQIEISA-N 1 1 238.281 3.089 20 30 BGEDMO C[C@@H](CCC#N)[N@H+](C)Cc1ccc(F)cc1F ZINC000297919636 136291258 /nfs/dbraw/zinc/29/12/58/136291258.db2.gz QGJHHDCVYZVHFK-JTQLQIEISA-N 1 1 238.281 3.089 20 30 BGEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccc(F)cc1F ZINC000297919638 136291300 /nfs/dbraw/zinc/29/13/00/136291300.db2.gz QGJHHDCVYZVHFK-SNVBAGLBSA-N 1 1 238.281 3.089 20 30 BGEDMO C[C@H](CCC#N)[N@H+](C)Cc1ccc(F)cc1F ZINC000297919638 136291299 /nfs/dbraw/zinc/29/12/99/136291299.db2.gz QGJHHDCVYZVHFK-SNVBAGLBSA-N 1 1 238.281 3.089 20 30 BGEDMO C[C@@H](CCC#N)[N@@H+](C)CCCc1ccccc1 ZINC000297959400 386290723 /nfs/dbraw/zinc/29/07/23/386290723.db2.gz UIFIBDLTGCEVQY-AWEZNQCLSA-N 1 1 230.355 3.243 20 30 BGEDMO C[C@H](CCC#N)[N@@H+](C)CCCc1ccccc1 ZINC000297959402 136291433 /nfs/dbraw/zinc/29/14/33/136291433.db2.gz UIFIBDLTGCEVQY-CQSZACIVSA-N 1 1 230.355 3.243 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000297966334 135197542 /nfs/dbraw/zinc/19/75/42/135197542.db2.gz UXHRAEZBBUHDLX-CVEARBPZSA-N 1 1 240.350 3.367 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000297966338 135197483 /nfs/dbraw/zinc/19/74/83/135197483.db2.gz UXHRAEZBBUHDLX-HOTGVXAUSA-N 1 1 240.350 3.367 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000297966342 135197941 /nfs/dbraw/zinc/19/79/41/135197941.db2.gz UXHRAEZBBUHDLX-HZPDHXFCSA-N 1 1 240.350 3.367 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000297966345 135197471 /nfs/dbraw/zinc/19/74/71/135197471.db2.gz UXHRAEZBBUHDLX-JKSUJKDBSA-N 1 1 240.350 3.367 20 30 BGEDMO C[C@@H](C[N@H+](C)[C@@H](C)CCC#N)c1ccccc1 ZINC000298020868 135197462 /nfs/dbraw/zinc/19/74/62/135197462.db2.gz DGWKDOJGSXSYKC-KBPBESRZSA-N 1 1 230.355 3.414 20 30 BGEDMO C[C@H](C[N@H+](C)[C@@H](C)CCC#N)c1ccccc1 ZINC000298020869 135197635 /nfs/dbraw/zinc/19/76/35/135197635.db2.gz DGWKDOJGSXSYKC-KGLIPLIRSA-N 1 1 230.355 3.414 20 30 BGEDMO C[C@@H](C[N@H+](C)[C@H](C)CCC#N)c1ccccc1 ZINC000298020871 135197663 /nfs/dbraw/zinc/19/76/63/135197663.db2.gz DGWKDOJGSXSYKC-UONOGXRCSA-N 1 1 230.355 3.414 20 30 BGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)CCC#N ZINC000298021164 135197995 /nfs/dbraw/zinc/19/79/95/135197995.db2.gz AHYGKFWTDFWAOJ-CYBMUJFWSA-N 1 1 232.327 3.002 20 30 BGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)CCC#N ZINC000298021167 135197389 /nfs/dbraw/zinc/19/73/89/135197389.db2.gz AHYGKFWTDFWAOJ-ZDUSSCGKSA-N 1 1 232.327 3.002 20 30 BGEDMO C[C@H](CCC#N)[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000298022162 135197737 /nfs/dbraw/zinc/19/77/37/135197737.db2.gz DGWKDOJGSXSYKC-ZIAGYGMSSA-N 1 1 230.355 3.414 20 30 BGEDMO C[C@@H]([NH2+]CCC#N)c1cccc(C2CC2)c1 ZINC000298027232 135197653 /nfs/dbraw/zinc/19/76/53/135197653.db2.gz BSOZSMKCVUOBMW-LLVKDONJSA-N 1 1 214.312 3.128 20 30 BGEDMO C[C@H]([NH2+]CCC#N)c1cccc(C2CC2)c1 ZINC000298027233 135197922 /nfs/dbraw/zinc/19/79/22/135197922.db2.gz BSOZSMKCVUOBMW-NSHDSACASA-N 1 1 214.312 3.128 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000298056473 135198068 /nfs/dbraw/zinc/19/80/68/135198068.db2.gz IJLROEISQYNXTE-GXTWGEPZSA-N 1 1 246.329 3.307 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000298056475 135197369 /nfs/dbraw/zinc/19/73/69/135197369.db2.gz IJLROEISQYNXTE-JSGCOSHPSA-N 1 1 246.329 3.307 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000298056477 135197917 /nfs/dbraw/zinc/19/79/17/135197917.db2.gz IJLROEISQYNXTE-OCCSQVGLSA-N 1 1 246.329 3.307 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000298056480 135197450 /nfs/dbraw/zinc/19/74/50/135197450.db2.gz IJLROEISQYNXTE-TZMCWYRMSA-N 1 1 246.329 3.307 20 30 BGEDMO Cc1cccc(C[N@H+](C)[C@H](C)CCC#N)c1C ZINC000298099727 135197858 /nfs/dbraw/zinc/19/78/58/135197858.db2.gz ITGMHPVLMIKKTB-CYBMUJFWSA-N 1 1 230.355 3.428 20 30 BGEDMO Cc1cccc(C[N@H+](C)[C@@H](C)CCC#N)c1C ZINC000298099733 135197404 /nfs/dbraw/zinc/19/74/04/135197404.db2.gz ITGMHPVLMIKKTB-ZDUSSCGKSA-N 1 1 230.355 3.428 20 30 BGEDMO Cc1cccc(C[N@@H+](C)CCCCC#N)c1C ZINC000298209022 135198290 /nfs/dbraw/zinc/19/82/90/135198290.db2.gz DIFCWHNVMKAWLA-UHFFFAOYSA-N 1 1 230.355 3.429 20 30 BGEDMO Cc1cccc(C[N@@H+](C)CCCC#N)c1C ZINC000298244676 135198235 /nfs/dbraw/zinc/19/82/35/135198235.db2.gz JMBVQRXWNRSXBG-UHFFFAOYSA-N 1 1 216.328 3.039 20 30 BGEDMO Cc1cc(F)ccc1C1CC[NH+](CCC#N)CC1 ZINC000298271755 135198373 /nfs/dbraw/zinc/19/83/73/135198373.db2.gz NVOVGEKVFOVKQT-UHFFFAOYSA-N 1 1 246.329 3.227 20 30 BGEDMO Cc1ccc(C[N@H+](C)[C@@H](C)CCC#N)s1 ZINC000298287550 352498387 /nfs/dbraw/zinc/49/83/87/352498387.db2.gz XLVGNXOUTHVNMC-JTQLQIEISA-N 1 1 222.357 3.181 20 30 BGEDMO Cc1ccc(C[N@H+](C)[C@H](C)CCC#N)s1 ZINC000298287556 352498520 /nfs/dbraw/zinc/49/85/20/352498520.db2.gz XLVGNXOUTHVNMC-SNVBAGLBSA-N 1 1 222.357 3.181 20 30 BGEDMO Cc1cccc(C[N@H+](C)[C@H](C)CCC#N)c1 ZINC000298302164 352498815 /nfs/dbraw/zinc/49/88/15/352498815.db2.gz YDTZPSAWNYEUCH-CYBMUJFWSA-N 1 1 216.328 3.119 20 30 BGEDMO Cc1cccc(C[N@H+](C)[C@@H](C)CCC#N)c1 ZINC000298302167 352498357 /nfs/dbraw/zinc/49/83/57/352498357.db2.gz YDTZPSAWNYEUCH-ZDUSSCGKSA-N 1 1 216.328 3.119 20 30 BGEDMO C[C@@H](CCC#N)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000298346520 352500419 /nfs/dbraw/zinc/50/04/19/352500419.db2.gz BSHCBUBVGWFHII-AWEZNQCLSA-N 1 1 242.366 3.342 20 30 BGEDMO C[C@H](CCC#N)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000298346526 386327396 /nfs/dbraw/zinc/32/73/96/386327396.db2.gz BSHCBUBVGWFHII-CQSZACIVSA-N 1 1 242.366 3.342 20 30 BGEDMO N#CCC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000298360703 136291374 /nfs/dbraw/zinc/29/13/74/136291374.db2.gz FXWKWZUENYPQEV-AWEZNQCLSA-N 1 1 232.302 3.170 20 30 BGEDMO N#CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000298360707 352500756 /nfs/dbraw/zinc/50/07/56/352500756.db2.gz FXWKWZUENYPQEV-CQSZACIVSA-N 1 1 232.302 3.170 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000298377344 135198660 /nfs/dbraw/zinc/19/86/60/135198660.db2.gz DDSMUICDFIZZGG-LLVKDONJSA-N 1 1 248.757 3.390 20 30 BGEDMO C[C@H](CCC#N)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000298377344 135198659 /nfs/dbraw/zinc/19/86/59/135198659.db2.gz DDSMUICDFIZZGG-LLVKDONJSA-N 1 1 248.757 3.390 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000298377349 135199214 /nfs/dbraw/zinc/19/92/14/135199214.db2.gz DDSMUICDFIZZGG-NSHDSACASA-N 1 1 248.757 3.390 20 30 BGEDMO C[C@@H](CCC#N)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000298377349 135199213 /nfs/dbraw/zinc/19/92/13/135199213.db2.gz DDSMUICDFIZZGG-NSHDSACASA-N 1 1 248.757 3.390 20 30 BGEDMO Cc1ccccc1CC[N@H+](C)[C@@H](C)CCC#N ZINC000298471570 135199281 /nfs/dbraw/zinc/19/92/81/135199281.db2.gz SITDDRNTHTZNSW-AWEZNQCLSA-N 1 1 230.355 3.162 20 30 BGEDMO Cc1ccccc1CC[N@H+](C)[C@H](C)CCC#N ZINC000298471573 135198900 /nfs/dbraw/zinc/19/89/00/135198900.db2.gz SITDDRNTHTZNSW-CQSZACIVSA-N 1 1 230.355 3.162 20 30 BGEDMO CC(C)([NH2+]CCC#N)c1ccc(Cl)cc1 ZINC000298601293 135199708 /nfs/dbraw/zinc/19/97/08/135199708.db2.gz LFVDWYCOVUZNNZ-UHFFFAOYSA-N 1 1 222.719 3.078 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CCC=C(c2ccccc2)C1 ZINC000298605742 135199537 /nfs/dbraw/zinc/19/95/37/135199537.db2.gz STMRUPZYSRZVKE-AWEZNQCLSA-N 1 1 240.350 3.468 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CCC=C(c2ccccc2)C1 ZINC000298605745 135199747 /nfs/dbraw/zinc/19/97/47/135199747.db2.gz STMRUPZYSRZVKE-CQSZACIVSA-N 1 1 240.350 3.468 20 30 BGEDMO CC(C)(C)[C@H]([NH2+]CCC#N)c1ccc(F)cc1 ZINC000298605983 135199779 /nfs/dbraw/zinc/19/97/79/135199779.db2.gz LSQXNLKRBXMRRS-CYBMUJFWSA-N 1 1 234.318 3.416 20 30 BGEDMO CC(C)(C)[C@@H]([NH2+]CCC#N)c1ccc(F)cc1 ZINC000298605985 535056407 /nfs/dbraw/zinc/05/64/07/535056407.db2.gz LSQXNLKRBXMRRS-ZDUSSCGKSA-N 1 1 234.318 3.416 20 30 BGEDMO Cc1cccc2c1C[N@@H+]([C@H](C)CCC#N)CC2 ZINC000298621255 135199957 /nfs/dbraw/zinc/19/99/57/135199957.db2.gz UUVAFSFPYBMCRH-CYBMUJFWSA-N 1 1 228.339 3.045 20 30 BGEDMO Cc1cccc2c1C[N@@H+]([C@@H](C)CCC#N)CC2 ZINC000298621257 135199568 /nfs/dbraw/zinc/19/95/68/135199568.db2.gz UUVAFSFPYBMCRH-ZDUSSCGKSA-N 1 1 228.339 3.045 20 30 BGEDMO N#CCC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000298624939 135199904 /nfs/dbraw/zinc/19/99/04/135199904.db2.gz NTHBEMXONXFGQD-UHFFFAOYSA-N 1 1 234.730 3.222 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000298626219 383969016 /nfs/dbraw/zinc/96/90/16/383969016.db2.gz NWSGSPNXJLOOML-GFCCVEGCSA-N 1 1 238.762 3.429 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](c1ncccc1C)C(C)C ZINC000298626228 383963583 /nfs/dbraw/zinc/96/35/83/383963583.db2.gz NWSGSPNXJLOOML-LBPRGKRZSA-N 1 1 238.762 3.429 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CCC=C(c2ccco2)C1 ZINC000298630740 135199633 /nfs/dbraw/zinc/19/96/33/135199633.db2.gz VWZDZTWUBZDODD-GFCCVEGCSA-N 1 1 230.311 3.061 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CCC=C(c2ccco2)C1 ZINC000298630742 135199908 /nfs/dbraw/zinc/19/99/08/135199908.db2.gz VWZDZTWUBZDODD-LBPRGKRZSA-N 1 1 230.311 3.061 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000298655874 135200144 /nfs/dbraw/zinc/20/01/44/135200144.db2.gz QQFGFEGZDRUSQQ-GXTWGEPZSA-N 1 1 246.329 3.307 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000298655885 135200541 /nfs/dbraw/zinc/20/05/41/135200541.db2.gz QQFGFEGZDRUSQQ-JSGCOSHPSA-N 1 1 246.329 3.307 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000298655898 135200517 /nfs/dbraw/zinc/20/05/17/135200517.db2.gz QQFGFEGZDRUSQQ-OCCSQVGLSA-N 1 1 246.329 3.307 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000298655910 135200186 /nfs/dbraw/zinc/20/01/86/135200186.db2.gz QQFGFEGZDRUSQQ-TZMCWYRMSA-N 1 1 246.329 3.307 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000298661127 135200360 /nfs/dbraw/zinc/20/03/60/135200360.db2.gz FFBSQSLLAATWMM-DOMZBBRYSA-N 1 1 228.339 3.155 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000298661129 135200419 /nfs/dbraw/zinc/20/04/19/135200419.db2.gz FFBSQSLLAATWMM-WFASDCNBSA-N 1 1 228.339 3.155 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000298675878 135200201 /nfs/dbraw/zinc/20/02/01/135200201.db2.gz LQCKWWLERXFIGB-CYBMUJFWSA-N 1 1 238.334 3.431 20 30 BGEDMO C[C@H](C#N)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000298675878 135200199 /nfs/dbraw/zinc/20/01/99/135200199.db2.gz LQCKWWLERXFIGB-CYBMUJFWSA-N 1 1 238.334 3.431 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000298675882 135200312 /nfs/dbraw/zinc/20/03/12/135200312.db2.gz LQCKWWLERXFIGB-ZDUSSCGKSA-N 1 1 238.334 3.431 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000298675882 135200311 /nfs/dbraw/zinc/20/03/11/135200311.db2.gz LQCKWWLERXFIGB-ZDUSSCGKSA-N 1 1 238.334 3.431 20 30 BGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000298680475 135200070 /nfs/dbraw/zinc/20/00/70/135200070.db2.gz YYDZZRIAUSZEMS-CYBMUJFWSA-N 1 1 236.746 3.014 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000298680475 135200069 /nfs/dbraw/zinc/20/00/69/135200069.db2.gz YYDZZRIAUSZEMS-CYBMUJFWSA-N 1 1 236.746 3.014 20 30 BGEDMO C=C(Cl)C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000298680480 534438113 /nfs/dbraw/zinc/43/81/13/534438113.db2.gz YYDZZRIAUSZEMS-ZDUSSCGKSA-N 1 1 236.746 3.014 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000298680480 534438108 /nfs/dbraw/zinc/43/81/08/534438108.db2.gz YYDZZRIAUSZEMS-ZDUSSCGKSA-N 1 1 236.746 3.014 20 30 BGEDMO C=C(Cl)C[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000298709824 383986771 /nfs/dbraw/zinc/98/67/71/383986771.db2.gz ATPVIWCEZFKYCN-UHFFFAOYSA-N 1 1 237.730 3.026 20 30 BGEDMO COc1ccccc1[C@H](CC(C)C)[NH2+]CCC#N ZINC000298805779 537107950 /nfs/dbraw/zinc/10/79/50/537107950.db2.gz FCSTVTWAUBJBJC-AWEZNQCLSA-N 1 1 246.354 3.286 20 30 BGEDMO COc1ccccc1[C@@H](CC(C)C)[NH2+]CCC#N ZINC000298805783 136291661 /nfs/dbraw/zinc/29/16/61/136291661.db2.gz FCSTVTWAUBJBJC-CQSZACIVSA-N 1 1 246.354 3.286 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CCCc2ccccc2C1 ZINC000298811535 135201401 /nfs/dbraw/zinc/20/14/01/135201401.db2.gz AIAYYXBSSGCLRT-CYBMUJFWSA-N 1 1 228.339 3.127 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CCCc2ccccc2C1 ZINC000298811549 135200943 /nfs/dbraw/zinc/20/09/43/135200943.db2.gz AIAYYXBSSGCLRT-ZDUSSCGKSA-N 1 1 228.339 3.127 20 30 BGEDMO CC(C)([NH2+]CCC#N)c1cccc(Cl)c1 ZINC000298819112 135200894 /nfs/dbraw/zinc/20/08/94/135200894.db2.gz FXLCFHMBLCLDMW-UHFFFAOYSA-N 1 1 222.719 3.078 20 30 BGEDMO CC(C)(C)[C@H]([NH2+]CCC#N)c1cccc(F)c1 ZINC000298829623 135201043 /nfs/dbraw/zinc/20/10/43/135201043.db2.gz GYHYWPNYBZFCNF-CYBMUJFWSA-N 1 1 234.318 3.416 20 30 BGEDMO CC(C)(C)[C@@H]([NH2+]CCC#N)c1cccc(F)c1 ZINC000298829624 535056318 /nfs/dbraw/zinc/05/63/18/535056318.db2.gz GYHYWPNYBZFCNF-ZDUSSCGKSA-N 1 1 234.318 3.416 20 30 BGEDMO Cc1ccc([C@@H](C)[N@@H+](C)CCC#N)c(C)c1 ZINC000298859109 135201124 /nfs/dbraw/zinc/20/11/24/135201124.db2.gz QPDVCTGYXLCHCQ-CYBMUJFWSA-N 1 1 216.328 3.210 20 30 BGEDMO Cc1ccc([C@@H](C)[N@H+](C)CCC#N)c(C)c1 ZINC000298859109 135201123 /nfs/dbraw/zinc/20/11/23/135201123.db2.gz QPDVCTGYXLCHCQ-CYBMUJFWSA-N 1 1 216.328 3.210 20 30 BGEDMO Cc1ccc([C@H](C)[N@@H+](C)CCC#N)c(C)c1 ZINC000298859112 135201393 /nfs/dbraw/zinc/20/13/93/135201393.db2.gz QPDVCTGYXLCHCQ-ZDUSSCGKSA-N 1 1 216.328 3.210 20 30 BGEDMO Cc1ccc([C@H](C)[N@H+](C)CCC#N)c(C)c1 ZINC000298859112 135201391 /nfs/dbraw/zinc/20/13/91/135201391.db2.gz QPDVCTGYXLCHCQ-ZDUSSCGKSA-N 1 1 216.328 3.210 20 30 BGEDMO C=C(Cl)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000298882659 384078440 /nfs/dbraw/zinc/07/84/40/384078440.db2.gz KJGWJDMGIBXORJ-UHFFFAOYSA-N 1 1 225.694 3.157 20 30 BGEDMO CC[C@@H]([NH2+]CCC#N)c1ccc(Cl)s1 ZINC000298961093 535803158 /nfs/dbraw/zinc/80/31/58/535803158.db2.gz OUCBFZOBLLPKLO-MRVPVSSYSA-N 1 1 228.748 3.356 20 30 BGEDMO CC[C@H]([NH2+]CCC#N)c1ccc(Cl)s1 ZINC000298961097 135201549 /nfs/dbraw/zinc/20/15/49/135201549.db2.gz OUCBFZOBLLPKLO-QMMMGPOBSA-N 1 1 228.748 3.356 20 30 BGEDMO Cc1cc([C@@H]([NH2+]CCC#N)C2CC2)ccc1F ZINC000299007954 135201497 /nfs/dbraw/zinc/20/14/97/135201497.db2.gz QQVVDWBOPFLWQJ-AWEZNQCLSA-N 1 1 232.302 3.089 20 30 BGEDMO Cc1cc([C@H]([NH2+]CCC#N)C2CC2)ccc1F ZINC000299007957 135201574 /nfs/dbraw/zinc/20/15/74/135201574.db2.gz QQVVDWBOPFLWQJ-CQSZACIVSA-N 1 1 232.302 3.089 20 30 BGEDMO C=CC[N@@H+](CCc1ccco1)[C@H]1CC[C@H](C#N)C1 ZINC000299057753 135201232 /nfs/dbraw/zinc/20/12/32/135201232.db2.gz SKSXGWHLYDCHCD-KBPBESRZSA-N 1 1 244.338 3.002 20 30 BGEDMO C=CC[N@@H+](CCc1ccco1)[C@H]1CC[C@@H](C#N)C1 ZINC000299057754 135201015 /nfs/dbraw/zinc/20/10/15/135201015.db2.gz SKSXGWHLYDCHCD-KGLIPLIRSA-N 1 1 244.338 3.002 20 30 BGEDMO C=CC[N@@H+](CCc1ccco1)[C@@H]1CC[C@H](C#N)C1 ZINC000299057756 135200748 /nfs/dbraw/zinc/20/07/48/135200748.db2.gz SKSXGWHLYDCHCD-UONOGXRCSA-N 1 1 244.338 3.002 20 30 BGEDMO C=CC[N@@H+](CCc1ccco1)[C@@H]1CC[C@@H](C#N)C1 ZINC000299057758 135201412 /nfs/dbraw/zinc/20/14/12/135201412.db2.gz SKSXGWHLYDCHCD-ZIAGYGMSSA-N 1 1 244.338 3.002 20 30 BGEDMO CCCC[C@H]([NH2+]CCC#N)c1ccc(OC)cc1 ZINC000299079301 135202390 /nfs/dbraw/zinc/20/23/90/135202390.db2.gz UBDPUVYNQVVXTD-HNNXBMFYSA-N 1 1 246.354 3.430 20 30 BGEDMO CCCC[C@@H]([NH2+]CCC#N)c1ccc(OC)cc1 ZINC000299079305 135202357 /nfs/dbraw/zinc/20/23/57/135202357.db2.gz UBDPUVYNQVVXTD-OAHLLOKOSA-N 1 1 246.354 3.430 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000299189429 135202176 /nfs/dbraw/zinc/20/21/76/135202176.db2.gz CSFBYZXMHCHWEA-GDBMZVCRSA-N 1 1 242.366 3.243 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000299189432 135202191 /nfs/dbraw/zinc/20/21/91/135202191.db2.gz CSFBYZXMHCHWEA-GOEBONIOSA-N 1 1 242.366 3.243 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000299189433 135201973 /nfs/dbraw/zinc/20/19/73/135201973.db2.gz CSFBYZXMHCHWEA-HOCLYGCPSA-N 1 1 242.366 3.243 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000299189436 135202344 /nfs/dbraw/zinc/20/23/44/135202344.db2.gz CSFBYZXMHCHWEA-ZBFHGGJFSA-N 1 1 242.366 3.243 20 30 BGEDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)CCC#N ZINC000299192043 135202338 /nfs/dbraw/zinc/20/23/38/135202338.db2.gz DGRHMRGGKKVQAU-CYBMUJFWSA-N 1 1 246.354 3.296 20 30 BGEDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)CCC#N ZINC000299192046 135202215 /nfs/dbraw/zinc/20/22/15/135202215.db2.gz DGRHMRGGKKVQAU-ZDUSSCGKSA-N 1 1 246.354 3.296 20 30 BGEDMO C#CCC[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000299210832 343398483 /nfs/dbraw/zinc/39/84/83/343398483.db2.gz CKTVWDRLIKFPMF-LLVKDONJSA-N 1 1 244.363 3.312 20 30 BGEDMO C#CCC[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000299210834 533042202 /nfs/dbraw/zinc/04/22/02/533042202.db2.gz CKTVWDRLIKFPMF-NSHDSACASA-N 1 1 244.363 3.312 20 30 BGEDMO C#CCC[N@H+]1CCc2sccc2[C@H]1CC ZINC000299216549 343398417 /nfs/dbraw/zinc/39/84/17/343398417.db2.gz HULJTVIEJIERQM-GFCCVEGCSA-N 1 1 219.353 3.081 20 30 BGEDMO C#CCC[N@H+]1CCc2sccc2[C@@H]1CC ZINC000299216554 343398349 /nfs/dbraw/zinc/39/83/49/343398349.db2.gz HULJTVIEJIERQM-LBPRGKRZSA-N 1 1 219.353 3.081 20 30 BGEDMO C#CCC[N@H+](CC)Cc1ccc(Cl)s1 ZINC000299235386 343398588 /nfs/dbraw/zinc/39/85/88/343398588.db2.gz RXFRYIBYCMMMRA-UHFFFAOYSA-N 1 1 227.760 3.247 20 30 BGEDMO Cc1cc(C)c2c(c1)C[N@@H+]([C@@H](C)CCC#N)CC2 ZINC000299289912 136291695 /nfs/dbraw/zinc/29/16/95/136291695.db2.gz MHRLXLHDDPITPP-AWEZNQCLSA-N 1 1 242.366 3.354 20 30 BGEDMO Cc1cc(C)c2c(c1)C[N@@H+]([C@H](C)CCC#N)CC2 ZINC000299289913 136291727 /nfs/dbraw/zinc/29/17/27/136291727.db2.gz MHRLXLHDDPITPP-CQSZACIVSA-N 1 1 242.366 3.354 20 30 BGEDMO CC(C)[N@@H+](CCCC#N)Cc1ccc(F)cc1 ZINC000299339974 535051916 /nfs/dbraw/zinc/05/19/16/535051916.db2.gz DRXBUCKYRLSFRL-UHFFFAOYSA-N 1 1 234.318 3.340 20 30 BGEDMO CC[N@@H+](CCCC#N)Cc1ccc(Cl)cc1 ZINC000299340089 135203069 /nfs/dbraw/zinc/20/30/69/135203069.db2.gz DUSYIKDVTXNBDZ-UHFFFAOYSA-N 1 1 236.746 3.466 20 30 BGEDMO CCC[N@@H+](CCC#N)[C@H]1CCc2ccccc21 ZINC000299351228 135203342 /nfs/dbraw/zinc/20/33/42/135203342.db2.gz BUPZEHDWPOZYLW-HNNXBMFYSA-N 1 1 228.339 3.300 20 30 BGEDMO CCC[N@@H+](CCC#N)[C@@H]1CCc2ccccc21 ZINC000299351235 135203219 /nfs/dbraw/zinc/20/32/19/135203219.db2.gz BUPZEHDWPOZYLW-OAHLLOKOSA-N 1 1 228.339 3.300 20 30 BGEDMO CC[N@@H+](CCC#N)[C@H](C)c1ccccc1C ZINC000299369491 135203181 /nfs/dbraw/zinc/20/31/81/135203181.db2.gz DYSASJUOQUEQLI-CYBMUJFWSA-N 1 1 216.328 3.292 20 30 BGEDMO CC[N@H+](CCC#N)[C@H](C)c1ccccc1C ZINC000299369491 135203180 /nfs/dbraw/zinc/20/31/80/135203180.db2.gz DYSASJUOQUEQLI-CYBMUJFWSA-N 1 1 216.328 3.292 20 30 BGEDMO CC[N@@H+](CCC#N)[C@@H](C)c1ccccc1C ZINC000299369492 135203340 /nfs/dbraw/zinc/20/33/40/135203340.db2.gz DYSASJUOQUEQLI-ZDUSSCGKSA-N 1 1 216.328 3.292 20 30 BGEDMO CC[N@H+](CCC#N)[C@@H](C)c1ccccc1C ZINC000299369492 135203339 /nfs/dbraw/zinc/20/33/39/135203339.db2.gz DYSASJUOQUEQLI-ZDUSSCGKSA-N 1 1 216.328 3.292 20 30 BGEDMO CC(C)C[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000299388920 388613904 /nfs/dbraw/zinc/61/39/04/388613904.db2.gz QRBWTUYJEQEZJT-GFCCVEGCSA-N 1 1 216.328 3.207 20 30 BGEDMO 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ZINC000306583478 643188641 /nfs/dbraw/zinc/18/86/41/643188641.db2.gz RAFMXNRNAFXRCT-CQSZACIVSA-N 1 1 227.351 3.310 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CC ZINC000306592102 643189477 /nfs/dbraw/zinc/18/94/77/643189477.db2.gz QUVMMFPARLBVND-LLVKDONJSA-N 1 1 201.741 3.394 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CC ZINC000306592103 635971968 /nfs/dbraw/zinc/97/19/68/635971968.db2.gz QUVMMFPARLBVND-NSHDSACASA-N 1 1 201.741 3.394 20 30 BGEDMO C=C(Cl)C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000306675707 350827728 /nfs/dbraw/zinc/82/77/28/350827728.db2.gz UBZWGUHRPBPKEZ-SECBINFHSA-N 1 1 201.741 3.107 20 30 BGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000306675708 350827589 /nfs/dbraw/zinc/82/75/89/350827589.db2.gz UBZWGUHRPBPKEZ-VIFPVBQESA-N 1 1 201.741 3.107 20 30 BGEDMO C#C[C@@H](C)[NH2+]Cc1csc(Cl)c1Cl ZINC000306748390 711504659 /nfs/dbraw/zinc/50/46/59/711504659.db2.gz FHMHDTDWQSSYKM-ZCFIWIBFSA-N 1 1 234.151 3.166 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCCC(C)(C)CC1 ZINC000306766191 642343359 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1 246.192 3.263 20 30 BGEDMO C=C(Br)C[N@H+](C)C1CC(C)(C)C1 ZINC000307587716 642409944 /nfs/dbraw/zinc/40/99/44/642409944.db2.gz VCEQCWCXTAMHFO-UHFFFAOYSA-N 1 1 232.165 3.015 20 30 BGEDMO C=C(Br)C[N@@H+](C)C1CC(C)(C)C1 ZINC000307587716 642409935 /nfs/dbraw/zinc/40/99/35/642409935.db2.gz VCEQCWCXTAMHFO-UHFFFAOYSA-N 1 1 232.165 3.015 20 30 BGEDMO C=C(C)CCNc1cc[nH+]cc1Br ZINC000307613437 384079384 /nfs/dbraw/zinc/07/93/84/384079384.db2.gz LVVRWAQYVBULJA-UHFFFAOYSA-N 1 1 241.132 3.222 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000307653566 642419165 /nfs/dbraw/zinc/41/91/65/642419165.db2.gz URHVCQUINBNZKV-LLVKDONJSA-N 1 1 201.741 3.107 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000307653568 642418149 /nfs/dbraw/zinc/41/81/49/642418149.db2.gz URHVCQUINBNZKV-NSHDSACASA-N 1 1 201.741 3.107 20 30 BGEDMO C=C(Br)C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000307675949 643567230 /nfs/dbraw/zinc/56/72/30/643567230.db2.gz DWWHEMZFOIGNPP-JTQLQIEISA-N 1 1 246.192 3.406 20 30 BGEDMO C=C(Br)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000307675950 642435056 /nfs/dbraw/zinc/43/50/56/642435056.db2.gz DWWHEMZFOIGNPP-SNVBAGLBSA-N 1 1 246.192 3.406 20 30 BGEDMO C=C(Br)C[N@@H+]1[C@H](C)CC[C@H]1CC ZINC000307728933 636338164 /nfs/dbraw/zinc/33/81/64/636338164.db2.gz FRGXLGSMWOTDEE-NXEZZACHSA-N 1 1 232.165 3.158 20 30 BGEDMO C=C(Br)C[N@@H+]1[C@@H](C)CC[C@@H]1CC ZINC000307729210 642451044 /nfs/dbraw/zinc/45/10/44/642451044.db2.gz FRGXLGSMWOTDEE-UWVGGRQHSA-N 1 1 232.165 3.158 20 30 BGEDMO C=C(Br)C[N@H+]1[C@H](CC)CC[C@@H]1C ZINC000307729213 643614085 /nfs/dbraw/zinc/61/40/85/643614085.db2.gz FRGXLGSMWOTDEE-VHSXEESVSA-N 1 1 232.165 3.158 20 30 BGEDMO C=C(Br)C[N@@H+]1[C@H](C)CC[C@@H]1CC ZINC000307729215 643614886 /nfs/dbraw/zinc/61/48/86/643614886.db2.gz FRGXLGSMWOTDEE-ZJUUUORDSA-N 1 1 232.165 3.158 20 30 BGEDMO C#CCCC[N@H+](CCC)Cc1ccccc1 ZINC000307736142 636338098 /nfs/dbraw/zinc/33/80/98/636338098.db2.gz RJQWEYNARBQYOA-UHFFFAOYSA-N 1 1 215.340 3.312 20 30 BGEDMO CC(C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000307769419 326115325 /nfs/dbraw/zinc/11/53/25/326115325.db2.gz DAKQOBGJGBGXNQ-INIZCTEOSA-N 1 1 242.366 3.426 20 30 BGEDMO CC(C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000307769422 326115544 /nfs/dbraw/zinc/11/55/44/326115544.db2.gz DAKQOBGJGBGXNQ-MRXNPFEDSA-N 1 1 242.366 3.426 20 30 BGEDMO CC(C)C[C@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000307769556 326115306 /nfs/dbraw/zinc/11/53/06/326115306.db2.gz DRPUHWYGMTVTKO-CYBMUJFWSA-N 1 1 222.376 3.294 20 30 BGEDMO CC(C)C[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000307769560 326115377 /nfs/dbraw/zinc/11/53/77/326115377.db2.gz DRPUHWYGMTVTKO-ZDUSSCGKSA-N 1 1 222.376 3.294 20 30 BGEDMO CC(C)(C)C[C@H]1CC[N@@H+](CCCCC#N)C1 ZINC000307770424 388425285 /nfs/dbraw/zinc/42/52/85/388425285.db2.gz FHYQKRTZZBYPIK-CYBMUJFWSA-N 1 1 222.376 3.438 20 30 BGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCCCC#N)C1 ZINC000307770425 388425902 /nfs/dbraw/zinc/42/59/02/388425902.db2.gz FHYQKRTZZBYPIK-ZDUSSCGKSA-N 1 1 222.376 3.438 20 30 BGEDMO CC(C)(C)C[C@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000307772382 398344401 /nfs/dbraw/zinc/34/44/01/398344401.db2.gz IBRWGLRNXLRVJD-CYBMUJFWSA-N 1 1 234.387 3.438 20 30 BGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000307772386 398344467 /nfs/dbraw/zinc/34/44/67/398344467.db2.gz IBRWGLRNXLRVJD-ZDUSSCGKSA-N 1 1 234.387 3.438 20 30 BGEDMO CC(C)(C)C[C@H]1CC[N@@H+](CCCC#N)C1 ZINC000307775330 388425567 /nfs/dbraw/zinc/42/55/67/388425567.db2.gz NSSQWHJSOIEDRC-GFCCVEGCSA-N 1 1 208.349 3.048 20 30 BGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCCC#N)C1 ZINC000307775331 388425408 /nfs/dbraw/zinc/42/54/08/388425408.db2.gz NSSQWHJSOIEDRC-LBPRGKRZSA-N 1 1 208.349 3.048 20 30 BGEDMO CC(C)C[C@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000307777274 370044073 /nfs/dbraw/zinc/04/40/73/370044073.db2.gz QBYICRSVLMBHNM-CYBMUJFWSA-N 1 1 220.360 3.048 20 30 BGEDMO CC(C)C[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000307777276 370043944 /nfs/dbraw/zinc/04/39/44/370043944.db2.gz QBYICRSVLMBHNM-ZDUSSCGKSA-N 1 1 220.360 3.048 20 30 BGEDMO 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C=C(Br)C[N@H+](CC)[C@H](C)CC ZINC000307885034 642339162 /nfs/dbraw/zinc/33/91/62/642339162.db2.gz UPTFWAFFEHUFQR-SECBINFHSA-N 1 1 220.154 3.015 20 30 BGEDMO C=C(Br)C[N@H+](CC)[C@@H](C)CC ZINC000307885035 642339804 /nfs/dbraw/zinc/33/98/04/642339804.db2.gz UPTFWAFFEHUFQR-VIFPVBQESA-N 1 1 220.154 3.015 20 30 BGEDMO C=C(Br)C[N@H+](CC1CC1)C(C)C ZINC000307942135 642351755 /nfs/dbraw/zinc/35/17/55/642351755.db2.gz CSQLDPYCAPSRDR-UHFFFAOYSA-N 1 1 232.165 3.015 20 30 BGEDMO C=C(Br)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000307961591 642356239 /nfs/dbraw/zinc/35/62/39/642356239.db2.gz MBSWPQOCFSYBRU-SECBINFHSA-N 1 1 234.181 3.261 20 30 BGEDMO C=C(Br)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000307961592 642355628 /nfs/dbraw/zinc/35/56/28/642355628.db2.gz MBSWPQOCFSYBRU-VIFPVBQESA-N 1 1 234.181 3.261 20 30 BGEDMO C=C(Br)C[N@H+](C)[C@@H](C)CCCC ZINC000307963744 633143959 /nfs/dbraw/zinc/14/39/59/633143959.db2.gz PBGLRSSXPSOBSB-JTQLQIEISA-N 1 1 234.181 3.406 20 30 BGEDMO C=C(Br)C[N@H+](C)[C@H](C)CCCC 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ZINC000308411675 538116690 /nfs/dbraw/zinc/11/66/90/538116690.db2.gz LUDKPBZOEMEQCV-UHFFFAOYSA-N 1 1 215.749 3.409 20 30 BGEDMO C=C(C)C[N@@H+](C)Cc1cscc1Cl ZINC000308411675 538116689 /nfs/dbraw/zinc/11/66/89/538116689.db2.gz LUDKPBZOEMEQCV-UHFFFAOYSA-N 1 1 215.749 3.409 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H]1CCC ZINC000308432351 631333035 /nfs/dbraw/zinc/33/30/35/631333035.db2.gz UJIICAUYJIAELD-LLVKDONJSA-N 1 1 201.741 3.394 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CCC ZINC000308432352 631331342 /nfs/dbraw/zinc/33/13/42/631331342.db2.gz UJIICAUYJIAELD-NSHDSACASA-N 1 1 201.741 3.394 20 30 BGEDMO C=C(C)C[NH2+]C1(C(F)F)CCCCC1 ZINC000308487256 526624438 /nfs/dbraw/zinc/62/44/38/526624438.db2.gz AIWCBJWSJOPIJL-UHFFFAOYSA-N 1 1 203.276 3.120 20 30 BGEDMO C=C(C)CC[N@H+](C)[C@H](CC)CSC ZINC000308505238 346880111 /nfs/dbraw/zinc/88/01/11/346880111.db2.gz YZDHLFFDQGMITJ-LLVKDONJSA-N 1 1 201.379 3.026 20 30 BGEDMO C=C(C)CC[N@H+](C)[C@@H](CC)CSC ZINC000308505239 346880428 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/nfs/dbraw/zinc/09/26/47/632092647.db2.gz WRJCJZOHEUIRCR-SECBINFHSA-N 1 1 243.137 3.064 20 30 BGEDMO C=C(Cl)C[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000308890686 632093201 /nfs/dbraw/zinc/09/32/01/632093201.db2.gz WRJCJZOHEUIRCR-VIFPVBQESA-N 1 1 243.137 3.064 20 30 BGEDMO CCC[N@@H+](CC(C)C)CC1(CC#N)CC1 ZINC000308990418 349267184 /nfs/dbraw/zinc/26/71/84/349267184.db2.gz HYSKZBAMVMSGJP-UHFFFAOYSA-N 1 1 208.349 3.048 20 30 BGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)s1 ZINC000309013746 385368955 /nfs/dbraw/zinc/36/89/55/385368955.db2.gz STQLIWZUIGNCRX-MRVPVSSYSA-N 1 1 240.759 3.356 20 30 BGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)s1 ZINC000309013747 385368971 /nfs/dbraw/zinc/36/89/71/385368971.db2.gz STQLIWZUIGNCRX-QMMMGPOBSA-N 1 1 240.759 3.356 20 30 BGEDMO CC[N@@H+](CCC(C)(C)C#N)CC(C)(C)C ZINC000309024113 528406168 /nfs/dbraw/zinc/40/61/68/528406168.db2.gz WVMBOYHULMIICI-UHFFFAOYSA-N 1 1 210.365 3.294 20 30 BGEDMO C=C(Cl)C[NH2+]Cc1c(F)cccc1CC ZINC000309028749 631809832 /nfs/dbraw/zinc/80/98/32/631809832.db2.gz CGOONEJFVLSOKR-UHFFFAOYSA-N 1 1 227.710 3.230 20 30 BGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCCC(C)(C)C#N ZINC000309056166 529423505 /nfs/dbraw/zinc/42/35/05/529423505.db2.gz MNYHHMXHTDWNGD-CHWSQXEVSA-N 1 1 222.376 3.437 20 30 BGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCCC(C)(C)C#N ZINC000309056167 529316187 /nfs/dbraw/zinc/31/61/87/529316187.db2.gz MNYHHMXHTDWNGD-OLZOCXBDSA-N 1 1 222.376 3.437 20 30 BGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCCC(C)(C)C#N ZINC000309056593 529439393 /nfs/dbraw/zinc/43/93/93/529439393.db2.gz MNYHHMXHTDWNGD-QWHCGFSZSA-N 1 1 222.376 3.437 20 30 BGEDMO CC[C@H]1C[C@H](C)C[N@H+]1CCCC(C)(C)C#N ZINC000309056594 529325561 /nfs/dbraw/zinc/32/55/61/529325561.db2.gz MNYHHMXHTDWNGD-STQMWFEESA-N 1 1 222.376 3.437 20 30 BGEDMO Cc1ccsc1C[N@@H+](C)CCC(C)(C)C#N ZINC000309058905 385396366 /nfs/dbraw/zinc/39/63/66/385396366.db2.gz LIOBXEOBMPTSSE-UHFFFAOYSA-N 1 1 236.384 3.428 20 30 BGEDMO CC[C@@]1(C)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000309059391 346958823 /nfs/dbraw/zinc/95/88/23/346958823.db2.gz OVPMRPWCKRGJEB-AWEZNQCLSA-N 1 1 222.376 3.438 20 30 BGEDMO CC[C@]1(C)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000309059392 346958927 /nfs/dbraw/zinc/95/89/27/346958927.db2.gz OVPMRPWCKRGJEB-CQSZACIVSA-N 1 1 222.376 3.438 20 30 BGEDMO C#C[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000309124139 711591860 /nfs/dbraw/zinc/59/18/60/711591860.db2.gz OVUFOXIQFKKDBP-SSDOTTSWSA-N 1 1 246.112 3.244 20 30 BGEDMO C#C[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000309124141 711591926 /nfs/dbraw/zinc/59/19/26/711591926.db2.gz OVUFOXIQFKKDBP-ZETCQYMHSA-N 1 1 246.112 3.244 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@H]1C=CCCCCC1 ZINC000309134544 385105721 /nfs/dbraw/zinc/10/57/21/385105721.db2.gz BRJRXFRFZUWISM-KBPBESRZSA-N 1 1 220.360 3.357 20 30 BGEDMO CC[N@@H+](C[C@H](C)C#N)[C@H]1C=CCCCCC1 ZINC000309134545 385106895 /nfs/dbraw/zinc/10/68/95/385106895.db2.gz BRJRXFRFZUWISM-KGLIPLIRSA-N 1 1 220.360 3.357 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1C=CCCCCC1 ZINC000309134546 385106012 /nfs/dbraw/zinc/10/60/12/385106012.db2.gz BRJRXFRFZUWISM-UONOGXRCSA-N 1 1 220.360 3.357 20 30 BGEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H]1C=CCCCCC1 ZINC000309134547 385106093 /nfs/dbraw/zinc/10/60/93/385106093.db2.gz BRJRXFRFZUWISM-ZIAGYGMSSA-N 1 1 220.360 3.357 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000309141144 631910035 /nfs/dbraw/zinc/91/00/35/631910035.db2.gz VWUWYRQLYHBXJC-JTQLQIEISA-N 1 1 233.277 3.063 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000309141146 631909979 /nfs/dbraw/zinc/90/99/79/631909979.db2.gz VWUWYRQLYHBXJC-SNVBAGLBSA-N 1 1 233.277 3.063 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(SC)s1 ZINC000309237577 536058246 /nfs/dbraw/zinc/05/82/46/536058246.db2.gz XVKXZXBTLTZGJT-SECBINFHSA-N 1 1 240.397 3.252 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(SC)s1 ZINC000309237580 134385751 /nfs/dbraw/zinc/38/57/51/134385751.db2.gz XVKXZXBTLTZGJT-VIFPVBQESA-N 1 1 240.397 3.252 20 30 BGEDMO CC(=[NH+]OCC(C)C)c1ccc(N)cc1Cl ZINC000309245529 631980288 /nfs/dbraw/zinc/98/02/88/631980288.db2.gz CBAIUYKROGEKKZ-UHFFFAOYSA-N 1 1 240.734 3.319 20 30 BGEDMO C=CCCCCNc1cc(CC)[nH+]c(C)n1 ZINC000309271364 491146950 /nfs/dbraw/zinc/14/69/50/491146950.db2.gz GIEBIFDLDYPKDS-UHFFFAOYSA-N 1 1 219.332 3.116 20 30 BGEDMO CC(C)[C@@H]([NH2+]CCC#N)c1ccc(F)cc1 ZINC000309306966 134389667 /nfs/dbraw/zinc/38/96/67/134389667.db2.gz BBQIMXOUFFJJMR-CYBMUJFWSA-N 1 1 220.291 3.026 20 30 BGEDMO CC(C)[C@H]([NH2+]CCC#N)c1ccc(F)cc1 ZINC000309306967 535122004 /nfs/dbraw/zinc/12/20/04/535122004.db2.gz BBQIMXOUFFJJMR-ZDUSSCGKSA-N 1 1 220.291 3.026 20 30 BGEDMO CC(C)c1cccc(C[NH2+][C@H](C)CC#N)c1 ZINC000309314454 350309752 /nfs/dbraw/zinc/30/97/52/350309752.db2.gz CSRKBXHCXSSDSV-GFCCVEGCSA-N 1 1 216.328 3.202 20 30 BGEDMO CC(C)c1cccc(C[NH2+][C@@H](C)CC#N)c1 ZINC000309314456 350310238 /nfs/dbraw/zinc/31/02/38/350310238.db2.gz CSRKBXHCXSSDSV-LBPRGKRZSA-N 1 1 216.328 3.202 20 30 BGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000309317669 350306472 /nfs/dbraw/zinc/30/64/72/350306472.db2.gz DMMPDVKGWNWNFI-SSDOTTSWSA-N 1 1 248.273 3.016 20 30 BGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000309317670 350306457 /nfs/dbraw/zinc/30/64/57/350306457.db2.gz DMMPDVKGWNWNFI-ZETCQYMHSA-N 1 1 248.273 3.016 20 30 BGEDMO Cc1cc(C[N@H+](CCC#N)CC(C)C)cs1 ZINC000309336353 632004018 /nfs/dbraw/zinc/00/40/18/632004018.db2.gz UHZSRQXXHRZZFN-UHFFFAOYSA-N 1 1 236.384 3.428 20 30 BGEDMO Cc1cc(C[N@@H+](CCC#N)CC(C)C)cs1 ZINC000309336353 632004017 /nfs/dbraw/zinc/00/40/17/632004017.db2.gz UHZSRQXXHRZZFN-UHFFFAOYSA-N 1 1 236.384 3.428 20 30 BGEDMO C=CCCCCCCC[NH2+]Cc1ccn[nH]1 ZINC000309379988 632025326 /nfs/dbraw/zinc/02/53/26/632025326.db2.gz RWBUPIUKYUIHTF-UHFFFAOYSA-N 1 1 221.348 3.026 20 30 BGEDMO C[C@H](CC#N)[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC000309400006 350368441 /nfs/dbraw/zinc/36/84/41/350368441.db2.gz WBOUAEHDWFTERD-KXMPLOMGSA-N 1 1 234.730 3.245 20 30 BGEDMO C[C@H](CC#N)[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC000309400008 350368401 /nfs/dbraw/zinc/36/84/01/350368401.db2.gz WBOUAEHDWFTERD-OTDNITJGSA-N 1 1 234.730 3.245 20 30 BGEDMO C[C@@H](CC#N)[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC000309400009 350368266 /nfs/dbraw/zinc/36/82/66/350368266.db2.gz WBOUAEHDWFTERD-QUCGXOGASA-N 1 1 234.730 3.245 20 30 BGEDMO C[C@@H](CC#N)[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC000309400010 350368255 /nfs/dbraw/zinc/36/82/55/350368255.db2.gz WBOUAEHDWFTERD-VUDBWIFFSA-N 1 1 234.730 3.245 20 30 BGEDMO CC(C)(CCC#N)CNc1cc[nH+]cc1Cl ZINC000309414631 347057208 /nfs/dbraw/zinc/05/72/08/347057208.db2.gz YMPWFOUOUWWXDA-UHFFFAOYSA-N 1 1 237.734 3.477 20 30 BGEDMO CC(C)[N@@H+](CCC#N)C[C@H]1CCC[C@H](C)C1 ZINC000309427114 387667966 /nfs/dbraw/zinc/66/79/66/387667966.db2.gz IVEAQQQSBQEEEY-KBPBESRZSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)[N@@H+](CCC#N)C[C@H]1CCC[C@@H](C)C1 ZINC000309427115 387668659 /nfs/dbraw/zinc/66/86/59/387668659.db2.gz IVEAQQQSBQEEEY-KGLIPLIRSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)[N@@H+](CCC#N)C[C@@H]1CCC[C@H](C)C1 ZINC000309427116 387668726 /nfs/dbraw/zinc/66/87/26/387668726.db2.gz IVEAQQQSBQEEEY-UONOGXRCSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)[N@@H+](CCC#N)C[C@@H]1CCC[C@@H](C)C1 ZINC000309427117 387669293 /nfs/dbraw/zinc/66/92/93/387669293.db2.gz IVEAQQQSBQEEEY-ZIAGYGMSSA-N 1 1 222.376 3.437 20 30 BGEDMO CC[C@@H]([NH2+][C@@H](C)CC#N)c1ccc(F)cc1 ZINC000309428121 347061840 /nfs/dbraw/zinc/06/18/40/347061840.db2.gz FOPORGHIWMXXIL-GXFFZTMASA-N 1 1 220.291 3.169 20 30 BGEDMO CC[C@@H]([NH2+][C@H](C)CC#N)c1ccc(F)cc1 ZINC000309428122 350452805 /nfs/dbraw/zinc/45/28/05/350452805.db2.gz FOPORGHIWMXXIL-ZWNOBZJWSA-N 1 1 220.291 3.169 20 30 BGEDMO CCCCCCCC[NH2+]Cc1n[nH]cc1C ZINC000309435903 633069832 /nfs/dbraw/zinc/06/98/32/633069832.db2.gz HEUYNESSTLIOFY-UHFFFAOYSA-N 1 1 223.364 3.168 20 30 BGEDMO CC[N@@H+](CCC#N)CC1CCC(C)(C)CC1 ZINC000309487525 385607863 /nfs/dbraw/zinc/60/78/63/385607863.db2.gz YPFSZIKMJKXZML-UHFFFAOYSA-N 1 1 222.376 3.438 20 30 BGEDMO C=CCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000309492897 632421192 /nfs/dbraw/zinc/42/11/92/632421192.db2.gz JFVAVEVUKYSTBO-UHFFFAOYSA-N 1 1 243.709 3.241 20 30 BGEDMO C=C(C)CCn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000309508699 384113711 /nfs/dbraw/zinc/11/37/11/384113711.db2.gz OHXMLIZOMUTUHJ-NEPJUHHUSA-N 1 1 218.344 3.220 20 30 BGEDMO C=C(C)CCn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000309508700 384113946 /nfs/dbraw/zinc/11/39/46/384113946.db2.gz OHXMLIZOMUTUHJ-NWDGAFQWSA-N 1 1 218.344 3.220 20 30 BGEDMO C=C(C)CCn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000309508701 384114111 /nfs/dbraw/zinc/11/41/11/384114111.db2.gz OHXMLIZOMUTUHJ-RYUDHWBXSA-N 1 1 218.344 3.220 20 30 BGEDMO C=C(C)CCn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000309508702 384115139 /nfs/dbraw/zinc/11/51/39/384115139.db2.gz OHXMLIZOMUTUHJ-VXGBXAGGSA-N 1 1 218.344 3.220 20 30 BGEDMO C=C(CC)Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000309540660 388456845 /nfs/dbraw/zinc/45/68/45/388456845.db2.gz YEEUOGLGLHPFAZ-NEPJUHHUSA-N 1 1 218.344 3.220 20 30 BGEDMO C=C(CC)Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000309540662 388456733 /nfs/dbraw/zinc/45/67/33/388456733.db2.gz YEEUOGLGLHPFAZ-NWDGAFQWSA-N 1 1 218.344 3.220 20 30 BGEDMO C=C(CC)Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000309540664 388456688 /nfs/dbraw/zinc/45/66/88/388456688.db2.gz YEEUOGLGLHPFAZ-RYUDHWBXSA-N 1 1 218.344 3.220 20 30 BGEDMO C=C(CC)Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000309540666 388456413 /nfs/dbraw/zinc/45/64/13/388456413.db2.gz YEEUOGLGLHPFAZ-VXGBXAGGSA-N 1 1 218.344 3.220 20 30 BGEDMO N#CCC[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000309547519 633197301 /nfs/dbraw/zinc/19/73/01/633197301.db2.gz DSTGWWCKDWHAMS-UHFFFAOYSA-N 1 1 242.294 3.005 20 30 BGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(Cl)c1 ZINC000309589571 385721086 /nfs/dbraw/zinc/72/10/86/385721086.db2.gz UJFAPKPVANUOLG-JTQLQIEISA-N 1 1 234.730 3.294 20 30 BGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(Cl)c1 ZINC000309589572 385720818 /nfs/dbraw/zinc/72/08/18/385720818.db2.gz UJFAPKPVANUOLG-SNVBAGLBSA-N 1 1 234.730 3.294 20 30 BGEDMO C=CCCCC[C@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000309599086 385726612 /nfs/dbraw/zinc/72/66/12/385726612.db2.gz XDAYFLMRDYWNLE-KBPBESRZSA-N 1 1 226.408 3.051 20 30 BGEDMO C=CCCCC[C@@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000309599087 385726693 /nfs/dbraw/zinc/72/66/93/385726693.db2.gz XDAYFLMRDYWNLE-KGLIPLIRSA-N 1 1 226.408 3.051 20 30 BGEDMO C=CCCCC[C@H](C)[NH2+][C@H](C)CCN(C)C ZINC000309599088 134469633 /nfs/dbraw/zinc/46/96/33/134469633.db2.gz XDAYFLMRDYWNLE-UONOGXRCSA-N 1 1 226.408 3.051 20 30 BGEDMO C=CCCCC[C@@H](C)[NH2+][C@H](C)CCN(C)C ZINC000309599089 385727677 /nfs/dbraw/zinc/72/76/77/385727677.db2.gz XDAYFLMRDYWNLE-ZIAGYGMSSA-N 1 1 226.408 3.051 20 30 BGEDMO CCC#C[C@H](C)[NH2+]C(C)(C)c1ncc(C)s1 ZINC000309602292 491152147 /nfs/dbraw/zinc/15/21/47/491152147.db2.gz KJBNGOUFOWVYEI-JTQLQIEISA-N 1 1 236.384 3.078 20 30 BGEDMO CCC#C[C@@H](C)[NH2+]C(C)(C)c1ncc(C)s1 ZINC000309602293 491152196 /nfs/dbraw/zinc/15/21/96/491152196.db2.gz KJBNGOUFOWVYEI-SNVBAGLBSA-N 1 1 236.384 3.078 20 30 BGEDMO C#C[C@@H]([NH2+]Cc1ncc(C(C)C)s1)C(C)C ZINC000309602776 388459096 /nfs/dbraw/zinc/45/90/96/388459096.db2.gz KMGISMHNBXVKSX-LLVKDONJSA-N 1 1 236.384 3.014 20 30 BGEDMO C#C[C@H]([NH2+]Cc1ncc(C(C)C)s1)C(C)C ZINC000309602777 388458801 /nfs/dbraw/zinc/45/88/01/388458801.db2.gz KMGISMHNBXVKSX-NSHDSACASA-N 1 1 236.384 3.014 20 30 BGEDMO C#CCCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000309650191 632614311 /nfs/dbraw/zinc/61/43/11/632614311.db2.gz SKCXZRUGSHEFLG-UHFFFAOYSA-N 1 1 230.698 3.323 20 30 BGEDMO CCCc1ccc(C[NH2+][C@H](C)CC#N)cc1 ZINC000309681154 342785163 /nfs/dbraw/zinc/78/51/63/342785163.db2.gz ZNSUBRJNRMHULK-GFCCVEGCSA-N 1 1 216.328 3.031 20 30 BGEDMO CCCc1ccc(C[NH2+][C@@H](C)CC#N)cc1 ZINC000309681155 342785178 /nfs/dbraw/zinc/78/51/78/342785178.db2.gz ZNSUBRJNRMHULK-LBPRGKRZSA-N 1 1 216.328 3.031 20 30 BGEDMO C=C(C)[C@@H]([NH2+]CCF)c1ccc(F)c(F)c1 ZINC000309697463 347135437 /nfs/dbraw/zinc/13/54/37/347135437.db2.gz RSTWEKRIGGDLHM-GFCCVEGCSA-N 1 1 229.245 3.141 20 30 BGEDMO C=C(C)[C@H]([NH2+]CCF)c1ccc(F)c(F)c1 ZINC000309697464 347135582 /nfs/dbraw/zinc/13/55/82/347135582.db2.gz RSTWEKRIGGDLHM-LBPRGKRZSA-N 1 1 229.245 3.141 20 30 BGEDMO Cc1cc(Cl)ccc1C[NH2+]CC1(C#N)CC1 ZINC000309848859 326171640 /nfs/dbraw/zinc/17/16/40/326171640.db2.gz HZQLPFYAUPHURC-UHFFFAOYSA-N 1 1 234.730 3.042 20 30 BGEDMO C=CCC(C)(C)CNc1cc(C)[nH+]c(C)n1 ZINC000309851633 411242181 /nfs/dbraw/zinc/24/21/81/411242181.db2.gz YCOAJDHQTZZYBT-UHFFFAOYSA-N 1 1 219.332 3.108 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000309911868 632679322 /nfs/dbraw/zinc/67/93/22/632679322.db2.gz NDDWIIBBVVBURN-SECBINFHSA-N 1 1 243.709 3.237 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000309911870 633933962 /nfs/dbraw/zinc/93/39/62/633933962.db2.gz NDDWIIBBVVBURN-VIFPVBQESA-N 1 1 243.709 3.237 20 30 BGEDMO CC[C@H]([NH2+][C@@H](C)CC#N)c1ccc(F)cc1 ZINC000310003250 343144892 /nfs/dbraw/zinc/14/48/92/343144892.db2.gz FOPORGHIWMXXIL-GWCFXTLKSA-N 1 1 220.291 3.169 20 30 BGEDMO CC[C@H]([NH2+][C@H](C)CC#N)c1ccc(F)cc1 ZINC000310003251 343144748 /nfs/dbraw/zinc/14/47/48/343144748.db2.gz FOPORGHIWMXXIL-MFKMUULPSA-N 1 1 220.291 3.169 20 30 BGEDMO C=CC[C@@H](CC)Nc1cc(CC)[nH+]c(C)n1 ZINC000310018422 491160185 /nfs/dbraw/zinc/16/01/85/491160185.db2.gz LYTGVBOPENWILP-LLVKDONJSA-N 1 1 219.332 3.114 20 30 BGEDMO C=CC[C@H](CC)Nc1cc(CC)[nH+]c(C)n1 ZINC000310018424 491160180 /nfs/dbraw/zinc/16/01/80/491160180.db2.gz LYTGVBOPENWILP-NSHDSACASA-N 1 1 219.332 3.114 20 30 BGEDMO C=CC[C@@H](CC)Nc1cc(C)[nH+]c(CC)n1 ZINC000310018923 384785739 /nfs/dbraw/zinc/78/57/39/384785739.db2.gz MFVZRZOOQXEFPZ-LLVKDONJSA-N 1 1 219.332 3.114 20 30 BGEDMO C=CC[C@H](CC)Nc1cc(C)[nH+]c(CC)n1 ZINC000310018924 384787754 /nfs/dbraw/zinc/78/77/54/384787754.db2.gz MFVZRZOOQXEFPZ-NSHDSACASA-N 1 1 219.332 3.114 20 30 BGEDMO C=C[C@@H](C)[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000310036803 634100700 /nfs/dbraw/zinc/10/07/00/634100700.db2.gz UOWKZVVZYSQEIJ-BXKDBHETSA-N 1 1 223.291 3.147 20 30 BGEDMO C=C[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000310036804 634100755 /nfs/dbraw/zinc/10/07/55/634100755.db2.gz UOWKZVVZYSQEIJ-CABZTGNLSA-N 1 1 223.291 3.147 20 30 BGEDMO C=C[C@H](C)[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000310036805 634099823 /nfs/dbraw/zinc/09/98/23/634099823.db2.gz UOWKZVVZYSQEIJ-JOYOIKCWSA-N 1 1 223.291 3.147 20 30 BGEDMO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000310036806 634100314 /nfs/dbraw/zinc/10/03/14/634100314.db2.gz UOWKZVVZYSQEIJ-SKDRFNHKSA-N 1 1 223.291 3.147 20 30 BGEDMO CCCCCCC[NH2+][C@H](C)c1cn[nH]c1C ZINC000310041749 634067725 /nfs/dbraw/zinc/06/77/25/634067725.db2.gz YYFSUHVHBDUQDS-LLVKDONJSA-N 1 1 223.364 3.339 20 30 BGEDMO CCCCCCC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000310041750 634108809 /nfs/dbraw/zinc/10/88/09/634108809.db2.gz YYFSUHVHBDUQDS-NSHDSACASA-N 1 1 223.364 3.339 20 30 BGEDMO COC(C)(C)C[N@@H+](C)CCCCC(C)(C)C#N ZINC000310044741 323127376 /nfs/dbraw/zinc/12/73/76/323127376.db2.gz QHEAPNGANWXFKJ-UHFFFAOYSA-N 1 1 240.391 3.063 20 30 BGEDMO C=CCCCC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000310084346 347227322 /nfs/dbraw/zinc/22/73/22/347227322.db2.gz MDWOAOOCKJFKGH-CABCVRRESA-N 1 1 230.355 3.077 20 30 BGEDMO C=CCCCC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000310084347 347227369 /nfs/dbraw/zinc/22/73/69/347227369.db2.gz MDWOAOOCKJFKGH-GJZGRUSLSA-N 1 1 230.355 3.077 20 30 BGEDMO C=CCCCC[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000310084348 347227198 /nfs/dbraw/zinc/22/71/98/347227198.db2.gz MDWOAOOCKJFKGH-HUUCEWRRSA-N 1 1 230.355 3.077 20 30 BGEDMO C=CCCCC[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000310084349 347227391 /nfs/dbraw/zinc/22/73/91/347227391.db2.gz MDWOAOOCKJFKGH-LSDHHAIUSA-N 1 1 230.355 3.077 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000310099211 632700118 /nfs/dbraw/zinc/70/01/18/632700118.db2.gz JTQOSXLLGGMBJS-AWEZNQCLSA-N 1 1 241.419 3.440 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000310099212 632700582 /nfs/dbraw/zinc/70/05/82/632700582.db2.gz JTQOSXLLGGMBJS-CQSZACIVSA-N 1 1 241.419 3.440 20 30 BGEDMO CCC[N@H+](Cc1ccccc1C#N)CC(C)C ZINC000310108766 169177939 /nfs/dbraw/zinc/17/79/39/169177939.db2.gz QFWRITDYFKFIFU-UHFFFAOYSA-N 1 1 230.355 3.426 20 30 BGEDMO CCC(CC)[N@@H+](CCO[C@H](C)C#N)CC(C)C ZINC000310147619 632703713 /nfs/dbraw/zinc/70/37/13/632703713.db2.gz HAIMIRNEPWRZHP-CYBMUJFWSA-N 1 1 240.391 3.062 20 30 BGEDMO CCC(CC)[N@@H+](CCO[C@@H](C)C#N)CC(C)C ZINC000310147620 632704401 /nfs/dbraw/zinc/70/44/01/632704401.db2.gz HAIMIRNEPWRZHP-ZDUSSCGKSA-N 1 1 240.391 3.062 20 30 BGEDMO CCCCCCCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000310208363 632708885 /nfs/dbraw/zinc/70/88/85/632708885.db2.gz CBFQAMIOFFDZRR-GJZGRUSLSA-N 1 1 238.419 3.031 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000310208363 632708880 /nfs/dbraw/zinc/70/88/80/632708880.db2.gz CBFQAMIOFFDZRR-GJZGRUSLSA-N 1 1 238.419 3.031 20 30 BGEDMO CCCCCCCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000310208368 632708348 /nfs/dbraw/zinc/70/83/48/632708348.db2.gz CBFQAMIOFFDZRR-HUUCEWRRSA-N 1 1 238.419 3.031 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000310208368 632708344 /nfs/dbraw/zinc/70/83/44/632708344.db2.gz CBFQAMIOFFDZRR-HUUCEWRRSA-N 1 1 238.419 3.031 20 30 BGEDMO CCCCCCCCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000310208375 632708558 /nfs/dbraw/zinc/70/85/58/632708558.db2.gz CBFQAMIOFFDZRR-LSDHHAIUSA-N 1 1 238.419 3.031 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000310208375 632708555 /nfs/dbraw/zinc/70/85/55/632708555.db2.gz CBFQAMIOFFDZRR-LSDHHAIUSA-N 1 1 238.419 3.031 20 30 BGEDMO C[N@@H+](CCCCCF)Cc1cccc(C#N)c1 ZINC000310228962 384128125 /nfs/dbraw/zinc/12/81/25/384128125.db2.gz IYZOWCQXUQRONR-UHFFFAOYSA-N 1 1 234.318 3.130 20 30 BGEDMO C=CCCCCCC[NH2+]C1CCN(CC)CC1 ZINC000310296393 634105829 /nfs/dbraw/zinc/10/58/29/634105829.db2.gz MBDKIUWEFBPCQE-UHFFFAOYSA-N 1 1 238.419 3.197 20 30 BGEDMO C[N@@H+](CCC1CC1)Cc1ccc(C#N)cc1Cl ZINC000310358444 384247543 /nfs/dbraw/zinc/24/75/43/384247543.db2.gz SOZSANCDDQJZOF-UHFFFAOYSA-N 1 1 248.757 3.444 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC000310472976 388483611 /nfs/dbraw/zinc/48/36/11/388483611.db2.gz JDIXLGKFVOORFL-CHWSQXEVSA-N 1 1 222.376 3.294 20 30 BGEDMO C[C@@H](C[N@H+](C)C[C@H](C)C#N)C1CCCCC1 ZINC000310472978 388483640 /nfs/dbraw/zinc/48/36/40/388483640.db2.gz JDIXLGKFVOORFL-OLZOCXBDSA-N 1 1 222.376 3.294 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC000310472980 388483650 /nfs/dbraw/zinc/48/36/50/388483650.db2.gz JDIXLGKFVOORFL-QWHCGFSZSA-N 1 1 222.376 3.294 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC000310472982 388484170 /nfs/dbraw/zinc/48/41/70/388484170.db2.gz JDIXLGKFVOORFL-STQMWFEESA-N 1 1 222.376 3.294 20 30 BGEDMO C=CCC(C)(C)CNc1cc(CC)[nH+]c(C)n1 ZINC000310478086 411237835 /nfs/dbraw/zinc/23/78/35/411237835.db2.gz KSERNUVCOVFVBG-UHFFFAOYSA-N 1 1 233.359 3.362 20 30 BGEDMO CC[N@@H+](Cc1ccccc1C#N)CC(C)(C)C ZINC000310506152 388669000 /nfs/dbraw/zinc/66/90/00/388669000.db2.gz JDPZNKIEHGZOOG-UHFFFAOYSA-N 1 1 230.355 3.426 20 30 BGEDMO COCC(C)(C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000310534417 358444299 /nfs/dbraw/zinc/44/42/99/358444299.db2.gz QSGZURCUOKYOEB-UHFFFAOYSA-N 1 1 240.391 3.063 20 30 BGEDMO C=CCC(C)(C)CNc1cc(C)[nH+]c(CC)n1 ZINC000310548264 347292983 /nfs/dbraw/zinc/29/29/83/347292983.db2.gz FNHOFTCBJFBGHW-UHFFFAOYSA-N 1 1 233.359 3.362 20 30 BGEDMO CC[N@@H+](Cc1ccc(C#N)cc1)CC(C)(C)C ZINC000310566407 388669756 /nfs/dbraw/zinc/66/97/56/388669756.db2.gz XSKXCUNWNGGSIV-UHFFFAOYSA-N 1 1 230.355 3.426 20 30 BGEDMO N#Cc1ccc(F)c(C[N@H+]2CC3CCC2CC3)c1 ZINC000311117676 181112713 /nfs/dbraw/zinc/11/27/13/181112713.db2.gz NXIJCBWSUISXOY-UHFFFAOYSA-N 1 1 244.313 3.072 20 30 BGEDMO C=CC[NH2+]Cc1cc(Cl)sc1Cl ZINC000312559016 386275301 /nfs/dbraw/zinc/27/53/01/386275301.db2.gz LUAQIXPZYYWSMY-UHFFFAOYSA-N 1 1 222.140 3.331 20 30 BGEDMO C=C(CC)C[NH2+]Cc1occc1Br ZINC000313476764 634462315 /nfs/dbraw/zinc/46/23/15/634462315.db2.gz ALBRRXIQBDBYFX-UHFFFAOYSA-N 1 1 244.132 3.098 20 30 BGEDMO C=C(CC)C[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000313479632 322956935 /nfs/dbraw/zinc/95/69/35/322956935.db2.gz GVZNCHQKFYMOBL-UHFFFAOYSA-N 1 1 238.400 3.496 20 30 BGEDMO C=C(CC)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000313492511 634476262 /nfs/dbraw/zinc/47/62/62/634476262.db2.gz CBTRHKGGVKEGOZ-JTQLQIEISA-N 1 1 223.291 3.148 20 30 BGEDMO C=C(CC)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000313492512 634475917 /nfs/dbraw/zinc/47/59/17/634475917.db2.gz CBTRHKGGVKEGOZ-SNVBAGLBSA-N 1 1 223.291 3.148 20 30 BGEDMO CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000322398435 636861921 /nfs/dbraw/zinc/86/19/21/636861921.db2.gz TVISLXZVAWMWDQ-GOOCMWNKSA-N 1 1 238.419 3.172 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)CC/C=C\c1ccccc1 ZINC000323659121 323109198 /nfs/dbraw/zinc/10/91/98/323109198.db2.gz CEJVVRZRYKBEGM-APFBBLRHSA-N 1 1 228.339 3.181 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)CC/C=C\c1ccccc1 ZINC000323659122 323109215 /nfs/dbraw/zinc/10/92/15/323109215.db2.gz CEJVVRZRYKBEGM-LBIZBFCRSA-N 1 1 228.339 3.181 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)CC/C=C/c1ccccc1 ZINC000323659124 323109233 /nfs/dbraw/zinc/10/92/33/323109233.db2.gz CEJVVRZRYKBEGM-OAUONFCTSA-N 1 1 228.339 3.181 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)CC/C=C/c1ccccc1 ZINC000323659125 323109260 /nfs/dbraw/zinc/10/92/60/323109260.db2.gz CEJVVRZRYKBEGM-XYYIANASSA-N 1 1 228.339 3.181 20 30 BGEDMO C[C@@H](CC#N)[N@@H+](C)CC/C=C\c1ccccc1 ZINC000323677438 385654959 /nfs/dbraw/zinc/65/49/59/385654959.db2.gz GNKMMPDPUYOGOG-APFBBLRHSA-N 1 1 228.339 3.324 20 30 BGEDMO C[C@H](CC#N)[N@@H+](C)CC/C=C\c1ccccc1 ZINC000323677442 385654447 /nfs/dbraw/zinc/65/44/47/385654447.db2.gz GNKMMPDPUYOGOG-LBIZBFCRSA-N 1 1 228.339 3.324 20 30 BGEDMO C[C@H](CC#N)[N@@H+](C)CC/C=C/c1ccccc1 ZINC000323677447 385653790 /nfs/dbraw/zinc/65/37/90/385653790.db2.gz GNKMMPDPUYOGOG-OAUONFCTSA-N 1 1 228.339 3.324 20 30 BGEDMO C[C@@H](CC#N)[N@@H+](C)CC/C=C/c1ccccc1 ZINC000323677452 385653650 /nfs/dbraw/zinc/65/36/50/385653650.db2.gz GNKMMPDPUYOGOG-XYYIANASSA-N 1 1 228.339 3.324 20 30 BGEDMO N#C[C@@H]1CCC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000323758434 639445284 /nfs/dbraw/zinc/44/52/84/639445284.db2.gz WKIAYMIPUPHYDV-SGNXQUTQSA-N 1 1 240.350 3.325 20 30 BGEDMO N#C[C@@H]1CCC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000323758434 639445277 /nfs/dbraw/zinc/44/52/77/639445277.db2.gz WKIAYMIPUPHYDV-SGNXQUTQSA-N 1 1 240.350 3.325 20 30 BGEDMO N#C[C@@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000323758435 639444123 /nfs/dbraw/zinc/44/41/23/639444123.db2.gz WKIAYMIPUPHYDV-UFNQUYMESA-N 1 1 240.350 3.325 20 30 BGEDMO N#C[C@@H]1CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000323758435 639444120 /nfs/dbraw/zinc/44/41/20/639444120.db2.gz WKIAYMIPUPHYDV-UFNQUYMESA-N 1 1 240.350 3.325 20 30 BGEDMO N#C[C@H]1CCC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000323758436 639444805 /nfs/dbraw/zinc/44/48/05/639444805.db2.gz WKIAYMIPUPHYDV-VCELZJIISA-N 1 1 240.350 3.325 20 30 BGEDMO N#C[C@H]1CCC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000323758436 639444803 /nfs/dbraw/zinc/44/48/03/639444803.db2.gz WKIAYMIPUPHYDV-VCELZJIISA-N 1 1 240.350 3.325 20 30 BGEDMO N#C[C@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000323758437 639445529 /nfs/dbraw/zinc/44/55/29/639445529.db2.gz WKIAYMIPUPHYDV-VCIFKONDSA-N 1 1 240.350 3.325 20 30 BGEDMO N#C[C@H]1CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000323758437 639445523 /nfs/dbraw/zinc/44/55/23/639445523.db2.gz WKIAYMIPUPHYDV-VCIFKONDSA-N 1 1 240.350 3.325 20 30 BGEDMO CC[N@H+](CCC#N)CC/C=C/c1ccccc1 ZINC000323764399 386820412 /nfs/dbraw/zinc/82/04/12/386820412.db2.gz XXTPFNWCUCXYKW-IZZDOVSWSA-N 1 1 228.339 3.325 20 30 BGEDMO CC[N@H+](CCC#N)CC/C=C\c1ccccc1 ZINC000323764400 386820154 /nfs/dbraw/zinc/82/01/54/386820154.db2.gz XXTPFNWCUCXYKW-WDZFZDKYSA-N 1 1 228.339 3.325 20 30 BGEDMO C[C@H](C1CCC1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000325499381 388370383 /nfs/dbraw/zinc/37/03/83/388370383.db2.gz BXJVCOKDJVOLLB-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000325499382 388370257 /nfs/dbraw/zinc/37/02/57/388370257.db2.gz BXJVCOKDJVOLLB-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H](C1CCC1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000325773657 388390196 /nfs/dbraw/zinc/39/01/96/388390196.db2.gz ITARJGKBFGAAEK-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000325773660 388390395 /nfs/dbraw/zinc/39/03/95/388390395.db2.gz ITARJGKBFGAAEK-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H](C1CCC1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000325793457 388392251 /nfs/dbraw/zinc/39/22/51/388392251.db2.gz GXDWQZXXILYKDL-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000325793458 388392259 /nfs/dbraw/zinc/39/22/59/388392259.db2.gz GXDWQZXXILYKDL-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H](C1CCC1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000325801815 388391980 /nfs/dbraw/zinc/39/19/80/388391980.db2.gz IKBRZWGMWHGUDX-GFCCVEGCSA-N 1 1 228.339 3.179 20 30 BGEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000325801816 388391957 /nfs/dbraw/zinc/39/19/57/388391957.db2.gz IKBRZWGMWHGUDX-LBPRGKRZSA-N 1 1 228.339 3.179 20 30 BGEDMO C[C@H](C1CCC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000325810971 388392714 /nfs/dbraw/zinc/39/27/14/388392714.db2.gz KEHUJOJCUULLNC-GFCCVEGCSA-N 1 1 228.339 3.179 20 30 BGEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000325810972 388392434 /nfs/dbraw/zinc/39/24/34/388392434.db2.gz KEHUJOJCUULLNC-LBPRGKRZSA-N 1 1 228.339 3.179 20 30 BGEDMO C[C@H](C1CCC1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000325816266 176595215 /nfs/dbraw/zinc/59/52/15/176595215.db2.gz LGGNTAKIRKPQDN-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000325816267 388393505 /nfs/dbraw/zinc/39/35/05/388393505.db2.gz LGGNTAKIRKPQDN-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H](C1CCC1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000325839921 388394426 /nfs/dbraw/zinc/39/44/26/388394426.db2.gz XHVAAPNFQGMOAT-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000325839922 388394042 /nfs/dbraw/zinc/39/40/42/388394042.db2.gz XHVAAPNFQGMOAT-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H](C1CCC1)[N@@H+](C)Cc1ccccc1C#N ZINC000325857126 388395344 /nfs/dbraw/zinc/39/53/44/388395344.db2.gz WTXWHGWEQNCTNR-GFCCVEGCSA-N 1 1 228.339 3.179 20 30 BGEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1ccccc1C#N ZINC000325857128 388395667 /nfs/dbraw/zinc/39/56/67/388395667.db2.gz WTXWHGWEQNCTNR-LBPRGKRZSA-N 1 1 228.339 3.179 20 30 BGEDMO C[C@H](C1CCC1)[N@@H+](C)CCC(C)(C)C#N ZINC000325859317 358456977 /nfs/dbraw/zinc/45/69/77/358456977.db2.gz XQRJSGDBAQDGME-LLVKDONJSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@@H](C1CCC1)[N@@H+](C)CCC(C)(C)C#N ZINC000325859318 359649549 /nfs/dbraw/zinc/64/95/49/359649549.db2.gz XQRJSGDBAQDGME-NSHDSACASA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@H](C1CCC1)[N@@H+](C)CCCC(C)(C)C#N ZINC000325863418 358456577 /nfs/dbraw/zinc/45/65/77/358456577.db2.gz YWAQQXHXABJAQK-GFCCVEGCSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H](C1CCC1)[N@@H+](C)CCCC(C)(C)C#N ZINC000325863419 359648034 /nfs/dbraw/zinc/64/80/34/359648034.db2.gz YWAQQXHXABJAQK-LBPRGKRZSA-N 1 1 222.376 3.437 20 30 BGEDMO N#CC1(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000334208601 352805141 /nfs/dbraw/zinc/80/51/41/352805141.db2.gz KCMUKSVKXDLRKO-AWEZNQCLSA-N 1 1 230.355 3.112 20 30 BGEDMO N#CC1(C[N@H+]2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000334208607 352805321 /nfs/dbraw/zinc/80/53/21/352805321.db2.gz KCMUKSVKXDLRKO-CQSZACIVSA-N 1 1 230.355 3.112 20 30 BGEDMO N#CC1(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000334236124 352853846 /nfs/dbraw/zinc/85/38/46/352853846.db2.gz KYGLESFECJPJTD-AWEZNQCLSA-N 1 1 244.313 3.266 20 30 BGEDMO N#CC1(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000334236124 352853842 /nfs/dbraw/zinc/85/38/42/352853842.db2.gz KYGLESFECJPJTD-AWEZNQCLSA-N 1 1 244.313 3.266 20 30 BGEDMO N#CC1(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000334236132 352853389 /nfs/dbraw/zinc/85/33/89/352853389.db2.gz KYGLESFECJPJTD-CQSZACIVSA-N 1 1 244.313 3.266 20 30 BGEDMO N#CC1(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000334236132 352853387 /nfs/dbraw/zinc/85/33/87/352853387.db2.gz KYGLESFECJPJTD-CQSZACIVSA-N 1 1 244.313 3.266 20 30 BGEDMO Cc1ccc2c(c1)C[N@H+](CCC(C)(C)C#N)C2 ZINC000334244947 352834709 /nfs/dbraw/zinc/83/47/09/352834709.db2.gz RJGLBLPFJZRLKZ-UHFFFAOYSA-N 1 1 228.339 3.251 20 30 BGEDMO C=C(C)C[N@H+](C)C1CCC(F)(F)CC1 ZINC000334245972 352836551 /nfs/dbraw/zinc/83/65/51/352836551.db2.gz SNRSDFDPMLILQK-UHFFFAOYSA-N 1 1 203.276 3.072 20 30 BGEDMO N#CC1(C[N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000334259039 352870533 /nfs/dbraw/zinc/87/05/33/352870533.db2.gz SWWGMYQSRUGKOP-AWEZNQCLSA-N 1 1 226.323 3.127 20 30 BGEDMO N#CC1(C[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000334259040 352870459 /nfs/dbraw/zinc/87/04/59/352870459.db2.gz SWWGMYQSRUGKOP-CQSZACIVSA-N 1 1 226.323 3.127 20 30 BGEDMO C=CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000334272890 352910760 /nfs/dbraw/zinc/91/07/60/352910760.db2.gz YCFWWEDPPBOKMA-JTQLQIEISA-N 1 1 233.277 3.227 20 30 BGEDMO C=CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000334272893 352910562 /nfs/dbraw/zinc/91/05/62/352910562.db2.gz YCFWWEDPPBOKMA-SNVBAGLBSA-N 1 1 233.277 3.227 20 30 BGEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC1(C#N)CC1 ZINC000334292513 352930062 /nfs/dbraw/zinc/93/00/62/352930062.db2.gz NUCCFIWDEOTCCN-DZGCQCFKSA-N 1 1 240.350 3.168 20 30 BGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC1(C#N)CC1 ZINC000334292514 352929894 /nfs/dbraw/zinc/92/98/94/352929894.db2.gz NUCCFIWDEOTCCN-HIFRSBDPSA-N 1 1 240.350 3.168 20 30 BGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC1(C#N)CC1 ZINC000334292515 352929939 /nfs/dbraw/zinc/92/99/39/352929939.db2.gz NUCCFIWDEOTCCN-UKRRQHHQSA-N 1 1 240.350 3.168 20 30 BGEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC1(C#N)CC1 ZINC000334292516 352929988 /nfs/dbraw/zinc/92/99/88/352929988.db2.gz NUCCFIWDEOTCCN-ZFWWWQNUSA-N 1 1 240.350 3.168 20 30 BGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCCC3(CCCC3)C2)C1 ZINC000334302831 352939034 /nfs/dbraw/zinc/93/90/34/352939034.db2.gz CQQUMZMLUIEVCB-KBPBESRZSA-N 1 1 232.371 3.335 20 30 BGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCCC3(CCCC3)C2)C1 ZINC000334302840 352939497 /nfs/dbraw/zinc/93/94/97/352939497.db2.gz CQQUMZMLUIEVCB-KGLIPLIRSA-N 1 1 232.371 3.335 20 30 BGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCCC3(CCCC3)C2)C1 ZINC000334302853 352939295 /nfs/dbraw/zinc/93/92/95/352939295.db2.gz CQQUMZMLUIEVCB-UONOGXRCSA-N 1 1 232.371 3.335 20 30 BGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCCC3(CCCC3)C2)C1 ZINC000334302859 352939466 /nfs/dbraw/zinc/93/94/66/352939466.db2.gz CQQUMZMLUIEVCB-ZIAGYGMSSA-N 1 1 232.371 3.335 20 30 BGEDMO N#CC1(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000334308697 352939964 /nfs/dbraw/zinc/93/99/64/352939964.db2.gz IDHRPRCZLGMRTB-AWEZNQCLSA-N 1 1 244.313 3.266 20 30 BGEDMO N#CC1(C[N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000334308697 352939963 /nfs/dbraw/zinc/93/99/63/352939963.db2.gz IDHRPRCZLGMRTB-AWEZNQCLSA-N 1 1 244.313 3.266 20 30 BGEDMO N#CC1(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000334308698 352940258 /nfs/dbraw/zinc/94/02/58/352940258.db2.gz IDHRPRCZLGMRTB-CQSZACIVSA-N 1 1 244.313 3.266 20 30 BGEDMO N#CC1(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000334308698 352940254 /nfs/dbraw/zinc/94/02/54/352940254.db2.gz IDHRPRCZLGMRTB-CQSZACIVSA-N 1 1 244.313 3.266 20 30 BGEDMO CC1CCC([N@@H+](C)Cc2nc(C#N)cs2)CC1 ZINC000334326523 343869737 /nfs/dbraw/zinc/86/97/37/343869737.db2.gz BMJSYFHMOFLXNZ-UHFFFAOYSA-N 1 1 249.383 3.025 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](C)(F)C1 ZINC000334391414 135386013 /nfs/dbraw/zinc/38/60/13/135386013.db2.gz VCQHFJGXKYVCSH-BXUZGUMPSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@](C)(F)C1 ZINC000334391415 135386256 /nfs/dbraw/zinc/38/62/56/135386256.db2.gz VCQHFJGXKYVCSH-FZMZJTMJSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@](C)(F)C1 ZINC000334391416 135386647 /nfs/dbraw/zinc/38/66/47/135386647.db2.gz VCQHFJGXKYVCSH-RISCZKNCSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](C)(F)C1 ZINC000334391417 135386102 /nfs/dbraw/zinc/38/61/02/135386102.db2.gz VCQHFJGXKYVCSH-SMDDNHRTSA-N 1 1 232.302 3.053 20 30 BGEDMO Cc1cc(F)ccc1C[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000334420768 135399993 /nfs/dbraw/zinc/39/99/93/135399993.db2.gz TUUCGHHAYLPRCC-WFASDCNBSA-N 1 1 246.329 3.258 20 30 BGEDMO N#CC1(C[N@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000334464237 386133069 /nfs/dbraw/zinc/13/30/69/386133069.db2.gz BJWALWNROIVUCY-LLVKDONJSA-N 1 1 232.352 3.189 20 30 BGEDMO N#CC1(C[N@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000334464239 181028899 /nfs/dbraw/zinc/02/88/99/181028899.db2.gz BJWALWNROIVUCY-NSHDSACASA-N 1 1 232.352 3.189 20 30 BGEDMO CC1(C)CCCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000334465979 386127562 /nfs/dbraw/zinc/12/75/62/386127562.db2.gz CUVQHCBOBLITIB-CHWSQXEVSA-N 1 1 220.360 3.191 20 30 BGEDMO CC1(C)CCCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000334465983 386127008 /nfs/dbraw/zinc/12/70/08/386127008.db2.gz CUVQHCBOBLITIB-OLZOCXBDSA-N 1 1 220.360 3.191 20 30 BGEDMO CC1(C)CCCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000334465986 386126561 /nfs/dbraw/zinc/12/65/61/386126561.db2.gz CUVQHCBOBLITIB-QWHCGFSZSA-N 1 1 220.360 3.191 20 30 BGEDMO CC1(C)CCCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000334465991 386126494 /nfs/dbraw/zinc/12/64/94/386126494.db2.gz CUVQHCBOBLITIB-STQMWFEESA-N 1 1 220.360 3.191 20 30 BGEDMO C=C(C)CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000334467059 386128505 /nfs/dbraw/zinc/12/85/05/386128505.db2.gz WCSPTFPZFAXIJR-INIZCTEOSA-N 1 1 243.350 3.084 20 30 BGEDMO C=C(C)CC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000334467062 386128585 /nfs/dbraw/zinc/12/85/85/386128585.db2.gz WCSPTFPZFAXIJR-MRXNPFEDSA-N 1 1 243.350 3.084 20 30 BGEDMO N#CC1(C[N@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000334496449 135449493 /nfs/dbraw/zinc/44/94/93/135449493.db2.gz DMGGHLHKGOZDCB-GFCCVEGCSA-N 1 1 232.352 3.189 20 30 BGEDMO N#CC1(C[N@@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000334496449 135449492 /nfs/dbraw/zinc/44/94/92/135449492.db2.gz DMGGHLHKGOZDCB-GFCCVEGCSA-N 1 1 232.352 3.189 20 30 BGEDMO N#CC1(C[N@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000334496450 386380687 /nfs/dbraw/zinc/38/06/87/386380687.db2.gz DMGGHLHKGOZDCB-LBPRGKRZSA-N 1 1 232.352 3.189 20 30 BGEDMO N#CC1(C[N@@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000334496450 386380682 /nfs/dbraw/zinc/38/06/82/386380682.db2.gz DMGGHLHKGOZDCB-LBPRGKRZSA-N 1 1 232.352 3.189 20 30 BGEDMO Cc1[nH+]ccn1CCC1(C#N)CCCCC1 ZINC000334553982 353998008 /nfs/dbraw/zinc/99/80/08/353998008.db2.gz OEOOLVZOUDSEPX-UHFFFAOYSA-N 1 1 217.316 3.056 20 30 BGEDMO Cc1[nH+]cn(CCC2(C#N)CCCCC2)c1C ZINC000334562622 354119024 /nfs/dbraw/zinc/11/90/24/354119024.db2.gz NVHHYZRMCFSTTO-UHFFFAOYSA-N 1 1 231.343 3.364 20 30 BGEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000334594091 343894955 /nfs/dbraw/zinc/89/49/55/343894955.db2.gz ZLRZFXTYQCZDLJ-GHMZBOCLSA-N 1 1 249.383 3.025 20 30 BGEDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000334594109 343895004 /nfs/dbraw/zinc/89/50/04/343895004.db2.gz ZLRZFXTYQCZDLJ-MNOVXSKESA-N 1 1 249.383 3.025 20 30 BGEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000334594111 343894690 /nfs/dbraw/zinc/89/46/90/343894690.db2.gz ZLRZFXTYQCZDLJ-QWRGUYRKSA-N 1 1 249.383 3.025 20 30 BGEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000334594113 343894925 /nfs/dbraw/zinc/89/49/25/343894925.db2.gz ZLRZFXTYQCZDLJ-WDEREUQCSA-N 1 1 249.383 3.025 20 30 BGEDMO C[N@@H+](CC(C)(C)C#N)[C@H]1CCc2ccc(F)cc21 ZINC000334620290 354357151 /nfs/dbraw/zinc/35/71/51/354357151.db2.gz QBPXXKDDYZGGCB-AWEZNQCLSA-N 1 1 246.329 3.295 20 30 BGEDMO C[N@H+](CC(C)(C)C#N)[C@H]1CCc2ccc(F)cc21 ZINC000334620290 354357148 /nfs/dbraw/zinc/35/71/48/354357148.db2.gz QBPXXKDDYZGGCB-AWEZNQCLSA-N 1 1 246.329 3.295 20 30 BGEDMO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCc2ccc(F)cc21 ZINC000334620291 354357259 /nfs/dbraw/zinc/35/72/59/354357259.db2.gz QBPXXKDDYZGGCB-CQSZACIVSA-N 1 1 246.329 3.295 20 30 BGEDMO C[N@H+](CC(C)(C)C#N)[C@@H]1CCc2ccc(F)cc21 ZINC000334620291 354357258 /nfs/dbraw/zinc/35/72/58/354357258.db2.gz QBPXXKDDYZGGCB-CQSZACIVSA-N 1 1 246.329 3.295 20 30 BGEDMO C=CC[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000334635940 398271267 /nfs/dbraw/zinc/27/12/67/398271267.db2.gz JAWUJDMGLAQHAT-HNNXBMFYSA-N 1 1 243.350 3.026 20 30 BGEDMO C=CC[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000334635942 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/nfs/dbraw/zinc/01/84/29/135018429.db2.gz JVDXNUPXUWLQFK-UHFFFAOYSA-N 1 1 240.709 3.215 20 30 BGEDMO C=CC[N@H+](C)Cc1ccc(Cl)cc1F ZINC000337505545 136278852 /nfs/dbraw/zinc/27/88/52/136278852.db2.gz OJMZKPGNGDHCLH-UHFFFAOYSA-N 1 1 213.683 3.097 20 30 BGEDMO C=CC[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000337505545 136278851 /nfs/dbraw/zinc/27/88/51/136278851.db2.gz OJMZKPGNGDHCLH-UHFFFAOYSA-N 1 1 213.683 3.097 20 30 BGEDMO CCc1cc(OC)ccc1C[NH2+][C@@H](CC)CC#N ZINC000337508506 536157053 /nfs/dbraw/zinc/15/70/53/536157053.db2.gz QHEMMTKESJBASR-AWEZNQCLSA-N 1 1 246.354 3.039 20 30 BGEDMO CCc1cc(OC)ccc1C[NH2+][C@H](CC)CC#N ZINC000337508507 536157167 /nfs/dbraw/zinc/15/71/67/536157167.db2.gz QHEMMTKESJBASR-CQSZACIVSA-N 1 1 246.354 3.039 20 30 BGEDMO C=CCCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337538453 135018843 /nfs/dbraw/zinc/01/88/43/135018843.db2.gz ZLWFLFXDVSHSSZ-JTQLQIEISA-N 1 1 203.276 3.072 20 30 BGEDMO C=CCCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337538453 135018842 /nfs/dbraw/zinc/01/88/42/135018842.db2.gz ZLWFLFXDVSHSSZ-JTQLQIEISA-N 1 1 203.276 3.072 20 30 BGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337538454 135019040 /nfs/dbraw/zinc/01/90/40/135019040.db2.gz ZLWFLFXDVSHSSZ-SNVBAGLBSA-N 1 1 203.276 3.072 20 30 BGEDMO C=CCCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337538454 135019038 /nfs/dbraw/zinc/01/90/38/135019038.db2.gz ZLWFLFXDVSHSSZ-SNVBAGLBSA-N 1 1 203.276 3.072 20 30 BGEDMO CCC[N@@H+](CC)Cc1cn2ccccc2c1C#N ZINC000337658032 169128511 /nfs/dbraw/zinc/12/85/11/169128511.db2.gz JLBSLJDADNVJBB-UHFFFAOYSA-N 1 1 241.338 3.043 20 30 BGEDMO CC(C)SCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000338254510 167322619 /nfs/dbraw/zinc/32/26/19/167322619.db2.gz VPEKCSLLGIOXNL-UHFFFAOYSA-N 1 1 248.395 3.132 20 30 BGEDMO C=CC[N@H+](CC)Cc1ccc(Cl)cc1 ZINC000338254707 135030698 /nfs/dbraw/zinc/03/06/98/135030698.db2.gz NZNHBPGTSHVBIZ-UHFFFAOYSA-N 1 1 209.720 3.348 20 30 BGEDMO CC(C)CC[N@H+](CCC#N)CCSC(C)C ZINC000338302616 135032680 /nfs/dbraw/zinc/03/26/80/135032680.db2.gz CMDROQLJOANZAA-UHFFFAOYSA-N 1 1 242.432 3.390 20 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CC#CCC[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338340795 135033577 /nfs/dbraw/zinc/03/35/77/135033577.db2.gz HGPBZUIFOWOUJW-UHFFFAOYSA-N 1 1 229.323 3.172 20 30 BGEDMO C[C@H](C1CCCCC1)[N@@H+](C)CCCC#N ZINC000338345056 135034510 /nfs/dbraw/zinc/03/45/10/135034510.db2.gz QHRFMFRDJCTJQE-GFCCVEGCSA-N 1 1 208.349 3.191 20 30 BGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CCCC#N ZINC000338345058 135035445 /nfs/dbraw/zinc/03/54/45/135035445.db2.gz QHRFMFRDJCTJQE-LBPRGKRZSA-N 1 1 208.349 3.191 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](CCCCC(F)(F)F)C1CC1 ZINC000338347463 135034780 /nfs/dbraw/zinc/03/47/80/135034780.db2.gz GWAZORCJGNLMGP-JTQLQIEISA-N 1 1 248.292 3.343 20 30 BGEDMO C[C@H](C#N)C[N@@H+](CCCCC(F)(F)F)C1CC1 ZINC000338347470 135034485 /nfs/dbraw/zinc/03/44/85/135034485.db2.gz GWAZORCJGNLMGP-SNVBAGLBSA-N 1 1 248.292 3.343 20 30 BGEDMO Cc1cccc(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000338347562 135034796 /nfs/dbraw/zinc/03/47/96/135034796.db2.gz HQACNPTUVPKRBG-CYBMUJFWSA-N 1 1 228.339 3.119 20 30 BGEDMO Cc1cccc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000338347562 135034794 /nfs/dbraw/zinc/03/47/94/135034794.db2.gz HQACNPTUVPKRBG-CYBMUJFWSA-N 1 1 228.339 3.119 20 30 BGEDMO Cc1cccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000338347564 135035532 /nfs/dbraw/zinc/03/55/32/135035532.db2.gz HQACNPTUVPKRBG-ZDUSSCGKSA-N 1 1 228.339 3.119 20 30 BGEDMO Cc1cccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000338347564 135035531 /nfs/dbraw/zinc/03/55/31/135035531.db2.gz HQACNPTUVPKRBG-ZDUSSCGKSA-N 1 1 228.339 3.119 20 30 BGEDMO C=CCC[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338348033 135035086 /nfs/dbraw/zinc/03/50/86/135035086.db2.gz XMVMTYJMPPEFLG-UHFFFAOYSA-N 1 1 217.312 3.335 20 30 BGEDMO Cc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000338348488 135035555 /nfs/dbraw/zinc/03/55/55/135035555.db2.gz LIXCSAQGCACWKJ-CYBMUJFWSA-N 1 1 228.339 3.119 20 30 BGEDMO Cc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000338348488 135035554 /nfs/dbraw/zinc/03/55/54/135035554.db2.gz LIXCSAQGCACWKJ-CYBMUJFWSA-N 1 1 228.339 3.119 20 30 BGEDMO 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Cc1cccc(C)c1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000338349272 135034637 /nfs/dbraw/zinc/03/46/37/135034637.db2.gz ANYWIBYSUBWROQ-GFCCVEGCSA-N 1 1 242.366 3.428 20 30 BGEDMO Cc1cccc(C)c1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000338349272 135034636 /nfs/dbraw/zinc/03/46/36/135034636.db2.gz ANYWIBYSUBWROQ-GFCCVEGCSA-N 1 1 242.366 3.428 20 30 BGEDMO Cc1cccc(C)c1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000338349273 135035271 /nfs/dbraw/zinc/03/52/71/135035271.db2.gz ANYWIBYSUBWROQ-LBPRGKRZSA-N 1 1 242.366 3.428 20 30 BGEDMO Cc1cccc(C)c1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000338349273 135035270 /nfs/dbraw/zinc/03/52/70/135035270.db2.gz ANYWIBYSUBWROQ-LBPRGKRZSA-N 1 1 242.366 3.428 20 30 BGEDMO Cc1ccc(C)c(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000338349861 135034664 /nfs/dbraw/zinc/03/46/64/135034664.db2.gz OBPFPFHTMGBLFF-CYBMUJFWSA-N 1 1 242.366 3.428 20 30 BGEDMO Cc1ccc(C)c(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000338349861 135034662 /nfs/dbraw/zinc/03/46/62/135034662.db2.gz OBPFPFHTMGBLFF-CYBMUJFWSA-N 1 1 242.366 3.428 20 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Cc1cc(C)cc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000338363766 135036406 /nfs/dbraw/zinc/03/64/06/135036406.db2.gz XTCWZBQHEJLNLA-CQSZACIVSA-N 1 1 242.366 3.428 20 30 BGEDMO C[C@H](C1CCCCC1)[N@@H+](C)CC1(C#N)CC1 ZINC000338375380 135034922 /nfs/dbraw/zinc/03/49/22/135034922.db2.gz ZYIDVHZBWPBFBH-GFCCVEGCSA-N 1 1 220.360 3.191 20 30 BGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CC1(C#N)CC1 ZINC000338375382 135035404 /nfs/dbraw/zinc/03/54/04/135035404.db2.gz ZYIDVHZBWPBFBH-LBPRGKRZSA-N 1 1 220.360 3.191 20 30 BGEDMO C=CCC[N@H+](C)Cc1c(Cl)cccc1OC ZINC000338380334 534769183 /nfs/dbraw/zinc/76/91/83/534769183.db2.gz XNSKNMXRSNVMTG-UHFFFAOYSA-N 1 1 239.746 3.357 20 30 BGEDMO Cc1ccc(CC[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000338390403 135036661 /nfs/dbraw/zinc/03/66/61/135036661.db2.gz XNGJFROTKVIWQQ-AWEZNQCLSA-N 1 1 242.366 3.162 20 30 BGEDMO Cc1ccc(CC[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000338390403 135036658 /nfs/dbraw/zinc/03/66/58/135036658.db2.gz XNGJFROTKVIWQQ-AWEZNQCLSA-N 1 1 242.366 3.162 20 30 BGEDMO Cc1ccc(CC[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000338390405 135035900 /nfs/dbraw/zinc/03/59/00/135035900.db2.gz XNGJFROTKVIWQQ-CQSZACIVSA-N 1 1 242.366 3.162 20 30 BGEDMO Cc1ccc(CC[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000338390405 135035898 /nfs/dbraw/zinc/03/58/98/135035898.db2.gz XNGJFROTKVIWQQ-CQSZACIVSA-N 1 1 242.366 3.162 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc(F)ccc1C ZINC000338538462 166256535 /nfs/dbraw/zinc/25/65/35/166256535.db2.gz BEXQGZKERZMTLH-UHFFFAOYSA-N 1 1 207.292 3.142 20 30 BGEDMO C=CCC[N@@H+](C)CCCOCc1ccccc1 ZINC000338538887 166255705 /nfs/dbraw/zinc/25/57/05/166255705.db2.gz ASHDXHWIRODVLE-UHFFFAOYSA-N 1 1 233.355 3.101 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000338539224 166256404 /nfs/dbraw/zinc/25/64/04/166256404.db2.gz DORJKJYDUUDCDF-UHFFFAOYSA-N 1 1 227.710 3.487 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(C)c(F)c1 ZINC000338539548 135039899 /nfs/dbraw/zinc/03/98/99/135039899.db2.gz IBEGVDHNPYGBRL-UHFFFAOYSA-N 1 1 207.292 3.142 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000338539555 534767129 /nfs/dbraw/zinc/76/71/29/534767129.db2.gz IDSVFZCBZQKPMR-UHFFFAOYSA-N 1 1 203.329 3.311 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000338540262 135040132 /nfs/dbraw/zinc/04/01/32/135040132.db2.gz MUWKUXJJMMPTSO-UHFFFAOYSA-N 1 1 227.710 3.487 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc(C)ccc1F ZINC000338540749 534767614 /nfs/dbraw/zinc/76/76/14/534767614.db2.gz BXXSJJZWQGWCMV-UHFFFAOYSA-N 1 1 207.292 3.142 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](OC)c1ccccc1 ZINC000338541702 386033927 /nfs/dbraw/zinc/03/39/27/386033927.db2.gz UNIHBWGSOIKCFG-CVEARBPZSA-N 1 1 245.366 3.415 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](OC)c1ccccc1 ZINC000338541703 386034593 /nfs/dbraw/zinc/03/45/93/386034593.db2.gz UNIHBWGSOIKCFG-HOTGVXAUSA-N 1 1 245.366 3.415 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](OC)c1ccccc1 ZINC000338541704 386033911 /nfs/dbraw/zinc/03/39/11/386033911.db2.gz UNIHBWGSOIKCFG-HZPDHXFCSA-N 1 1 245.366 3.415 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](OC)c1ccccc1 ZINC000338541705 386034438 /nfs/dbraw/zinc/03/44/38/386034438.db2.gz UNIHBWGSOIKCFG-JKSUJKDBSA-N 1 1 245.366 3.415 20 30 BGEDMO C=CCC[N@H+]1CCCc2ccccc2C1 ZINC000338542324 166263969 /nfs/dbraw/zinc/26/39/69/166263969.db2.gz YKMNMIGIOSTGAK-UHFFFAOYSA-N 1 1 201.313 3.011 20 30 BGEDMO C=CCC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000338542937 166265300 /nfs/dbraw/zinc/26/53/00/166265300.db2.gz VBNJMLBNISNXOE-SECBINFHSA-N 1 1 221.266 3.225 20 30 BGEDMO C=CCC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000338542938 166265532 /nfs/dbraw/zinc/26/55/32/166265532.db2.gz VBNJMLBNISNXOE-VIFPVBQESA-N 1 1 221.266 3.225 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000338543086 166258420 /nfs/dbraw/zinc/25/84/20/166258420.db2.gz WKNDOCVHFKNHNM-UHFFFAOYSA-N 1 1 207.292 3.142 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(F)cc1C ZINC000338543285 166259396 /nfs/dbraw/zinc/25/93/96/166259396.db2.gz LUODLKHFLJFGBW-UHFFFAOYSA-N 1 1 207.292 3.142 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc(C)ccc1C ZINC000338543394 166257909 /nfs/dbraw/zinc/25/79/09/166257909.db2.gz NRCQHIUTVWBCCM-UHFFFAOYSA-N 1 1 203.329 3.311 20 30 BGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000338543806 350693493 /nfs/dbraw/zinc/69/34/93/350693493.db2.gz DZNDPHIWDUVBQA-INIZCTEOSA-N 1 1 247.382 3.082 20 30 BGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000338543807 350693290 /nfs/dbraw/zinc/69/32/90/350693290.db2.gz DZNDPHIWDUVBQA-MRXNPFEDSA-N 1 1 247.382 3.082 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccccc1SC ZINC000338544255 135038395 /nfs/dbraw/zinc/03/83/95/135038395.db2.gz XXXXSMUKDPGSFL-UHFFFAOYSA-N 1 1 221.369 3.416 20 30 BGEDMO C=CCC[N@H+](C)[C@H](C)c1cccc(OC)c1 ZINC000338544666 534770559 /nfs/dbraw/zinc/77/05/59/534770559.db2.gz DNOQPUPGRKCHCX-GFCCVEGCSA-N 1 1 219.328 3.264 20 30 BGEDMO C=CCC[N@H+](C)[C@@H](C)c1cccc(OC)c1 ZINC000338544667 534770893 /nfs/dbraw/zinc/77/08/93/534770893.db2.gz DNOQPUPGRKCHCX-LBPRGKRZSA-N 1 1 219.328 3.264 20 30 BGEDMO C=CCC[N@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000338544814 135038443 /nfs/dbraw/zinc/03/84/43/135038443.db2.gz UNAZORPIRLMZFH-AWEZNQCLSA-N 1 1 233.355 3.272 20 30 BGEDMO C=CCC[N@H+](CCOC)[C@H](C)c1ccccc1 ZINC000338544816 135038371 /nfs/dbraw/zinc/03/83/71/135038371.db2.gz UNAZORPIRLMZFH-CQSZACIVSA-N 1 1 233.355 3.272 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(C)cc1C ZINC000338544835 135038845 /nfs/dbraw/zinc/03/88/45/135038845.db2.gz BMUNFEMHCAXVLX-UHFFFAOYSA-N 1 1 203.329 3.311 20 30 BGEDMO C=C(C)C[N@@H+](CC)C[C@H](OC)c1ccccc1 ZINC000338544984 533506403 /nfs/dbraw/zinc/50/64/03/533506403.db2.gz BUCGVPPVOXZBAR-HNNXBMFYSA-N 1 1 233.355 3.272 20 30 BGEDMO C=C(C)C[N@@H+](CC)C[C@@H](OC)c1ccccc1 ZINC000338544985 533506276 /nfs/dbraw/zinc/50/62/76/533506276.db2.gz BUCGVPPVOXZBAR-OAHLLOKOSA-N 1 1 233.355 3.272 20 30 BGEDMO C=CCC[N@H+](C)Cc1c(F)cccc1Cl ZINC000338545214 534767298 /nfs/dbraw/zinc/76/72/98/534767298.db2.gz GGMYOLAKTJJKNJ-UHFFFAOYSA-N 1 1 227.710 3.487 20 30 BGEDMO C=CCC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000338545214 534767288 /nfs/dbraw/zinc/76/72/88/534767288.db2.gz GGMYOLAKTJJKNJ-UHFFFAOYSA-N 1 1 227.710 3.487 20 30 BGEDMO C=CCC[N@H+](CC)[C@H](COC)Cc1ccccc1 ZINC000338545871 135039339 /nfs/dbraw/zinc/03/93/39/135039339.db2.gz CPQVCSWZZRCUDV-INIZCTEOSA-N 1 1 247.382 3.142 20 30 BGEDMO C=CCC[N@H+](CC)[C@@H](COC)Cc1ccccc1 ZINC000338545872 135039545 /nfs/dbraw/zinc/03/95/45/135039545.db2.gz CPQVCSWZZRCUDV-MRXNPFEDSA-N 1 1 247.382 3.142 20 30 BGEDMO C=CCC[N@H+](CC)Cc1ccc(OC)cc1OC ZINC000338546276 135039331 /nfs/dbraw/zinc/03/93/31/135039331.db2.gz LXOQNWYSCKIKRO-UHFFFAOYSA-N 1 1 249.354 3.102 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(OCC=C)cc1 ZINC000338546582 135038916 /nfs/dbraw/zinc/03/89/16/135038916.db2.gz OPTNBDOGRMSXGF-UHFFFAOYSA-N 1 1 231.339 3.259 20 30 BGEDMO C=CCC[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000338546773 135038425 /nfs/dbraw/zinc/03/84/25/135038425.db2.gz JTEQNTKROJYNIW-JTQLQIEISA-N 1 1 237.293 3.460 20 30 BGEDMO C=CCC[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000338546774 135039017 /nfs/dbraw/zinc/03/90/17/135039017.db2.gz JTEQNTKROJYNIW-SNVBAGLBSA-N 1 1 237.293 3.460 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc(C)ccc1OC ZINC000338546840 534767825 /nfs/dbraw/zinc/76/78/25/534767825.db2.gz QRVIYCRSMQCEQH-UHFFFAOYSA-N 1 1 219.328 3.012 20 30 BGEDMO C=CCC[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000338547369 135038557 /nfs/dbraw/zinc/03/85/57/135038557.db2.gz NEYQDRJKROJAFT-GFCCVEGCSA-N 1 1 201.313 3.009 20 30 BGEDMO C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000338547371 135039212 /nfs/dbraw/zinc/03/92/12/135039212.db2.gz NEYQDRJKROJAFT-LBPRGKRZSA-N 1 1 201.313 3.009 20 30 BGEDMO C=CCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000338547377 135039403 /nfs/dbraw/zinc/03/94/03/135039403.db2.gz NJBFAKSJZWSYGQ-AWEZNQCLSA-N 1 1 215.340 3.360 20 30 BGEDMO C=CCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000338547378 135038729 /nfs/dbraw/zinc/03/87/29/135038729.db2.gz NJBFAKSJZWSYGQ-CQSZACIVSA-N 1 1 215.340 3.360 20 30 BGEDMO C=CCC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC000338547838 534770306 /nfs/dbraw/zinc/77/03/06/534770306.db2.gz WESFJHPHVQNZID-LLVKDONJSA-N 1 1 207.292 3.395 20 30 BGEDMO C=CCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000338547839 534770098 /nfs/dbraw/zinc/77/00/98/534770098.db2.gz WESFJHPHVQNZID-NSHDSACASA-N 1 1 207.292 3.395 20 30 BGEDMO C=CCCC[N@H+](C)C[C@H](OC)c1ccccc1 ZINC000338547859 534707586 /nfs/dbraw/zinc/70/75/86/534707586.db2.gz PDBHUKPXECIRAA-HNNXBMFYSA-N 1 1 233.355 3.272 20 30 BGEDMO C=CCCC[N@H+](C)C[C@@H](OC)c1ccccc1 ZINC000338547860 534706188 /nfs/dbraw/zinc/70/61/88/534706188.db2.gz PDBHUKPXECIRAA-OAHLLOKOSA-N 1 1 233.355 3.272 20 30 BGEDMO C=CCC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000338548056 135038487 /nfs/dbraw/zinc/03/84/87/135038487.db2.gz VSQQIURBPRQKQA-HNNXBMFYSA-N 1 1 231.339 3.106 20 30 BGEDMO C=CCC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000338548057 135038455 /nfs/dbraw/zinc/03/84/55/135038455.db2.gz VSQQIURBPRQKQA-OAHLLOKOSA-N 1 1 231.339 3.106 20 30 BGEDMO C=CCC[N@@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000338548285 534774146 /nfs/dbraw/zinc/77/41/46/534774146.db2.gz RSLYMIIFIZRHFS-UHFFFAOYSA-N 1 1 243.350 3.360 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(OCC)c(OC)c1 ZINC000338548689 135039344 /nfs/dbraw/zinc/03/93/44/135039344.db2.gz WSBXTOFYLMMCNC-UHFFFAOYSA-N 1 1 249.354 3.102 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(Cl)cc1F ZINC000338549343 135038828 /nfs/dbraw/zinc/03/88/28/135038828.db2.gz RBZWTBPADQFRBD-UHFFFAOYSA-N 1 1 227.710 3.487 20 30 BGEDMO C=CCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000338549787 534774927 /nfs/dbraw/zinc/77/49/27/534774927.db2.gz XRNNHUKWKKRPDB-UHFFFAOYSA-N 1 1 231.314 3.491 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000338550084 135040075 /nfs/dbraw/zinc/04/00/75/135040075.db2.gz LENHLZGVSLQJQX-AAEUAGOBSA-N 1 1 219.328 3.411 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000338550085 135040050 /nfs/dbraw/zinc/04/00/50/135040050.db2.gz LENHLZGVSLQJQX-DGCLKSJQSA-N 1 1 219.328 3.411 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000338550086 135040098 /nfs/dbraw/zinc/04/00/98/135040098.db2.gz LENHLZGVSLQJQX-WCQYABFASA-N 1 1 219.328 3.411 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000338550087 135039989 /nfs/dbraw/zinc/03/99/89/135039989.db2.gz LENHLZGVSLQJQX-YPMHNXCESA-N 1 1 219.328 3.411 20 30 BGEDMO C=CCC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000338563352 166263335 /nfs/dbraw/zinc/26/33/35/166263335.db2.gz KTULPNMCAUAJCO-UHFFFAOYSA-N 1 1 221.731 3.274 20 30 BGEDMO C=CCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000338563638 166265155 /nfs/dbraw/zinc/26/51/55/166265155.db2.gz NCFYTESOWPPZTO-LLVKDONJSA-N 1 1 237.293 3.330 20 30 BGEDMO C=CCC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000338563639 166263224 /nfs/dbraw/zinc/26/32/24/166263224.db2.gz NCFYTESOWPPZTO-NSHDSACASA-N 1 1 237.293 3.330 20 30 BGEDMO C=CCC[N@H+]1CCSC(CC)(CC)C1 ZINC000338564586 166263746 /nfs/dbraw/zinc/26/37/46/166263746.db2.gz ALOVFGWIZPMXRD-UHFFFAOYSA-N 1 1 213.390 3.170 20 30 BGEDMO C=CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000338564671 166261118 /nfs/dbraw/zinc/26/11/18/166261118.db2.gz SKHLFEJIVADZMU-UHFFFAOYSA-N 1 1 246.310 3.135 20 30 BGEDMO C=CCC[N@H+]1CCc2cc(OCC)ccc2C1 ZINC000338566454 135040902 /nfs/dbraw/zinc/04/09/02/135040902.db2.gz QUVQCINHSZGJRL-UHFFFAOYSA-N 1 1 231.339 3.020 20 30 BGEDMO C=CCC[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000338567205 135040759 /nfs/dbraw/zinc/04/07/59/135040759.db2.gz VZWAHDRRTQZZIX-UHFFFAOYSA-N 1 1 233.355 3.482 20 30 BGEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@@](C)(O)CC ZINC000338568969 534774194 /nfs/dbraw/zinc/77/41/94/534774194.db2.gz OYFCWAZJFAQDSR-INIZCTEOSA-N 1 1 247.382 3.226 20 30 BGEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@](C)(O)CC ZINC000338568971 534774662 /nfs/dbraw/zinc/77/46/62/534774662.db2.gz OYFCWAZJFAQDSR-MRXNPFEDSA-N 1 1 247.382 3.226 20 30 BGEDMO C=CCC[N@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000338569074 135041398 /nfs/dbraw/zinc/04/13/98/135041398.db2.gz PQQMUSCXJHKXCM-DZGCQCFKSA-N 1 1 231.339 3.025 20 30 BGEDMO C=CCC[N@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000338569077 135041006 /nfs/dbraw/zinc/04/10/06/135041006.db2.gz PQQMUSCXJHKXCM-HIFRSBDPSA-N 1 1 231.339 3.025 20 30 BGEDMO C=CCC[N@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000338569079 135040741 /nfs/dbraw/zinc/04/07/41/135040741.db2.gz PQQMUSCXJHKXCM-UKRRQHHQSA-N 1 1 231.339 3.025 20 30 BGEDMO C=CCC[N@@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000338569080 135040907 /nfs/dbraw/zinc/04/09/07/135040907.db2.gz PQQMUSCXJHKXCM-ZFWWWQNUSA-N 1 1 231.339 3.025 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000338570153 135040536 /nfs/dbraw/zinc/04/05/36/135040536.db2.gz YJIFYUHTWKGQTI-UHFFFAOYSA-N 1 1 227.710 3.487 20 30 BGEDMO C=CCC[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000338571894 135041035 /nfs/dbraw/zinc/04/10/35/135041035.db2.gz MVGCXMOZLKAGGH-UHFFFAOYSA-N 1 1 215.340 3.238 20 30 BGEDMO C=CCC[N@H+](C)CC1(c2ccccc2)CC1 ZINC000338572085 135041143 /nfs/dbraw/zinc/04/11/43/135041143.db2.gz RWNLNQGEFNFNBE-UHFFFAOYSA-N 1 1 215.340 3.226 20 30 BGEDMO C=CCC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000338572263 135040827 /nfs/dbraw/zinc/04/08/27/135040827.db2.gz OYXBAMJDSGOZCF-UHFFFAOYSA-N 1 1 226.323 3.102 20 30 BGEDMO C=CCC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000338572263 135040824 /nfs/dbraw/zinc/04/08/24/135040824.db2.gz OYXBAMJDSGOZCF-UHFFFAOYSA-N 1 1 226.323 3.102 20 30 BGEDMO C=CCC[N@H+](C)[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000338572301 534770938 /nfs/dbraw/zinc/77/09/38/534770938.db2.gz PXDWMDCEOPDRMD-CHWSQXEVSA-N 1 1 225.376 3.088 20 30 BGEDMO C=CCC[N@H+](C)[C@@H]1C[C@H](OC)C1(CC)CC ZINC000338572302 534771065 /nfs/dbraw/zinc/77/10/65/534771065.db2.gz PXDWMDCEOPDRMD-OLZOCXBDSA-N 1 1 225.376 3.088 20 30 BGEDMO C=CCC[N@H+](C)[C@H]1C[C@@H](OC)C1(CC)CC ZINC000338572303 534771055 /nfs/dbraw/zinc/77/10/55/534771055.db2.gz PXDWMDCEOPDRMD-QWHCGFSZSA-N 1 1 225.376 3.088 20 30 BGEDMO C=CCC[N@H+](C)[C@H]1C[C@H](OC)C1(CC)CC ZINC000338572304 534770386 /nfs/dbraw/zinc/77/03/86/534770386.db2.gz PXDWMDCEOPDRMD-STQMWFEESA-N 1 1 225.376 3.088 20 30 BGEDMO C=CCC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000338574017 135041358 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BGEDMO CC[C@@]1(C)CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340871972 171200627 /nfs/dbraw/zinc/20/06/27/171200627.db2.gz NTBNSWGMEDLMBV-HNNXBMFYSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[C@]1(C)CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340871986 384733387 /nfs/dbraw/zinc/73/33/87/384733387.db2.gz NTBNSWGMEDLMBV-OAHLLOKOSA-N 1 1 246.329 3.319 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](COCC)C1 ZINC000340877389 135230543 /nfs/dbraw/zinc/23/05/43/135230543.db2.gz RYHGMYPQWVDWGT-KGLIPLIRSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](COCC)C1 ZINC000340877391 135230520 /nfs/dbraw/zinc/23/05/20/135230520.db2.gz RYHGMYPQWVDWGT-ZIAGYGMSSA-N 1 1 225.376 3.090 20 30 BGEDMO CC[N@@H+](Cc1cccc(C#N)c1F)C1CCC1 ZINC000340877438 346267512 /nfs/dbraw/zinc/26/75/12/346267512.db2.gz SGDIYXCZGVZZON-UHFFFAOYSA-N 1 1 232.302 3.072 20 30 BGEDMO C[C@@H]([N@@H+](C)Cc1cccc(C#N)c1F)C1(C)CC1 ZINC000340880935 385175999 /nfs/dbraw/zinc/17/59/99/385175999.db2.gz VFXDNFLWYQIDFP-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H]([N@@H+](C)Cc1cccc(C#N)c1F)C1(C)CC1 ZINC000340880948 385208904 /nfs/dbraw/zinc/20/89/04/385208904.db2.gz VFXDNFLWYQIDFP-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(C#N)c1F ZINC000340887581 177186800 /nfs/dbraw/zinc/18/68/00/177186800.db2.gz ZTDJYQVLSMVUGX-PHIMTYICSA-N 1 1 232.302 3.070 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000340890656 534756312 /nfs/dbraw/zinc/75/63/12/534756312.db2.gz HJIMDEBCUXGSDC-DZGCQCFKSA-N 1 1 249.354 3.398 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000340890658 135231767 /nfs/dbraw/zinc/23/17/67/135231767.db2.gz HJIMDEBCUXGSDC-UKRRQHHQSA-N 1 1 249.354 3.398 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC2(C1)CCOCC2 ZINC000340897530 135230260 /nfs/dbraw/zinc/23/02/60/135230260.db2.gz NZDKSLKTUDCLLR-AWEZNQCLSA-N 1 1 237.387 3.234 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC2(C1)CCOCC2 ZINC000340897532 135230889 /nfs/dbraw/zinc/23/08/89/135230889.db2.gz NZDKSLKTUDCLLR-CQSZACIVSA-N 1 1 237.387 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3.090 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](C)C[C@H]1CCCOC1 ZINC000340927409 135231365 /nfs/dbraw/zinc/23/13/65/135231365.db2.gz SFISVZVHNQUNJQ-ZIAGYGMSSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1ccoc1 ZINC000340948947 135231599 /nfs/dbraw/zinc/23/15/99/135231599.db2.gz LHBQTBKHJVFOQY-GFCCVEGCSA-N 1 1 207.317 3.456 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1ccoc1 ZINC000340948948 135231673 /nfs/dbraw/zinc/23/16/73/135231673.db2.gz LHBQTBKHJVFOQY-LBPRGKRZSA-N 1 1 207.317 3.456 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000340951153 135231488 /nfs/dbraw/zinc/23/14/88/135231488.db2.gz NKPPLBBSEJPICH-HUUCEWRRSA-N 1 1 247.386 3.265 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000340951156 534756097 /nfs/dbraw/zinc/75/60/97/534756097.db2.gz NKPPLBBSEJPICH-LSDHHAIUSA-N 1 1 247.386 3.265 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000340952270 135231538 /nfs/dbraw/zinc/23/15/38/135231538.db2.gz PGIPQFLHSISYQU-KGLIPLIRSA-N 1 1 225.376 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C=CCCC[C@@H](C)[N@@H+](C)CC1CCOCC1 ZINC000341129502 135234860 /nfs/dbraw/zinc/23/48/60/135234860.db2.gz QEPCEKXWNFUMQQ-CYBMUJFWSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](C)CC1CCOCC1 ZINC000341129505 135234676 /nfs/dbraw/zinc/23/46/76/135234676.db2.gz QEPCEKXWNFUMQQ-ZDUSSCGKSA-N 1 1 225.376 3.090 20 30 BGEDMO CC1(C)CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000341192878 346978511 /nfs/dbraw/zinc/97/85/11/346978511.db2.gz SBBMWLKQDAJZLQ-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO C=CCCN(C)c1cc[nH+]c2ccsc21 ZINC000341453447 534772494 /nfs/dbraw/zinc/77/24/94/534772494.db2.gz BCFYJWRKLBRAFO-UHFFFAOYSA-N 1 1 218.325 3.309 20 30 BGEDMO C=CCCC[N@H+](C)Cc1nc2cccnc2s1 ZINC000341579727 534710198 /nfs/dbraw/zinc/71/01/98/534710198.db2.gz FTMJNQSPLRBVEF-UHFFFAOYSA-N 1 1 247.367 3.089 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1nc2cccnc2s1 ZINC000341624515 135241240 /nfs/dbraw/zinc/24/12/40/135241240.db2.gz GKTDHGDKTSSFCR-UHFFFAOYSA-N 1 1 247.367 3.089 20 30 BGEDMO C=CCCC[N@H+](C)C1CC(OC(C)(C)C)C1 ZINC000341626980 135241386 /nfs/dbraw/zinc/24/13/86/135241386.db2.gz PFRLGXTWINUVSG-UHFFFAOYSA-N 1 1 225.376 3.231 20 30 BGEDMO C=CCCC[N@H+](C)[C@H]1C[C@H](OCC)C12CCC2 ZINC000341630759 534714260 /nfs/dbraw/zinc/71/42/60/534714260.db2.gz ULMAUFIZAMGZPK-KBPBESRZSA-N 1 1 237.387 3.232 20 30 BGEDMO C=CCCC[N@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000341630760 534711234 /nfs/dbraw/zinc/71/12/34/534711234.db2.gz ULMAUFIZAMGZPK-KGLIPLIRSA-N 1 1 237.387 3.232 20 30 BGEDMO C=CCCC[N@H+](C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC000341630761 534713415 /nfs/dbraw/zinc/71/34/15/534713415.db2.gz ULMAUFIZAMGZPK-UONOGXRCSA-N 1 1 237.387 3.232 20 30 BGEDMO C=CCCC[N@H+](C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000341630762 534710828 /nfs/dbraw/zinc/71/08/28/534710828.db2.gz ULMAUFIZAMGZPK-ZIAGYGMSSA-N 1 1 237.387 3.232 20 30 BGEDMO CC(C)C[N@@H+](CCCC#N)CCc1ccccc1 ZINC000341721541 135242614 /nfs/dbraw/zinc/24/26/14/135242614.db2.gz LUPKGLMKYNCIHN-UHFFFAOYSA-N 1 1 244.382 3.491 20 30 BGEDMO C=CCCC[N@H+](CC(F)F)CC1CCC1 ZINC000341756761 534714865 /nfs/dbraw/zinc/71/48/65/534714865.db2.gz UYJLWAGKUCVOKR-UHFFFAOYSA-N 1 1 217.303 3.320 20 30 BGEDMO C=CCCC[N@@H+](CC(F)F)CC1CCC1 ZINC000341756761 534714858 /nfs/dbraw/zinc/71/48/58/534714858.db2.gz UYJLWAGKUCVOKR-UHFFFAOYSA-N 1 1 217.303 3.320 20 30 BGEDMO N#CCCCC[N@H+](CC(F)F)CC1CCC1 ZINC000341763328 135242235 /nfs/dbraw/zinc/24/22/35/135242235.db2.gz NKTYKIRWHMTVKX-UHFFFAOYSA-N 1 1 230.302 3.047 20 30 BGEDMO N#CCCCC[N@@H+](CC(F)F)CC1CCC1 ZINC000341763328 135242233 /nfs/dbraw/zinc/24/22/33/135242233.db2.gz NKTYKIRWHMTVKX-UHFFFAOYSA-N 1 1 230.302 3.047 20 30 BGEDMO CC(C)CC[N@H+](CCC#N)CCCCCF ZINC000341885108 135243749 /nfs/dbraw/zinc/24/37/49/135243749.db2.gz UCJKABHCHBHVKK-UHFFFAOYSA-N 1 1 228.355 3.388 20 30 BGEDMO CC(C)(C)C[N@H+](CCC#N)CCCCCF ZINC000341894661 386996167 /nfs/dbraw/zinc/99/61/67/386996167.db2.gz UZLYMMWRGYADHQ-UHFFFAOYSA-N 1 1 228.355 3.388 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(C(F)(F)F)cn1 ZINC000341913539 135244473 /nfs/dbraw/zinc/24/44/73/135244473.db2.gz UILIVRFLNPGRGK-UHFFFAOYSA-N 1 1 244.260 3.108 20 30 BGEDMO C=CCC[C@H]([NH2+]CCCN(C)C)c1ccccc1 ZINC000341932599 135244893 /nfs/dbraw/zinc/24/48/93/135244893.db2.gz RBRAFCKGCLPOKZ-INIZCTEOSA-N 1 1 246.398 3.235 20 30 BGEDMO C=CCC[C@@H]([NH2+]CCCN(C)C)c1ccccc1 ZINC000341932600 534796205 /nfs/dbraw/zinc/79/62/05/534796205.db2.gz RBRAFCKGCLPOKZ-MRXNPFEDSA-N 1 1 246.398 3.235 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341983153 166246668 /nfs/dbraw/zinc/24/66/68/166246668.db2.gz DYTGFEHSAGBPBR-CABCVRRESA-N 1 1 237.387 3.234 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341983155 166246581 /nfs/dbraw/zinc/24/65/81/166246581.db2.gz DYTGFEHSAGBPBR-GJZGRUSLSA-N 1 1 237.387 3.234 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341983157 166246670 /nfs/dbraw/zinc/24/66/70/166246670.db2.gz DYTGFEHSAGBPBR-HUUCEWRRSA-N 1 1 237.387 3.234 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341983159 166245746 /nfs/dbraw/zinc/24/57/46/166245746.db2.gz DYTGFEHSAGBPBR-LSDHHAIUSA-N 1 1 237.387 3.234 20 30 BGEDMO C=CCC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000341985426 166265669 /nfs/dbraw/zinc/26/56/69/166265669.db2.gz XLHSEIRTHGEZCU-UHFFFAOYSA-N 1 1 213.324 3.352 20 30 BGEDMO CC(C)C[C@H]1CCC[N@H+]1CCCSCC#N ZINC000342096515 535326933 /nfs/dbraw/zinc/32/69/33/535326933.db2.gz INCIMHFEIOQHHZ-CYBMUJFWSA-N 1 1 240.416 3.144 20 30 BGEDMO CC(C)C[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000342096518 535284190 /nfs/dbraw/zinc/28/41/90/535284190.db2.gz INCIMHFEIOQHHZ-ZDUSSCGKSA-N 1 1 240.416 3.144 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(C(F)(F)F)cn1 ZINC000342125085 135248348 /nfs/dbraw/zinc/24/83/48/135248348.db2.gz ILNOWTMLXLDFFA-UHFFFAOYSA-N 1 1 244.260 3.108 20 30 BGEDMO CC(C)([NH2+]CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000342135967 135249035 /nfs/dbraw/zinc/24/90/35/135249035.db2.gz USUSBCKRNJMSQL-UHFFFAOYSA-N 1 1 248.757 3.468 20 30 BGEDMO C=CC[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000342160022 534818857 /nfs/dbraw/zinc/81/88/57/534818857.db2.gz HWLQVTHWXYJAPB-INIZCTEOSA-N 1 1 243.350 3.143 20 30 BGEDMO C=CC[N@@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000342160022 534818853 /nfs/dbraw/zinc/81/88/53/534818853.db2.gz HWLQVTHWXYJAPB-INIZCTEOSA-N 1 1 243.350 3.143 20 30 BGEDMO C=CC[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342160032 534817442 /nfs/dbraw/zinc/81/74/42/534817442.db2.gz HWLQVTHWXYJAPB-MRXNPFEDSA-N 1 1 243.350 3.143 20 30 BGEDMO C=CC[N@@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342160032 534817435 /nfs/dbraw/zinc/81/74/35/534817435.db2.gz HWLQVTHWXYJAPB-MRXNPFEDSA-N 1 1 243.350 3.143 20 30 BGEDMO CC/C=C\CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000342228369 356325713 /nfs/dbraw/zinc/32/57/13/356325713.db2.gz CYEVZOIUHFFTNP-PLNGDYQASA-N 1 1 228.339 3.346 20 30 BGEDMO CC/C=C\CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000342239125 356324586 /nfs/dbraw/zinc/32/45/86/356324586.db2.gz QZNKCVHFEWCAEK-PLNGDYQASA-N 1 1 228.339 3.346 20 30 BGEDMO CC[C@H]1Cc2ccccc2C[N@H+]1CC1(C#N)CC1 ZINC000342340620 135265033 /nfs/dbraw/zinc/26/50/33/135265033.db2.gz RMIDRMUSHGBQCZ-HNNXBMFYSA-N 1 1 240.350 3.127 20 30 BGEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CC1(C#N)CC1 ZINC000342340621 135265344 /nfs/dbraw/zinc/26/53/44/135265344.db2.gz RMIDRMUSHGBQCZ-OAHLLOKOSA-N 1 1 240.350 3.127 20 30 BGEDMO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CC ZINC000342353510 534855256 /nfs/dbraw/zinc/85/52/56/534855256.db2.gz ZNYBCWFTQIRYCI-AWEZNQCLSA-N 1 1 201.313 3.009 20 30 BGEDMO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CC ZINC000342353511 534854953 /nfs/dbraw/zinc/85/49/53/534854953.db2.gz ZNYBCWFTQIRYCI-CQSZACIVSA-N 1 1 201.313 3.009 20 30 BGEDMO CC(C)c1[nH+]ccn1Cc1ccc(CC#N)cc1 ZINC000342502039 388497984 /nfs/dbraw/zinc/49/79/84/388497984.db2.gz FKJZHKXKWVNJKB-UHFFFAOYSA-N 1 1 239.322 3.121 20 30 BGEDMO C=CC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000342593707 135300334 /nfs/dbraw/zinc/30/03/34/135300334.db2.gz NAQUCUZQXLDINU-UHFFFAOYSA-N 1 1 219.303 3.019 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342603295 135301757 /nfs/dbraw/zinc/30/17/57/135301757.db2.gz MEMNOKKLEJJYCY-KBPBESRZSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342603297 135302279 /nfs/dbraw/zinc/30/22/79/135302279.db2.gz MEMNOKKLEJJYCY-KGLIPLIRSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342603299 135301877 /nfs/dbraw/zinc/30/18/77/135301877.db2.gz MEMNOKKLEJJYCY-UONOGXRCSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342603301 135301779 /nfs/dbraw/zinc/30/17/79/135301779.db2.gz MEMNOKKLEJJYCY-ZIAGYGMSSA-N 1 1 225.376 3.232 20 30 BGEDMO C=C(CC)C[N@@H+](Cc1ccccc1)[C@@H](CC)CO ZINC000342639873 534378862 /nfs/dbraw/zinc/37/88/62/534378862.db2.gz WNFFHFSYDNRTBS-INIZCTEOSA-N 1 1 247.382 3.226 20 30 BGEDMO C=C(CC)C[N@@H+](Cc1ccccc1)[C@H](CC)CO ZINC000342639874 534377056 /nfs/dbraw/zinc/37/70/56/534377056.db2.gz WNFFHFSYDNRTBS-MRXNPFEDSA-N 1 1 247.382 3.226 20 30 BGEDMO C=CCCC[N@@H+](Cc1ccccc1)[C@@H](CC)CO ZINC000342656467 135308061 /nfs/dbraw/zinc/30/80/61/135308061.db2.gz JSKSFRFPRXVWDH-INIZCTEOSA-N 1 1 247.382 3.226 20 30 BGEDMO C=CCCC[N@@H+](Cc1ccccc1)[C@H](CC)CO ZINC000342656468 135307774 /nfs/dbraw/zinc/30/77/74/135307774.db2.gz JSKSFRFPRXVWDH-MRXNPFEDSA-N 1 1 247.382 3.226 20 30 BGEDMO CC(C)C[N@@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000342657291 388497732 /nfs/dbraw/zinc/49/77/32/388497732.db2.gz FJBKGZUNVOOZSR-UHFFFAOYSA-N 1 1 242.366 3.373 20 30 BGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)CC1 ZINC000342659084 388497883 /nfs/dbraw/zinc/49/78/83/388497883.db2.gz GVZXXAPONIFZRD-AWEZNQCLSA-N 1 1 242.366 3.375 20 30 BGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)CC1 ZINC000342659085 385152462 /nfs/dbraw/zinc/15/24/62/385152462.db2.gz GVZXXAPONIFZRD-CQSZACIVSA-N 1 1 242.366 3.375 20 30 BGEDMO C[N@H+](Cc1ccc(CC#N)cc1)CC1CCCC1 ZINC000342661401 136223451 /nfs/dbraw/zinc/22/34/51/136223451.db2.gz JWTHHTBAHWPIQR-UHFFFAOYSA-N 1 1 242.366 3.375 20 30 BGEDMO CC(C)[N@@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000342671901 535091618 /nfs/dbraw/zinc/09/16/18/535091618.db2.gz TYUURYDXNBGSRG-UHFFFAOYSA-N 1 1 228.339 3.125 20 30 BGEDMO C=CC[N@H+](Cc1ccccc1)C[C@@H]1CCCOC1 ZINC000342672891 135309485 /nfs/dbraw/zinc/30/94/85/135309485.db2.gz ISEAILDYEWGQKX-INIZCTEOSA-N 1 1 245.366 3.101 20 30 BGEDMO C=CC[N@H+](Cc1ccccc1)C[C@H]1CCCOC1 ZINC000342672895 135309223 /nfs/dbraw/zinc/30/92/23/135309223.db2.gz ISEAILDYEWGQKX-MRXNPFEDSA-N 1 1 245.366 3.101 20 30 BGEDMO CC[N@@H+](CCC#N)C[C@@H](C)CCc1ccccc1 ZINC000342677817 135303868 /nfs/dbraw/zinc/30/38/68/135303868.db2.gz FQSWUYRCPWWVTI-HNNXBMFYSA-N 1 1 244.382 3.491 20 30 BGEDMO CC[N@@H+](CCC#N)C[C@H](C)CCc1ccccc1 ZINC000342677818 135303760 /nfs/dbraw/zinc/30/37/60/135303760.db2.gz FQSWUYRCPWWVTI-OAHLLOKOSA-N 1 1 244.382 3.491 20 30 BGEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000342689317 388498387 /nfs/dbraw/zinc/49/83/87/388498387.db2.gz DVGUXVYNWBGZBJ-AWEZNQCLSA-N 1 1 242.366 3.375 20 30 BGEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000342689318 388498528 /nfs/dbraw/zinc/49/85/28/388498528.db2.gz DVGUXVYNWBGZBJ-CQSZACIVSA-N 1 1 242.366 3.375 20 30 BGEDMO C[N@@H+](Cc1ccc(CC#N)cc1)C1CCCC1 ZINC000342689947 365557157 /nfs/dbraw/zinc/55/71/57/365557157.db2.gz GFTMLEDCABMKSO-UHFFFAOYSA-N 1 1 228.339 3.127 20 30 BGEDMO CC[N@H+](Cc1ccc(CC#N)cc1)CC(C)C ZINC000342698381 135446365 /nfs/dbraw/zinc/44/63/65/135446365.db2.gz TVUMTNOKKQSTKO-UHFFFAOYSA-N 1 1 230.355 3.231 20 30 BGEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000342699240 535160499 /nfs/dbraw/zinc/16/04/99/535160499.db2.gz VYJMJRSKYICZMR-CYBMUJFWSA-N 1 1 230.355 3.229 20 30 BGEDMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000342699256 388499390 /nfs/dbraw/zinc/49/93/90/388499390.db2.gz VYJMJRSKYICZMR-ZDUSSCGKSA-N 1 1 230.355 3.229 20 30 BGEDMO C=C(CC)C[N@H+]1CCCC[C@@H](CCOC)C1 ZINC000342707079 534381776 /nfs/dbraw/zinc/38/17/76/534381776.db2.gz WEJNOSXNFUQJCP-AWEZNQCLSA-N 1 1 225.376 3.091 20 30 BGEDMO C=C(CC)C[N@H+]1CCCC[C@H](CCOC)C1 ZINC000342707081 534386667 /nfs/dbraw/zinc/38/66/67/534386667.db2.gz WEJNOSXNFUQJCP-CQSZACIVSA-N 1 1 225.376 3.091 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1ccc(CC#N)cc1 ZINC000342711890 135313716 /nfs/dbraw/zinc/31/37/16/135313716.db2.gz AQGSLBFVPVGJAQ-UHFFFAOYSA-N 1 1 228.339 3.151 20 30 BGEDMO C=CCC[N@H+](C)Cc1csc(CCC)n1 ZINC000342718141 135313603 /nfs/dbraw/zinc/31/36/03/135313603.db2.gz HPRNJCOSJPGOJJ-UHFFFAOYSA-N 1 1 224.373 3.104 20 30 BGEDMO C=CCC[N@@H+](C)Cc1csc(CCC)n1 ZINC000342718141 135313601 /nfs/dbraw/zinc/31/36/01/135313601.db2.gz HPRNJCOSJPGOJJ-UHFFFAOYSA-N 1 1 224.373 3.104 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(F)c2cccnc12 ZINC000342718216 135314000 /nfs/dbraw/zinc/31/40/00/135314000.db2.gz IHEIYQXLIFSLDK-UHFFFAOYSA-N 1 1 244.313 3.382 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000342719358 135314824 /nfs/dbraw/zinc/31/48/24/135314824.db2.gz IITVXLHHFUZSPS-UHFFFAOYSA-N 1 1 234.730 3.220 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc(C)sc1C ZINC000342721431 135315025 /nfs/dbraw/zinc/31/50/25/135315025.db2.gz LWXQAVZCGAYEQJ-UHFFFAOYSA-N 1 1 209.358 3.373 20 30 BGEDMO C=CCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000342721505 534770214 /nfs/dbraw/zinc/77/02/14/534770214.db2.gz NCICVPFJLKZVCZ-LLVKDONJSA-N 1 1 234.299 3.164 20 30 BGEDMO C=CCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000342721507 534770571 /nfs/dbraw/zinc/77/05/71/534770571.db2.gz NCICVPFJLKZVCZ-NSHDSACASA-N 1 1 234.299 3.164 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC000342724420 135314766 /nfs/dbraw/zinc/31/47/66/135314766.db2.gz QQXOOSYINRUIKP-UHFFFAOYSA-N 1 1 215.340 3.183 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(OC)cc1Cl ZINC000342724470 135314433 /nfs/dbraw/zinc/31/44/33/135314433.db2.gz COSMFMXJENVPJL-UHFFFAOYSA-N 1 1 239.746 3.357 20 30 BGEDMO C=CCC[N@H+](C)CCc1cccc(F)c1F ZINC000342725918 534768439 /nfs/dbraw/zinc/76/84/39/534768439.db2.gz SMRCFXBAOJPYKS-UHFFFAOYSA-N 1 1 225.282 3.015 20 30 BGEDMO C=CCC[N@@H+](C)CCCCC(=O)OC(C)(C)C ZINC000342727525 534769146 /nfs/dbraw/zinc/76/91/46/534769146.db2.gz 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BGEDMO C=CCC[N@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000343447371 353891811 /nfs/dbraw/zinc/89/18/11/353891811.db2.gz SPSHRDRDCHTIMT-LSDHHAIUSA-N 1 1 215.340 3.298 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000343447939 353891771 /nfs/dbraw/zinc/89/17/71/353891771.db2.gz UBVYYHUSLJDQHL-UHFFFAOYSA-N 1 1 245.366 3.408 20 30 BGEDMO C=CCC[N@H+](C)Cc1cccc(C)c1C ZINC000343449332 353892456 /nfs/dbraw/zinc/89/24/56/353892456.db2.gz WCOYCXLONGHEDW-UHFFFAOYSA-N 1 1 203.329 3.311 20 30 BGEDMO C=CCC[N@H+](C)Cc1cccc(OCC=C)c1 ZINC000343459450 353895890 /nfs/dbraw/zinc/89/58/90/353895890.db2.gz DFGVSCGTAUIWNB-UHFFFAOYSA-N 1 1 231.339 3.259 20 30 BGEDMO C=CC[C@@H](CC)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000343463654 353897349 /nfs/dbraw/zinc/89/73/49/353897349.db2.gz MNSJEWZBPRGCHY-CYBMUJFWSA-N 1 1 238.419 3.194 20 30 BGEDMO C=CC[C@H](CC)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000343463656 353897337 /nfs/dbraw/zinc/89/73/37/353897337.db2.gz MNSJEWZBPRGCHY-ZDUSSCGKSA-N 1 1 238.419 3.194 20 30 BGEDMO C=CCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000343468034 353899452 /nfs/dbraw/zinc/89/94/52/353899452.db2.gz KZIOYSIWAINSGK-CLFYSBASSA-N 1 1 246.310 3.116 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc2cc(OC)ccc2o1 ZINC000343470998 353899661 /nfs/dbraw/zinc/89/96/61/353899661.db2.gz OTVWHJSPPTZMJT-UHFFFAOYSA-N 1 1 245.322 3.449 20 30 BGEDMO C=CCC[N@H+](C)Cc1ncc(C(C)C)s1 ZINC000343472018 353900569 /nfs/dbraw/zinc/90/05/69/353900569.db2.gz QIBYROZJKDGEIU-UHFFFAOYSA-N 1 1 224.373 3.274 20 30 BGEDMO C=CCC[N@@H+](C)Cc1ncc(C(C)C)s1 ZINC000343472018 353900567 /nfs/dbraw/zinc/90/05/67/353900567.db2.gz QIBYROZJKDGEIU-UHFFFAOYSA-N 1 1 224.373 3.274 20 30 BGEDMO C=CCC[N@H+](C)Cc1coc2ccccc12 ZINC000343472208 353900594 /nfs/dbraw/zinc/90/05/94/353900594.db2.gz QXBUMGJEKCRWOG-UHFFFAOYSA-N 1 1 215.296 3.441 20 30 BGEDMO C=CCC[N@H+](C)Cc1cnc(C(C)C)s1 ZINC000343475587 353902089 /nfs/dbraw/zinc/90/20/89/353902089.db2.gz UGCUYRBWFFNHAN-UHFFFAOYSA-N 1 1 224.373 3.274 20 30 BGEDMO C=CCC[N@H+](C)Cc1ncccc1C(F)(F)F ZINC000343477697 353903198 /nfs/dbraw/zinc/90/31/98/353903198.db2.gz WWXDFSNXWAZSKI-UHFFFAOYSA-N 1 1 244.260 3.108 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(OC)c(OCC)c1 ZINC000343480772 353904101 /nfs/dbraw/zinc/90/41/01/353904101.db2.gz ZRIJJXIBQWKUFZ-UHFFFAOYSA-N 1 1 249.354 3.102 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000343502732 353914988 /nfs/dbraw/zinc/91/49/88/353914988.db2.gz ZQHSCRLUDGZXGT-UHFFFAOYSA-N 1 1 203.329 3.311 20 30 BGEDMO C=C1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000343518231 534466624 /nfs/dbraw/zinc/46/66/24/534466624.db2.gz ATHUEPBPSSAKMM-UHFFFAOYSA-N 1 1 237.293 3.159 20 30 BGEDMO CC1(C)CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343521977 365602548 /nfs/dbraw/zinc/60/25/48/365602548.db2.gz GKCJSXFWGDACKG-UHFFFAOYSA-N 1 1 228.339 3.127 20 30 BGEDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343522881 388501623 /nfs/dbraw/zinc/50/16/23/388501623.db2.gz HVLAFBBULOOSAB-CYBMUJFWSA-N 1 1 230.355 3.231 20 30 BGEDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343522885 388501153 /nfs/dbraw/zinc/50/11/53/388501153.db2.gz HVLAFBBULOOSAB-ZDUSSCGKSA-N 1 1 230.355 3.231 20 30 BGEDMO CC1(C)CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343536190 388501389 /nfs/dbraw/zinc/50/13/89/388501389.db2.gz RQJIUURFWWBDAI-UHFFFAOYSA-N 1 1 242.366 3.375 20 30 BGEDMO C[N@@H+](Cc1ccc(CC#N)cc1)CC(C)(C)C ZINC000343538251 135451866 /nfs/dbraw/zinc/45/18/66/135451866.db2.gz TUVLNJQYYBHDPX-UHFFFAOYSA-N 1 1 230.355 3.231 20 30 BGEDMO C[C@@H]([N@@H+](C)Cc1ccc(CC#N)cc1)C1(C)CC1 ZINC000343538928 388501380 /nfs/dbraw/zinc/50/13/80/388501380.db2.gz OOMCMMGGHUGQSG-CYBMUJFWSA-N 1 1 242.366 3.373 20 30 BGEDMO C[C@H]([N@@H+](C)Cc1ccc(CC#N)cc1)C1(C)CC1 ZINC000343538950 388501291 /nfs/dbraw/zinc/50/12/91/388501291.db2.gz OOMCMMGGHUGQSG-ZDUSSCGKSA-N 1 1 242.366 3.373 20 30 BGEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C(C)(C)C1 ZINC000343541986 135451511 /nfs/dbraw/zinc/45/15/11/135451511.db2.gz SWYZVHPWOGNXRD-CYBMUJFWSA-N 1 1 242.366 3.373 20 30 BGEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C(C)(C)C1 ZINC000343541988 135451883 /nfs/dbraw/zinc/45/18/83/135451883.db2.gz SWYZVHPWOGNXRD-ZDUSSCGKSA-N 1 1 242.366 3.373 20 30 BGEDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343543830 388500938 /nfs/dbraw/zinc/50/09/38/388500938.db2.gz WVOAHGFKXBEPCY-INIZCTEOSA-N 1 1 242.366 3.375 20 30 BGEDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343543831 385221045 /nfs/dbraw/zinc/22/10/45/385221045.db2.gz WVOAHGFKXBEPCY-MRXNPFEDSA-N 1 1 242.366 3.375 20 30 BGEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)C1CCC1 ZINC000343545924 353918431 /nfs/dbraw/zinc/91/84/31/353918431.db2.gz ZIOPISTZQAPHJG-UHFFFAOYSA-N 1 1 228.339 3.127 20 30 BGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)[C@H]1C ZINC000343545966 388500889 /nfs/dbraw/zinc/50/08/89/388500889.db2.gz ZPVHEMSLCYWPBZ-KBPBESRZSA-N 1 1 242.366 3.373 20 30 BGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)[C@H]1C ZINC000343545968 388500898 /nfs/dbraw/zinc/50/08/98/388500898.db2.gz ZPVHEMSLCYWPBZ-KGLIPLIRSA-N 1 1 242.366 3.373 20 30 BGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343545973 388500894 /nfs/dbraw/zinc/50/08/94/388500894.db2.gz ZPVHEMSLCYWPBZ-UONOGXRCSA-N 1 1 242.366 3.373 20 30 BGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)[C@@H]1C ZINC000343545976 388501090 /nfs/dbraw/zinc/50/10/90/388501090.db2.gz ZPVHEMSLCYWPBZ-ZIAGYGMSSA-N 1 1 242.366 3.373 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)[C@H]1CCc2ccc(Cl)cc21 ZINC000343549692 353919601 /nfs/dbraw/zinc/91/96/01/353919601.db2.gz KNBLMUAMTWPPMB-HZMBPMFUSA-N 1 1 248.757 3.419 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)[C@H]1CCc2ccc(Cl)cc21 ZINC000343549692 353919598 /nfs/dbraw/zinc/91/95/98/353919598.db2.gz KNBLMUAMTWPPMB-HZMBPMFUSA-N 1 1 248.757 3.419 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCc2ccc(Cl)cc21 ZINC000343549693 353919650 /nfs/dbraw/zinc/91/96/50/353919650.db2.gz KNBLMUAMTWPPMB-IINYFYTJSA-N 1 1 248.757 3.419 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)[C@@H]1CCc2ccc(Cl)cc21 ZINC000343549693 353919646 /nfs/dbraw/zinc/91/96/46/353919646.db2.gz KNBLMUAMTWPPMB-IINYFYTJSA-N 1 1 248.757 3.419 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCc2ccc(Cl)cc21 ZINC000343549694 353919445 /nfs/dbraw/zinc/91/94/45/353919445.db2.gz KNBLMUAMTWPPMB-QMTHXVAHSA-N 1 1 248.757 3.419 20 30 BGEDMO C[C@H](C#N)C[N@H+](C)[C@@H]1CCc2ccc(Cl)cc21 ZINC000343549694 353919442 /nfs/dbraw/zinc/91/94/42/353919442.db2.gz KNBLMUAMTWPPMB-QMTHXVAHSA-N 1 1 248.757 3.419 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)[C@H]1CCc2ccc(Cl)cc21 ZINC000343549695 353919148 /nfs/dbraw/zinc/91/91/48/353919148.db2.gz KNBLMUAMTWPPMB-YGRLFVJLSA-N 1 1 248.757 3.419 20 30 BGEDMO C[C@H](C#N)C[N@H+](C)[C@H]1CCc2ccc(Cl)cc21 ZINC000343549695 353919147 /nfs/dbraw/zinc/91/91/47/353919147.db2.gz KNBLMUAMTWPPMB-YGRLFVJLSA-N 1 1 248.757 3.419 20 30 BGEDMO C=CCCC[N@H+](C)Cc1nc(C2CC2)cs1 ZINC000343552336 353919466 /nfs/dbraw/zinc/91/94/66/353919466.db2.gz OCNJRKDIMYUJFG-UHFFFAOYSA-N 1 1 236.384 3.419 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000343552380 353919194 /nfs/dbraw/zinc/91/91/94/353919194.db2.gz OMWWHAFQTXPBLR-UHFFFAOYSA-N 1 1 228.339 3.151 20 30 BGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343557246 353921040 /nfs/dbraw/zinc/92/10/40/353921040.db2.gz FDQNZKANDRMOEG-BETUJISGSA-N 1 1 228.339 3.125 20 30 BGEDMO CCC[N@@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000343559569 388501659 /nfs/dbraw/zinc/50/16/59/388501659.db2.gz UXOBAFMMAPORHV-UHFFFAOYSA-N 1 1 228.339 3.127 20 30 BGEDMO Cc1cc([C@@H](C)[NH2+]CC2(C#N)CC2)ccc1F ZINC000343560397 353934483 /nfs/dbraw/zinc/93/44/83/353934483.db2.gz HJROCTQUDSCLNX-LLVKDONJSA-N 1 1 232.302 3.089 20 30 BGEDMO Cc1cc([C@H](C)[NH2+]CC2(C#N)CC2)ccc1F ZINC000343560399 353934390 /nfs/dbraw/zinc/93/43/90/353934390.db2.gz HJROCTQUDSCLNX-NSHDSACASA-N 1 1 232.302 3.089 20 30 BGEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343561942 388500745 /nfs/dbraw/zinc/50/07/45/388500745.db2.gz XQTMBEGYIOZHQW-HNNXBMFYSA-N 1 1 228.339 3.127 20 30 BGEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343561943 388501630 /nfs/dbraw/zinc/50/16/30/388501630.db2.gz XQTMBEGYIOZHQW-OAHLLOKOSA-N 1 1 228.339 3.127 20 30 BGEDMO N#CC1(C[NH2+]C2(c3cccc(Cl)c3)CC2)CC1 ZINC000343581566 353938751 /nfs/dbraw/zinc/93/87/51/353938751.db2.gz IUQIBHMDOFBOAA-UHFFFAOYSA-N 1 1 246.741 3.222 20 30 BGEDMO Cc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1F ZINC000343583014 353939586 /nfs/dbraw/zinc/93/95/86/353939586.db2.gz RHDUWBNDKMFECP-LLVKDONJSA-N 1 1 232.302 3.089 20 30 BGEDMO Cc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)cc1F ZINC000343583015 353939847 /nfs/dbraw/zinc/93/98/47/353939847.db2.gz RHDUWBNDKMFECP-NSHDSACASA-N 1 1 232.302 3.089 20 30 BGEDMO N#CC1(C[NH2+]C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000343583090 353939993 /nfs/dbraw/zinc/93/99/93/353939993.db2.gz RRWQZVWZPXOHMT-UHFFFAOYSA-N 1 1 246.741 3.222 20 30 BGEDMO C=C(CC)C[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000343583671 353939659 /nfs/dbraw/zinc/93/96/59/353939659.db2.gz URTROSYRLPADGW-GFCCVEGCSA-N 1 1 249.358 3.200 20 30 BGEDMO C=C(CC)C[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000343583672 353939998 /nfs/dbraw/zinc/93/99/98/353939998.db2.gz URTROSYRLPADGW-LBPRGKRZSA-N 1 1 249.358 3.200 20 30 BGEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000343585951 343256741 /nfs/dbraw/zinc/25/67/41/343256741.db2.gz XPFNAXJXBBVFBA-AWEZNQCLSA-N 1 1 232.302 3.072 20 30 BGEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000343585953 343256775 /nfs/dbraw/zinc/25/67/75/343256775.db2.gz XPFNAXJXBBVFBA-CQSZACIVSA-N 1 1 232.302 3.072 20 30 BGEDMO CC(C)([NH2+]CC1(C#N)CC1)c1cccc(Cl)c1 ZINC000343587279 353940378 /nfs/dbraw/zinc/94/03/78/353940378.db2.gz QQJINGQQSYMATB-UHFFFAOYSA-N 1 1 248.757 3.468 20 30 BGEDMO CCOc1ccccc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000343590091 353941855 /nfs/dbraw/zinc/94/18/55/353941855.db2.gz XOANLPVWIRYMLG-GFCCVEGCSA-N 1 1 244.338 3.040 20 30 BGEDMO CCOc1ccccc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000343590092 353942043 /nfs/dbraw/zinc/94/20/43/353942043.db2.gz XOANLPVWIRYMLG-LBPRGKRZSA-N 1 1 244.338 3.040 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cn(C(C)C)nc1C ZINC000343605976 353931798 /nfs/dbraw/zinc/93/17/98/353931798.db2.gz QLWBWZOWJLBQPE-HNNXBMFYSA-N 1 1 247.386 3.313 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(C(C)C)nc1C ZINC000343605977 353931540 /nfs/dbraw/zinc/93/15/40/353931540.db2.gz QLWBWZOWJLBQPE-OAHLLOKOSA-N 1 1 247.386 3.313 20 30 BGEDMO N#CCCCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000343618684 353946490 /nfs/dbraw/zinc/94/64/90/353946490.db2.gz LSPQBEMKBRXURF-UHFFFAOYSA-N 1 1 245.713 3.026 20 30 BGEDMO CCOc1cccc([C@@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000343626173 353947308 /nfs/dbraw/zinc/94/73/08/353947308.db2.gz YFJYWFIAVZZWLW-GFCCVEGCSA-N 1 1 244.338 3.040 20 30 BGEDMO CCOc1cccc([C@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000343626175 353947648 /nfs/dbraw/zinc/94/76/48/353947648.db2.gz YFJYWFIAVZZWLW-LBPRGKRZSA-N 1 1 244.338 3.040 20 30 BGEDMO CSCCC[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000343680644 343277066 /nfs/dbraw/zinc/27/70/66/343277066.db2.gz PDKLSCOANHDLJE-UHFFFAOYSA-N 1 1 248.395 3.052 20 30 BGEDMO CC1(C)C[N@@H+](CC2(C#N)CC2)Cc2ccccc21 ZINC000343681372 353962280 /nfs/dbraw/zinc/96/22/80/353962280.db2.gz WRBNNJZPOILSFV-UHFFFAOYSA-N 1 1 240.350 3.084 20 30 BGEDMO CC1(C)C[N@H+](CC2(C#N)CC2)Cc2ccccc21 ZINC000343681372 353962277 /nfs/dbraw/zinc/96/22/77/353962277.db2.gz WRBNNJZPOILSFV-UHFFFAOYSA-N 1 1 240.350 3.084 20 30 BGEDMO CSCCC[N@@H+](C)CC(C)(C)CCC#N ZINC000343684715 353963815 /nfs/dbraw/zinc/96/38/15/353963815.db2.gz TXTMUPGJOLCKEJ-UHFFFAOYSA-N 1 1 228.405 3.001 20 30 BGEDMO C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC[C@@H]1C ZINC000343711750 343753228 /nfs/dbraw/zinc/75/32/28/343753228.db2.gz NCURLFSXYPYWID-KBPBESRZSA-N 1 1 242.366 3.231 20 30 BGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343711755 385230160 /nfs/dbraw/zinc/23/01/60/385230160.db2.gz NCURLFSXYPYWID-KGLIPLIRSA-N 1 1 242.366 3.231 20 30 BGEDMO C[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343711757 385231452 /nfs/dbraw/zinc/23/14/52/385231452.db2.gz NCURLFSXYPYWID-UONOGXRCSA-N 1 1 242.366 3.231 20 30 BGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343711759 385230517 /nfs/dbraw/zinc/23/05/17/385230517.db2.gz NCURLFSXYPYWID-ZIAGYGMSSA-N 1 1 242.366 3.231 20 30 BGEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000343721944 343279138 /nfs/dbraw/zinc/27/91/38/343279138.db2.gz KYVCOZDQAYGMKK-LLVKDONJSA-N 1 1 234.318 3.174 20 30 BGEDMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000343721945 343278870 /nfs/dbraw/zinc/27/88/70/343278870.db2.gz KYVCOZDQAYGMKK-NSHDSACASA-N 1 1 234.318 3.174 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000343727028 343279472 /nfs/dbraw/zinc/27/94/72/343279472.db2.gz FCAZLFWXEJTOQA-HNNXBMFYSA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000343727035 343279761 /nfs/dbraw/zinc/27/97/61/343279761.db2.gz FCAZLFWXEJTOQA-OAHLLOKOSA-N 1 1 246.329 3.318 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000343730167 343279440 /nfs/dbraw/zinc/27/94/40/343279440.db2.gz XDOIRLKVWRGECF-LLVKDONJSA-N 1 1 234.318 3.318 20 30 BGEDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000343730169 343279462 /nfs/dbraw/zinc/27/94/62/343279462.db2.gz XDOIRLKVWRGECF-NSHDSACASA-N 1 1 234.318 3.318 20 30 BGEDMO CCC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000343732590 343279582 /nfs/dbraw/zinc/27/95/82/343279582.db2.gz MTHQUSRHQXAVGR-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO CCCC[N@@H+](Cc1ccc(F)cc1C#N)C1CC1 ZINC000343738406 343281999 /nfs/dbraw/zinc/28/19/99/343281999.db2.gz VCQMDPFMCCBCBU-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO C=CCC[N@H+](C)C1CCN(c2ccccc2)CC1 ZINC000343747644 353971171 /nfs/dbraw/zinc/97/11/71/353971171.db2.gz SMXBSVCWMRFTKQ-UHFFFAOYSA-N 1 1 244.382 3.163 20 30 BGEDMO C=CC[N@H+](CCc1cccc(F)c1F)C1CC1 ZINC000343767664 353980928 /nfs/dbraw/zinc/98/09/28/353980928.db2.gz OMIAAJYQEYQADE-UHFFFAOYSA-N 1 1 237.293 3.158 20 30 BGEDMO C[C@H](C1CCC1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343775833 388502699 /nfs/dbraw/zinc/50/26/99/388502699.db2.gz WNXNTQCILCDNLS-CYBMUJFWSA-N 1 1 242.366 3.373 20 30 BGEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343775835 388502050 /nfs/dbraw/zinc/50/20/50/388502050.db2.gz WNXNTQCILCDNLS-ZDUSSCGKSA-N 1 1 242.366 3.373 20 30 BGEDMO C=CCCCCC[N@H+](C)Cc1cncc(OC)c1 ZINC000343813506 354012350 /nfs/dbraw/zinc/01/23/50/354012350.db2.gz LWTMEPDNQIDXDW-UHFFFAOYSA-N 1 1 248.370 3.268 20 30 BGEDMO C=CC[N@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000343937219 354047470 /nfs/dbraw/zinc/04/74/70/354047470.db2.gz JVDYXIOKSCVFOP-AWEZNQCLSA-N 1 1 219.328 3.264 20 30 BGEDMO C=CC[N@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000343937220 354047665 /nfs/dbraw/zinc/04/76/65/354047665.db2.gz JVDYXIOKSCVFOP-CQSZACIVSA-N 1 1 219.328 3.264 20 30 BGEDMO CC(C)CC1(C)CC[NH+](CCC#N)CC1 ZINC000344005586 354111598 /nfs/dbraw/zinc/11/15/98/354111598.db2.gz GHIHRCMIHNLZER-UHFFFAOYSA-N 1 1 208.349 3.048 20 30 BGEDMO CCC(CC)[N@@H+](CC)CCCSCC#N ZINC000344021470 354083018 /nfs/dbraw/zinc/08/30/18/354083018.db2.gz GVCAEFVVKHSVQH-UHFFFAOYSA-N 1 1 228.405 3.144 20 30 BGEDMO C=CCC[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000344025326 354086302 /nfs/dbraw/zinc/08/63/02/354086302.db2.gz XQFVTRAICOXCBG-HNNXBMFYSA-N 1 1 249.329 3.084 20 30 BGEDMO C=CCC[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000344025326 354086299 /nfs/dbraw/zinc/08/62/99/354086299.db2.gz XQFVTRAICOXCBG-HNNXBMFYSA-N 1 1 249.329 3.084 20 30 BGEDMO C=CCC[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000344025327 354086465 /nfs/dbraw/zinc/08/64/65/354086465.db2.gz XQFVTRAICOXCBG-OAHLLOKOSA-N 1 1 249.329 3.084 20 30 BGEDMO C=CCC[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000344025327 354086461 /nfs/dbraw/zinc/08/64/61/354086461.db2.gz XQFVTRAICOXCBG-OAHLLOKOSA-N 1 1 249.329 3.084 20 30 BGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000344028725 343321212 /nfs/dbraw/zinc/32/12/12/343321212.db2.gz KNWHXGVZWWKMRW-BLLLJJGKSA-N 1 1 240.350 3.351 20 30 BGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000344028728 354091411 /nfs/dbraw/zinc/09/14/11/354091411.db2.gz KNWHXGVZWWKMRW-LRDDRELGSA-N 1 1 240.350 3.351 20 30 BGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000344028729 343321463 /nfs/dbraw/zinc/32/14/63/343321463.db2.gz KNWHXGVZWWKMRW-MLGOLLRUSA-N 1 1 240.350 3.351 20 30 BGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000344028730 343321196 /nfs/dbraw/zinc/32/11/96/343321196.db2.gz KNWHXGVZWWKMRW-WBMJQRKESA-N 1 1 240.350 3.351 20 30 BGEDMO C=CCOCCC[N@H+](CC)C(CC)CC ZINC000344043258 354108967 /nfs/dbraw/zinc/10/89/67/354108967.db2.gz XBEYZIMQLIVVNH-UHFFFAOYSA-N 1 1 213.365 3.090 20 30 BGEDMO C[C@H]1C[N@@H+](CCCSCC#N)CC(C)(C)C1 ZINC000344044276 354110451 /nfs/dbraw/zinc/11/04/51/354110451.db2.gz JFNGFYFFZATTFU-GFCCVEGCSA-N 1 1 240.416 3.001 20 30 BGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)CC(C)(C)C1 ZINC000344044280 354110413 /nfs/dbraw/zinc/11/04/13/354110413.db2.gz JFNGFYFFZATTFU-LBPRGKRZSA-N 1 1 240.416 3.001 20 30 BGEDMO C[N@H+](Cc1ccccc1C#N)C[C@H]1CC=CCC1 ZINC000344049219 343321888 /nfs/dbraw/zinc/32/18/88/343321888.db2.gz KCWFIJVDDNZGGP-AWEZNQCLSA-N 1 1 240.350 3.346 20 30 BGEDMO C[N@H+](Cc1ccccc1C#N)C[C@@H]1CC=CCC1 ZINC000344049221 343321793 /nfs/dbraw/zinc/32/17/93/343321793.db2.gz KCWFIJVDDNZGGP-CQSZACIVSA-N 1 1 240.350 3.346 20 30 BGEDMO C=CC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000344060885 354129134 /nfs/dbraw/zinc/12/91/34/354129134.db2.gz MKRGBKCJMYFAEV-DOMZBBRYSA-N 1 1 231.339 3.264 20 30 BGEDMO C=CC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000344060886 354128580 /nfs/dbraw/zinc/12/85/80/354128580.db2.gz MKRGBKCJMYFAEV-IUODEOHRSA-N 1 1 231.339 3.264 20 30 BGEDMO C=CC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000344060887 354128621 /nfs/dbraw/zinc/12/86/21/354128621.db2.gz MKRGBKCJMYFAEV-SWLSCSKDSA-N 1 1 231.339 3.264 20 30 BGEDMO C=CC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000344060888 354128806 /nfs/dbraw/zinc/12/88/06/354128806.db2.gz MKRGBKCJMYFAEV-WFASDCNBSA-N 1 1 231.339 3.264 20 30 BGEDMO C=CCC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344076576 354134052 /nfs/dbraw/zinc/13/40/52/354134052.db2.gz UMPRQXHIVWHOEI-UHFFFAOYSA-N 1 1 231.339 3.236 20 30 BGEDMO C=C(C)CC[N@H+](C)Cc1ccccc1N(C)C ZINC000344078706 354134660 /nfs/dbraw/zinc/13/46/60/354134660.db2.gz YOEMWCAKEQQTMM-UHFFFAOYSA-N 1 1 232.371 3.151 20 30 BGEDMO C[C@H]1C[N@@H+](CCCCC#N)CC(C)(C)C1 ZINC000344081817 135741479 /nfs/dbraw/zinc/74/14/79/135741479.db2.gz RUMOLUCMIOLVSI-GFCCVEGCSA-N 1 1 208.349 3.048 20 30 BGEDMO C[C@@H]1C[N@@H+](CCCCC#N)CC(C)(C)C1 ZINC000344081825 354136366 /nfs/dbraw/zinc/13/63/66/354136366.db2.gz RUMOLUCMIOLVSI-LBPRGKRZSA-N 1 1 208.349 3.048 20 30 BGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344082577 343323130 /nfs/dbraw/zinc/32/31/30/343323130.db2.gz DQLJGTBIHFXMFB-HNNXBMFYSA-N 1 1 240.350 3.180 20 30 BGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344082579 343322958 /nfs/dbraw/zinc/32/29/58/343322958.db2.gz DQLJGTBIHFXMFB-OAHLLOKOSA-N 1 1 240.350 3.180 20 30 BGEDMO N#Cc1ccc(C[N@@H+](CCC2CC2)C2CC2)cc1 ZINC000344096538 343326245 /nfs/dbraw/zinc/32/62/45/343326245.db2.gz BTYYXSZCEMMUCY-UHFFFAOYSA-N 1 1 240.350 3.323 20 30 BGEDMO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC(C)(C)C1 ZINC000344096865 343325482 /nfs/dbraw/zinc/32/54/82/343325482.db2.gz XDBMISLEWSSNMM-CYBMUJFWSA-N 1 1 242.366 3.426 20 30 BGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC(C)(C)C1 ZINC000344096867 343325777 /nfs/dbraw/zinc/32/57/77/343325777.db2.gz XDBMISLEWSSNMM-ZDUSSCGKSA-N 1 1 242.366 3.426 20 30 BGEDMO N#Cc1ccc(C[N@@H+](CC2CCC2)C2CC2)cc1 ZINC000344100448 343326045 /nfs/dbraw/zinc/32/60/45/343326045.db2.gz CEFSSJQCZAKGDS-UHFFFAOYSA-N 1 1 240.350 3.323 20 30 BGEDMO C=C(CC)C[N@@H+](C)Cc1ccccc1N(C)C ZINC000344116011 354142610 /nfs/dbraw/zinc/14/26/10/354142610.db2.gz AOCRMPVTIHIJGJ-UHFFFAOYSA-N 1 1 232.371 3.151 20 30 BGEDMO C[N@@H+](CCCC#N)C1CCC(C(F)(F)F)CC1 ZINC000344135028 354149713 /nfs/dbraw/zinc/14/97/13/354149713.db2.gz RXPQPHKYUUTAKL-UHFFFAOYSA-N 1 1 248.292 3.343 20 30 BGEDMO C=CC[N@H+](C)C1CCC(C(F)(F)F)CC1 ZINC000344151596 354156234 /nfs/dbraw/zinc/15/62/34/354156234.db2.gz SSJOCNMKBUHWFJ-UHFFFAOYSA-N 1 1 221.266 3.225 20 30 BGEDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000344220898 343379056 /nfs/dbraw/zinc/37/90/56/343379056.db2.gz CSWPYIWANWRBDB-HNNXBMFYSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000344220899 343379088 /nfs/dbraw/zinc/37/90/88/343379088.db2.gz CSWPYIWANWRBDB-OAHLLOKOSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000344249818 384111789 /nfs/dbraw/zinc/11/17/89/384111789.db2.gz YHQZJOPRSUTVKO-HNNXBMFYSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000344249823 384110823 /nfs/dbraw/zinc/11/08/23/384110823.db2.gz YHQZJOPRSUTVKO-OAHLLOKOSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[C@@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000344282986 384124751 /nfs/dbraw/zinc/12/47/51/384124751.db2.gz VTWLQOLJNCJIFD-HNNXBMFYSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[C@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000344282987 384125184 /nfs/dbraw/zinc/12/51/84/384125184.db2.gz VTWLQOLJNCJIFD-OAHLLOKOSA-N 1 1 246.329 3.319 20 30 BGEDMO C=C(CC)C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000344354641 354240948 /nfs/dbraw/zinc/24/09/48/354240948.db2.gz GAUIFMUHMBYNHT-LLVKDONJSA-N 1 1 224.373 3.145 20 30 BGEDMO C=C(CC)C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000344354642 354241293 /nfs/dbraw/zinc/24/12/93/354241293.db2.gz GAUIFMUHMBYNHT-NSHDSACASA-N 1 1 224.373 3.145 20 30 BGEDMO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C(C)(C)C1 ZINC000344389993 177263118 /nfs/dbraw/zinc/26/31/18/177263118.db2.gz CWSGHYIXOJMARW-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C(C)(C)C1 ZINC000344389995 176302548 /nfs/dbraw/zinc/30/25/48/176302548.db2.gz CWSGHYIXOJMARW-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC000344402971 135768410 /nfs/dbraw/zinc/76/84/10/135768410.db2.gz MMPQLAQVUYUHIX-UHFFFAOYSA-N 1 1 232.302 3.072 20 30 BGEDMO C=C(CC)CSCCCn1cc[nH+]c1C ZINC000344468564 354266712 /nfs/dbraw/zinc/26/67/12/354266712.db2.gz RXYJHMZIZWRVEC-UHFFFAOYSA-N 1 1 224.373 3.281 20 30 BGEDMO C=CC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000344469550 354267439 /nfs/dbraw/zinc/26/74/39/354267439.db2.gz GQIWMKMLTQXWRU-HNNXBMFYSA-N 1 1 213.324 3.324 20 30 BGEDMO 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C=CCCC[N@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000351933652 134014266 /nfs/dbraw/zinc/01/42/66/134014266.db2.gz DLSNWXXJEXTFCT-ZDUSSCGKSA-N 1 1 225.376 3.232 20 30 BGEDMO C=C(CC)C[N@H+](CC)[C@@H]1CCOC(C)(C)C1 ZINC000351936633 534377784 /nfs/dbraw/zinc/37/77/84/534377784.db2.gz MLADDOQPQCVLSV-CYBMUJFWSA-N 1 1 225.376 3.232 20 30 BGEDMO C=C(CC)C[N@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000351936634 534376727 /nfs/dbraw/zinc/37/67/27/534376727.db2.gz MLADDOQPQCVLSV-ZDUSSCGKSA-N 1 1 225.376 3.232 20 30 BGEDMO C=C(C)CCN(CCC)CC[NH+](CC)CC ZINC000351987650 134025763 /nfs/dbraw/zinc/02/57/63/134025763.db2.gz XJXMVJVEBJMJLT-UHFFFAOYSA-N 1 1 226.408 3.006 20 30 BGEDMO C=C(C)CC[N@@H+](CCC)CCN(CC)CC ZINC000351987650 134025762 /nfs/dbraw/zinc/02/57/62/134025762.db2.gz XJXMVJVEBJMJLT-UHFFFAOYSA-N 1 1 226.408 3.006 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1nn(CC)c2ccccc12 ZINC000351988589 134026571 /nfs/dbraw/zinc/02/65/71/134026571.db2.gz JMPLLDRKWPZGBO-UHFFFAOYSA-N 1 1 243.354 3.064 20 30 BGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000351991988 134031250 /nfs/dbraw/zinc/03/12/50/134031250.db2.gz ADSPIZBVDRWYNU-AWEZNQCLSA-N 1 1 225.376 3.091 20 30 BGEDMO C=C(C)CC[N@@H+]1CCCC[C@H](CCOC)C1 ZINC000351991989 134031378 /nfs/dbraw/zinc/03/13/78/134031378.db2.gz ADSPIZBVDRWYNU-CQSZACIVSA-N 1 1 225.376 3.091 20 30 BGEDMO C=C(C)CC[N@H+](C)Cc1ccc(C)s1 ZINC000352003077 533485134 /nfs/dbraw/zinc/48/51/34/533485134.db2.gz JWBQXWOKOJGCTF-UHFFFAOYSA-N 1 1 209.358 3.455 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ncc(Cl)s1 ZINC000352004654 534708629 /nfs/dbraw/zinc/70/86/29/534708629.db2.gz WQESCZVUCFJSDJ-UHFFFAOYSA-N 1 1 230.764 3.195 20 30 BGEDMO C=CCCC[N@@H+](C)Cc1ncc(Cl)s1 ZINC000352004654 534708616 /nfs/dbraw/zinc/70/86/16/534708616.db2.gz WQESCZVUCFJSDJ-UHFFFAOYSA-N 1 1 230.764 3.195 20 30 BGEDMO C=C(C)CC[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000352005398 533485067 /nfs/dbraw/zinc/48/50/67/533485067.db2.gz QWSPOGXGJHTCET-UHFFFAOYSA-N 1 1 241.375 3.006 20 30 BGEDMO C=C(C)CC[N@H+](C)Cc1ncc(CC)s1 ZINC000352006174 533484410 /nfs/dbraw/zinc/48/44/10/533484410.db2.gz SZICLNAZLKCENA-UHFFFAOYSA-N 1 1 224.373 3.104 20 30 BGEDMO C=C(C)CC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000352015748 134036711 /nfs/dbraw/zinc/03/67/11/134036711.db2.gz RVQNFWQQWUOEMV-HNNXBMFYSA-N 1 1 231.339 3.026 20 30 BGEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000352015749 134036722 /nfs/dbraw/zinc/03/67/22/134036722.db2.gz RVQNFWQQWUOEMV-OAHLLOKOSA-N 1 1 231.339 3.026 20 30 BGEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CCC1(F)F ZINC000352019904 134037371 /nfs/dbraw/zinc/03/73/71/134037371.db2.gz WUHULOJMUDAJAY-LLVKDONJSA-N 1 1 244.329 3.293 20 30 BGEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CCC1(F)F ZINC000352019905 134037136 /nfs/dbraw/zinc/03/71/36/134037136.db2.gz WUHULOJMUDAJAY-NSHDSACASA-N 1 1 244.329 3.293 20 30 BGEDMO C=CC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352023322 134037625 /nfs/dbraw/zinc/03/76/25/134037625.db2.gz WNXPXBLCAACJRB-UHFFFAOYSA-N 1 1 235.277 3.240 20 30 BGEDMO C=CC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352023322 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/nfs/dbraw/zinc/16/64/75/134166475.db2.gz PRNIVSBNOVUUOY-UHFFFAOYSA-N 1 1 230.355 3.285 20 30 BGEDMO Cc1sccc1C[N@H+](C)CC(C)(C)C#N ZINC000354043409 134166404 /nfs/dbraw/zinc/16/64/04/134166404.db2.gz XRVMXFVMVHIWIP-UHFFFAOYSA-N 1 1 222.357 3.038 20 30 BGEDMO Cc1sccc1C[N@@H+](C)CC(C)(C)C#N ZINC000354043409 134166403 /nfs/dbraw/zinc/16/64/03/134166403.db2.gz XRVMXFVMVHIWIP-UHFFFAOYSA-N 1 1 222.357 3.038 20 30 BGEDMO Cc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1C ZINC000354044114 134166468 /nfs/dbraw/zinc/16/64/68/134166468.db2.gz FOKMDIIDHNSLMV-GFCCVEGCSA-N 1 1 242.366 3.428 20 30 BGEDMO Cc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1C ZINC000354044114 134166467 /nfs/dbraw/zinc/16/64/67/134166467.db2.gz FOKMDIIDHNSLMV-GFCCVEGCSA-N 1 1 242.366 3.428 20 30 BGEDMO Cc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1C ZINC000354044115 134166728 /nfs/dbraw/zinc/16/67/28/134166728.db2.gz FOKMDIIDHNSLMV-LBPRGKRZSA-N 1 1 242.366 3.428 20 30 BGEDMO Cc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1C ZINC000354044115 134166727 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ZINC000354088057 535908935 /nfs/dbraw/zinc/90/89/35/535908935.db2.gz KABKMPCAGPOVLP-CQSZACIVSA-N 1 1 222.376 3.438 20 30 BGEDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000354089224 171200507 /nfs/dbraw/zinc/20/05/07/171200507.db2.gz XLDCBJMHJKXMCM-HNNXBMFYSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000354089225 387883756 /nfs/dbraw/zinc/88/37/56/387883756.db2.gz XLDCBJMHJKXMCM-OAHLLOKOSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[C@@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000354099811 171201420 /nfs/dbraw/zinc/20/14/20/171201420.db2.gz HSXZBBXMJGLKNB-HNNXBMFYSA-N 1 1 228.339 3.180 20 30 BGEDMO CC[C@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000354099812 387897757 /nfs/dbraw/zinc/89/77/57/387897757.db2.gz HSXZBBXMJGLKNB-OAHLLOKOSA-N 1 1 228.339 3.180 20 30 BGEDMO CC[C@@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000354108344 171201480 /nfs/dbraw/zinc/20/14/80/171201480.db2.gz VEAWRLUVNFIDPJ-HNNXBMFYSA-N 1 1 228.339 3.180 20 30 BGEDMO CC[C@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000354108346 387910476 /nfs/dbraw/zinc/91/04/76/387910476.db2.gz VEAWRLUVNFIDPJ-OAHLLOKOSA-N 1 1 228.339 3.180 20 30 BGEDMO CC(C)[N@@H+](Cc1cc(C#N)ccc1F)C1CCC1 ZINC000354226923 398118159 /nfs/dbraw/zinc/11/81/59/398118159.db2.gz YCRLYQUWDZYEQR-UHFFFAOYSA-N 1 1 246.329 3.460 20 30 BGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2CF)cc1 ZINC000354519431 534882200 /nfs/dbraw/zinc/88/22/00/534882200.db2.gz AOTNLOGOBJVCTB-AWEZNQCLSA-N 1 1 249.329 3.185 20 30 BGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2CF)cc1 ZINC000354519432 534882103 /nfs/dbraw/zinc/88/21/03/534882103.db2.gz AOTNLOGOBJVCTB-CQSZACIVSA-N 1 1 249.329 3.185 20 30 BGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1CF ZINC000354522081 397969409 /nfs/dbraw/zinc/96/94/09/397969409.db2.gz PLBOCPDUEDCJJV-AWEZNQCLSA-N 1 1 249.329 3.185 20 30 BGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1CF ZINC000354522081 397969405 /nfs/dbraw/zinc/96/94/05/397969405.db2.gz PLBOCPDUEDCJJV-AWEZNQCLSA-N 1 1 249.329 3.185 20 30 BGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]1CF ZINC000354522082 397969739 /nfs/dbraw/zinc/96/97/39/397969739.db2.gz PLBOCPDUEDCJJV-CQSZACIVSA-N 1 1 249.329 3.185 20 30 BGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1CF ZINC000354522082 397969737 /nfs/dbraw/zinc/96/97/37/397969737.db2.gz PLBOCPDUEDCJJV-CQSZACIVSA-N 1 1 249.329 3.185 20 30 BGEDMO N#Cc1csc(C[N@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000354522612 387125716 /nfs/dbraw/zinc/12/57/16/387125716.db2.gz AJEGSCMMJYKYBH-GFCCVEGCSA-N 1 1 246.379 3.242 20 30 BGEDMO N#Cc1csc(C[N@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000354522613 187374167 /nfs/dbraw/zinc/37/41/67/187374167.db2.gz AJEGSCMMJYKYBH-LBPRGKRZSA-N 1 1 246.379 3.242 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CC3CC3)C2)s1 ZINC000354524743 181104972 /nfs/dbraw/zinc/10/49/72/181104972.db2.gz HNZFBGHAPMVGQC-GFCCVEGCSA-N 1 1 246.379 3.242 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CC3CC3)C2)s1 ZINC000354524744 181105398 /nfs/dbraw/zinc/10/53/98/181105398.db2.gz HNZFBGHAPMVGQC-LBPRGKRZSA-N 1 1 246.379 3.242 20 30 BGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2CF)c1 ZINC000354525183 134168914 /nfs/dbraw/zinc/16/89/14/134168914.db2.gz YOTYNRXSIUYOAS-AWEZNQCLSA-N 1 1 249.329 3.185 20 30 BGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2CF)c1 ZINC000354525184 134168717 /nfs/dbraw/zinc/16/87/17/134168717.db2.gz YOTYNRXSIUYOAS-CQSZACIVSA-N 1 1 249.329 3.185 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000354527157 534997474 /nfs/dbraw/zinc/99/74/74/534997474.db2.gz PXFXQABQJOSFPW-AWEZNQCLSA-N 1 1 234.387 3.438 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000354527159 534998163 /nfs/dbraw/zinc/99/81/63/534998163.db2.gz PXFXQABQJOSFPW-CQSZACIVSA-N 1 1 234.387 3.438 20 30 BGEDMO C=CC[N@H+](C)Cc1c(F)cccc1CC ZINC000354636427 356741987 /nfs/dbraw/zinc/74/19/87/356741987.db2.gz NOJRCSSJIMDFLK-UHFFFAOYSA-N 1 1 207.292 3.006 20 30 BGEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCCC#N ZINC000354825645 398053702 /nfs/dbraw/zinc/05/37/02/398053702.db2.gz GVOSLRNXDMXSBU-NEPJUHHUSA-N 1 1 246.329 3.437 20 30 BGEDMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CCCC#N ZINC000354825653 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/nfs/dbraw/zinc/36/54/83/169365483.db2.gz XMRAACXPLGTJOX-LLVKDONJSA-N 1 1 234.318 3.318 20 30 BGEDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361690445 388638554 /nfs/dbraw/zinc/63/85/54/388638554.db2.gz XMRAACXPLGTJOX-NSHDSACASA-N 1 1 234.318 3.318 20 30 BGEDMO C[N@@H+](CC#Cc1ccccc1)Cc1cccs1 ZINC000361690516 134207394 /nfs/dbraw/zinc/20/73/94/134207394.db2.gz YHPLTWJGHIGUKR-UHFFFAOYSA-N 1 1 241.359 3.232 20 30 BGEDMO C[N@H+](CC#Cc1ccccc1)Cc1cccs1 ZINC000361690516 134207393 /nfs/dbraw/zinc/20/73/93/134207393.db2.gz YHPLTWJGHIGUKR-UHFFFAOYSA-N 1 1 241.359 3.232 20 30 BGEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361693937 167369423 /nfs/dbraw/zinc/36/94/23/167369423.db2.gz VRQJAHGKWCPVNJ-LLVKDONJSA-N 1 1 234.318 3.174 20 30 BGEDMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361693938 187243402 /nfs/dbraw/zinc/24/34/02/187243402.db2.gz VRQJAHGKWCPVNJ-NSHDSACASA-N 1 1 234.318 3.174 20 30 BGEDMO C=CCCC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000361698156 534720504 /nfs/dbraw/zinc/72/05/04/534720504.db2.gz CNXOTZBNXPBMRG-UHFFFAOYSA-N 1 1 237.293 3.289 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361698384 388638822 /nfs/dbraw/zinc/63/88/22/388638822.db2.gz HASJBNNLKMUNKQ-HNNXBMFYSA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361698385 187243572 /nfs/dbraw/zinc/24/35/72/187243572.db2.gz HASJBNNLKMUNKQ-OAHLLOKOSA-N 1 1 246.329 3.318 20 30 BGEDMO CCCC[N@@H+](Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000361699331 388638450 /nfs/dbraw/zinc/63/84/50/388638450.db2.gz PRDKIHMUNCDAPD-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361706044 369449530 /nfs/dbraw/zinc/44/95/30/369449530.db2.gz NUTSFIRGCAIUEC-CYBMUJFWSA-N 1 1 232.302 3.072 20 30 BGEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361706052 388638851 /nfs/dbraw/zinc/63/88/51/388638851.db2.gz NUTSFIRGCAIUEC-ZDUSSCGKSA-N 1 1 232.302 3.072 20 30 BGEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)CC(C)(C)C ZINC000361713173 398294364 /nfs/dbraw/zinc/29/43/64/398294364.db2.gz WEUHSZUDPJBXTF-UHFFFAOYSA-N 1 1 234.318 3.175 20 30 BGEDMO CC[N@@H+](CCC1CC1)Cc1ccc(C#N)c(F)c1 ZINC000361747761 388638494 /nfs/dbraw/zinc/63/84/94/388638494.db2.gz DGVMZMXDDWHCKO-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccco1 ZINC000361753825 176874371 /nfs/dbraw/zinc/87/43/71/176874371.db2.gz LDDRMTFUTKXCMB-JTQLQIEISA-N 1 1 244.269 3.141 20 30 BGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccco1 ZINC000361753826 388638437 /nfs/dbraw/zinc/63/84/37/388638437.db2.gz LDDRMTFUTKXCMB-SNVBAGLBSA-N 1 1 244.269 3.141 20 30 BGEDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361765961 176064117 /nfs/dbraw/zinc/06/41/17/176064117.db2.gz MEFCKFMTNNOJJR-GFCCVEGCSA-N 1 1 246.329 3.462 20 30 BGEDMO C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361765962 177070031 /nfs/dbraw/zinc/07/00/31/177070031.db2.gz MEFCKFMTNNOJJR-LBPRGKRZSA-N 1 1 246.329 3.462 20 30 BGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C(C)(C)C1 ZINC000361832358 177262587 /nfs/dbraw/zinc/26/25/87/177262587.db2.gz JNDBNBBHXMOESL-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C(C)(C)C1 ZINC000361832362 176302671 /nfs/dbraw/zinc/30/26/71/176302671.db2.gz JNDBNBBHXMOESL-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000361833695 171201500 /nfs/dbraw/zinc/20/15/00/171201500.db2.gz PGRAXGNNBKIVJW-HNNXBMFYSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000361833696 398294839 /nfs/dbraw/zinc/29/48/39/398294839.db2.gz PGRAXGNNBKIVJW-OAHLLOKOSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)C1CCC1 ZINC000361837214 369453467 /nfs/dbraw/zinc/45/34/67/369453467.db2.gz KGCSLQWYXZKJEP-UHFFFAOYSA-N 1 1 232.302 3.072 20 30 BGEDMO CCCCC[C@@H]1CCC[N@H+]1CCCC#N ZINC000361838366 535123523 /nfs/dbraw/zinc/12/35/23/535123523.db2.gz SNJORWPACYEQES-CYBMUJFWSA-N 1 1 208.349 3.335 20 30 BGEDMO CCCCC[C@H]1CCC[N@H+]1CCCC#N ZINC000361838374 134207866 /nfs/dbraw/zinc/20/78/66/134207866.db2.gz SNJORWPACYEQES-ZDUSSCGKSA-N 1 1 208.349 3.335 20 30 BGEDMO Cc1ccc2c(c1)CC[N@H+](CCCCC#N)C2 ZINC000361838425 134207791 /nfs/dbraw/zinc/20/77/91/134207791.db2.gz BIEKRNWQDNTYNZ-UHFFFAOYSA-N 1 1 228.339 3.047 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc(OC)ccc1Cl ZINC000361844884 134207840 /nfs/dbraw/zinc/20/78/40/134207840.db2.gz XZJYVSHYMXGFJH-UHFFFAOYSA-N 1 1 239.746 3.357 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)cc1F ZINC000361847245 181106037 /nfs/dbraw/zinc/10/60/37/181106037.db2.gz BOIHYMMONIMCCO-DOMZBBRYSA-N 1 1 244.313 3.072 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)cc1F ZINC000361847251 181105052 /nfs/dbraw/zinc/10/50/52/181105052.db2.gz BOIHYMMONIMCCO-IUODEOHRSA-N 1 1 244.313 3.072 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)cc1F ZINC000361847252 181105559 /nfs/dbraw/zinc/10/55/59/181105559.db2.gz BOIHYMMONIMCCO-SWLSCSKDSA-N 1 1 244.313 3.072 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)cc1F ZINC000361847254 181105519 /nfs/dbraw/zinc/10/55/19/181105519.db2.gz BOIHYMMONIMCCO-WFASDCNBSA-N 1 1 244.313 3.072 20 30 BGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361862524 171037310 /nfs/dbraw/zinc/03/73/10/171037310.db2.gz OJWINMPREUMGTC-BXUZGUMPSA-N 1 1 246.329 3.460 20 30 BGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361862529 388638539 /nfs/dbraw/zinc/63/85/39/388638539.db2.gz OJWINMPREUMGTC-FZMZJTMJSA-N 1 1 246.329 3.460 20 30 BGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361862530 386410195 /nfs/dbraw/zinc/41/01/95/386410195.db2.gz OJWINMPREUMGTC-RISCZKNCSA-N 1 1 246.329 3.460 20 30 BGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361862531 171053835 /nfs/dbraw/zinc/05/38/35/171053835.db2.gz OJWINMPREUMGTC-SMDDNHRTSA-N 1 1 246.329 3.460 20 30 BGEDMO C[C@H](C1CCC1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361866729 388638563 /nfs/dbraw/zinc/63/85/63/388638563.db2.gz WRXAFSHOPAJGRZ-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361866730 388638579 /nfs/dbraw/zinc/63/85/79/388638579.db2.gz WRXAFSHOPAJGRZ-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO C=C(Cl)C[NH+]1CCC(c2ccccn2)CC1 ZINC000361955290 134208389 /nfs/dbraw/zinc/20/83/89/134208389.db2.gz NFLKCEPGLWUYIR-UHFFFAOYSA-N 1 1 236.746 3.014 20 30 BGEDMO C=CC[N@H+](CCCC1CCCC1)CCOC ZINC000362049049 166341478 /nfs/dbraw/zinc/34/14/78/166341478.db2.gz SFRXKUFOEXZNBV-UHFFFAOYSA-N 1 1 225.376 3.091 20 30 BGEDMO N#Cc1ccc(C2=CC[N@@H+](CCCF)CC2)cc1 ZINC000362107642 187219649 /nfs/dbraw/zinc/21/96/49/187219649.db2.gz XHISGJJZOSTNRN-UHFFFAOYSA-N 1 1 244.313 3.007 20 30 BGEDMO C=C(CC)C[N@@H+](CCOC)[C@H]1CC[C@H](C)C1 ZINC000362151034 534377302 /nfs/dbraw/zinc/37/73/02/534377302.db2.gz RIKXWQBTBAFYJR-KBPBESRZSA-N 1 1 225.376 3.090 20 30 BGEDMO C=C(CC)C[N@@H+](CCOC)[C@H]1CC[C@@H](C)C1 ZINC000362151035 534377526 /nfs/dbraw/zinc/37/75/26/534377526.db2.gz RIKXWQBTBAFYJR-KGLIPLIRSA-N 1 1 225.376 3.090 20 30 BGEDMO C=C(CC)C[N@@H+](CCOC)[C@@H]1CC[C@H](C)C1 ZINC000362151036 534378795 /nfs/dbraw/zinc/37/87/95/534378795.db2.gz RIKXWQBTBAFYJR-UONOGXRCSA-N 1 1 225.376 3.090 20 30 BGEDMO C=C(CC)C[N@@H+](CCOC)[C@@H]1CC[C@@H](C)C1 ZINC000362151037 534376750 /nfs/dbraw/zinc/37/67/50/534376750.db2.gz RIKXWQBTBAFYJR-ZIAGYGMSSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[N@H+](CCOC)[C@H]1CC[C@H](C)C1 ZINC000362166675 134209145 /nfs/dbraw/zinc/20/91/45/134209145.db2.gz YWHHDLBZUWTBHD-KBPBESRZSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[N@H+](CCOC)[C@H]1CC[C@@H](C)C1 ZINC000362166677 134209181 /nfs/dbraw/zinc/20/91/81/134209181.db2.gz YWHHDLBZUWTBHD-KGLIPLIRSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[N@H+](CCOC)[C@@H]1CC[C@H](C)C1 ZINC000362166678 134209073 /nfs/dbraw/zinc/20/90/73/134209073.db2.gz YWHHDLBZUWTBHD-UONOGXRCSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[N@H+](CCOC)[C@@H]1CC[C@@H](C)C1 ZINC000362166680 134209130 /nfs/dbraw/zinc/20/91/30/134209130.db2.gz YWHHDLBZUWTBHD-ZIAGYGMSSA-N 1 1 225.376 3.090 20 30 BGEDMO CCC1(CC)C[N@@H+](CCCCC#N)CCS1 ZINC000362247045 356942692 /nfs/dbraw/zinc/94/26/92/356942692.db2.gz YAGSZJVZGGMTEW-UHFFFAOYSA-N 1 1 240.416 3.288 20 30 BGEDMO CCC[N@@H+](CCc1cccs1)CC1(C#N)CC1 ZINC000362262539 134209639 /nfs/dbraw/zinc/20/96/39/134209639.db2.gz MGVXZHLUWUTRDU-UHFFFAOYSA-N 1 1 248.395 3.306 20 30 BGEDMO CCC[N@H+](Cc1cccc(F)c1C#N)CC1CC1 ZINC000362305331 169175258 /nfs/dbraw/zinc/17/52/58/169175258.db2.gz MJLIJMFEFOBYFM-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO CC(C)(C#N)CCC[N@H+]1CC2CCC1CC2 ZINC000362338965 534981275 /nfs/dbraw/zinc/98/12/75/534981275.db2.gz DJQUUGOLUDYAKT-UHFFFAOYSA-N 1 1 220.360 3.191 20 30 BGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC2CCC1CC2 ZINC000362342001 384197240 /nfs/dbraw/zinc/19/72/40/384197240.db2.gz PKPADSHCXBTWGA-UHFFFAOYSA-N 1 1 244.313 3.072 20 30 BGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC2CCC1CC2 ZINC000362342001 384197236 /nfs/dbraw/zinc/19/72/36/384197236.db2.gz PKPADSHCXBTWGA-UHFFFAOYSA-N 1 1 244.313 3.072 20 30 BGEDMO N#CCC1(CNc2cc[nH+]c3ccsc32)CC1 ZINC000362364650 134210165 /nfs/dbraw/zinc/21/01/65/134210165.db2.gz JRNPSTGLAUKMEU-UHFFFAOYSA-N 1 1 243.335 3.402 20 30 BGEDMO N#CCC[N@H+]1CCCC2(C1)CCCCCC2 ZINC000362382785 134211087 /nfs/dbraw/zinc/21/10/87/134211087.db2.gz BTMNDNVMKNWZEP-UHFFFAOYSA-N 1 1 220.360 3.336 20 30 BGEDMO N#CCC[N@@H+]1CC[C@H](Cc2cccc(Cl)c2)C1 ZINC000362389021 134211068 /nfs/dbraw/zinc/21/10/68/134211068.db2.gz KOIDTNRGEZNWLD-CYBMUJFWSA-N 1 1 248.757 3.118 20 30 BGEDMO N#CCC[N@H+]1CC[C@H](Cc2cccc(Cl)c2)C1 ZINC000362389021 134211067 /nfs/dbraw/zinc/21/10/67/134211067.db2.gz KOIDTNRGEZNWLD-CYBMUJFWSA-N 1 1 248.757 3.118 20 30 BGEDMO N#CCC[N@@H+]1CC[C@@H](Cc2cccc(Cl)c2)C1 ZINC000362389022 134210986 /nfs/dbraw/zinc/21/09/86/134210986.db2.gz KOIDTNRGEZNWLD-ZDUSSCGKSA-N 1 1 248.757 3.118 20 30 BGEDMO N#CCC[N@H+]1CC[C@@H](Cc2cccc(Cl)c2)C1 ZINC000362389022 134210985 /nfs/dbraw/zinc/21/09/85/134210985.db2.gz KOIDTNRGEZNWLD-ZDUSSCGKSA-N 1 1 248.757 3.118 20 30 BGEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCC#N 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C#CCC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000362445450 533049626 /nfs/dbraw/zinc/04/96/26/533049626.db2.gz AGUMICKIUNHAKK-AWEZNQCLSA-N 1 1 235.277 3.125 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000362445451 134211295 /nfs/dbraw/zinc/21/12/95/134211295.db2.gz AGUMICKIUNHAKK-CQSZACIVSA-N 1 1 235.277 3.125 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000362449810 134211239 /nfs/dbraw/zinc/21/12/39/134211239.db2.gz DRHFKFWRCOVHLS-GFCCVEGCSA-N 1 1 219.353 3.217 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000362449811 533050352 /nfs/dbraw/zinc/05/03/52/533050352.db2.gz DRHFKFWRCOVHLS-LBPRGKRZSA-N 1 1 219.353 3.217 20 30 BGEDMO CCSCC[C@@H](C)[N@@H+](C)CCCCC#N ZINC000362463977 134211188 /nfs/dbraw/zinc/21/11/88/134211188.db2.gz LSKZTBPUXGNTKP-GFCCVEGCSA-N 1 1 228.405 3.144 20 30 BGEDMO CCSCC[C@H](C)[N@@H+](C)CCCCC#N ZINC000362463978 134211214 /nfs/dbraw/zinc/21/12/14/134211214.db2.gz LSKZTBPUXGNTKP-LBPRGKRZSA-N 1 1 228.405 3.144 20 30 BGEDMO 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3.441 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@H](CO)CC1 ZINC000378847802 712366526 /nfs/dbraw/zinc/36/65/26/712366526.db2.gz UDBLSXOZSQDRHV-AWEZNQCLSA-N 1 1 227.392 3.051 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@@H](CO)CC1 ZINC000378847803 712366306 /nfs/dbraw/zinc/36/63/06/712366306.db2.gz UDBLSXOZSQDRHV-CQSZACIVSA-N 1 1 227.392 3.051 20 30 BGEDMO CCC(=[NH+]OC/C=C\Cl)c1cccc(N)c1 ZINC000378854274 712366785 /nfs/dbraw/zinc/36/67/85/712366785.db2.gz IRJOPBMUJOTPQU-OIUWJUBLSA-N 1 1 238.718 3.152 20 30 BGEDMO CCC(=[NH+]OC/C=C/Cl)c1cccc(N)c1 ZINC000378854275 712367045 /nfs/dbraw/zinc/36/70/45/712367045.db2.gz IRJOPBMUJOTPQU-UXRYSFGWSA-N 1 1 238.718 3.152 20 30 BGEDMO CC(=[NH+]OCC1CC1)c1ccc(Cl)c(N)c1 ZINC000378855286 712367015 /nfs/dbraw/zinc/36/70/15/712367015.db2.gz JQAVJJXXGUWJEM-UHFFFAOYSA-N 1 1 238.718 3.073 20 30 BGEDMO CC(=[NH+]OCC(C)C)c1ccc(Cl)c(N)c1 ZINC000378856366 712363630 /nfs/dbraw/zinc/36/36/30/712363630.db2.gz KPTTZTAQCCJCAV-UHFFFAOYSA-N 1 1 240.734 3.319 20 30 BGEDMO C=C(Br)C[N@H+](CCC)C(C)C ZINC000379269260 712371639 /nfs/dbraw/zinc/37/16/39/712371639.db2.gz UFDKEQKCNFNDKL-UHFFFAOYSA-N 1 1 220.154 3.015 20 30 BGEDMO C=C(Br)C[N@@H+](CC)CC1CCC1 ZINC000379322763 712373665 /nfs/dbraw/zinc/37/36/65/712373665.db2.gz LAUAPNDKXMGNNE-UHFFFAOYSA-N 1 1 232.165 3.017 20 30 BGEDMO C=C(Br)C[N@H+](CC)C(CC)CC ZINC000379338383 711799674 /nfs/dbraw/zinc/79/96/74/711799674.db2.gz JGABXCAMYLMFNA-UHFFFAOYSA-N 1 1 234.181 3.406 20 30 BGEDMO C=C(Cl)C[N@H+](C(CC)CC)C1CC1 ZINC000379376734 712378803 /nfs/dbraw/zinc/37/88/03/712378803.db2.gz UWLBCDBWFYXMMY-UHFFFAOYSA-N 1 1 201.741 3.392 20 30 BGEDMO C=C(Cl)C[NH2+]Cc1ccc(SC)s1 ZINC000379378069 712379744 /nfs/dbraw/zinc/37/97/44/712379744.db2.gz ZYQXYJQKNKFJGI-UHFFFAOYSA-N 1 1 233.789 3.312 20 30 BGEDMO C=C(Br)C[N@@H+](CC1CC1)C1CCC1 ZINC000379394423 712381477 /nfs/dbraw/zinc/38/14/77/712381477.db2.gz XGZABHDKCQTLEA-UHFFFAOYSA-N 1 1 244.176 3.160 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CCC)C1 ZINC000379399996 712382578 /nfs/dbraw/zinc/38/25/78/712382578.db2.gz HZQFUDXCLQKXIR-LLVKDONJSA-N 1 1 201.741 3.251 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CCC)C1 ZINC000379399997 712382650 /nfs/dbraw/zinc/38/26/50/712382650.db2.gz HZQFUDXCLQKXIR-NSHDSACASA-N 1 1 201.741 3.251 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@@H](C)CCSCC ZINC000379400423 711801389 /nfs/dbraw/zinc/80/13/89/711801389.db2.gz IORKQKLOXFGSNZ-JTQLQIEISA-N 1 1 221.797 3.202 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@H](C)CCSCC ZINC000379400424 712382128 /nfs/dbraw/zinc/38/21/28/712382128.db2.gz IORKQKLOXFGSNZ-SNVBAGLBSA-N 1 1 221.797 3.202 20 30 BGEDMO CC(C)(C)CCC[N@H+]1CCC[C@H](C#N)C1 ZINC000379714175 712392525 /nfs/dbraw/zinc/39/25/25/712392525.db2.gz IVUCWOSGZXKEDI-GFCCVEGCSA-N 1 1 208.349 3.048 20 30 BGEDMO CC(C)(C)CCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000379714177 712392519 /nfs/dbraw/zinc/39/25/19/712392519.db2.gz IVUCWOSGZXKEDI-LBPRGKRZSA-N 1 1 208.349 3.048 20 30 BGEDMO CC(C)C[C@@H](C)C[N@@H+](CCC#N)C(C)C ZINC000379722647 361358021 /nfs/dbraw/zinc/35/80/21/361358021.db2.gz XJMCNGKVZJPMSF-CYBMUJFWSA-N 1 1 210.365 3.293 20 30 BGEDMO CC(C)C[C@H](C)C[N@@H+](CCC#N)C(C)C ZINC000379722648 361358383 /nfs/dbraw/zinc/35/83/83/361358383.db2.gz XJMCNGKVZJPMSF-ZDUSSCGKSA-N 1 1 210.365 3.293 20 30 BGEDMO C=C(Cl)Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000379928673 712631599 /nfs/dbraw/zinc/63/15/99/712631599.db2.gz MYABCCQVDFIJOV-BDAKNGLRSA-N 1 1 224.735 3.006 20 30 BGEDMO C=C(Cl)Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000379928674 712631616 /nfs/dbraw/zinc/63/16/16/712631616.db2.gz MYABCCQVDFIJOV-DTWKUNHWSA-N 1 1 224.735 3.006 20 30 BGEDMO C=C(Cl)Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000379928675 712631589 /nfs/dbraw/zinc/63/15/89/712631589.db2.gz MYABCCQVDFIJOV-IUCAKERBSA-N 1 1 224.735 3.006 20 30 BGEDMO C=C(Cl)Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000379928676 712631631 /nfs/dbraw/zinc/63/16/31/712631631.db2.gz MYABCCQVDFIJOV-RKDXNWHRSA-N 1 1 224.735 3.006 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)CCC1CCCCC1 ZINC000379939458 365754501 /nfs/dbraw/zinc/75/45/01/365754501.db2.gz YMXVVYUPESNSOI-GFCCVEGCSA-N 1 1 208.349 3.048 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)CCC1CCCCC1 ZINC000379939460 365754117 /nfs/dbraw/zinc/75/41/17/365754117.db2.gz YMXVVYUPESNSOI-LBPRGKRZSA-N 1 1 208.349 3.048 20 30 BGEDMO CCC[N@@H+](CCC(C)(C)C#N)CC(C)C ZINC000379961086 365766434 /nfs/dbraw/zinc/76/64/34/365766434.db2.gz GMMGUQGHJMBULF-UHFFFAOYSA-N 1 1 210.365 3.294 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000380014435 712669941 /nfs/dbraw/zinc/66/99/41/712669941.db2.gz SUUSJEDKPWYCMR-SECBINFHSA-N 1 1 243.137 3.064 20 30 BGEDMO C=C(Cl)C[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000380014437 712670045 /nfs/dbraw/zinc/67/00/45/712670045.db2.gz SUUSJEDKPWYCMR-VIFPVBQESA-N 1 1 243.137 3.064 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ncccc1CC ZINC000380021680 712672128 /nfs/dbraw/zinc/67/21/28/712672128.db2.gz WSCYHKIWGIXHNP-JTQLQIEISA-N 1 1 224.735 3.047 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ncccc1CC ZINC000380021681 712672118 /nfs/dbraw/zinc/67/21/18/712672118.db2.gz WSCYHKIWGIXHNP-SNVBAGLBSA-N 1 1 224.735 3.047 20 30 BGEDMO CC(C)C[N@@H+](CCC#N)CC1(C)CCC1 ZINC000380096837 712685936 /nfs/dbraw/zinc/68/59/36/712685936.db2.gz OOFFXPUZKHUBPU-UHFFFAOYSA-N 1 1 208.349 3.048 20 30 BGEDMO C=CCCCCCC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000380139282 712698932 /nfs/dbraw/zinc/69/89/32/712698932.db2.gz PTODRZDMMVUYDT-CABCVRRESA-N 1 1 238.419 3.195 20 30 BGEDMO C=CCCCCCC[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000380139289 712698986 /nfs/dbraw/zinc/69/89/86/712698986.db2.gz PTODRZDMMVUYDT-GJZGRUSLSA-N 1 1 238.419 3.195 20 30 BGEDMO C=CCCCCCC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000380139291 712698956 /nfs/dbraw/zinc/69/89/56/712698956.db2.gz PTODRZDMMVUYDT-HUUCEWRRSA-N 1 1 238.419 3.195 20 30 BGEDMO C=CCCCCCC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000380139297 712698942 /nfs/dbraw/zinc/69/89/42/712698942.db2.gz PTODRZDMMVUYDT-LSDHHAIUSA-N 1 1 238.419 3.195 20 30 BGEDMO CC[N@@H+](Cc1cccc(C#N)c1)CC(C)(C)C ZINC000380142930 343682949 /nfs/dbraw/zinc/68/29/49/343682949.db2.gz GSTOSSUNZARUBI-UHFFFAOYSA-N 1 1 230.355 3.426 20 30 BGEDMO C=CCCC[C@H](C)Nc1cc[nH+]cc1Cl ZINC000380249650 366079634 /nfs/dbraw/zinc/07/96/34/366079634.db2.gz OYGXLXYMTUHUHJ-JTQLQIEISA-N 1 1 224.735 3.314 20 30 BGEDMO C=CCCC[C@@H](C)Nc1cc[nH+]cc1Cl ZINC000380249657 366079037 /nfs/dbraw/zinc/07/90/37/366079037.db2.gz OYGXLXYMTUHUHJ-SNVBAGLBSA-N 1 1 224.735 3.314 20 30 BGEDMO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380377056 367194879 /nfs/dbraw/zinc/19/48/79/367194879.db2.gz FAFCXOAPXRRJIT-BETUJISGSA-N 1 1 234.387 3.294 20 30 BGEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)C(C)(C)C1 ZINC000380464443 350855959 /nfs/dbraw/zinc/85/59/59/350855959.db2.gz RCASCAZSWFNZCU-GFCCVEGCSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C(C)(C)C1 ZINC000380464448 350855978 /nfs/dbraw/zinc/85/59/78/350855978.db2.gz RCASCAZSWFNZCU-LBPRGKRZSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H]1C ZINC000380741289 344437104 /nfs/dbraw/zinc/43/71/04/344437104.db2.gz RVXQSHRZOONEQZ-QWRGUYRKSA-N 1 1 248.757 3.442 20 30 BGEDMO C=CCCCCCCC[NH2+]Cc1c[nH]cn1 ZINC000381254130 710613843 /nfs/dbraw/zinc/61/38/43/710613843.db2.gz QGFBZRUUVFZGAY-UHFFFAOYSA-N 1 1 221.348 3.026 20 30 BGEDMO CCC#C[C@H](C)[NH2+][C@H](CC)c1nc(C)cs1 ZINC000381371489 538999268 /nfs/dbraw/zinc/99/92/68/538999268.db2.gz HQTCBYJQTFHMCI-CMPLNLGQSA-N 1 1 236.384 3.294 20 30 BGEDMO CCC#C[C@H](C)[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000381371490 538999092 /nfs/dbraw/zinc/99/90/92/538999092.db2.gz HQTCBYJQTFHMCI-JQWIXIFHSA-N 1 1 236.384 3.294 20 30 BGEDMO CCC#C[C@@H](C)[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000381371491 538999537 /nfs/dbraw/zinc/99/95/37/538999537.db2.gz HQTCBYJQTFHMCI-PWSUYJOCSA-N 1 1 236.384 3.294 20 30 BGEDMO CCC#C[C@@H](C)[NH2+][C@H](CC)c1nc(C)cs1 ZINC000381371492 538999127 /nfs/dbraw/zinc/99/91/27/538999127.db2.gz HQTCBYJQTFHMCI-ZYHUDNBSSA-N 1 1 236.384 3.294 20 30 BGEDMO C[C@H](CC#N)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000381380790 344499725 /nfs/dbraw/zinc/49/97/25/344499725.db2.gz KMFZARSLDAZTTM-SECBINFHSA-N 1 1 224.254 3.016 20 30 BGEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000381380808 344499554 /nfs/dbraw/zinc/49/95/54/344499554.db2.gz KMFZARSLDAZTTM-VIFPVBQESA-N 1 1 224.254 3.016 20 30 BGEDMO Cc1cc(C[NH2+]CC2(C#N)CC2)ccc1Cl ZINC000381392857 367392494 /nfs/dbraw/zinc/39/24/94/367392494.db2.gz OQEAOGAGDJNRAN-UHFFFAOYSA-N 1 1 234.730 3.042 20 30 BGEDMO C[C@H](CC#N)[NH2+]Cc1cccc(C(F)F)c1 ZINC000381448869 344506891 /nfs/dbraw/zinc/50/68/91/344506891.db2.gz GTVWMNCSIHSKHL-SECBINFHSA-N 1 1 224.254 3.016 20 30 BGEDMO C[C@@H](CC#N)[NH2+]Cc1cccc(C(F)F)c1 ZINC000381448870 344506955 /nfs/dbraw/zinc/50/69/55/344506955.db2.gz GTVWMNCSIHSKHL-VIFPVBQESA-N 1 1 224.254 3.016 20 30 BGEDMO C[C@H](CC#N)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000381449522 344507037 /nfs/dbraw/zinc/50/70/37/344507037.db2.gz GYMBFYAPHLYMSB-NOZJJQNGSA-N 1 1 234.730 3.219 20 30 BGEDMO C[C@H](CC#N)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000381449526 344506758 /nfs/dbraw/zinc/50/67/58/344506758.db2.gz GYMBFYAPHLYMSB-RNCFNFMXSA-N 1 1 234.730 3.219 20 30 BGEDMO C[C@@H](CC#N)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000381449527 344506850 /nfs/dbraw/zinc/50/68/50/344506850.db2.gz GYMBFYAPHLYMSB-TVQRCGJNSA-N 1 1 234.730 3.219 20 30 BGEDMO C[C@@H](CC#N)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000381449528 344506839 /nfs/dbraw/zinc/50/68/39/344506839.db2.gz GYMBFYAPHLYMSB-ZANVPECISA-N 1 1 234.730 3.219 20 30 BGEDMO Cc1cc([C@H](C)[NH2+]CC(C)(C)C#N)cs1 ZINC000381542262 710652354 /nfs/dbraw/zinc/65/23/54/710652354.db2.gz DHFIFVCVUFBFGK-JTQLQIEISA-N 1 1 222.357 3.257 20 30 BGEDMO Cc1cc([C@@H](C)[NH2+]CC(C)(C)C#N)cs1 ZINC000381542263 710652299 /nfs/dbraw/zinc/65/22/99/710652299.db2.gz DHFIFVCVUFBFGK-SNVBAGLBSA-N 1 1 222.357 3.257 20 30 BGEDMO C=C(Cl)C[NH2+]Cc1nccc2ccccc21 ZINC000381576682 710657373 /nfs/dbraw/zinc/65/73/73/710657373.db2.gz BGHKUFNFTXJPFA-UHFFFAOYSA-N 1 1 232.714 3.077 20 30 BGEDMO Cc1ccc(C[NH2+]CC2(C#N)CC2)cc1Cl ZINC000381585175 367433388 /nfs/dbraw/zinc/43/33/88/367433388.db2.gz HFIVASBIMPCOPI-UHFFFAOYSA-N 1 1 234.730 3.042 20 30 BGEDMO CC[N@@H+](CCC#N)C[C@H]1CCCCC1(F)F ZINC000381590211 367434484 /nfs/dbraw/zinc/43/44/84/367434484.db2.gz DILAPDKZTCRGTI-LLVKDONJSA-N 1 1 230.302 3.047 20 30 BGEDMO CC[N@H+](CCC#N)C[C@H]1CCCCC1(F)F ZINC000381590211 367434475 /nfs/dbraw/zinc/43/44/75/367434475.db2.gz DILAPDKZTCRGTI-LLVKDONJSA-N 1 1 230.302 3.047 20 30 BGEDMO CC[N@@H+](CCC#N)C[C@@H]1CCCCC1(F)F ZINC000381590212 367434146 /nfs/dbraw/zinc/43/41/46/367434146.db2.gz DILAPDKZTCRGTI-NSHDSACASA-N 1 1 230.302 3.047 20 30 BGEDMO CC[N@H+](CCC#N)C[C@@H]1CCCCC1(F)F ZINC000381590212 367434139 /nfs/dbraw/zinc/43/41/39/367434139.db2.gz DILAPDKZTCRGTI-NSHDSACASA-N 1 1 230.302 3.047 20 30 BGEDMO CC(=[NH+]OCC1CC1)c1ccc(N)cc1Cl ZINC000381613944 710661949 /nfs/dbraw/zinc/66/19/49/710661949.db2.gz UGOCJUJADPXONW-UHFFFAOYSA-N 1 1 238.718 3.073 20 30 BGEDMO C[N@@H+](CCCCC(C)(C)C#N)C(C)(C)C ZINC000381989061 347061346 /nfs/dbraw/zinc/06/13/46/347061346.db2.gz KEUVHHQPOLXYQG-UHFFFAOYSA-N 1 1 210.365 3.437 20 30 BGEDMO CCCCCCCC[N@@H+](C)[C@H](CC)CO ZINC000382080391 710774184 /nfs/dbraw/zinc/77/41/84/710774184.db2.gz IBOLTVLNMMRVTF-CYBMUJFWSA-N 1 1 215.381 3.050 20 30 BGEDMO CCCCCCCC[N@@H+](C)[C@@H](CC)CO ZINC000382080400 710773382 /nfs/dbraw/zinc/77/33/82/710773382.db2.gz IBOLTVLNMMRVTF-ZDUSSCGKSA-N 1 1 215.381 3.050 20 30 BGEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)C(C)(C)C ZINC000382093114 347247150 /nfs/dbraw/zinc/24/71/50/347247150.db2.gz HJFLKVXJKOMXGM-UHFFFAOYSA-N 1 1 236.746 3.442 20 30 BGEDMO CC(=[NH+]OC1CCC1)c1ccc(Cl)c(N)c1 ZINC000382096082 710774525 /nfs/dbraw/zinc/77/45/25/710774525.db2.gz DSSOOQXMDZQVMV-UHFFFAOYSA-N 1 1 238.718 3.215 20 30 BGEDMO CC[C@@H]([NH2+]CC(C)(C)C#N)c1ccsc1 ZINC000382143696 710799237 /nfs/dbraw/zinc/79/92/37/710799237.db2.gz RAWNFRLDXWRQBX-LLVKDONJSA-N 1 1 222.357 3.339 20 30 BGEDMO CC[C@H]([NH2+]CC(C)(C)C#N)c1ccsc1 ZINC000382143703 710800239 /nfs/dbraw/zinc/80/02/39/710800239.db2.gz RAWNFRLDXWRQBX-NSHDSACASA-N 1 1 222.357 3.339 20 30 BGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)C(C)(C)C ZINC000382146867 347398586 /nfs/dbraw/zinc/39/85/86/347398586.db2.gz QUSIRQKJSHBDRL-UHFFFAOYSA-N 1 1 246.354 3.057 20 30 BGEDMO C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)[C@@H]1C ZINC000382358063 367510562 /nfs/dbraw/zinc/51/05/62/367510562.db2.gz KWHAAHHPQKCRNE-CHWSQXEVSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)[C@H]1C ZINC000382358064 367510724 /nfs/dbraw/zinc/51/07/24/367510724.db2.gz KWHAAHHPQKCRNE-OLZOCXBDSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H]1[C@@H](C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000382358065 367510809 /nfs/dbraw/zinc/51/08/09/367510809.db2.gz KWHAAHHPQKCRNE-QWHCGFSZSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)[C@H]1C ZINC000382358066 367510767 /nfs/dbraw/zinc/51/07/67/367510767.db2.gz KWHAAHHPQKCRNE-STQMWFEESA-N 1 1 222.376 3.437 20 30 BGEDMO CCO[NH+]=C(CC)c1ccc(Cl)c(N)c1 ZINC000382404343 711618769 /nfs/dbraw/zinc/61/87/69/711618769.db2.gz RKFOACCNYCJPLQ-UHFFFAOYSA-N 1 1 226.707 3.073 20 30 BGEDMO C#CCCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000382502825 710971043 /nfs/dbraw/zinc/97/10/43/710971043.db2.gz RUNLELYMXFIAQZ-UHFFFAOYSA-N 1 1 205.345 3.078 20 30 BGEDMO C=CC[N@H+](CCC(=O)OC(C)(C)C)C(C)(C)C ZINC000382548168 411395767 /nfs/dbraw/zinc/39/57/67/411395767.db2.gz QTSFAVZOTNRULV-UHFFFAOYSA-N 1 1 241.375 3.005 20 30 BGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000382658359 711547118 /nfs/dbraw/zinc/54/71/18/711547118.db2.gz RURFHNNFWVNTTI-JTQLQIEISA-N 1 1 248.292 3.201 20 30 BGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000382658396 711547104 /nfs/dbraw/zinc/54/71/04/711547104.db2.gz RURFHNNFWVNTTI-SNVBAGLBSA-N 1 1 248.292 3.201 20 30 BGEDMO CS[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000382959788 347508206 /nfs/dbraw/zinc/50/82/06/347508206.db2.gz QUYLACXCECQRET-GFCCVEGCSA-N 1 1 240.416 3.144 20 30 BGEDMO CS[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000382959790 367573775 /nfs/dbraw/zinc/57/37/75/367573775.db2.gz QUYLACXCECQRET-LBPRGKRZSA-N 1 1 240.416 3.144 20 30 BGEDMO C[C@H](c1ccccc1)[N@@H+](C)CC1(CC#N)CC1 ZINC000383941074 355805207 /nfs/dbraw/zinc/80/52/07/355805207.db2.gz LRKNZFDILAUXLA-CYBMUJFWSA-N 1 1 228.339 3.373 20 30 BGEDMO C[C@@H](c1ccccc1)[N@@H+](C)CC1(CC#N)CC1 ZINC000383941075 355805319 /nfs/dbraw/zinc/80/53/19/355805319.db2.gz LRKNZFDILAUXLA-ZDUSSCGKSA-N 1 1 228.339 3.373 20 30 BGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ccn(C(CC)CC)n1 ZINC000384231031 710993461 /nfs/dbraw/zinc/99/34/61/710993461.db2.gz XHWFXIQQJCLFKA-HNNXBMFYSA-N 1 1 247.386 3.136 20 30 BGEDMO C#C[C@](C)(CC)[NH2+]Cc1ccn(C(CC)CC)n1 ZINC000384231032 710836901 /nfs/dbraw/zinc/83/69/01/710836901.db2.gz XHWFXIQQJCLFKA-OAHLLOKOSA-N 1 1 247.386 3.136 20 30 BGEDMO N#CCC1(C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000384414125 356645878 /nfs/dbraw/zinc/64/58/78/356645878.db2.gz NBWLWJJNLBYVOJ-UHFFFAOYSA-N 1 1 240.350 3.345 20 30 BGEDMO CC(C)[N@@H+](CCC#N)C[C@H](C)c1ccccc1 ZINC000384546891 367698947 /nfs/dbraw/zinc/69/89/47/367698947.db2.gz FTNYGWYYKTZMPU-AWEZNQCLSA-N 1 1 230.355 3.414 20 30 BGEDMO CC(C)[N@@H+](CCC#N)C[C@@H](C)c1ccccc1 ZINC000384546894 367698427 /nfs/dbraw/zinc/69/84/27/367698427.db2.gz FTNYGWYYKTZMPU-CQSZACIVSA-N 1 1 230.355 3.414 20 30 BGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000384562943 710918838 /nfs/dbraw/zinc/91/88/38/710918838.db2.gz HZVBQKQCRGPSIL-KBPBESRZSA-N 1 1 228.339 3.026 20 30 BGEDMO C[C@H](C[N@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000384562947 710918222 /nfs/dbraw/zinc/91/82/22/710918222.db2.gz HZVBQKQCRGPSIL-KGLIPLIRSA-N 1 1 228.339 3.026 20 30 BGEDMO C[C@@H](C[N@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000384562948 710917559 /nfs/dbraw/zinc/91/75/59/710917559.db2.gz HZVBQKQCRGPSIL-UONOGXRCSA-N 1 1 228.339 3.026 20 30 BGEDMO C[C@H](C[N@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000384562949 710918029 /nfs/dbraw/zinc/91/80/29/710918029.db2.gz HZVBQKQCRGPSIL-ZIAGYGMSSA-N 1 1 228.339 3.026 20 30 BGEDMO C=CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000384627259 398099710 /nfs/dbraw/zinc/09/97/10/398099710.db2.gz ALUIOGQQDATPHN-UHFFFAOYSA-N 1 1 245.153 3.193 20 30 BGEDMO CCCCCCCCC[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000384965758 711001869 /nfs/dbraw/zinc/00/18/69/711001869.db2.gz UMCKPWHSZCNHMB-KBPBESRZSA-N 1 1 227.392 3.192 20 30 BGEDMO CCCCCCCCC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000384965760 711001586 /nfs/dbraw/zinc/00/15/86/711001586.db2.gz UMCKPWHSZCNHMB-KGLIPLIRSA-N 1 1 227.392 3.192 20 30 BGEDMO CCCCCCCCC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000384965762 711001492 /nfs/dbraw/zinc/00/14/92/711001492.db2.gz UMCKPWHSZCNHMB-UONOGXRCSA-N 1 1 227.392 3.192 20 30 BGEDMO CCCCCCCCC[N@H+]1C[C@H](O)C[C@H]1C ZINC000384965763 711001991 /nfs/dbraw/zinc/00/19/91/711001991.db2.gz UMCKPWHSZCNHMB-ZIAGYGMSSA-N 1 1 227.392 3.192 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@@H](CO)[C@@H]1CC ZINC000385854940 711018972 /nfs/dbraw/zinc/01/89/72/711018972.db2.gz YJOSDIJJOOUJCL-KBPBESRZSA-N 1 1 227.392 3.050 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@H](CO)[C@@H]1CC ZINC000385854941 711018568 /nfs/dbraw/zinc/01/85/68/711018568.db2.gz YJOSDIJJOOUJCL-KGLIPLIRSA-N 1 1 227.392 3.050 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@@H](CO)[C@H]1CC ZINC000385854943 711019517 /nfs/dbraw/zinc/01/95/17/711019517.db2.gz YJOSDIJJOOUJCL-UONOGXRCSA-N 1 1 227.392 3.050 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@H](CO)[C@H]1CC ZINC000385854944 711018923 /nfs/dbraw/zinc/01/89/23/711018923.db2.gz YJOSDIJJOOUJCL-ZIAGYGMSSA-N 1 1 227.392 3.050 20 30 BGEDMO C=C(C)CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000386687763 711035044 /nfs/dbraw/zinc/03/50/44/711035044.db2.gz JRNWXROTLVODSI-JTQLQIEISA-N 1 1 223.291 3.148 20 30 BGEDMO C=C(C)CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000386687764 711034954 /nfs/dbraw/zinc/03/49/54/711034954.db2.gz JRNWXROTLVODSI-SNVBAGLBSA-N 1 1 223.291 3.148 20 30 BGEDMO C=CCCCCC[NH2+]C1CCN(C(C)C)CC1 ZINC000387462619 368215275 /nfs/dbraw/zinc/21/52/75/368215275.db2.gz XDMKHHUKTVWVCX-UHFFFAOYSA-N 1 1 238.419 3.195 20 30 BGEDMO CCCCCCCCC[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000387875527 711047543 /nfs/dbraw/zinc/04/75/43/711047543.db2.gz CCORRGVVVLKAQK-KBPBESRZSA-N 1 1 227.392 3.050 20 30 BGEDMO CCCCCCCCC[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000387875529 711048607 /nfs/dbraw/zinc/04/86/07/711048607.db2.gz CCORRGVVVLKAQK-KGLIPLIRSA-N 1 1 227.392 3.050 20 30 BGEDMO CCCCCCCCC[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000387875530 711047789 /nfs/dbraw/zinc/04/77/89/711047789.db2.gz CCORRGVVVLKAQK-UONOGXRCSA-N 1 1 227.392 3.050 20 30 BGEDMO CCCCCCCCC[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000387875531 711047482 /nfs/dbraw/zinc/04/74/82/711047482.db2.gz CCORRGVVVLKAQK-ZIAGYGMSSA-N 1 1 227.392 3.050 20 30 BGEDMO CCCCCCCC[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000388026689 711049902 /nfs/dbraw/zinc/04/99/02/711049902.db2.gz KHGNHDMXOVCKOL-CYBMUJFWSA-N 1 1 227.392 3.050 20 30 BGEDMO CCCCCCCC[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000388026690 711049787 /nfs/dbraw/zinc/04/97/87/711049787.db2.gz KHGNHDMXOVCKOL-ZDUSSCGKSA-N 1 1 227.392 3.050 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC(CC)(CC)C1 ZINC000388337881 711058743 /nfs/dbraw/zinc/05/87/43/711058743.db2.gz IFVWMQLRYGALTF-UHFFFAOYSA-N 1 1 201.741 3.251 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CC(C)C ZINC000388583624 711062455 /nfs/dbraw/zinc/06/24/55/711062455.db2.gz GOIQTAFMCKHHBN-LLVKDONJSA-N 1 1 201.741 3.249 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CC(C)C ZINC000388583628 711765041 /nfs/dbraw/zinc/76/50/41/711765041.db2.gz GOIQTAFMCKHHBN-NSHDSACASA-N 1 1 201.741 3.249 20 30 BGEDMO C=CC[N@@H+](C[C@H]1CC1(Cl)Cl)C(C)C ZINC000388751766 711066764 /nfs/dbraw/zinc/06/67/64/711066764.db2.gz BWHWWDVFVXEHGU-SECBINFHSA-N 1 1 222.159 3.077 20 30 BGEDMO C=CC[N@@H+](C[C@@H]1CC1(Cl)Cl)C(C)C ZINC000388751767 711066338 /nfs/dbraw/zinc/06/63/38/711066338.db2.gz BWHWWDVFVXEHGU-VIFPVBQESA-N 1 1 222.159 3.077 20 30 BGEDMO C#CCCC[N@H+]1CCC2(C1)CCCCC2 ZINC000389340095 711076990 /nfs/dbraw/zinc/07/69/90/711076990.db2.gz QPQRKILFUDNLFJ-UHFFFAOYSA-N 1 1 205.345 3.056 20 30 BGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCC(C)(C)C#N ZINC000389563969 356991582 /nfs/dbraw/zinc/99/15/82/356991582.db2.gz NXRRNGWYUAITAJ-NEPJUHHUSA-N 1 1 208.349 3.047 20 30 BGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCC(C)(C)C#N ZINC000389563970 356991741 /nfs/dbraw/zinc/99/17/41/356991741.db2.gz NXRRNGWYUAITAJ-NWDGAFQWSA-N 1 1 208.349 3.047 20 30 BGEDMO CC[C@H]1C[C@H](C)C[N@H+]1CCC(C)(C)C#N ZINC000389563971 356991447 /nfs/dbraw/zinc/99/14/47/356991447.db2.gz NXRRNGWYUAITAJ-RYUDHWBXSA-N 1 1 208.349 3.047 20 30 BGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCC(C)(C)C#N ZINC000389563972 356991586 /nfs/dbraw/zinc/99/15/86/356991586.db2.gz NXRRNGWYUAITAJ-VXGBXAGGSA-N 1 1 208.349 3.047 20 30 BGEDMO CC[N@@H+](CC(C)(C)C)CC1(CC#N)CC1 ZINC000389744638 352556049 /nfs/dbraw/zinc/55/60/49/352556049.db2.gz WYAOAGTTYZCWFY-UHFFFAOYSA-N 1 1 208.349 3.048 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000389859581 711093888 /nfs/dbraw/zinc/09/38/88/711093888.db2.gz CPJXBNURXCBKFI-JTQLQIEISA-N 1 1 224.735 3.102 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(C)nc1C ZINC000389859582 711093971 /nfs/dbraw/zinc/09/39/71/711093971.db2.gz CPJXBNURXCBKFI-SNVBAGLBSA-N 1 1 224.735 3.102 20 30 BGEDMO Cc1cc(Cl)ccc1C[NH2+][C@@H](C)CC#N ZINC000389871608 711787596 /nfs/dbraw/zinc/78/75/96/711787596.db2.gz JSVUBBIXSAIWGP-JTQLQIEISA-N 1 1 222.719 3.040 20 30 BGEDMO Cc1cc(Cl)ccc1C[NH2+][C@H](C)CC#N ZINC000389871610 711094172 /nfs/dbraw/zinc/09/41/72/711094172.db2.gz JSVUBBIXSAIWGP-SNVBAGLBSA-N 1 1 222.719 3.040 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@@H](O)C1(C)C ZINC000390104274 711106233 /nfs/dbraw/zinc/10/62/33/711106233.db2.gz BKHDOBGCMHJMIE-CYBMUJFWSA-N 1 1 227.392 3.192 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@H](O)C1(C)C ZINC000390104276 711106249 /nfs/dbraw/zinc/10/62/49/711106249.db2.gz BKHDOBGCMHJMIE-ZDUSSCGKSA-N 1 1 227.392 3.192 20 30 BGEDMO CC(C)c1ccccc1C[NH2+][C@H](C)CC#N ZINC000390190380 711108850 /nfs/dbraw/zinc/10/88/50/711108850.db2.gz NCZMVLWDBPVWPM-GFCCVEGCSA-N 1 1 216.328 3.202 20 30 BGEDMO CC(C)c1ccccc1C[NH2+][C@@H](C)CC#N ZINC000390190398 711109103 /nfs/dbraw/zinc/10/91/03/711109103.db2.gz NCZMVLWDBPVWPM-LBPRGKRZSA-N 1 1 216.328 3.202 20 30 BGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000390443043 711117409 /nfs/dbraw/zinc/11/74/09/711117409.db2.gz WFDUCFCJXVHNLG-KBPBESRZSA-N 1 1 218.344 3.111 20 30 BGEDMO N#C[C@H]1CCC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000390443049 711117246 /nfs/dbraw/zinc/11/72/46/711117246.db2.gz WFDUCFCJXVHNLG-KGLIPLIRSA-N 1 1 218.344 3.111 20 30 BGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000390443051 711118169 /nfs/dbraw/zinc/11/81/69/711118169.db2.gz WFDUCFCJXVHNLG-UONOGXRCSA-N 1 1 218.344 3.111 20 30 BGEDMO N#C[C@H]1CCC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000390443053 711117554 /nfs/dbraw/zinc/11/75/54/711117554.db2.gz WFDUCFCJXVHNLG-ZIAGYGMSSA-N 1 1 218.344 3.111 20 30 BGEDMO C=CC[C@H](CC)Nc1cc[nH+]c2ccsc21 ZINC000390543454 259393335 /nfs/dbraw/zinc/39/33/35/259393335.db2.gz MBHIIOXOKLGIHG-JTQLQIEISA-N 1 1 232.352 3.485 20 30 BGEDMO C=CC[C@@H](CC)Nc1cc[nH+]c2ccsc21 ZINC000390543459 259393220 /nfs/dbraw/zinc/39/32/20/259393220.db2.gz MBHIIOXOKLGIHG-SNVBAGLBSA-N 1 1 232.352 3.485 20 30 BGEDMO CCC#C[C@@H](C)[NH2+][C@H](C)c1csc(CC)n1 ZINC000390620770 539026814 /nfs/dbraw/zinc/02/68/14/539026814.db2.gz IKHJEZJFEJWKFB-GHMZBOCLSA-N 1 1 236.384 3.158 20 30 BGEDMO CCC#C[C@@H](C)[NH2+][C@@H](C)c1csc(CC)n1 ZINC000390620771 538049810 /nfs/dbraw/zinc/04/98/10/538049810.db2.gz IKHJEZJFEJWKFB-MNOVXSKESA-N 1 1 236.384 3.158 20 30 BGEDMO CCC#C[C@H](C)[NH2+][C@@H](C)c1csc(CC)n1 ZINC000390620776 539026754 /nfs/dbraw/zinc/02/67/54/539026754.db2.gz IKHJEZJFEJWKFB-QWRGUYRKSA-N 1 1 236.384 3.158 20 30 BGEDMO CCC#C[C@H](C)[NH2+][C@H](C)c1csc(CC)n1 ZINC000390620783 537798671 /nfs/dbraw/zinc/79/86/71/537798671.db2.gz IKHJEZJFEJWKFB-WDEREUQCSA-N 1 1 236.384 3.158 20 30 BGEDMO C=CCCCn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000390747195 259399561 /nfs/dbraw/zinc/39/95/61/259399561.db2.gz AWCLARQVYAJQHY-NEPJUHHUSA-N 1 1 218.344 3.220 20 30 BGEDMO C=CCCCn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000390747196 259399743 /nfs/dbraw/zinc/39/97/43/259399743.db2.gz AWCLARQVYAJQHY-NWDGAFQWSA-N 1 1 218.344 3.220 20 30 BGEDMO C=CCCCn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000390747197 259399506 /nfs/dbraw/zinc/39/95/06/259399506.db2.gz AWCLARQVYAJQHY-RYUDHWBXSA-N 1 1 218.344 3.220 20 30 BGEDMO C=CCCCn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000390747198 259399372 /nfs/dbraw/zinc/39/93/72/259399372.db2.gz AWCLARQVYAJQHY-VXGBXAGGSA-N 1 1 218.344 3.220 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000390816345 711135776 /nfs/dbraw/zinc/13/57/76/711135776.db2.gz LLWBNUBPRIZYEH-GFCCVEGCSA-N 1 1 237.730 3.112 20 30 BGEDMO C=C(Cl)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000390816346 711136131 /nfs/dbraw/zinc/13/61/31/711136131.db2.gz LLWBNUBPRIZYEH-LBPRGKRZSA-N 1 1 237.730 3.112 20 30 BGEDMO CCCCCCCC[N@H+]1CCC[C@H](O)CC1 ZINC000393486039 711498898 /nfs/dbraw/zinc/49/88/98/711498898.db2.gz MLXOWTKXZDTTFB-AWEZNQCLSA-N 1 1 227.392 3.194 20 30 BGEDMO CCCCCCCC[N@H+]1CCC[C@@H](O)CC1 ZINC000393486040 710607973 /nfs/dbraw/zinc/60/79/73/710607973.db2.gz MLXOWTKXZDTTFB-CQSZACIVSA-N 1 1 227.392 3.194 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000393560133 357287499 /nfs/dbraw/zinc/28/74/99/357287499.db2.gz NUYGTHONCUVNNC-CHWSQXEVSA-N 1 1 234.387 3.437 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000393560135 357287776 /nfs/dbraw/zinc/28/77/76/357287776.db2.gz NUYGTHONCUVNNC-OLZOCXBDSA-N 1 1 234.387 3.437 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000393560138 357287246 /nfs/dbraw/zinc/28/72/46/357287246.db2.gz NUYGTHONCUVNNC-QWHCGFSZSA-N 1 1 234.387 3.437 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000393560139 357287738 /nfs/dbraw/zinc/28/77/38/357287738.db2.gz NUYGTHONCUVNNC-STQMWFEESA-N 1 1 234.387 3.437 20 30 BGEDMO C=CC[C@H](CC)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000393750225 387953886 /nfs/dbraw/zinc/95/38/86/387953886.db2.gz NVGRIVDEROKWFT-CQDKDKBSSA-N 1 1 230.355 3.076 20 30 BGEDMO C=CC[C@H](CC)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000393750227 387953990 /nfs/dbraw/zinc/95/39/90/387953990.db2.gz NVGRIVDEROKWFT-GLQYFDAESA-N 1 1 230.355 3.076 20 30 BGEDMO C=CC[C@H](CC)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000393750229 387954887 /nfs/dbraw/zinc/95/48/87/387954887.db2.gz NVGRIVDEROKWFT-NILFDRSVSA-N 1 1 230.355 3.076 20 30 BGEDMO C=CC[C@H](CC)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000393750231 388440111 /nfs/dbraw/zinc/44/01/11/388440111.db2.gz NVGRIVDEROKWFT-TUKIKUTGSA-N 1 1 230.355 3.076 20 30 BGEDMO C=CCCCCC[C@@H](C)[NH2+]Cc1ccn[nH]1 ZINC000393778934 711677949 /nfs/dbraw/zinc/67/79/49/711677949.db2.gz MVNNAWUJXGIKMW-GFCCVEGCSA-N 1 1 221.348 3.024 20 30 BGEDMO C=CCCCCC[C@H](C)[NH2+]Cc1ccn[nH]1 ZINC000393778936 711173953 /nfs/dbraw/zinc/17/39/53/711173953.db2.gz MVNNAWUJXGIKMW-LBPRGKRZSA-N 1 1 221.348 3.024 20 30 BGEDMO CC[N@@H+](CCC#N)CCC1=CCCCC1 ZINC000395311083 386810847 /nfs/dbraw/zinc/81/08/47/386810847.db2.gz GZESYNZQXFUJBH-UHFFFAOYSA-N 1 1 206.333 3.112 20 30 BGEDMO N#C[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC000395315552 711207403 /nfs/dbraw/zinc/20/74/03/711207403.db2.gz ITBAWBVFVPULBS-AWEZNQCLSA-N 1 1 218.344 3.112 20 30 BGEDMO N#C[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC000395315553 711207151 /nfs/dbraw/zinc/20/71/51/711207151.db2.gz ITBAWBVFVPULBS-CQSZACIVSA-N 1 1 218.344 3.112 20 30 BGEDMO CC[N@@H+](CCC1=CCCCC1)C[C@H](C)C#N ZINC000395327139 386814749 /nfs/dbraw/zinc/81/47/49/386814749.db2.gz PRSYFUJOLUDXOK-CYBMUJFWSA-N 1 1 220.360 3.358 20 30 BGEDMO CC[N@@H+](CCC1=CCCCC1)C[C@@H](C)C#N ZINC000395327141 386812965 /nfs/dbraw/zinc/81/29/65/386812965.db2.gz PRSYFUJOLUDXOK-ZDUSSCGKSA-N 1 1 220.360 3.358 20 30 BGEDMO C=CCCCCC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000395330550 386813113 /nfs/dbraw/zinc/81/31/13/386813113.db2.gz FPXHEWAFNLEDTG-AWEZNQCLSA-N 1 1 239.403 3.216 20 30 BGEDMO C=CCCCCC[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395330554 386814238 /nfs/dbraw/zinc/81/42/38/386814238.db2.gz FPXHEWAFNLEDTG-CQSZACIVSA-N 1 1 239.403 3.216 20 30 BGEDMO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000395398835 711210199 /nfs/dbraw/zinc/21/01/99/711210199.db2.gz SAXQGIYMHGZYJA-JTQLQIEISA-N 1 1 237.318 3.394 20 30 BGEDMO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000395398837 711208468 /nfs/dbraw/zinc/20/84/68/711208468.db2.gz SAXQGIYMHGZYJA-SNVBAGLBSA-N 1 1 237.318 3.394 20 30 BGEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C1CC(C)(C)C1 ZINC000395452300 384296214 /nfs/dbraw/zinc/29/62/14/384296214.db2.gz AKJOHDIZVXERLS-UHFFFAOYSA-N 1 1 246.329 3.318 20 30 BGEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CC(C)(C)C1 ZINC000395474200 384306537 /nfs/dbraw/zinc/30/65/37/384306537.db2.gz LNEVGEYBFIOOLD-UHFFFAOYSA-N 1 1 228.339 3.179 20 30 BGEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000395484750 384317710 /nfs/dbraw/zinc/31/77/10/384317710.db2.gz PBKITAZPEUVNKM-UHFFFAOYSA-N 1 1 228.339 3.179 20 30 BGEDMO C[N@@H+](CCCC(C)(C)C#N)C1CC(C)(C)C1 ZINC000395490735 386844558 /nfs/dbraw/zinc/84/45/58/386844558.db2.gz QOHYYDDWWWTNEV-UHFFFAOYSA-N 1 1 222.376 3.437 20 30 BGEDMO C[N@@H+](CCC(C)(C)C#N)C1CC(C)(C)C1 ZINC000395492609 262788499 /nfs/dbraw/zinc/78/84/99/262788499.db2.gz RNGFZKKDLFUESN-UHFFFAOYSA-N 1 1 208.349 3.047 20 30 BGEDMO C[N@@H+](Cc1ccccc1C#N)C1CC(C)(C)C1 ZINC000395493549 384329182 /nfs/dbraw/zinc/32/91/82/384329182.db2.gz SBQFBKVXYVXSKF-UHFFFAOYSA-N 1 1 228.339 3.179 20 30 BGEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C1CC(C)(C)C1 ZINC000395494341 384329314 /nfs/dbraw/zinc/32/93/14/384329314.db2.gz SLLDQJARZPWOSA-UHFFFAOYSA-N 1 1 246.329 3.318 20 30 BGEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC(C)(C)C1 ZINC000395497870 384330499 /nfs/dbraw/zinc/33/04/99/384330499.db2.gz OZLASPJIXVUOFI-UHFFFAOYSA-N 1 1 246.329 3.318 20 30 BGEDMO C[N@@H+](Cc1cccc(C#N)c1F)C1CC(C)(C)C1 ZINC000395503497 262788562 /nfs/dbraw/zinc/78/85/62/262788562.db2.gz XRMCQCQCSLXDLA-UHFFFAOYSA-N 1 1 246.329 3.318 20 30 BGEDMO C[N@@H+](Cc1cc(F)ccc1C#N)C1CC(C)(C)C1 ZINC000395506565 384458920 /nfs/dbraw/zinc/45/89/20/384458920.db2.gz SQZXBACUOMUEIS-UHFFFAOYSA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)[C@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000395763325 344560699 /nfs/dbraw/zinc/56/06/99/344560699.db2.gz BHOFZGKCJBMOKW-CYBMUJFWSA-N 1 1 220.360 3.191 20 30 BGEDMO CC(C)[C@@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000395763326 344560680 /nfs/dbraw/zinc/56/06/80/344560680.db2.gz BHOFZGKCJBMOKW-ZDUSSCGKSA-N 1 1 220.360 3.191 20 30 BGEDMO CC(C)[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000395787762 357456448 /nfs/dbraw/zinc/45/64/48/357456448.db2.gz RHPQAOVOSIPTHV-CYBMUJFWSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000395787764 349336442 /nfs/dbraw/zinc/33/64/42/349336442.db2.gz RHPQAOVOSIPTHV-ZDUSSCGKSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)C[C@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000396911714 349988817 /nfs/dbraw/zinc/98/88/17/349988817.db2.gz KJBQIWHDUVFRPR-CYBMUJFWSA-N 1 1 220.360 3.191 20 30 BGEDMO CC(C)C[C@@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000396911715 349989036 /nfs/dbraw/zinc/98/90/36/349989036.db2.gz KJBQIWHDUVFRPR-ZDUSSCGKSA-N 1 1 220.360 3.191 20 30 BGEDMO CC(C)C[C@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000396918633 357486765 /nfs/dbraw/zinc/48/67/65/357486765.db2.gz PADFHVALPMIOFZ-CYBMUJFWSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)C[C@@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000396918636 357486720 /nfs/dbraw/zinc/48/67/20/357486720.db2.gz PADFHVALPMIOFZ-ZDUSSCGKSA-N 1 1 222.376 3.437 20 30 BGEDMO COCCCC[N@@H+](C)CCCCC(C)(C)C#N ZINC000397283227 386599927 /nfs/dbraw/zinc/59/99/27/386599927.db2.gz FXKMTMHMCTYLQF-UHFFFAOYSA-N 1 1 240.391 3.065 20 30 BGEDMO N#CC[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000397561492 350916561 /nfs/dbraw/zinc/91/65/61/350916561.db2.gz ASGLDTSRZUCUGD-FAOGRTBUSA-N 1 1 240.350 3.325 20 30 BGEDMO N#CC[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000397561493 350916380 /nfs/dbraw/zinc/91/63/80/350916380.db2.gz ASGLDTSRZUCUGD-KZJSRBBCSA-N 1 1 240.350 3.325 20 30 BGEDMO N#CC[C@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000397561494 350916472 /nfs/dbraw/zinc/91/64/72/350916472.db2.gz ASGLDTSRZUCUGD-LWAXHKBTSA-N 1 1 240.350 3.325 20 30 BGEDMO N#CC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000397561495 350916556 /nfs/dbraw/zinc/91/65/56/350916556.db2.gz ASGLDTSRZUCUGD-YCOJEUHLSA-N 1 1 240.350 3.325 20 30 BGEDMO CCc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000397566202 350916463 /nfs/dbraw/zinc/91/64/63/350916463.db2.gz CNQYSLFVEBHTLC-HNNXBMFYSA-N 1 1 242.366 3.375 20 30 BGEDMO CCc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000397566203 350916590 /nfs/dbraw/zinc/91/65/90/350916590.db2.gz CNQYSLFVEBHTLC-OAHLLOKOSA-N 1 1 242.366 3.375 20 30 BGEDMO Cc1ccc(F)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397569743 350920612 /nfs/dbraw/zinc/92/06/12/350920612.db2.gz DPOWJDPELVTKDM-CYBMUJFWSA-N 1 1 246.329 3.260 20 30 BGEDMO Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397569744 350920116 /nfs/dbraw/zinc/92/01/16/350920116.db2.gz DPOWJDPELVTKDM-ZDUSSCGKSA-N 1 1 246.329 3.260 20 30 BGEDMO Cc1cccc(C)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397573229 350920299 /nfs/dbraw/zinc/92/02/99/350920299.db2.gz FLTZJXYFAPCMKK-HNNXBMFYSA-N 1 1 242.366 3.429 20 30 BGEDMO Cc1cccc(C)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397573230 350920137 /nfs/dbraw/zinc/92/01/37/350920137.db2.gz FLTZJXYFAPCMKK-OAHLLOKOSA-N 1 1 242.366 3.429 20 30 BGEDMO CC(C)(C)CCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000397580200 350930725 /nfs/dbraw/zinc/93/07/25/350930725.db2.gz FORQHRFGIBTILR-CYBMUJFWSA-N 1 1 222.376 3.438 20 30 BGEDMO CC(C)(C)CCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397580203 350930668 /nfs/dbraw/zinc/93/06/68/350930668.db2.gz FORQHRFGIBTILR-ZDUSSCGKSA-N 1 1 222.376 3.438 20 30 BGEDMO C[C@H](C[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000397588578 350949562 /nfs/dbraw/zinc/94/95/62/350949562.db2.gz HUIQVWAXPMONLS-CABCVRRESA-N 1 1 242.366 3.416 20 30 BGEDMO C[C@@H](C[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000397588580 350949912 /nfs/dbraw/zinc/94/99/12/350949912.db2.gz HUIQVWAXPMONLS-GJZGRUSLSA-N 1 1 242.366 3.416 20 30 BGEDMO C[C@H](C[N@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000397588582 350949939 /nfs/dbraw/zinc/94/99/39/350949939.db2.gz HUIQVWAXPMONLS-HUUCEWRRSA-N 1 1 242.366 3.416 20 30 BGEDMO C[C@@H](C[N@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000397588583 350949648 /nfs/dbraw/zinc/94/96/48/350949648.db2.gz HUIQVWAXPMONLS-LSDHHAIUSA-N 1 1 242.366 3.416 20 30 BGEDMO N#CC[C@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000397592271 350950579 /nfs/dbraw/zinc/95/05/79/350950579.db2.gz CAMHAPGKOQHPKU-NEPJUHHUSA-N 1 1 242.313 3.047 20 30 BGEDMO N#CC[C@@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000397592274 350950549 /nfs/dbraw/zinc/95/05/49/350950549.db2.gz CAMHAPGKOQHPKU-NWDGAFQWSA-N 1 1 242.313 3.047 20 30 BGEDMO N#CC[C@@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000397592276 350950410 /nfs/dbraw/zinc/95/04/10/350950410.db2.gz CAMHAPGKOQHPKU-RYUDHWBXSA-N 1 1 242.313 3.047 20 30 BGEDMO N#CC[C@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000397592279 350950695 /nfs/dbraw/zinc/95/06/95/350950695.db2.gz CAMHAPGKOQHPKU-VXGBXAGGSA-N 1 1 242.313 3.047 20 30 BGEDMO CC1(C[N@H+]2CCC[C@H](CC#N)C2)CCCC1 ZINC000397597133 711387795 /nfs/dbraw/zinc/38/77/95/711387795.db2.gz KOZPRGAAVOUKNO-CYBMUJFWSA-N 1 1 220.360 3.192 20 30 BGEDMO CC1(C[N@H+]2CCC[C@@H](CC#N)C2)CCCC1 ZINC000397597135 711387881 /nfs/dbraw/zinc/38/78/81/711387881.db2.gz KOZPRGAAVOUKNO-ZDUSSCGKSA-N 1 1 220.360 3.192 20 30 BGEDMO CC(C)(C)SCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000397598591 711388146 /nfs/dbraw/zinc/38/81/46/711388146.db2.gz FFPRAUFOYOAMPD-GFCCVEGCSA-N 1 1 240.416 3.144 20 30 BGEDMO CC(C)(C)SCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397598594 711387864 /nfs/dbraw/zinc/38/78/64/711387864.db2.gz FFPRAUFOYOAMPD-LBPRGKRZSA-N 1 1 240.416 3.144 20 30 BGEDMO C=CCCCCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397599131 350957201 /nfs/dbraw/zinc/95/72/01/350957201.db2.gz LEUQRGYSFPCPBT-AWEZNQCLSA-N 1 1 220.360 3.358 20 30 BGEDMO C=CCCCCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000397599134 350957280 /nfs/dbraw/zinc/95/72/80/350957280.db2.gz LEUQRGYSFPCPBT-CQSZACIVSA-N 1 1 220.360 3.358 20 30 BGEDMO Cc1ccccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397613348 350952222 /nfs/dbraw/zinc/95/22/22/350952222.db2.gz IZJXRXQHELBPFR-AWEZNQCLSA-N 1 1 228.339 3.121 20 30 BGEDMO Cc1ccccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397613352 350952306 /nfs/dbraw/zinc/95/23/06/350952306.db2.gz IZJXRXQHELBPFR-CQSZACIVSA-N 1 1 228.339 3.121 20 30 BGEDMO CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397630972 350954585 /nfs/dbraw/zinc/95/45/85/350954585.db2.gz UNZVGHGLUSKKAD-KBPBESRZSA-N 1 1 222.376 3.294 20 30 BGEDMO CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397630973 350954845 /nfs/dbraw/zinc/95/48/45/350954845.db2.gz UNZVGHGLUSKKAD-KGLIPLIRSA-N 1 1 222.376 3.294 20 30 BGEDMO CC(C)C[C@H](C)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397630974 350954671 /nfs/dbraw/zinc/95/46/71/350954671.db2.gz UNZVGHGLUSKKAD-UONOGXRCSA-N 1 1 222.376 3.294 20 30 BGEDMO CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397630976 350954848 /nfs/dbraw/zinc/95/48/48/350954848.db2.gz UNZVGHGLUSKKAD-ZIAGYGMSSA-N 1 1 222.376 3.294 20 30 BGEDMO N#CC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000397631044 350954809 /nfs/dbraw/zinc/95/48/09/350954809.db2.gz URKKZQHQGRTOHU-AWEZNQCLSA-N 1 1 220.360 3.192 20 30 BGEDMO N#CC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000397631046 350954819 /nfs/dbraw/zinc/95/48/19/350954819.db2.gz URKKZQHQGRTOHU-CQSZACIVSA-N 1 1 220.360 3.192 20 30 BGEDMO Cc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000397634929 350955534 /nfs/dbraw/zinc/95/55/34/350955534.db2.gz PITTZTIWEXFIIJ-AWEZNQCLSA-N 1 1 228.339 3.121 20 30 BGEDMO N#CC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000397647406 350956838 /nfs/dbraw/zinc/95/68/38/350956838.db2.gz ZQHREOVIEAOUIU-AWEZNQCLSA-N 1 1 220.360 3.192 20 30 BGEDMO N#CC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000397647410 350957460 /nfs/dbraw/zinc/95/74/60/350957460.db2.gz ZQHREOVIEAOUIU-CQSZACIVSA-N 1 1 220.360 3.192 20 30 BGEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000397655021 350958426 /nfs/dbraw/zinc/95/84/26/350958426.db2.gz VBMWZCLWUDXAEU-GFCCVEGCSA-N 1 1 234.368 3.182 20 30 BGEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000397655022 350958241 /nfs/dbraw/zinc/95/82/41/350958241.db2.gz VBMWZCLWUDXAEU-LBPRGKRZSA-N 1 1 234.368 3.182 20 30 BGEDMO CCC(CC)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397656457 350958219 /nfs/dbraw/zinc/95/82/19/350958219.db2.gz DLGBSACCBXPWMH-CYBMUJFWSA-N 1 1 208.349 3.048 20 30 BGEDMO CCC(CC)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397656459 350958233 /nfs/dbraw/zinc/95/82/33/350958233.db2.gz DLGBSACCBXPWMH-ZDUSSCGKSA-N 1 1 208.349 3.048 20 30 BGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397660243 352617163 /nfs/dbraw/zinc/61/71/63/352617163.db2.gz NRVRBHHFQMAPFM-AWEZNQCLSA-N 1 1 247.386 3.332 20 30 BGEDMO Cc1cc(F)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397683775 350960409 /nfs/dbraw/zinc/96/04/09/350960409.db2.gz UTGMSBKQSUGEMB-CYBMUJFWSA-N 1 1 246.329 3.260 20 30 BGEDMO Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397683777 350960613 /nfs/dbraw/zinc/96/06/13/350960613.db2.gz UTGMSBKQSUGEMB-ZDUSSCGKSA-N 1 1 246.329 3.260 20 30 BGEDMO CC(C)(C)CC[N@H+]1CCC[C@H](CC#N)C1 ZINC000397692509 350961328 /nfs/dbraw/zinc/96/13/28/350961328.db2.gz NHTMZQKMEZPOGT-GFCCVEGCSA-N 1 1 208.349 3.048 20 30 BGEDMO CC(C)(C)CC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397692511 350961410 /nfs/dbraw/zinc/96/14/10/350961410.db2.gz NHTMZQKMEZPOGT-LBPRGKRZSA-N 1 1 208.349 3.048 20 30 BGEDMO CC(C)CCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000397693259 350961121 /nfs/dbraw/zinc/96/11/21/350961121.db2.gz NOVCFCHZQKODID-CYBMUJFWSA-N 1 1 208.349 3.048 20 30 BGEDMO CC(C)CCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397693261 350961320 /nfs/dbraw/zinc/96/13/20/350961320.db2.gz NOVCFCHZQKODID-ZDUSSCGKSA-N 1 1 208.349 3.048 20 30 BGEDMO CCC[C@@H](C)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397702272 350962208 /nfs/dbraw/zinc/96/22/08/350962208.db2.gz QDHVGBGLNCDQJH-CHWSQXEVSA-N 1 1 208.349 3.048 20 30 BGEDMO CCC[C@@H](C)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397702273 350962031 /nfs/dbraw/zinc/96/20/31/350962031.db2.gz QDHVGBGLNCDQJH-OLZOCXBDSA-N 1 1 208.349 3.048 20 30 BGEDMO CCC[C@H](C)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397702274 350961827 /nfs/dbraw/zinc/96/18/27/350961827.db2.gz QDHVGBGLNCDQJH-QWHCGFSZSA-N 1 1 208.349 3.048 20 30 BGEDMO CCC[C@H](C)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397702275 350961920 /nfs/dbraw/zinc/96/19/20/350961920.db2.gz QDHVGBGLNCDQJH-STQMWFEESA-N 1 1 208.349 3.048 20 30 BGEDMO CCCCCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000397724375 711707102 /nfs/dbraw/zinc/70/71/02/711707102.db2.gz WWWIBIBAEHGLNT-CYBMUJFWSA-N 1 1 208.349 3.192 20 30 BGEDMO CCCCCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397724377 711390314 /nfs/dbraw/zinc/39/03/14/711390314.db2.gz WWWIBIBAEHGLNT-ZDUSSCGKSA-N 1 1 208.349 3.192 20 30 BGEDMO CCc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)s1 ZINC000397726742 350965921 /nfs/dbraw/zinc/96/59/21/350965921.db2.gz VECOMUPPIBSJGJ-GFCCVEGCSA-N 1 1 248.395 3.436 20 30 BGEDMO CCc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000397726744 350965950 /nfs/dbraw/zinc/96/59/50/350965950.db2.gz VECOMUPPIBSJGJ-LBPRGKRZSA-N 1 1 248.395 3.436 20 30 BGEDMO CC(C)C[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000397731668 350968627 /nfs/dbraw/zinc/96/86/27/350968627.db2.gz YMGGGLKHIGAYGO-CHWSQXEVSA-N 1 1 208.349 3.047 20 30 BGEDMO CC(C)C[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397731671 350968547 /nfs/dbraw/zinc/96/85/47/350968547.db2.gz YMGGGLKHIGAYGO-OLZOCXBDSA-N 1 1 208.349 3.047 20 30 BGEDMO CC(C)C[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000397731673 350968529 /nfs/dbraw/zinc/96/85/29/350968529.db2.gz YMGGGLKHIGAYGO-QWHCGFSZSA-N 1 1 208.349 3.047 20 30 BGEDMO CC(C)C[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397731675 350968687 /nfs/dbraw/zinc/96/86/87/350968687.db2.gz YMGGGLKHIGAYGO-STQMWFEESA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000397762994 350963952 /nfs/dbraw/zinc/96/39/52/350963952.db2.gz FMSIURWXWWDLLX-ILXRZTDVSA-N 1 1 234.387 3.438 20 30 BGEDMO C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000397762995 350964100 /nfs/dbraw/zinc/96/41/00/350964100.db2.gz FMSIURWXWWDLLX-KFWWJZLASA-N 1 1 234.387 3.438 20 30 BGEDMO C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000397763647 350964109 /nfs/dbraw/zinc/96/41/09/350964109.db2.gz FMSIURWXWWDLLX-QLFBSQMISA-N 1 1 234.387 3.438 20 30 BGEDMO C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000397763649 350964154 /nfs/dbraw/zinc/96/41/54/350964154.db2.gz FMSIURWXWWDLLX-RBSFLKMASA-N 1 1 234.387 3.438 20 30 BGEDMO CC1CCC(C[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000397775850 350975667 /nfs/dbraw/zinc/97/56/67/350975667.db2.gz IGKAXPVVKMXGFU-SHARSMKWSA-N 1 1 234.387 3.438 20 30 BGEDMO CC1CCC(C[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000397775852 350975629 /nfs/dbraw/zinc/97/56/29/350975629.db2.gz IGKAXPVVKMXGFU-SLTAFYQDSA-N 1 1 234.387 3.438 20 30 BGEDMO C=CCCC[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000398138146 711403165 /nfs/dbraw/zinc/40/31/65/711403165.db2.gz YKYZAZDSTCRBOY-NEPJUHHUSA-N 1 1 241.375 3.051 20 30 BGEDMO C=CCCC[C@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000398138148 711403133 /nfs/dbraw/zinc/40/31/33/711403133.db2.gz YKYZAZDSTCRBOY-NWDGAFQWSA-N 1 1 241.375 3.051 20 30 BGEDMO C=CCCC[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000398138149 711403196 /nfs/dbraw/zinc/40/31/96/711403196.db2.gz YKYZAZDSTCRBOY-RYUDHWBXSA-N 1 1 241.375 3.051 20 30 BGEDMO C=CCCC[C@@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000398138151 711403604 /nfs/dbraw/zinc/40/36/04/711403604.db2.gz YKYZAZDSTCRBOY-VXGBXAGGSA-N 1 1 241.375 3.051 20 30 BGEDMO C=CCCC[C@H](C)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000398169258 384822457 /nfs/dbraw/zinc/82/24/57/384822457.db2.gz KRIVPGKUBHFHNI-APHBMKBZSA-N 1 1 244.382 3.466 20 30 BGEDMO C=CCCC[C@H](C)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000398169260 384822386 /nfs/dbraw/zinc/82/23/86/384822386.db2.gz KRIVPGKUBHFHNI-MAZHCROVSA-N 1 1 244.382 3.466 20 30 BGEDMO C=CCCC[C@H](C)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000398169263 384823486 /nfs/dbraw/zinc/82/34/86/384823486.db2.gz KRIVPGKUBHFHNI-RCBQFDQVSA-N 1 1 244.382 3.466 20 30 BGEDMO C=CCCC[C@H](C)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000398169265 384822017 /nfs/dbraw/zinc/82/20/17/384822017.db2.gz KRIVPGKUBHFHNI-VBNZEHGJSA-N 1 1 244.382 3.466 20 30 BGEDMO CC(C)C[N@@H+](CCC#N)CCC1CCC1 ZINC000398778638 711416489 /nfs/dbraw/zinc/41/64/89/711416489.db2.gz OCKJBXBFZJDPRL-UHFFFAOYSA-N 1 1 208.349 3.048 20 30 BGEDMO CCCCCCC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398876321 711416053 /nfs/dbraw/zinc/41/60/53/711416053.db2.gz FNSBTDVRLDIXEK-ZNMIVQPWSA-N 1 1 239.403 3.050 20 30 BGEDMO CC(C)CC[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000398957139 353376076 /nfs/dbraw/zinc/37/60/76/353376076.db2.gz JAIYOQUXVGZOQD-UHFFFAOYSA-N 1 1 230.355 3.231 20 30 BGEDMO CCC[N@@H+](Cc1ccc(CC#N)cc1)C(C)C ZINC000398973898 262773282 /nfs/dbraw/zinc/77/32/82/262773282.db2.gz XVHDVHSTNHIGBV-UHFFFAOYSA-N 1 1 230.355 3.373 20 30 BGEDMO CC[C@@H](C)[N@@H+](CC)Cc1ccc(CC#N)cc1 ZINC000398977193 353398542 /nfs/dbraw/zinc/39/85/42/353398542.db2.gz ZHYWSFNTMYMRQX-CYBMUJFWSA-N 1 1 230.355 3.373 20 30 BGEDMO CC[C@H](C)[N@@H+](CC)Cc1ccc(CC#N)cc1 ZINC000398977194 353398630 /nfs/dbraw/zinc/39/86/30/353398630.db2.gz ZHYWSFNTMYMRQX-ZDUSSCGKSA-N 1 1 230.355 3.373 20 30 BGEDMO CC(C)[N@H+](Cc1ccc(CC#N)cc1)CC1CC1 ZINC000398979549 357892441 /nfs/dbraw/zinc/89/24/41/357892441.db2.gz DJULCQWUKFANLF-UHFFFAOYSA-N 1 1 242.366 3.373 20 30 BGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000398984037 387033970 /nfs/dbraw/zinc/03/39/70/387033970.db2.gz GKJVAKNVIOOJID-ZIAGYGMSSA-N 1 1 242.366 3.373 20 30 BGEDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000399003082 357892396 /nfs/dbraw/zinc/89/23/96/357892396.db2.gz UYXOTMGFDVKDEV-INIZCTEOSA-N 1 1 242.366 3.231 20 30 BGEDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000399003088 357893598 /nfs/dbraw/zinc/89/35/98/357893598.db2.gz UYXOTMGFDVKDEV-MRXNPFEDSA-N 1 1 242.366 3.231 20 30 BGEDMO C[N@@H+](Cc1ccc(CC#N)cc1)C1CC(C)(C)C1 ZINC000399266853 386472699 /nfs/dbraw/zinc/47/26/99/386472699.db2.gz SERUUAFBVSENIV-UHFFFAOYSA-N 1 1 242.366 3.373 20 30 BGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(F)ccc1C#N ZINC000399565273 387013050 /nfs/dbraw/zinc/01/30/50/387013050.db2.gz MXXUPBHGWAXHKV-ABAIWWIYSA-N 1 1 246.329 3.318 20 30 BGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(F)ccc1C#N 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CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000399566374 262840862 /nfs/dbraw/zinc/84/08/62/262840862.db2.gz NDMQEUWWEKYJDD-SMDDNHRTSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)[C@@H](C)[C@H]1C ZINC000399618422 387042081 /nfs/dbraw/zinc/04/20/81/387042081.db2.gz DWROYVUDQJANLQ-AGIUHOORSA-N 1 1 228.339 3.035 20 30 BGEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccccc1C#N ZINC000399618426 387041193 /nfs/dbraw/zinc/04/11/93/387041193.db2.gz DWROYVUDQJANLQ-FRRDWIJNSA-N 1 1 228.339 3.035 20 30 BGEDMO C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC000399618429 387042217 /nfs/dbraw/zinc/04/22/17/387042217.db2.gz DWROYVUDQJANLQ-JHJVBQTASA-N 1 1 228.339 3.035 20 30 BGEDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC000399618432 387040109 /nfs/dbraw/zinc/04/01/09/387040109.db2.gz DWROYVUDQJANLQ-UPJWGTAASA-N 1 1 228.339 3.035 20 30 BGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)[C@H]1C ZINC000399657888 387077735 /nfs/dbraw/zinc/07/77/35/387077735.db2.gz 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CC(C)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000409445201 191013868 /nfs/dbraw/zinc/01/38/68/191013868.db2.gz XFTLZFQLVNNDFU-CVEARBPZSA-N 1 1 242.366 3.414 20 30 BGEDMO CC(C)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000409445202 191013839 /nfs/dbraw/zinc/01/38/39/191013839.db2.gz XFTLZFQLVNNDFU-HZPDHXFCSA-N 1 1 242.366 3.414 20 30 BGEDMO C=C(C)C[N@@H+](CC)CCCCC1CCOCC1 ZINC000410313652 384137976 /nfs/dbraw/zinc/13/79/76/384137976.db2.gz UITRBYOPNFTSDH-UHFFFAOYSA-N 1 1 239.403 3.481 20 30 BGEDMO C=CCCC[N@@H+](C)CCCCC1CCOCC1 ZINC000410382490 191029479 /nfs/dbraw/zinc/02/94/79/191029479.db2.gz ZZPVZOUCTDYBJW-UHFFFAOYSA-N 1 1 239.403 3.481 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)CCOC ZINC000411130030 487692240 /nfs/dbraw/zinc/69/22/40/487692240.db2.gz HLGPGKMXEKQMGL-AWEZNQCLSA-N 1 1 233.355 3.100 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)CCOC ZINC000411130031 487692166 /nfs/dbraw/zinc/69/21/66/487692166.db2.gz HLGPGKMXEKQMGL-CQSZACIVSA-N 1 1 233.355 3.100 20 30 BGEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)CCC#N ZINC000411140816 191163524 /nfs/dbraw/zinc/16/35/24/191163524.db2.gz UPDDHURGAJTQIT-GFCCVEGCSA-N 1 1 234.368 3.428 20 30 BGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)CCC#N ZINC000411140817 191163841 /nfs/dbraw/zinc/16/38/41/191163841.db2.gz UPDDHURGAJTQIT-LBPRGKRZSA-N 1 1 234.368 3.428 20 30 BGEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)CCOC ZINC000411141854 488074781 /nfs/dbraw/zinc/07/47/81/488074781.db2.gz VPJDSLQJLSJCMZ-GFCCVEGCSA-N 1 1 239.384 3.161 20 30 BGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)CCOC ZINC000411141855 488074811 /nfs/dbraw/zinc/07/48/11/488074811.db2.gz VPJDSLQJLSJCMZ-LBPRGKRZSA-N 1 1 239.384 3.161 20 30 BGEDMO CCc1ccc(C[N@@H+](C)[C@H](C)CCC#N)cc1 ZINC000411146743 191164390 /nfs/dbraw/zinc/16/43/90/191164390.db2.gz HBOKTCNLCJOARO-CYBMUJFWSA-N 1 1 230.355 3.373 20 30 BGEDMO CCc1ccc(C[N@@H+](C)[C@@H](C)CCC#N)cc1 ZINC000411146756 191165183 /nfs/dbraw/zinc/16/51/83/191165183.db2.gz HBOKTCNLCJOARO-ZDUSSCGKSA-N 1 1 230.355 3.373 20 30 BGEDMO CC[N@@H+](Cc1cccc(F)c1)[C@H](C)CCC#N ZINC000411151737 191164366 /nfs/dbraw/zinc/16/43/66/191164366.db2.gz DNFQWPYTNHKQDF-GFCCVEGCSA-N 1 1 234.318 3.340 20 30 BGEDMO CC[N@@H+](Cc1cccc(F)c1)[C@@H](C)CCC#N ZINC000411151742 191164638 /nfs/dbraw/zinc/16/46/38/191164638.db2.gz DNFQWPYTNHKQDF-LBPRGKRZSA-N 1 1 234.318 3.340 20 30 BGEDMO C=C(C)C[N@H+](CC)[C@@H]1C[C@@H]1c1ccccc1 ZINC000411156724 191164843 /nfs/dbraw/zinc/16/48/43/191164843.db2.gz POLNILPTCLDVGR-HUUCEWRRSA-N 1 1 215.340 3.441 20 30 BGEDMO CCC(CC)C[N@@H+](CC)[C@H](C)CCC#N ZINC000411166380 191165787 /nfs/dbraw/zinc/16/57/87/191165787.db2.gz SFJWUWGESPHECG-GFCCVEGCSA-N 1 1 210.365 3.437 20 30 BGEDMO CCC(CC)C[N@@H+](CC)[C@@H](C)CCC#N ZINC000411166381 191166397 /nfs/dbraw/zinc/16/63/97/191166397.db2.gz SFJWUWGESPHECG-LBPRGKRZSA-N 1 1 210.365 3.437 20 30 BGEDMO CC[N@@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411169689 191166234 /nfs/dbraw/zinc/16/62/34/191166234.db2.gz SATODICFWGKSRJ-UHFFFAOYSA-N 1 1 220.360 3.335 20 30 BGEDMO C[N@@H+](CCC1(C#N)CCCCC1)CC1CC1 ZINC000411169718 191165944 /nfs/dbraw/zinc/16/59/44/191165944.db2.gz DWHYZHPQHBIPGQ-UHFFFAOYSA-N 1 1 220.360 3.192 20 30 BGEDMO CCOc1ccccc1C[N@@H+](C)[C@H](C)CCC#N ZINC000411176942 191168223 /nfs/dbraw/zinc/16/82/23/191168223.db2.gz GPCUDZKNADIPAU-CYBMUJFWSA-N 1 1 246.354 3.209 20 30 BGEDMO CCOc1ccccc1C[N@@H+](C)[C@@H](C)CCC#N ZINC000411176944 191167126 /nfs/dbraw/zinc/16/71/26/191167126.db2.gz GPCUDZKNADIPAU-ZDUSSCGKSA-N 1 1 246.354 3.209 20 30 BGEDMO CC(C)C[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411191421 191167851 /nfs/dbraw/zinc/16/78/51/191167851.db2.gz JMBRZCWTTXZZOW-UHFFFAOYSA-N 1 1 222.376 3.438 20 30 BGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)CCOC ZINC000411194232 487694955 /nfs/dbraw/zinc/69/49/55/487694955.db2.gz GNUBJCMPDNIKDD-HNNXBMFYSA-N 1 1 247.382 3.142 20 30 BGEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)CCOC ZINC000411194236 487694914 /nfs/dbraw/zinc/69/49/14/487694914.db2.gz GNUBJCMPDNIKDD-OAHLLOKOSA-N 1 1 247.382 3.142 20 30 BGEDMO CCC[N@@H+](CC(C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC000411204165 191171283 /nfs/dbraw/zinc/17/12/83/191171283.db2.gz UQBGYFJICMWKGG-CHWSQXEVSA-N 1 1 208.349 3.047 20 30 BGEDMO CCC[N@@H+](CC(C)C)[C@H]1CC[C@@H](C#N)C1 ZINC000411204166 191171658 /nfs/dbraw/zinc/17/16/58/191171658.db2.gz UQBGYFJICMWKGG-OLZOCXBDSA-N 1 1 208.349 3.047 20 30 BGEDMO CCC[N@@H+](CC(C)C)[C@@H]1CC[C@H](C#N)C1 ZINC000411204167 191171335 /nfs/dbraw/zinc/17/13/35/191171335.db2.gz UQBGYFJICMWKGG-QWHCGFSZSA-N 1 1 208.349 3.047 20 30 BGEDMO CCC[N@@H+](CC(C)C)[C@H]1CC[C@H](C#N)C1 ZINC000411204168 191170447 /nfs/dbraw/zinc/17/04/47/191170447.db2.gz UQBGYFJICMWKGG-STQMWFEESA-N 1 1 208.349 3.047 20 30 BGEDMO CC[N@@H+](CCC1(C#N)CCCCC1)C[C@@H](C)C#N ZINC000411205670 191171329 /nfs/dbraw/zinc/17/13/29/191171329.db2.gz ATMKPONWPFFUBE-AWEZNQCLSA-N 1 1 247.386 3.332 20 30 BGEDMO CC[N@H+](CCC1(C#N)CCCCC1)C[C@@H](C)C#N ZINC000411205670 191171327 /nfs/dbraw/zinc/17/13/27/191171327.db2.gz ATMKPONWPFFUBE-AWEZNQCLSA-N 1 1 247.386 3.332 20 30 BGEDMO CC[N@@H+](CCC1(C#N)CCCCC1)C[C@H](C)C#N ZINC000411205671 191170665 /nfs/dbraw/zinc/17/06/65/191170665.db2.gz ATMKPONWPFFUBE-CQSZACIVSA-N 1 1 247.386 3.332 20 30 BGEDMO CC[N@H+](CCC1(C#N)CCCCC1)C[C@H](C)C#N ZINC000411205671 191170663 /nfs/dbraw/zinc/17/06/63/191170663.db2.gz ATMKPONWPFFUBE-CQSZACIVSA-N 1 1 247.386 3.332 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000411207187 191170015 /nfs/dbraw/zinc/17/00/15/191170015.db2.gz GPFRSVWXELVXAB-NEPJUHHUSA-N 1 1 249.383 3.015 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000411207190 191169743 /nfs/dbraw/zinc/16/97/43/191169743.db2.gz GPFRSVWXELVXAB-NWDGAFQWSA-N 1 1 249.383 3.015 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000411207192 191169383 /nfs/dbraw/zinc/16/93/83/191169383.db2.gz GPFRSVWXELVXAB-RYUDHWBXSA-N 1 1 249.383 3.015 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000411207194 191169344 /nfs/dbraw/zinc/16/93/44/191169344.db2.gz GPFRSVWXELVXAB-VXGBXAGGSA-N 1 1 249.383 3.015 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1C[C@@H]1c1ccccc1 ZINC000411208641 191168674 /nfs/dbraw/zinc/16/86/74/191168674.db2.gz LYPKEDMJRHHYQU-NWANDNLSSA-N 1 1 228.339 3.024 20 30 BGEDMO CC[N@H+](C[C@@H](C)C#N)[C@@H]1C[C@@H]1c1ccccc1 ZINC000411208641 191168671 /nfs/dbraw/zinc/16/86/71/191168671.db2.gz LYPKEDMJRHHYQU-NWANDNLSSA-N 1 1 228.339 3.024 20 30 BGEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411211580 191169911 /nfs/dbraw/zinc/16/99/11/191169911.db2.gz SMLSRDYEFLWTJM-BYCMXARLSA-N 1 1 246.329 3.163 20 30 BGEDMO CC[N@H+](C[C@H](C)C#N)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411211580 191169909 /nfs/dbraw/zinc/16/99/09/191169909.db2.gz SMLSRDYEFLWTJM-BYCMXARLSA-N 1 1 246.329 3.163 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411211581 191169832 /nfs/dbraw/zinc/16/98/32/191169832.db2.gz SMLSRDYEFLWTJM-CQDKDKBSSA-N 1 1 246.329 3.163 20 30 BGEDMO CC[N@H+](C[C@@H](C)C#N)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411211581 191169829 /nfs/dbraw/zinc/16/98/29/191169829.db2.gz SMLSRDYEFLWTJM-CQDKDKBSSA-N 1 1 246.329 3.163 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411211582 191169872 /nfs/dbraw/zinc/16/98/72/191169872.db2.gz SMLSRDYEFLWTJM-TUKIKUTGSA-N 1 1 246.329 3.163 20 30 BGEDMO CC[N@H+](C[C@@H](C)C#N)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411211582 191169870 /nfs/dbraw/zinc/16/98/70/191169870.db2.gz SMLSRDYEFLWTJM-TUKIKUTGSA-N 1 1 246.329 3.163 20 30 BGEDMO CC[N@@H+](C[C@H](C)C#N)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411211583 191169135 /nfs/dbraw/zinc/16/91/35/191169135.db2.gz SMLSRDYEFLWTJM-UGFHNGPFSA-N 1 1 246.329 3.163 20 30 BGEDMO CC[N@H+](C[C@H](C)C#N)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411211583 191169133 /nfs/dbraw/zinc/16/91/33/191169133.db2.gz SMLSRDYEFLWTJM-UGFHNGPFSA-N 1 1 246.329 3.163 20 30 BGEDMO CC[N@@H+](CCc1cccs1)[C@H](C)CCC#N ZINC000411212863 191169362 /nfs/dbraw/zinc/16/93/62/191169362.db2.gz QUWNKEKTQPTNCO-GFCCVEGCSA-N 1 1 236.384 3.305 20 30 BGEDMO CC[N@@H+](CCc1cccs1)[C@@H](C)CCC#N ZINC000411212867 191168580 /nfs/dbraw/zinc/16/85/80/191168580.db2.gz QUWNKEKTQPTNCO-LBPRGKRZSA-N 1 1 236.384 3.305 20 30 BGEDMO CCC[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411216479 191172350 /nfs/dbraw/zinc/17/23/50/191172350.db2.gz WRBHFVXKPASGII-UHFFFAOYSA-N 1 1 208.349 3.192 20 30 BGEDMO C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411217714 191172045 /nfs/dbraw/zinc/17/20/45/191172045.db2.gz XEFVIKFYCJZAJJ-CYBMUJFWSA-N 1 1 220.360 3.192 20 30 BGEDMO C[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411217717 191171805 /nfs/dbraw/zinc/17/18/05/191171805.db2.gz XEFVIKFYCJZAJJ-ZDUSSCGKSA-N 1 1 220.360 3.192 20 30 BGEDMO Cc1ccccc1[C@H]1CC[N@H+]([C@H](C)CCC#N)C1 ZINC000411225501 191170247 /nfs/dbraw/zinc/17/02/47/191170247.db2.gz KNWDJYROHIURGV-CABCVRRESA-N 1 1 242.366 3.477 20 30 BGEDMO Cc1ccccc1[C@H]1CC[N@H+]([C@@H](C)CCC#N)C1 ZINC000411225502 191170992 /nfs/dbraw/zinc/17/09/92/191170992.db2.gz KNWDJYROHIURGV-GJZGRUSLSA-N 1 1 242.366 3.477 20 30 BGEDMO Cc1ccccc1[C@@H]1CC[N@H+]([C@H](C)CCC#N)C1 ZINC000411225503 191170356 /nfs/dbraw/zinc/17/03/56/191170356.db2.gz KNWDJYROHIURGV-HUUCEWRRSA-N 1 1 242.366 3.477 20 30 BGEDMO Cc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)CCC#N)C1 ZINC000411225504 191171305 /nfs/dbraw/zinc/17/13/05/191171305.db2.gz KNWDJYROHIURGV-LSDHHAIUSA-N 1 1 242.366 3.477 20 30 BGEDMO CC[C@@H]1CCC[N@H+]([C@H](C)CCC#N)CC1 ZINC000411280460 191174305 /nfs/dbraw/zinc/17/43/05/191174305.db2.gz UGQIXDMSJMYDSK-CHWSQXEVSA-N 1 1 208.349 3.191 20 30 BGEDMO CC[C@H]1CCC[N@H+]([C@H](C)CCC#N)CC1 ZINC000411280461 191174196 /nfs/dbraw/zinc/17/41/96/191174196.db2.gz UGQIXDMSJMYDSK-OLZOCXBDSA-N 1 1 208.349 3.191 20 30 BGEDMO CC[C@@H]1CCC[N@H+]([C@@H](C)CCC#N)CC1 ZINC000411280462 191173538 /nfs/dbraw/zinc/17/35/38/191173538.db2.gz UGQIXDMSJMYDSK-QWHCGFSZSA-N 1 1 208.349 3.191 20 30 BGEDMO CC[C@H]1CCC[N@H+]([C@@H](C)CCC#N)CC1 ZINC000411280463 191174467 /nfs/dbraw/zinc/17/44/67/191174467.db2.gz UGQIXDMSJMYDSK-STQMWFEESA-N 1 1 208.349 3.191 20 30 BGEDMO C=CCCCCC[N@H+](C)CCc1cncs1 ZINC000411284351 191174274 /nfs/dbraw/zinc/17/42/74/191174274.db2.gz OCIHMYNAQDVDAL-UHFFFAOYSA-N 1 1 238.400 3.364 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@H](C)CCC#N ZINC000411284890 191174772 /nfs/dbraw/zinc/17/47/72/191174772.db2.gz PPFQBRPSAPDCPM-CYBMUJFWSA-N 1 1 208.349 3.357 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@@H](C)CCC#N ZINC000411284891 191173612 /nfs/dbraw/zinc/17/36/12/191173612.db2.gz PPFQBRPSAPDCPM-ZDUSSCGKSA-N 1 1 208.349 3.357 20 30 BGEDMO CC(C)[C@H]1CCC[N@H+]([C@@H](C)CCC#N)CC1 ZINC000411285930 191175593 /nfs/dbraw/zinc/17/55/93/191175593.db2.gz VXVPYIIEKBYACG-KBPBESRZSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)[C@H]1CCC[N@H+]([C@H](C)CCC#N)CC1 ZINC000411285931 191176153 /nfs/dbraw/zinc/17/61/53/191176153.db2.gz VXVPYIIEKBYACG-KGLIPLIRSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]([C@@H](C)CCC#N)CC1 ZINC000411285932 191176405 /nfs/dbraw/zinc/17/64/05/191176405.db2.gz VXVPYIIEKBYACG-UONOGXRCSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]([C@H](C)CCC#N)CC1 ZINC000411285933 191175012 /nfs/dbraw/zinc/17/50/12/191175012.db2.gz VXVPYIIEKBYACG-ZIAGYGMSSA-N 1 1 222.376 3.437 20 30 BGEDMO CC[C@]1(C)CCC[N@H+]([C@H](C)CCC#N)C1 ZINC000411290710 191175764 /nfs/dbraw/zinc/17/57/64/191175764.db2.gz ARYPLMIBCMUCAW-CHWSQXEVSA-N 1 1 208.349 3.191 20 30 BGEDMO CC[C@@]1(C)CCC[N@H+]([C@H](C)CCC#N)C1 ZINC000411290713 191175023 /nfs/dbraw/zinc/17/50/23/191175023.db2.gz ARYPLMIBCMUCAW-OLZOCXBDSA-N 1 1 208.349 3.191 20 30 BGEDMO CC[C@]1(C)CCC[N@H+]([C@@H](C)CCC#N)C1 ZINC000411290716 191175006 /nfs/dbraw/zinc/17/50/06/191175006.db2.gz ARYPLMIBCMUCAW-QWHCGFSZSA-N 1 1 208.349 3.191 20 30 BGEDMO CC[C@@]1(C)CCC[N@H+]([C@@H](C)CCC#N)C1 ZINC000411290717 191176170 /nfs/dbraw/zinc/17/61/70/191176170.db2.gz ARYPLMIBCMUCAW-STQMWFEESA-N 1 1 208.349 3.191 20 30 BGEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411295971 191175773 /nfs/dbraw/zinc/17/57/73/191175773.db2.gz KEUYVCGSJUAREL-OKILXGFUSA-N 1 1 234.387 3.438 20 30 BGEDMO C[N@@H+](CCC1(C#N)CCCCC1)C1CCC1 ZINC000411297201 191176207 /nfs/dbraw/zinc/17/62/07/191176207.db2.gz RBMQWBPYUBRLCV-UHFFFAOYSA-N 1 1 220.360 3.335 20 30 BGEDMO C[C@@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411300874 191175278 /nfs/dbraw/zinc/17/52/78/191175278.db2.gz QYAJOCWBIFMZEE-CYBMUJFWSA-N 1 1 220.360 3.335 20 30 BGEDMO C[C@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411300875 191176000 /nfs/dbraw/zinc/17/60/00/191176000.db2.gz QYAJOCWBIFMZEE-ZDUSSCGKSA-N 1 1 220.360 3.335 20 30 BGEDMO N#CC1(CC[N@H+]2CCC23CCC3)CCCCC1 ZINC000411304127 191175823 /nfs/dbraw/zinc/17/58/23/191175823.db2.gz BKKOMMHZJWJEQW-UHFFFAOYSA-N 1 1 232.371 3.479 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000411307152 191177584 /nfs/dbraw/zinc/17/75/84/191177584.db2.gz MNPGIQZPXMWZJZ-NEPJUHHUSA-N 1 1 214.312 3.255 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1Cc2ccccc2[C@H]1C ZINC000411307154 191177289 /nfs/dbraw/zinc/17/72/89/191177289.db2.gz MNPGIQZPXMWZJZ-NWDGAFQWSA-N 1 1 214.312 3.255 20 30 BGEDMO 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BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000411336200 191179509 /nfs/dbraw/zinc/17/95/09/191179509.db2.gz QZQMNEBXNVFYRX-ZBFHGGJFSA-N 1 1 242.366 3.342 20 30 BGEDMO CSCC[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411350137 191179000 /nfs/dbraw/zinc/17/90/00/191179000.db2.gz RSUVYERKRZXBOL-UHFFFAOYSA-N 1 1 240.416 3.145 20 30 BGEDMO N#CCC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000411367858 191180543 /nfs/dbraw/zinc/18/05/43/191180543.db2.gz SLTBHQWTJYKCAG-UHFFFAOYSA-N 1 1 232.302 3.098 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000411399279 191181808 /nfs/dbraw/zinc/18/18/08/191181808.db2.gz QVFDZRCQXPFBFZ-AGIUHOORSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000411399280 191181055 /nfs/dbraw/zinc/18/10/55/191181055.db2.gz QVFDZRCQXPFBFZ-FRRDWIJNSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000411399282 191182106 /nfs/dbraw/zinc/18/21/06/191182106.db2.gz QVFDZRCQXPFBFZ-JHJVBQTASA-N 1 1 208.349 3.047 20 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20 30 BGEDMO C[C@]1(F)CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411414954 191182536 /nfs/dbraw/zinc/18/25/36/191182536.db2.gz AZPSRADIUOBGBI-ZDUSSCGKSA-N 1 1 238.350 3.284 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000411425908 191186187 /nfs/dbraw/zinc/18/61/87/191186187.db2.gz GSJYSPWXOBARQS-CHWSQXEVSA-N 1 1 220.360 3.191 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000411425912 191185869 /nfs/dbraw/zinc/18/58/69/191185869.db2.gz GSJYSPWXOBARQS-OLZOCXBDSA-N 1 1 220.360 3.191 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000411425914 191185938 /nfs/dbraw/zinc/18/59/38/191185938.db2.gz GSJYSPWXOBARQS-QWHCGFSZSA-N 1 1 220.360 3.191 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000411425917 191185556 /nfs/dbraw/zinc/18/55/56/191185556.db2.gz GSJYSPWXOBARQS-STQMWFEESA-N 1 1 220.360 3.191 20 30 BGEDMO C[C@H](CCC#N)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000411426124 191184298 /nfs/dbraw/zinc/18/42/98/191184298.db2.gz YNKDNNPEITZVEU-GFCCVEGCSA-N 1 1 220.360 3.357 20 30 BGEDMO C[C@@H](CCC#N)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000411426127 191184606 /nfs/dbraw/zinc/18/46/06/191184606.db2.gz YNKDNNPEITZVEU-LBPRGKRZSA-N 1 1 220.360 3.357 20 30 BGEDMO CCSc1ccc([C@@H](C)[NH2+]CCC#N)cc1 ZINC000411466813 191187057 /nfs/dbraw/zinc/18/70/57/191187057.db2.gz SZOBOLAGVHAYIC-LLVKDONJSA-N 1 1 234.368 3.363 20 30 BGEDMO CCSc1ccc([C@H](C)[NH2+]CCC#N)cc1 ZINC000411466814 191187534 /nfs/dbraw/zinc/18/75/34/191187534.db2.gz SZOBOLAGVHAYIC-NSHDSACASA-N 1 1 234.368 3.363 20 30 BGEDMO C=C(C)C[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411483511 398182762 /nfs/dbraw/zinc/18/27/62/398182762.db2.gz DXFYNPZURWHBHE-UHFFFAOYSA-N 1 1 220.360 3.358 20 30 BGEDMO C=C(C)C[N@H+](C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411487486 191188577 /nfs/dbraw/zinc/18/85/77/191188577.db2.gz MXTUXCSKXYWSJY-KBPBESRZSA-N 1 1 219.303 3.190 20 30 BGEDMO C=C(C)C[N@H+](C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411487487 191188540 /nfs/dbraw/zinc/18/85/40/191188540.db2.gz MXTUXCSKXYWSJY-UONOGXRCSA-N 1 1 219.303 3.190 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000411507722 191190042 /nfs/dbraw/zinc/19/00/42/191190042.db2.gz SKVFCBAKFNZTTR-NEPJUHHUSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000411507724 191190107 /nfs/dbraw/zinc/19/01/07/191190107.db2.gz SKVFCBAKFNZTTR-NWDGAFQWSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000411507725 191190497 /nfs/dbraw/zinc/19/04/97/191190497.db2.gz SKVFCBAKFNZTTR-RYUDHWBXSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000411507727 191190410 /nfs/dbraw/zinc/19/04/10/191190410.db2.gz SKVFCBAKFNZTTR-VXGBXAGGSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000411515378 191191652 /nfs/dbraw/zinc/19/16/52/191191652.db2.gz VRVVPZDCAQKEMQ-NEPJUHHUSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000411515379 191191857 /nfs/dbraw/zinc/19/18/57/191191857.db2.gz 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HBAGUOCNZFDOGB-LBPRGKRZSA-N 1 1 247.342 3.189 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000411526037 191191160 /nfs/dbraw/zinc/19/11/60/191191160.db2.gz LRZUCFMAJIGGOC-NEPJUHHUSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000411526039 191191518 /nfs/dbraw/zinc/19/15/18/191191518.db2.gz LRZUCFMAJIGGOC-NWDGAFQWSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000411526040 191191751 /nfs/dbraw/zinc/19/17/51/191191751.db2.gz LRZUCFMAJIGGOC-RYUDHWBXSA-N 1 1 208.349 3.047 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000411526046 191191543 /nfs/dbraw/zinc/19/15/43/191191543.db2.gz LRZUCFMAJIGGOC-VXGBXAGGSA-N 1 1 208.349 3.047 20 30 BGEDMO CCC1(CC)C[N@H+]([C@H](C)CCC#N)CCS1 ZINC000411550969 191193862 /nfs/dbraw/zinc/19/38/62/191193862.db2.gz LDDXSDHDJPBEDA-GFCCVEGCSA-N 1 1 240.416 3.286 20 30 BGEDMO CCC1(CC)C[N@H+]([C@@H](C)CCC#N)CCS1 ZINC000411550973 191194549 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191202536 /nfs/dbraw/zinc/20/25/36/191202536.db2.gz VYMWWJSXXLZQBX-GFCCVEGCSA-N 1 1 214.312 3.003 20 30 BGEDMO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)CCC#N)C2 ZINC000411667116 191203588 /nfs/dbraw/zinc/20/35/88/191203588.db2.gz VYMWWJSXXLZQBX-LBPRGKRZSA-N 1 1 214.312 3.003 20 30 BGEDMO C[C@H]1C[C@@]1([NH2+]CCC#N)c1ccc(Cl)cc1 ZINC000411686101 191205323 /nfs/dbraw/zinc/20/53/23/191205323.db2.gz CERRKQRYPURKBZ-GWCFXTLKSA-N 1 1 234.730 3.078 20 30 BGEDMO C[C@H]1C[C@]1([NH2+]CCC#N)c1ccc(Cl)cc1 ZINC000411686102 191204364 /nfs/dbraw/zinc/20/43/64/191204364.db2.gz CERRKQRYPURKBZ-GXFFZTMASA-N 1 1 234.730 3.078 20 30 BGEDMO C[C@@H]1C[C@@]1([NH2+]CCC#N)c1ccc(Cl)cc1 ZINC000411686103 191204806 /nfs/dbraw/zinc/20/48/06/191204806.db2.gz CERRKQRYPURKBZ-MFKMUULPSA-N 1 1 234.730 3.078 20 30 BGEDMO C[C@@H]1C[C@]1([NH2+]CCC#N)c1ccc(Cl)cc1 ZINC000411686104 191204791 /nfs/dbraw/zinc/20/47/91/191204791.db2.gz CERRKQRYPURKBZ-ZWNOBZJWSA-N 1 1 234.730 3.078 20 30 BGEDMO Cc1cc(F)cc2c1C[N@@H+]([C@H](C)CCC#N)CC2 ZINC000411687764 191204732 /nfs/dbraw/zinc/20/47/32/191204732.db2.gz HAKMOUHPOCMOQJ-GFCCVEGCSA-N 1 1 246.329 3.185 20 30 BGEDMO Cc1cc(F)cc2c1C[N@@H+]([C@@H](C)CCC#N)CC2 ZINC000411687765 191205360 /nfs/dbraw/zinc/20/53/60/191205360.db2.gz HAKMOUHPOCMOQJ-LBPRGKRZSA-N 1 1 246.329 3.185 20 30 BGEDMO CC[C@H]1C[C@]1([NH2+]CCC#N)c1cccc(C)c1 ZINC000411688869 191203896 /nfs/dbraw/zinc/20/38/96/191203896.db2.gz IZXFMOFMGYHREZ-DZGCQCFKSA-N 1 1 228.339 3.124 20 30 BGEDMO CC[C@@H]1C[C@@]1([NH2+]CCC#N)c1cccc(C)c1 ZINC000411688871 191204139 /nfs/dbraw/zinc/20/41/39/191204139.db2.gz IZXFMOFMGYHREZ-HIFRSBDPSA-N 1 1 228.339 3.124 20 30 BGEDMO CC[C@@H]1C[C@]1([NH2+]CCC#N)c1cccc(C)c1 ZINC000411688873 191205053 /nfs/dbraw/zinc/20/50/53/191205053.db2.gz IZXFMOFMGYHREZ-UKRRQHHQSA-N 1 1 228.339 3.124 20 30 BGEDMO CC[C@H]1C[C@@]1([NH2+]CCC#N)c1cccc(C)c1 ZINC000411688874 191205355 /nfs/dbraw/zinc/20/53/55/191205355.db2.gz IZXFMOFMGYHREZ-ZFWWWQNUSA-N 1 1 228.339 3.124 20 30 BGEDMO CC1=C(c2ccco2)C[N@@H+]([C@H](C)CCC#N)CC1 ZINC000411701165 191204441 /nfs/dbraw/zinc/20/44/41/191204441.db2.gz XHYRIHDHKHIKEX-CYBMUJFWSA-N 1 1 244.338 3.451 20 30 BGEDMO CC1=C(c2ccco2)C[N@@H+]([C@@H](C)CCC#N)CC1 ZINC000411701169 191204471 /nfs/dbraw/zinc/20/44/71/191204471.db2.gz XHYRIHDHKHIKEX-ZDUSSCGKSA-N 1 1 244.338 3.451 20 30 BGEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@@H]1C ZINC000411766691 191208752 /nfs/dbraw/zinc/20/87/52/191208752.db2.gz KROXXHTXVIUKJV-CHWSQXEVSA-N 1 1 220.360 3.191 20 30 BGEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@H]1C ZINC000411766692 191208851 /nfs/dbraw/zinc/20/88/51/191208851.db2.gz KROXXHTXVIUKJV-OLZOCXBDSA-N 1 1 220.360 3.191 20 30 BGEDMO C[C@@H]1[C@@H](C)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411766693 191208601 /nfs/dbraw/zinc/20/86/01/191208601.db2.gz KROXXHTXVIUKJV-QWHCGFSZSA-N 1 1 220.360 3.191 20 30 BGEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@H]1C ZINC000411766695 191209163 /nfs/dbraw/zinc/20/91/63/191209163.db2.gz KROXXHTXVIUKJV-STQMWFEESA-N 1 1 220.360 3.191 20 30 BGEDMO C[N@@H+](CC(C)(C)C#N)[C@@H]1C[C@@H]1c1ccccc1 ZINC000411774862 191210739 /nfs/dbraw/zinc/21/07/39/191210739.db2.gz BJWRJEJUVISIQM-ZIAGYGMSSA-N 1 1 228.339 3.024 20 30 BGEDMO C[N@H+](CC(C)(C)C#N)[C@@H]1C[C@@H]1c1ccccc1 ZINC000411774862 191210737 /nfs/dbraw/zinc/21/07/37/191210737.db2.gz BJWRJEJUVISIQM-ZIAGYGMSSA-N 1 1 228.339 3.024 20 30 BGEDMO C[N@@H+](CC(C)(C)C#N)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411775698 191210279 /nfs/dbraw/zinc/21/02/79/191210279.db2.gz BWEREKUZWTWGST-KBPBESRZSA-N 1 1 246.329 3.163 20 30 BGEDMO C[N@H+](CC(C)(C)C#N)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411775698 191210277 /nfs/dbraw/zinc/21/02/77/191210277.db2.gz BWEREKUZWTWGST-KBPBESRZSA-N 1 1 246.329 3.163 20 30 BGEDMO C[N@@H+](CC(C)(C)C#N)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411775699 191210125 /nfs/dbraw/zinc/21/01/25/191210125.db2.gz BWEREKUZWTWGST-UONOGXRCSA-N 1 1 246.329 3.163 20 30 BGEDMO C[N@H+](CC(C)(C)C#N)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411775699 191210123 /nfs/dbraw/zinc/21/01/23/191210123.db2.gz BWEREKUZWTWGST-UONOGXRCSA-N 1 1 246.329 3.163 20 30 BGEDMO C[N@@H+](CCC1(C#N)CCCCC1)CC(C)(C)C#N ZINC000411779676 191210447 /nfs/dbraw/zinc/21/04/47/191210447.db2.gz HPUVAVZXLHQYTH-UHFFFAOYSA-N 1 1 247.386 3.332 20 30 BGEDMO C[N@H+](CCC1(C#N)CCCCC1)CC(C)(C)C#N ZINC000411779676 191210444 /nfs/dbraw/zinc/21/04/44/191210444.db2.gz HPUVAVZXLHQYTH-UHFFFAOYSA-N 1 1 247.386 3.332 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CCCc2ccccc2CC1 ZINC000411781862 191209681 /nfs/dbraw/zinc/20/96/81/191209681.db2.gz CWTARIDMZIXEJR-AWEZNQCLSA-N 1 1 242.366 3.170 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CCCc2ccccc2CC1 ZINC000411781863 191211619 /nfs/dbraw/zinc/21/16/19/191211619.db2.gz CWTARIDMZIXEJR-CQSZACIVSA-N 1 1 242.366 3.170 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000411785684 191212408 /nfs/dbraw/zinc/21/24/08/191212408.db2.gz BJUDOSHKQVOYLC-GXTWGEPZSA-N 1 1 244.338 3.499 20 30 BGEDMO C[C@@H](CCC#N)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000411785684 191212406 /nfs/dbraw/zinc/21/24/06/191212406.db2.gz BJUDOSHKQVOYLC-GXTWGEPZSA-N 1 1 244.338 3.499 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000411785685 191212357 /nfs/dbraw/zinc/21/23/57/191212357.db2.gz BJUDOSHKQVOYLC-JSGCOSHPSA-N 1 1 244.338 3.499 20 30 BGEDMO C[C@@H](CCC#N)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000411785685 191212355 /nfs/dbraw/zinc/21/23/55/191212355.db2.gz BJUDOSHKQVOYLC-JSGCOSHPSA-N 1 1 244.338 3.499 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000411785687 191212384 /nfs/dbraw/zinc/21/23/84/191212384.db2.gz BJUDOSHKQVOYLC-OCCSQVGLSA-N 1 1 244.338 3.499 20 30 BGEDMO C[C@H](CCC#N)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000411785687 191212382 /nfs/dbraw/zinc/21/23/82/191212382.db2.gz BJUDOSHKQVOYLC-OCCSQVGLSA-N 1 1 244.338 3.499 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000411785690 191211173 /nfs/dbraw/zinc/21/11/73/191211173.db2.gz BJUDOSHKQVOYLC-TZMCWYRMSA-N 1 1 244.338 3.499 20 30 BGEDMO C[C@H](CCC#N)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000411785690 191211171 /nfs/dbraw/zinc/21/11/71/191211171.db2.gz BJUDOSHKQVOYLC-TZMCWYRMSA-N 1 1 244.338 3.499 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000411806809 191213198 /nfs/dbraw/zinc/21/31/98/191213198.db2.gz JNIYUQLGMFMTEW-AIEDFZFUSA-N 1 1 232.371 3.047 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000411806810 191212561 /nfs/dbraw/zinc/21/25/61/191212561.db2.gz JNIYUQLGMFMTEW-NIFZNCRKSA-N 1 1 232.371 3.047 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000411806811 191212770 /nfs/dbraw/zinc/21/27/70/191212770.db2.gz JNIYUQLGMFMTEW-UXXRCYHCSA-N 1 1 232.371 3.047 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000411806812 191212800 /nfs/dbraw/zinc/21/28/00/191212800.db2.gz JNIYUQLGMFMTEW-XPABHHOTSA-N 1 1 232.371 3.047 20 30 BGEDMO Cc1ccc(C[N@H+](C)[C@@H](C)CCC#N)cc1C ZINC000411810785 191215710 /nfs/dbraw/zinc/21/57/10/191215710.db2.gz RLCHBKSUFBSSCT-AWEZNQCLSA-N 1 1 230.355 3.428 20 30 BGEDMO Cc1ccc(C[N@H+](C)[C@H](C)CCC#N)cc1C ZINC000411810786 191216749 /nfs/dbraw/zinc/21/67/49/191216749.db2.gz RLCHBKSUFBSSCT-CQSZACIVSA-N 1 1 230.355 3.428 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CCc2cccc(Cl)c2C1 ZINC000411813603 191213112 /nfs/dbraw/zinc/21/31/12/191213112.db2.gz ATONRZFEECWFKV-LLVKDONJSA-N 1 1 248.757 3.390 20 30 BGEDMO C[C@H](CCC#N)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000411813603 191213110 /nfs/dbraw/zinc/21/31/10/191213110.db2.gz ATONRZFEECWFKV-LLVKDONJSA-N 1 1 248.757 3.390 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CCc2cccc(Cl)c2C1 ZINC000411813605 191212531 /nfs/dbraw/zinc/21/25/31/191212531.db2.gz ATONRZFEECWFKV-NSHDSACASA-N 1 1 248.757 3.390 20 30 BGEDMO C[C@@H](CCC#N)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000411813605 191212530 /nfs/dbraw/zinc/21/25/30/191212530.db2.gz ATONRZFEECWFKV-NSHDSACASA-N 1 1 248.757 3.390 20 30 BGEDMO C=C(CC)C[N@H+]1CCSC2(CCC2)CC1 ZINC000411861986 191223328 /nfs/dbraw/zinc/22/33/28/191223328.db2.gz AHVCPCVFESDGEO-UHFFFAOYSA-N 1 1 225.401 3.314 20 30 BGEDMO C=CCCC[N@H+]1CCSC2(CCC2)CC1 ZINC000411864319 191223371 /nfs/dbraw/zinc/22/33/71/191223371.db2.gz DMGUDHLHIWDGNQ-UHFFFAOYSA-N 1 1 225.401 3.314 20 30 BGEDMO N#CCCCC[N@H+]1CCSC2(CCC2)CC1 ZINC000411867977 191223834 /nfs/dbraw/zinc/22/38/34/191223834.db2.gz KASXURXFPHCCKC-UHFFFAOYSA-N 1 1 238.400 3.042 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CCSC2(CCC2)CC1 ZINC000411875112 191226162 /nfs/dbraw/zinc/22/61/62/191226162.db2.gz LDZVSUCUXDPORW-GFCCVEGCSA-N 1 1 238.400 3.040 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CCSC2(CCC2)CC1 ZINC000411875113 191225392 /nfs/dbraw/zinc/22/53/92/191225392.db2.gz LDZVSUCUXDPORW-LBPRGKRZSA-N 1 1 238.400 3.040 20 30 BGEDMO C=C(C)CC[N@H+]1CCSC2(CCC2)CC1 ZINC000411878308 191226759 /nfs/dbraw/zinc/22/67/59/191226759.db2.gz VOINPWCZCYDUFR-UHFFFAOYSA-N 1 1 225.401 3.314 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000411883397 191225752 /nfs/dbraw/zinc/22/57/52/191225752.db2.gz WDCCRLCZCOVDPZ-CHWSQXEVSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000411883399 191226290 /nfs/dbraw/zinc/22/62/90/191226290.db2.gz WDCCRLCZCOVDPZ-OLZOCXBDSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000411883400 191226678 /nfs/dbraw/zinc/22/66/78/191226678.db2.gz WDCCRLCZCOVDPZ-QWHCGFSZSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000411883402 191225428 /nfs/dbraw/zinc/22/54/28/191225428.db2.gz WDCCRLCZCOVDPZ-STQMWFEESA-N 1 1 222.376 3.437 20 30 BGEDMO C=C(C)CC[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000411937607 191230261 /nfs/dbraw/zinc/23/02/61/191230261.db2.gz GJUPSSJGQHHJAN-UHFFFAOYSA-N 1 1 229.323 3.171 20 30 BGEDMO C=C(C)CC[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000411937607 191230258 /nfs/dbraw/zinc/23/02/58/191230258.db2.gz GJUPSSJGQHHJAN-UHFFFAOYSA-N 1 1 229.323 3.171 20 30 BGEDMO C=CCCC[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000411947900 191231919 /nfs/dbraw/zinc/23/19/19/191231919.db2.gz QBEPIHFXQAVFLQ-UHFFFAOYSA-N 1 1 229.323 3.171 20 30 BGEDMO C=CCCC[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000411947900 191231918 /nfs/dbraw/zinc/23/19/18/191231918.db2.gz QBEPIHFXQAVFLQ-UHFFFAOYSA-N 1 1 229.323 3.171 20 30 BGEDMO C=C(C)C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411987008 191236969 /nfs/dbraw/zinc/23/69/69/191236969.db2.gz SDNOTUKFNFNDTB-HNNXBMFYSA-N 1 1 231.339 3.106 20 30 BGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000412018425 191236638 /nfs/dbraw/zinc/23/66/38/191236638.db2.gz BNXAFXKLUPUWEW-GFCCVEGCSA-N 1 1 228.339 3.179 20 30 BGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000412018426 191236461 /nfs/dbraw/zinc/23/64/61/191236461.db2.gz BNXAFXKLUPUWEW-LBPRGKRZSA-N 1 1 228.339 3.179 20 30 BGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000412021825 191238192 /nfs/dbraw/zinc/23/81/92/191238192.db2.gz NQXMPZVQDYRQLK-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000412021828 191238862 /nfs/dbraw/zinc/23/88/62/191238862.db2.gz NQXMPZVQDYRQLK-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO CC[N@@H+](Cc1occc1C)[C@H](C)CCC#N ZINC000412022813 191238112 /nfs/dbraw/zinc/23/81/12/191238112.db2.gz AIHUIEMYQPTFKI-GFCCVEGCSA-N 1 1 220.316 3.102 20 30 BGEDMO CC[N@@H+](Cc1occc1C)[C@@H](C)CCC#N ZINC000412022814 191238283 /nfs/dbraw/zinc/23/82/83/191238283.db2.gz AIHUIEMYQPTFKI-LBPRGKRZSA-N 1 1 220.316 3.102 20 30 BGEDMO CC[N@@H+](Cc1occc1C)[C@@H]1CC[C@@H](C#N)C1 ZINC000412023046 191238030 /nfs/dbraw/zinc/23/80/30/191238030.db2.gz AYBVEYLSFUDGCT-CHWSQXEVSA-N 1 1 232.327 3.102 20 30 BGEDMO CC[N@@H+](Cc1occc1C)[C@H]1CC[C@@H](C#N)C1 ZINC000412023047 191238789 /nfs/dbraw/zinc/23/87/89/191238789.db2.gz AYBVEYLSFUDGCT-OLZOCXBDSA-N 1 1 232.327 3.102 20 30 BGEDMO CC[N@@H+](Cc1occc1C)[C@@H]1CC[C@H](C#N)C1 ZINC000412023048 191238121 /nfs/dbraw/zinc/23/81/21/191238121.db2.gz AYBVEYLSFUDGCT-QWHCGFSZSA-N 1 1 232.327 3.102 20 30 BGEDMO CC[N@@H+](Cc1occc1C)[C@H]1CC[C@H](C#N)C1 ZINC000412023049 191237826 /nfs/dbraw/zinc/23/78/26/191237826.db2.gz AYBVEYLSFUDGCT-STQMWFEESA-N 1 1 232.327 3.102 20 30 BGEDMO C=C(C)CC[N@H+](CC)Cc1occc1C ZINC000412023531 191238488 /nfs/dbraw/zinc/23/84/88/191238488.db2.gz COTFMGXDERBLLH-UHFFFAOYSA-N 1 1 207.317 3.376 20 30 BGEDMO C=CCCC[N@H+](CC)Cc1occc1C ZINC000412024627 191239292 /nfs/dbraw/zinc/23/92/92/191239292.db2.gz GESZSKXLDNBXMQ-UHFFFAOYSA-N 1 1 207.317 3.376 20 30 BGEDMO CC[N@@H+](CCC(C)(C)C#N)Cc1occc1C ZINC000412025345 191239936 /nfs/dbraw/zinc/23/99/36/191239936.db2.gz IIOVTLQFZHFOLU-UHFFFAOYSA-N 1 1 234.343 3.350 20 30 BGEDMO C=C(CC)C[N@H+](CC)Cc1occc1C ZINC000412025522 191239331 /nfs/dbraw/zinc/23/93/31/191239331.db2.gz IZCRNBUOPZZMCS-UHFFFAOYSA-N 1 1 207.317 3.376 20 30 BGEDMO C=CCOCCC[N@H+](CC)Cc1occc1C ZINC000412025795 191239211 /nfs/dbraw/zinc/23/92/11/191239211.db2.gz JPFDPXICGXEDTH-UHFFFAOYSA-N 1 1 237.343 3.003 20 30 BGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000412025939 191239665 /nfs/dbraw/zinc/23/96/65/191239665.db2.gz RFPOKVIUYBCEFW-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000412025940 191239095 /nfs/dbraw/zinc/23/90/95/191239095.db2.gz RFPOKVIUYBCEFW-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cccc(C#N)c1 ZINC000412026236 191240399 /nfs/dbraw/zinc/24/03/99/191240399.db2.gz RVDQJOCHGDJMOQ-GFCCVEGCSA-N 1 1 228.339 3.179 20 30 BGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cccc(C#N)c1 ZINC000412026237 191239673 /nfs/dbraw/zinc/23/96/73/191239673.db2.gz RVDQJOCHGDJMOQ-LBPRGKRZSA-N 1 1 228.339 3.179 20 30 BGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccccc1C#N ZINC000412026415 191240495 /nfs/dbraw/zinc/24/04/95/191240495.db2.gz SFWOGOYPTPQFQE-GFCCVEGCSA-N 1 1 228.339 3.179 20 30 BGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccccc1C#N ZINC000412026417 191239166 /nfs/dbraw/zinc/23/91/66/191239166.db2.gz SFWOGOYPTPQFQE-LBPRGKRZSA-N 1 1 228.339 3.179 20 30 BGEDMO CC[N@@H+](CCCCC#N)Cc1occc1C ZINC000412027862 191239951 /nfs/dbraw/zinc/23/99/51/191239951.db2.gz QOMKRONWFIKUDX-UHFFFAOYSA-N 1 1 220.316 3.104 20 30 BGEDMO CC[N@@H+](CCC(C)(C)C#N)C1CC(C)(C)C1 ZINC000412029497 191241590 /nfs/dbraw/zinc/24/15/90/191241590.db2.gz CXWPLJYXQIVELK-UHFFFAOYSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H]1CC(C)(C)C[N@H+]1CCCC(C)(C)C#N ZINC000412032425 191241115 /nfs/dbraw/zinc/24/11/15/191241115.db2.gz BXULUGJUGQEJNU-GFCCVEGCSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@H]1CC(C)(C)C[N@H+]1CCCC(C)(C)C#N ZINC000412032426 191242254 /nfs/dbraw/zinc/24/22/54/191242254.db2.gz BXULUGJUGQEJNU-LBPRGKRZSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc(F)ccc1C#N ZINC000412033156 191242847 /nfs/dbraw/zinc/24/28/47/191242847.db2.gz CMGOEROWMCMGCG-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cc(F)ccc1C#N ZINC000412033158 191243245 /nfs/dbraw/zinc/24/32/45/191243245.db2.gz CMGOEROWMCMGCG-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)(C)C[C@H]1CC[N@@H+](CCC#N)C1(C)C ZINC000412033392 191242757 /nfs/dbraw/zinc/24/27/57/191242757.db2.gz CMQWDINFGLARDR-GFCCVEGCSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCC#N)C1(C)C ZINC000412033394 191242672 /nfs/dbraw/zinc/24/26/72/191242672.db2.gz CMQWDINFGLARDR-LBPRGKRZSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000412033881 191247818 /nfs/dbraw/zinc/24/78/18/191247818.db2.gz DSCKUQLHTHUDFA-CYBMUJFWSA-N 1 1 242.366 3.373 20 30 BGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000412034249 191247905 /nfs/dbraw/zinc/24/79/05/191247905.db2.gz DSCKUQLHTHUDFA-ZDUSSCGKSA-N 1 1 242.366 3.373 20 30 BGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000412034291 191248589 /nfs/dbraw/zinc/24/85/89/191248589.db2.gz DVBSCIZKCMIFNP-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000412034293 191247847 /nfs/dbraw/zinc/24/78/47/191247847.db2.gz DVBSCIZKCMIFNP-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO C=CCOCCC[N@H+](CC)C1CC(C)(C)C1 ZINC000412035567 191246792 /nfs/dbraw/zinc/24/67/92/191246792.db2.gz KYRAIKXBDWTXGN-UHFFFAOYSA-N 1 1 225.376 3.090 20 30 BGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cccc(F)c1C#N ZINC000412039384 191249114 /nfs/dbraw/zinc/24/91/14/191249114.db2.gz JNVPYGXDCOWOSS-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cccc(F)c1C#N ZINC000412039387 191249955 /nfs/dbraw/zinc/24/99/55/191249955.db2.gz JNVPYGXDCOWOSS-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO CC[N@@H+](CCCCC#N)C1CC(C)(C)C1 ZINC000412042903 191248792 /nfs/dbraw/zinc/24/87/92/191248792.db2.gz VQCRTAZFDMCOJK-UHFFFAOYSA-N 1 1 208.349 3.191 20 30 BGEDMO CC[N@@H+](CCCSCC#N)C1CC(C)(C)C1 ZINC000412043441 191250309 /nfs/dbraw/zinc/25/03/09/191250309.db2.gz WIGZLMLAHXFXSC-UHFFFAOYSA-N 1 1 240.416 3.144 20 30 BGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(F)cc1C#N ZINC000412045225 191242706 /nfs/dbraw/zinc/24/27/06/191242706.db2.gz PPCUPBIQMNIPGB-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(F)cc1C#N ZINC000412045226 191243504 /nfs/dbraw/zinc/24/35/04/191243504.db2.gz PPCUPBIQMNIPGB-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO CC[N@@H+](CC1(C#N)CCC1)C1CC(C)(C)C1 ZINC000412045985 191243371 /nfs/dbraw/zinc/24/33/71/191243371.db2.gz ZYCAJXBSDAVSLI-UHFFFAOYSA-N 1 1 220.360 3.191 20 30 BGEDMO C[C@H]1CC(C)(C)C[N@H+]1CC#Cc1ccccc1 ZINC000412049436 191244784 /nfs/dbraw/zinc/24/47/84/191244784.db2.gz WNAXKQJFXAWEJU-AWEZNQCLSA-N 1 1 227.351 3.159 20 30 BGEDMO C[C@@H]1CC(C)(C)C[N@H+]1CC#Cc1ccccc1 ZINC000412049437 191244880 /nfs/dbraw/zinc/24/48/80/191244880.db2.gz WNAXKQJFXAWEJU-CQSZACIVSA-N 1 1 227.351 3.159 20 30 BGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000412050385 191245706 /nfs/dbraw/zinc/24/57/06/191245706.db2.gz YIMZOLQSXCGNCH-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000412050386 191244909 /nfs/dbraw/zinc/24/49/09/191244909.db2.gz YIMZOLQSXCGNCH-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cccc(C#N)c1F ZINC000412050394 191246204 /nfs/dbraw/zinc/24/62/04/191246204.db2.gz YKCOOGBRNFUHNS-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cccc(C#N)c1F ZINC000412050395 191245750 /nfs/dbraw/zinc/24/57/50/191245750.db2.gz YKCOOGBRNFUHNS-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO CCc1[nH+]ccn1CCC1(C#N)CCCCC1 ZINC000413004053 191336970 /nfs/dbraw/zinc/33/69/70/191336970.db2.gz VYLKNUZTSMYJFO-UHFFFAOYSA-N 1 1 231.343 3.310 20 30 BGEDMO CC(C)[C@H]1[N@@H+](CCC#N)CC12CCCCC2 ZINC000414149580 385999692 /nfs/dbraw/zinc/99/96/92/385999692.db2.gz SZSSNPNEYMVVST-CYBMUJFWSA-N 1 1 220.360 3.191 20 30 BGEDMO CC(C)[C@@H]1[N@@H+](CCC#N)CC12CCCCC2 ZINC000414149582 385999092 /nfs/dbraw/zinc/99/90/92/385999092.db2.gz SZSSNPNEYMVVST-ZDUSSCGKSA-N 1 1 220.360 3.191 20 30 BGEDMO Cc1nc([C@@H](C)[NH2+]CC(C)(C)CC#N)cs1 ZINC000414161053 386044895 /nfs/dbraw/zinc/04/48/95/386044895.db2.gz FAJFRPTTWICTOC-SECBINFHSA-N 1 1 237.372 3.042 20 30 BGEDMO Cc1nc([C@H](C)[NH2+]CC(C)(C)CC#N)cs1 ZINC000414161054 386046333 /nfs/dbraw/zinc/04/63/33/386046333.db2.gz FAJFRPTTWICTOC-VIFPVBQESA-N 1 1 237.372 3.042 20 30 BGEDMO C=CCC[C@@H]([NH2+]Cc1cnc(C)o1)c1ccco1 ZINC000414189470 386029865 /nfs/dbraw/zinc/02/98/65/386029865.db2.gz SGCZMINBOJZSIH-CYBMUJFWSA-N 1 1 246.310 3.373 20 30 BGEDMO C=CCC[C@H]([NH2+]Cc1cnc(C)o1)c1ccco1 ZINC000414189475 386031137 /nfs/dbraw/zinc/03/11/37/386031137.db2.gz SGCZMINBOJZSIH-ZDUSSCGKSA-N 1 1 246.310 3.373 20 30 BGEDMO C=CCCCCC[N@H+](C)Cc1cnc(CC)nc1 ZINC000414396743 386288613 /nfs/dbraw/zinc/28/86/13/386288613.db2.gz PQYVZYOMGWCHFJ-UHFFFAOYSA-N 1 1 247.386 3.217 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccoc1C ZINC000414428462 386417170 /nfs/dbraw/zinc/41/71/70/386417170.db2.gz BFJMHCLSVQUVLD-CYBMUJFWSA-N 1 1 205.301 3.129 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccoc1C ZINC000414428463 386416397 /nfs/dbraw/zinc/41/63/97/386416397.db2.gz BFJMHCLSVQUVLD-ZDUSSCGKSA-N 1 1 205.301 3.129 20 30 BGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccoc1C ZINC000414440819 386473645 /nfs/dbraw/zinc/47/36/45/386473645.db2.gz YFSGUUFPGXMPLS-UHFFFAOYSA-N 1 1 245.322 3.412 20 30 BGEDMO Cc1cc(C[NH2+]CCC#N)ccc1C(F)(F)F ZINC000414448345 644863177 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C=CCCCCC[N@H+](C)[C@@H]1CCO[C@H](C)C1 ZINC000420915487 411405499 /nfs/dbraw/zinc/40/54/99/411405499.db2.gz MCCFYHOILUKNGQ-ZIAGYGMSSA-N 1 1 225.376 3.232 20 30 BGEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCC#N ZINC000420934465 192287211 /nfs/dbraw/zinc/28/72/11/192287211.db2.gz XNBRHSCCLIDNJW-HNNXBMFYSA-N 1 1 246.329 3.136 20 30 BGEDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCC#N ZINC000420934480 192286726 /nfs/dbraw/zinc/28/67/26/192286726.db2.gz XNBRHSCCLIDNJW-OAHLLOKOSA-N 1 1 246.329 3.136 20 30 BGEDMO C=CCC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420942864 192289529 /nfs/dbraw/zinc/28/95/29/192289529.db2.gz HQIZDNSVULWUFK-JTQLQIEISA-N 1 1 221.266 3.227 20 30 BGEDMO C=CCC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420942870 192288113 /nfs/dbraw/zinc/28/81/13/192288113.db2.gz HQIZDNSVULWUFK-SNVBAGLBSA-N 1 1 221.266 3.227 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420948889 192276819 /nfs/dbraw/zinc/27/68/19/192276819.db2.gz OHLCSHFMHKOIAI-GHMZBOCLSA-N 1 1 248.292 3.343 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420948909 192276003 /nfs/dbraw/zinc/27/60/03/192276003.db2.gz OHLCSHFMHKOIAI-MNOVXSKESA-N 1 1 248.292 3.343 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420948911 192276009 /nfs/dbraw/zinc/27/60/09/192276009.db2.gz OHLCSHFMHKOIAI-QWRGUYRKSA-N 1 1 248.292 3.343 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420948914 192275263 /nfs/dbraw/zinc/27/52/63/192275263.db2.gz OHLCSHFMHKOIAI-WDEREUQCSA-N 1 1 248.292 3.343 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420949647 192276945 /nfs/dbraw/zinc/27/69/45/192276945.db2.gz OXUNHLYHVMODTJ-LLVKDONJSA-N 1 1 233.277 3.064 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420949654 192276147 /nfs/dbraw/zinc/27/61/47/192276147.db2.gz OXUNHLYHVMODTJ-NSHDSACASA-N 1 1 233.277 3.064 20 30 BGEDMO N#CCCCC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420955933 192279746 /nfs/dbraw/zinc/27/97/46/192279746.db2.gz XHJISFWNZOTCSY-LLVKDONJSA-N 1 1 248.292 3.345 20 30 BGEDMO N#CCCCC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420955935 192279836 /nfs/dbraw/zinc/27/98/36/192279836.db2.gz XHJISFWNZOTCSY-NSHDSACASA-N 1 1 248.292 3.345 20 30 BGEDMO C=C(C)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420956032 192280511 /nfs/dbraw/zinc/28/05/11/192280511.db2.gz XMHNICFGTWDUQC-JTQLQIEISA-N 1 1 221.266 3.227 20 30 BGEDMO C=C(C)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420956034 192279802 /nfs/dbraw/zinc/27/98/02/192279802.db2.gz XMHNICFGTWDUQC-SNVBAGLBSA-N 1 1 221.266 3.227 20 30 BGEDMO N#CCCCC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000420958693 192280725 /nfs/dbraw/zinc/28/07/25/192280725.db2.gz CFLPTYBLKLFCCI-AWEZNQCLSA-N 1 1 220.360 3.192 20 30 BGEDMO N#CCCCC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420958695 192280646 /nfs/dbraw/zinc/28/06/46/192280646.db2.gz CFLPTYBLKLFCCI-CQSZACIVSA-N 1 1 220.360 3.192 20 30 BGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C3CCCC3)C2)C1 ZINC000420958702 192280996 /nfs/dbraw/zinc/28/09/96/192280996.db2.gz CGGDVYIRIUBWCJ-BPLDGKMQSA-N 1 1 232.371 3.191 20 30 BGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](C3CCCC3)C2)C1 ZINC000420958705 192281390 /nfs/dbraw/zinc/28/13/90/192281390.db2.gz CGGDVYIRIUBWCJ-SNPRPXQTSA-N 1 1 232.371 3.191 20 30 BGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C3CCCC3)C2)C1 ZINC000420958707 192282023 /nfs/dbraw/zinc/28/20/23/192282023.db2.gz CGGDVYIRIUBWCJ-VHDGCEQUSA-N 1 1 232.371 3.191 20 30 BGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C3CCCC3)C2)C1 ZINC000420958708 192281744 /nfs/dbraw/zinc/28/17/44/192281744.db2.gz CGGDVYIRIUBWCJ-YUELXQCFSA-N 1 1 232.371 3.191 20 30 BGEDMO C=CCOCCC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000420961471 192280922 /nfs/dbraw/zinc/28/09/22/192280922.db2.gz ILDBNLNVOQGBKF-HNNXBMFYSA-N 1 1 237.387 3.091 20 30 BGEDMO C=CCOCCC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420961474 192281049 /nfs/dbraw/zinc/28/10/49/192281049.db2.gz ILDBNLNVOQGBKF-OAHLLOKOSA-N 1 1 237.387 3.091 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000420962117 192283200 /nfs/dbraw/zinc/28/32/00/192283200.db2.gz JVKKPFSKJRJBQA-AWEZNQCLSA-N 1 1 234.387 3.438 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420962125 192282743 /nfs/dbraw/zinc/28/27/43/192282743.db2.gz JVKKPFSKJRJBQA-CQSZACIVSA-N 1 1 234.387 3.438 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420966985 192284412 /nfs/dbraw/zinc/28/44/12/192284412.db2.gz WVAQMGZVDJQMBA-GXTWGEPZSA-N 1 1 220.360 3.191 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000420966986 192284559 /nfs/dbraw/zinc/28/45/59/192284559.db2.gz WVAQMGZVDJQMBA-JSGCOSHPSA-N 1 1 220.360 3.191 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000420966987 192284786 /nfs/dbraw/zinc/28/47/86/192284786.db2.gz WVAQMGZVDJQMBA-OCCSQVGLSA-N 1 1 220.360 3.191 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420966988 192284837 /nfs/dbraw/zinc/28/48/37/192284837.db2.gz WVAQMGZVDJQMBA-TZMCWYRMSA-N 1 1 220.360 3.191 20 30 BGEDMO C=CCCCCC[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000420994959 192294338 /nfs/dbraw/zinc/29/43/38/192294338.db2.gz NTSQIMFJTBGXMN-AWEZNQCLSA-N 1 1 237.387 3.112 20 30 BGEDMO C=CCCCCC[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000420994960 192293714 /nfs/dbraw/zinc/29/37/14/192293714.db2.gz NTSQIMFJTBGXMN-CQSZACIVSA-N 1 1 237.387 3.112 20 30 BGEDMO C=C(C)CC[N@H+](C)C1CC(OC(C)(C)C)C1 ZINC000420997596 192294349 /nfs/dbraw/zinc/29/43/49/192294349.db2.gz AAIMIDKLRHCPQB-UHFFFAOYSA-N 1 1 225.376 3.231 20 30 BGEDMO CC(C)[N@@H+](CCC#N)[C@H](C)c1ccsc1 ZINC000420998314 192294056 /nfs/dbraw/zinc/29/40/56/192294056.db2.gz AXDOVQBXSDNETN-LLVKDONJSA-N 1 1 222.357 3.433 20 30 BGEDMO CC(C)[N@H+](CCC#N)[C@H](C)c1ccsc1 ZINC000420998314 192294053 /nfs/dbraw/zinc/29/40/53/192294053.db2.gz AXDOVQBXSDNETN-LLVKDONJSA-N 1 1 222.357 3.433 20 30 BGEDMO CC(C)[N@@H+](CCC#N)[C@@H](C)c1ccsc1 ZINC000420998352 192296461 /nfs/dbraw/zinc/29/64/61/192296461.db2.gz AXDOVQBXSDNETN-NSHDSACASA-N 1 1 222.357 3.433 20 30 BGEDMO CC(C)[N@H+](CCC#N)[C@@H](C)c1ccsc1 ZINC000420998352 192296459 /nfs/dbraw/zinc/29/64/59/192296459.db2.gz AXDOVQBXSDNETN-NSHDSACASA-N 1 1 222.357 3.433 20 30 BGEDMO C=CCCCCC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421016678 192303452 /nfs/dbraw/zinc/30/34/52/192303452.db2.gz MKHPUKPLSMAKJD-HNNXBMFYSA-N 1 1 239.403 3.217 20 30 BGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421016679 192303482 /nfs/dbraw/zinc/30/34/82/192303482.db2.gz MKHPUKPLSMAKJD-OAHLLOKOSA-N 1 1 239.403 3.217 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421021119 192306544 /nfs/dbraw/zinc/30/65/44/192306544.db2.gz SDWBXAORCRLCSP-CABCVRRESA-N 1 1 239.403 3.216 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421021120 192305873 /nfs/dbraw/zinc/30/58/73/192305873.db2.gz SDWBXAORCRLCSP-GJZGRUSLSA-N 1 1 239.403 3.216 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421021121 192306996 /nfs/dbraw/zinc/30/69/96/192306996.db2.gz SDWBXAORCRLCSP-HUUCEWRRSA-N 1 1 239.403 3.216 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421021122 192306809 /nfs/dbraw/zinc/30/68/09/192306809.db2.gz SDWBXAORCRLCSP-LSDHHAIUSA-N 1 1 239.403 3.216 20 30 BGEDMO C[C@H](CC#N)[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000421321425 192317910 /nfs/dbraw/zinc/31/79/10/192317910.db2.gz RERJMPSSHYKGDT-GFCCVEGCSA-N 1 1 228.339 3.298 20 30 BGEDMO C[C@H](CC#N)[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000421321425 192317908 /nfs/dbraw/zinc/31/79/08/192317908.db2.gz RERJMPSSHYKGDT-GFCCVEGCSA-N 1 1 228.339 3.298 20 30 BGEDMO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000421321427 192317531 /nfs/dbraw/zinc/31/75/31/192317531.db2.gz RERJMPSSHYKGDT-LBPRGKRZSA-N 1 1 228.339 3.298 20 30 BGEDMO C[C@@H](CC#N)[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000421321427 192317530 /nfs/dbraw/zinc/31/75/30/192317530.db2.gz RERJMPSSHYKGDT-LBPRGKRZSA-N 1 1 228.339 3.298 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000421325314 192317522 /nfs/dbraw/zinc/31/75/22/192317522.db2.gz ZCJXEPPRNQXGGQ-GFCCVEGCSA-N 1 1 228.339 3.155 20 30 BGEDMO C[C@H](C#N)C[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000421325314 192317521 /nfs/dbraw/zinc/31/75/21/192317521.db2.gz ZCJXEPPRNQXGGQ-GFCCVEGCSA-N 1 1 228.339 3.155 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000421325317 192317662 /nfs/dbraw/zinc/31/76/62/192317662.db2.gz ZCJXEPPRNQXGGQ-LBPRGKRZSA-N 1 1 228.339 3.155 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000421325317 192317661 /nfs/dbraw/zinc/31/76/61/192317661.db2.gz ZCJXEPPRNQXGGQ-LBPRGKRZSA-N 1 1 228.339 3.155 20 30 BGEDMO CC[N@@H+](CCC#N)Cc1cccc(C2CC2)c1 ZINC000421329138 192317413 /nfs/dbraw/zinc/31/74/13/192317413.db2.gz NAVNZWPVWQBPID-UHFFFAOYSA-N 1 1 228.339 3.300 20 30 BGEDMO CC[N@H+](CCC#N)Cc1cccc(C2CC2)c1 ZINC000421329138 192317410 /nfs/dbraw/zinc/31/74/10/192317410.db2.gz NAVNZWPVWQBPID-UHFFFAOYSA-N 1 1 228.339 3.300 20 30 BGEDMO C=CC[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000421340278 192318625 /nfs/dbraw/zinc/31/86/25/192318625.db2.gz ICIZLTWBEMRHON-UHFFFAOYSA-N 1 1 201.313 3.182 20 30 BGEDMO CCc1ccc(C[NH2+]Cc2ccc(C#N)s2)o1 ZINC000421354197 192321317 /nfs/dbraw/zinc/32/13/17/192321317.db2.gz RASAXSNJXRBVND-UHFFFAOYSA-N 1 1 246.335 3.065 20 30 BGEDMO C=CC[N@H+](CCOC)Cc1cccc(C2CC2)c1 ZINC000421383934 192325057 /nfs/dbraw/zinc/32/50/57/192325057.db2.gz JXPFVUDEQDCVSK-UHFFFAOYSA-N 1 1 245.366 3.198 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CCCC3)C2)o1 ZINC000421399103 192329661 /nfs/dbraw/zinc/32/96/61/192329661.db2.gz ZSGQETOFEGOPJZ-CYBMUJFWSA-N 1 1 244.338 3.163 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C3CCCC3)C2)o1 ZINC000421399109 192329402 /nfs/dbraw/zinc/32/94/02/192329402.db2.gz ZSGQETOFEGOPJZ-ZDUSSCGKSA-N 1 1 244.338 3.163 20 30 BGEDMO C=CCC[C@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000422991499 387799828 /nfs/dbraw/zinc/79/98/28/387799828.db2.gz BHRMTIRPUIQFOI-INIZCTEOSA-N 1 1 244.382 3.036 20 30 BGEDMO C=CCC[C@@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000422991500 387800811 /nfs/dbraw/zinc/80/08/11/387800811.db2.gz BHRMTIRPUIQFOI-MRXNPFEDSA-N 1 1 244.382 3.036 20 30 BGEDMO C=CCC[C@H](CCC)[NH2+]CC1(N)CCCCC1 ZINC000423188437 387973873 /nfs/dbraw/zinc/97/38/73/387973873.db2.gz ZENOXVGCXLANAK-AWEZNQCLSA-N 1 1 238.419 3.373 20 30 BGEDMO C=CCC[C@@H](CCC)[NH2+]CC1(N)CCCCC1 ZINC000423188438 387973729 /nfs/dbraw/zinc/97/37/29/387973729.db2.gz ZENOXVGCXLANAK-CQSZACIVSA-N 1 1 238.419 3.373 20 30 BGEDMO C=CCCCC[C@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423188444 387973176 /nfs/dbraw/zinc/97/31/76/387973176.db2.gz ZEXSFOHACJXTHL-AWEZNQCLSA-N 1 1 238.419 3.373 20 30 BGEDMO C=CCCCC[C@@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423188445 387974196 /nfs/dbraw/zinc/97/41/96/387974196.db2.gz ZEXSFOHACJXTHL-CQSZACIVSA-N 1 1 238.419 3.373 20 30 BGEDMO C=CC[C@H](C)[C@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423203236 387989927 /nfs/dbraw/zinc/98/99/27/387989927.db2.gz RZFIBUCFNMITMR-KBPBESRZSA-N 1 1 238.419 3.228 20 30 BGEDMO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423203237 387988911 /nfs/dbraw/zinc/98/89/11/387988911.db2.gz RZFIBUCFNMITMR-KGLIPLIRSA-N 1 1 238.419 3.228 20 30 BGEDMO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423203238 387988889 /nfs/dbraw/zinc/98/88/89/387988889.db2.gz RZFIBUCFNMITMR-UONOGXRCSA-N 1 1 238.419 3.228 20 30 BGEDMO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423203239 192626253 /nfs/dbraw/zinc/62/62/53/192626253.db2.gz RZFIBUCFNMITMR-ZIAGYGMSSA-N 1 1 238.419 3.228 20 30 BGEDMO C=CCC[C@H](CC)[NH2+]CC1(N)CCCCCC1 ZINC000423204574 387991121 /nfs/dbraw/zinc/99/11/21/387991121.db2.gz UUICYBQQYOSIAD-AWEZNQCLSA-N 1 1 238.419 3.373 20 30 BGEDMO C=CCC[C@@H](CC)[NH2+]CC1(N)CCCCCC1 ZINC000423204575 387990906 /nfs/dbraw/zinc/99/09/06/387990906.db2.gz UUICYBQQYOSIAD-CQSZACIVSA-N 1 1 238.419 3.373 20 30 BGEDMO C=CCC[C@@H](C)[NH2+]c1ccc2c(c1)CCN2 ZINC000423217510 388000641 /nfs/dbraw/zinc/00/06/41/388000641.db2.gz PYIZPVHUYBMTJE-LLVKDONJSA-N 1 1 216.328 3.421 20 30 BGEDMO C=CCC[C@H](C)[NH2+]c1ccc2c(c1)CCN2 ZINC000423217511 388000501 /nfs/dbraw/zinc/00/05/01/388000501.db2.gz PYIZPVHUYBMTJE-NSHDSACASA-N 1 1 216.328 3.421 20 30 BGEDMO C=CCC[C@@H](CCC)[NH2+]CC(N)(CC)CC ZINC000423288121 192680601 /nfs/dbraw/zinc/68/06/01/192680601.db2.gz QQKIMDQMMHUNFD-CYBMUJFWSA-N 1 1 226.408 3.228 20 30 BGEDMO C=CCC[C@H](CCC)[NH2+]CC(N)(CC)CC ZINC000423288122 388073047 /nfs/dbraw/zinc/07/30/47/388073047.db2.gz QQKIMDQMMHUNFD-ZDUSSCGKSA-N 1 1 226.408 3.228 20 30 BGEDMO C=CCCCC[C@@H](C)[NH2+]CC(N)(CC)CC ZINC000423291644 388076163 /nfs/dbraw/zinc/07/61/63/388076163.db2.gz JFWVLDVOSHEMAL-CYBMUJFWSA-N 1 1 226.408 3.228 20 30 BGEDMO C=CCCCC[C@H](C)[NH2+]CC(N)(CC)CC ZINC000423291645 388075847 /nfs/dbraw/zinc/07/58/47/388075847.db2.gz JFWVLDVOSHEMAL-ZDUSSCGKSA-N 1 1 226.408 3.228 20 30 BGEDMO C=CCC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccco1 ZINC000423405531 384855300 /nfs/dbraw/zinc/85/53/00/384855300.db2.gz YBUFLYSHGGJLST-IHRRRGAJSA-N 1 1 248.370 3.146 20 30 BGEDMO C=CCC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC000423405533 384856620 /nfs/dbraw/zinc/85/66/20/384856620.db2.gz YBUFLYSHGGJLST-MCIONIFRSA-N 1 1 248.370 3.146 20 30 BGEDMO C=CCC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccco1 ZINC000423405534 384856060 /nfs/dbraw/zinc/85/60/60/384856060.db2.gz YBUFLYSHGGJLST-MJBXVCDLSA-N 1 1 248.370 3.146 20 30 BGEDMO C=CCC[N@H+](C)Cc1c(F)cc(C)cc1F ZINC000425335933 386850802 /nfs/dbraw/zinc/85/08/02/386850802.db2.gz JGJFOGMEMLQVKQ-UHFFFAOYSA-N 1 1 225.282 3.281 20 30 BGEDMO C=CCC[N@@H+](C)Cc1c(F)cc(C)cc1F ZINC000425335933 386850795 /nfs/dbraw/zinc/85/07/95/386850795.db2.gz JGJFOGMEMLQVKQ-UHFFFAOYSA-N 1 1 225.282 3.281 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cncn1C(C)C ZINC000425336117 386850499 /nfs/dbraw/zinc/85/04/99/386850499.db2.gz JULLXHFYXUPQGC-CYBMUJFWSA-N 1 1 233.359 3.005 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cncn1C(C)C ZINC000425336118 386851525 /nfs/dbraw/zinc/85/15/25/386851525.db2.gz JULLXHFYXUPQGC-ZDUSSCGKSA-N 1 1 233.359 3.005 20 30 BGEDMO CCSCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425366997 388704092 /nfs/dbraw/zinc/70/40/92/388704092.db2.gz RIDSYTQWOXGCTC-GFCCVEGCSA-N 1 1 248.395 3.304 20 30 BGEDMO CCSCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425366998 388704320 /nfs/dbraw/zinc/70/43/20/388704320.db2.gz RIDSYTQWOXGCTC-LBPRGKRZSA-N 1 1 248.395 3.304 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1C[C@H]1C ZINC000425369283 388704256 /nfs/dbraw/zinc/70/42/56/388704256.db2.gz ZXSNVNNFKRPHCU-JMSVASOKSA-N 1 1 228.339 3.207 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1C[C@H]1C ZINC000425369285 388704220 /nfs/dbraw/zinc/70/42/20/388704220.db2.gz ZXSNVNNFKRPHCU-LALPHHSUSA-N 1 1 228.339 3.207 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1C[C@H]1C ZINC000425369287 388704476 /nfs/dbraw/zinc/70/44/76/388704476.db2.gz ZXSNVNNFKRPHCU-TYNCELHUSA-N 1 1 228.339 3.207 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1C[C@H]1C ZINC000425369289 388704590 /nfs/dbraw/zinc/70/45/90/388704590.db2.gz ZXSNVNNFKRPHCU-XUJVJEKNSA-N 1 1 228.339 3.207 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](OC)C1CC1 ZINC000425379092 387032077 /nfs/dbraw/zinc/03/20/77/387032077.db2.gz ARDONAAYUHTVBX-INIZCTEOSA-N 1 1 245.366 3.100 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](OC)C1CC1 ZINC000425379093 387032501 /nfs/dbraw/zinc/03/25/01/387032501.db2.gz ARDONAAYUHTVBX-MRXNPFEDSA-N 1 1 245.366 3.100 20 30 BGEDMO C=CCCCCC[N@H+](C)C[C@H](OC)C1CC1 ZINC000425413490 385981466 /nfs/dbraw/zinc/98/14/66/385981466.db2.gz DHYLQKKVHBPBLQ-AWEZNQCLSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCCCC[N@H+](C)C[C@@H](OC)C1CC1 ZINC000425413492 385980988 /nfs/dbraw/zinc/98/09/88/385980988.db2.gz DHYLQKKVHBPBLQ-CQSZACIVSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCCCC[N@@H+]1CCN(C)C[C@H]1C(C)C ZINC000425484118 386176987 /nfs/dbraw/zinc/17/69/87/386176987.db2.gz SBGMQHKZSBCADI-HNNXBMFYSA-N 1 1 238.419 3.005 20 30 BGEDMO C=CCCCCC[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000425484120 386176384 /nfs/dbraw/zinc/17/63/84/386176384.db2.gz SBGMQHKZSBCADI-OAHLLOKOSA-N 1 1 238.419 3.005 20 30 BGEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)[C@H](C)C1 ZINC000425524322 386324373 /nfs/dbraw/zinc/32/43/73/386324373.db2.gz RDQGVZMXUXZGPW-HUUCEWRRSA-N 1 1 227.351 3.159 20 30 BGEDMO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)[C@H](C)C1 ZINC000425526324 388706633 /nfs/dbraw/zinc/70/66/33/388706633.db2.gz WMEGWIUOULJCQD-VXGBXAGGSA-N 1 1 246.329 3.318 20 30 BGEDMO CC[C@@H](F)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425531141 388707010 /nfs/dbraw/zinc/70/70/10/388707010.db2.gz GTPKTDVJTCPEFG-BXUZGUMPSA-N 1 1 234.318 3.299 20 30 BGEDMO CC[C@H](F)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425531144 388706253 /nfs/dbraw/zinc/70/62/53/388706253.db2.gz GTPKTDVJTCPEFG-FZMZJTMJSA-N 1 1 234.318 3.299 20 30 BGEDMO CC[C@H](F)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425531146 388706616 /nfs/dbraw/zinc/70/66/16/388706616.db2.gz GTPKTDVJTCPEFG-RISCZKNCSA-N 1 1 234.318 3.299 20 30 BGEDMO CC[C@@H](F)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425531147 388706879 /nfs/dbraw/zinc/70/68/79/388706879.db2.gz GTPKTDVJTCPEFG-SMDDNHRTSA-N 1 1 234.318 3.299 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCCF ZINC000425532422 388706579 /nfs/dbraw/zinc/70/65/79/388706579.db2.gz JJGZTOBZFYZFFR-GFCCVEGCSA-N 1 1 234.318 3.301 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCCF ZINC000425532428 388706969 /nfs/dbraw/zinc/70/69/69/388706969.db2.gz JJGZTOBZFYZFFR-LBPRGKRZSA-N 1 1 234.318 3.301 20 30 BGEDMO C[C@@H](F)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425532465 388706943 /nfs/dbraw/zinc/70/69/43/388706943.db2.gz JLBYYWCREHZMFT-NEPJUHHUSA-N 1 1 234.318 3.299 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC[C@H](C)F ZINC000425532467 388706475 /nfs/dbraw/zinc/70/64/75/388706475.db2.gz JLBYYWCREHZMFT-NWDGAFQWSA-N 1 1 234.318 3.299 20 30 BGEDMO C[C@H](F)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425532470 388706932 /nfs/dbraw/zinc/70/69/32/388706932.db2.gz JLBYYWCREHZMFT-RYUDHWBXSA-N 1 1 234.318 3.299 20 30 BGEDMO C[C@@H](F)CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425532472 388707175 /nfs/dbraw/zinc/70/71/75/388707175.db2.gz JLBYYWCREHZMFT-VXGBXAGGSA-N 1 1 234.318 3.299 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCCC#N ZINC000425539674 386342373 /nfs/dbraw/zinc/34/23/73/386342373.db2.gz UFVHQVLHDSUAOH-CYBMUJFWSA-N 1 1 241.338 3.245 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCCC#N ZINC000425539679 386341514 /nfs/dbraw/zinc/34/15/14/386341514.db2.gz UFVHQVLHDSUAOH-ZDUSSCGKSA-N 1 1 241.338 3.245 20 30 BGEDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](CCC#N)C1 ZINC000425540711 386341264 /nfs/dbraw/zinc/34/12/64/386341264.db2.gz LYPMEFTVHDPLQR-AWEZNQCLSA-N 1 1 228.339 3.373 20 30 BGEDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](CCC#N)C1 ZINC000425540712 386341419 /nfs/dbraw/zinc/34/14/19/386341419.db2.gz LYPMEFTVHDPLQR-CQSZACIVSA-N 1 1 228.339 3.373 20 30 BGEDMO C=C(CC)C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425546386 386556759 /nfs/dbraw/zinc/55/67/59/386556759.db2.gz DVISZMJKWSSHCS-HNNXBMFYSA-N 1 1 249.398 3.234 20 30 BGEDMO C=C(CC)C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425546388 386555371 /nfs/dbraw/zinc/55/53/71/386555371.db2.gz DVISZMJKWSSHCS-OAHLLOKOSA-N 1 1 249.398 3.234 20 30 BGEDMO C=CCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425548778 386598101 /nfs/dbraw/zinc/59/81/01/386598101.db2.gz GXLBOJGHEDBLEG-HNNXBMFYSA-N 1 1 249.398 3.234 20 30 BGEDMO C=CCCC[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425548780 386598054 /nfs/dbraw/zinc/59/80/54/386598054.db2.gz GXLBOJGHEDBLEG-OAHLLOKOSA-N 1 1 249.398 3.234 20 30 BGEDMO C=C(C)CC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425552698 386624638 /nfs/dbraw/zinc/62/46/38/386624638.db2.gz LIVXVSXKBXJVCT-HNNXBMFYSA-N 1 1 249.398 3.234 20 30 BGEDMO C=C(C)CC[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425552699 386622793 /nfs/dbraw/zinc/62/27/93/386622793.db2.gz LIVXVSXKBXJVCT-OAHLLOKOSA-N 1 1 249.398 3.234 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(OCC)c(F)c1 ZINC000425966526 387075423 /nfs/dbraw/zinc/07/54/23/387075423.db2.gz XCHGSFIUHTZQEO-UHFFFAOYSA-N 1 1 237.318 3.232 20 30 BGEDMO C=CCC[N@H+](C)Cc1scnc1C1CC1 ZINC000425966867 491130645 /nfs/dbraw/zinc/13/06/45/491130645.db2.gz YEXBADNCWRLTOG-UHFFFAOYSA-N 1 1 222.357 3.028 20 30 BGEDMO Cc1cc(C(F)(F)F)ccc1C[NH2+]CCC#N ZINC000425984498 398222503 /nfs/dbraw/zinc/22/25/03/398222503.db2.gz IOZVLHYLSKYACX-UHFFFAOYSA-N 1 1 242.244 3.017 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1nc(CCC)cs1 ZINC000426040965 386538952 /nfs/dbraw/zinc/53/89/52/386538952.db2.gz BZLRLGWTKGYIIY-UHFFFAOYSA-N 1 1 238.400 3.494 20 30 BGEDMO C=C(C)C[N@@H+](CC)Cc1nc(CCC)cs1 ZINC000426040965 386538945 /nfs/dbraw/zinc/53/89/45/386538945.db2.gz BZLRLGWTKGYIIY-UHFFFAOYSA-N 1 1 238.400 3.494 20 30 BGEDMO C=CC[N@@H+](Cc1scnc1C1CC1)C1CC1 ZINC000426142773 491130869 /nfs/dbraw/zinc/13/08/69/491130869.db2.gz JLMLJXCENINQGE-UHFFFAOYSA-N 1 1 234.368 3.171 20 30 BGEDMO C=CC[N@H+](Cc1scnc1C1CC1)C1CC1 ZINC000426142773 491130868 /nfs/dbraw/zinc/13/08/68/491130868.db2.gz JLMLJXCENINQGE-UHFFFAOYSA-N 1 1 234.368 3.171 20 30 BGEDMO C=CC[N@H+](Cc1ccc(OCC)c(F)c1)C1CC1 ZINC000426142953 387542548 /nfs/dbraw/zinc/54/25/48/387542548.db2.gz KCYXZWMDSPLSRE-UHFFFAOYSA-N 1 1 249.329 3.375 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1scnc1C1CC1 ZINC000426153206 491102348 /nfs/dbraw/zinc/10/23/48/491102348.db2.gz LBDPUYZYPKHMEW-UHFFFAOYSA-N 1 1 222.357 3.028 20 30 BGEDMO C=CC[N@H+](C)Cc1cccc(Cl)c1OCC ZINC000426153799 387541336 /nfs/dbraw/zinc/54/13/36/387541336.db2.gz ORJNHKYMMXHRNM-UHFFFAOYSA-N 1 1 239.746 3.357 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(OCC)c(F)c1 ZINC000426154542 387543118 /nfs/dbraw/zinc/54/31/18/387543118.db2.gz VPPCPKHYCZPALG-UHFFFAOYSA-N 1 1 237.318 3.232 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1nc(CCC)cs1 ZINC000426351238 387559044 /nfs/dbraw/zinc/55/90/44/387559044.db2.gz HVXYRRZMMADXEC-UHFFFAOYSA-N 1 1 224.373 3.104 20 30 BGEDMO C=C(C)C[N@@H+](C)Cc1nc(CCC)cs1 ZINC000426351238 387559041 /nfs/dbraw/zinc/55/90/41/387559041.db2.gz HVXYRRZMMADXEC-UHFFFAOYSA-N 1 1 224.373 3.104 20 30 BGEDMO C=CC[N@H+](C)Cc1ccc2nc(C)sc2c1 ZINC000426353872 387558609 /nfs/dbraw/zinc/55/86/09/387558609.db2.gz RFSKXGUPEJOUSY-UHFFFAOYSA-N 1 1 232.352 3.223 20 30 BGEDMO C=CCC[N@H+](C)Cc1nc(CCC)cs1 ZINC000426362664 387560264 /nfs/dbraw/zinc/56/02/64/387560264.db2.gz BOPOKYDGVXURQQ-UHFFFAOYSA-N 1 1 224.373 3.104 20 30 BGEDMO CC(C)C[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426377142 387562998 /nfs/dbraw/zinc/56/29/98/387562998.db2.gz BJHFXLHKKONJCT-UHFFFAOYSA-N 1 1 235.758 3.279 20 30 BGEDMO CCCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426387947 387563223 /nfs/dbraw/zinc/56/32/23/387563223.db2.gz DJHIBURCEQHWLG-UHFFFAOYSA-N 1 1 235.758 3.423 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)CC(C)(C)COC ZINC000426397869 387564322 /nfs/dbraw/zinc/56/43/22/387564322.db2.gz VCKLYGDAICYQKI-UHFFFAOYSA-N 1 1 247.382 3.347 20 30 BGEDMO C=CCCC[N@H+](C)Cc1nc(CCC)cs1 ZINC000426400747 387565225 /nfs/dbraw/zinc/56/52/25/387565225.db2.gz KITBQSBHFVNICN-UHFFFAOYSA-N 1 1 238.400 3.494 20 30 BGEDMO C=CCCCCC[N@H+](C)CC(C)(C)COC ZINC000426419555 206047262 /nfs/dbraw/zinc/04/72/62/206047262.db2.gz LYNCMFWVCAADNA-UHFFFAOYSA-N 1 1 227.392 3.337 20 30 BGEDMO CCC[N@@H+](CC)CC#Cc1ccc(Cl)cc1 ZINC000426419858 206048125 /nfs/dbraw/zinc/04/81/25/206048125.db2.gz NBUOYKOQJVKVMC-UHFFFAOYSA-N 1 1 235.758 3.423 20 30 BGEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H]1C ZINC000426429322 206050309 /nfs/dbraw/zinc/05/03/09/206050309.db2.gz XJMVXUGTUBRBCW-OLZOCXBDSA-N 1 1 247.769 3.422 20 30 BGEDMO C[C@@H]1[C@@H](C)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426429323 206052730 /nfs/dbraw/zinc/05/27/30/206052730.db2.gz XJMVXUGTUBRBCW-QWHCGFSZSA-N 1 1 247.769 3.422 20 30 BGEDMO C[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H]1C ZINC000426429324 206053137 /nfs/dbraw/zinc/05/31/37/206053137.db2.gz XJMVXUGTUBRBCW-STQMWFEESA-N 1 1 247.769 3.422 20 30 BGEDMO Clc1ccc(C#CC[N@H+]2CCC23CCC3)cc1 ZINC000426447546 384811973 /nfs/dbraw/zinc/81/19/73/384811973.db2.gz AKJDUKVNKMXJFC-UHFFFAOYSA-N 1 1 245.753 3.320 20 30 BGEDMO C[C@@H]1C[C@@H](C)[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000426448967 384808359 /nfs/dbraw/zinc/80/83/59/384808359.db2.gz HOLVJDMYQCWUHY-CHWSQXEVSA-N 1 1 247.769 3.422 20 30 BGEDMO C[C@@H]1C[C@H](C)[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000426448969 384805941 /nfs/dbraw/zinc/80/59/41/384805941.db2.gz HOLVJDMYQCWUHY-OLZOCXBDSA-N 1 1 247.769 3.422 20 30 BGEDMO C[C@@H]1C[C@H](C)C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426448971 384807664 /nfs/dbraw/zinc/80/76/64/384807664.db2.gz HOLVJDMYQCWUHY-QWHCGFSZSA-N 1 1 247.769 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ZINC000426554933 191097488 /nfs/dbraw/zinc/09/74/88/191097488.db2.gz XTWPOBIAUSUQON-GFCCVEGCSA-N 1 1 232.352 3.160 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000426554936 191097451 /nfs/dbraw/zinc/09/74/51/191097451.db2.gz XTWPOBIAUSUQON-LBPRGKRZSA-N 1 1 232.352 3.160 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccccc1OC ZINC000426558156 206052407 /nfs/dbraw/zinc/05/24/07/206052407.db2.gz HRXKMDGKJTTZJQ-AWEZNQCLSA-N 1 1 231.339 3.236 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccccc1OC ZINC000426558157 387580582 /nfs/dbraw/zinc/58/05/82/387580582.db2.gz HRXKMDGKJTTZJQ-CQSZACIVSA-N 1 1 231.339 3.236 20 30 BGEDMO C[N@@H+](Cc1ccc(C#N)s1)C1(C)CCCC1 ZINC000426558703 206050333 /nfs/dbraw/zinc/05/03/33/206050333.db2.gz HJKNISNUWDUDJV-UHFFFAOYSA-N 1 1 234.368 3.384 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000426559420 206051582 /nfs/dbraw/zinc/05/15/82/206051582.db2.gz MIPNAICNLCYTGE-AWEZNQCLSA-N 1 1 247.386 3.179 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000426559423 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/nfs/dbraw/zinc/58/11/61/387581161.db2.gz GSVONTOQMIXOSR-NSHDSACASA-N 1 1 236.384 3.246 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1sccc1OC ZINC000426581843 360526367 /nfs/dbraw/zinc/52/63/67/360526367.db2.gz WRUSYYGZPIZTEO-LLVKDONJSA-N 1 1 237.368 3.297 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1sccc1OC ZINC000426581849 360526288 /nfs/dbraw/zinc/52/62/88/360526288.db2.gz WRUSYYGZPIZTEO-NSHDSACASA-N 1 1 237.368 3.297 20 30 BGEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000427011818 191050019 /nfs/dbraw/zinc/05/00/19/191050019.db2.gz JSJANZQDRWHRII-GFCCVEGCSA-N 1 1 233.742 3.033 20 30 BGEDMO C[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000427011819 191050279 /nfs/dbraw/zinc/05/02/79/191050279.db2.gz JSJANZQDRWHRII-LBPRGKRZSA-N 1 1 233.742 3.033 20 30 BGEDMO C=C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000427018599 191051428 /nfs/dbraw/zinc/05/14/28/191051428.db2.gz AWLKDKOZLCAQKW-UHFFFAOYSA-N 1 1 245.753 3.344 20 30 BGEDMO CC1(C)CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428202006 191089829 /nfs/dbraw/zinc/08/98/29/191089829.db2.gz CHAUZZHEKZDUGO-UHFFFAOYSA-N 1 1 232.302 3.072 20 30 BGEDMO CC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428203108 191090659 /nfs/dbraw/zinc/09/06/59/191090659.db2.gz FTZRDFFXDLNGNP-GFCCVEGCSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428203113 191090584 /nfs/dbraw/zinc/09/05/84/191090584.db2.gz FTZRDFFXDLNGNP-LBPRGKRZSA-N 1 1 246.329 3.319 20 30 BGEDMO C=CCCC[C@H](C)N1CCC[N@H+](C(C)C)CC1 ZINC000428208888 201001759 /nfs/dbraw/zinc/00/17/59/201001759.db2.gz RDSYUIVZAKTRPC-HNNXBMFYSA-N 1 1 238.419 3.147 20 30 BGEDMO C=CCCC[C@H](C)N1CCC[N@@H+](C(C)C)CC1 ZINC000428208888 201001758 /nfs/dbraw/zinc/00/17/58/201001758.db2.gz RDSYUIVZAKTRPC-HNNXBMFYSA-N 1 1 238.419 3.147 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCCN(C(C)C)CC1 ZINC000428208888 201001755 /nfs/dbraw/zinc/00/17/55/201001755.db2.gz RDSYUIVZAKTRPC-HNNXBMFYSA-N 1 1 238.419 3.147 20 30 BGEDMO C=CCCC[C@@H](C)N1CCC[N@H+](C(C)C)CC1 ZINC000428208897 201001737 /nfs/dbraw/zinc/00/17/37/201001737.db2.gz RDSYUIVZAKTRPC-OAHLLOKOSA-N 1 1 238.419 3.147 20 30 BGEDMO C=CCCC[C@@H](C)N1CCC[N@@H+](C(C)C)CC1 ZINC000428208897 201001735 /nfs/dbraw/zinc/00/17/35/201001735.db2.gz RDSYUIVZAKTRPC-OAHLLOKOSA-N 1 1 238.419 3.147 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(C(C)C)CC1 ZINC000428208897 201001733 /nfs/dbraw/zinc/00/17/33/201001733.db2.gz RDSYUIVZAKTRPC-OAHLLOKOSA-N 1 1 238.419 3.147 20 30 BGEDMO CC1(C)CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428209777 201002327 /nfs/dbraw/zinc/00/23/27/201002327.db2.gz REWVEWDBGKIANO-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO C=CC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428210767 201002679 /nfs/dbraw/zinc/00/26/79/201002679.db2.gz JKHQPTIUTOBAKZ-UHFFFAOYSA-N 1 1 244.313 3.095 20 30 BGEDMO CC[C@@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428213671 388720078 /nfs/dbraw/zinc/72/00/78/388720078.db2.gz VDCWSXATPZURCR-GFCCVEGCSA-N 1 1 232.302 3.072 20 30 BGEDMO CC[C@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428213672 388719263 /nfs/dbraw/zinc/71/92/63/388719263.db2.gz VDCWSXATPZURCR-LBPRGKRZSA-N 1 1 232.302 3.072 20 30 BGEDMO C=C1CC[NH+](Cc2oc(CCC)nc2C)CC1 ZINC000428213835 191098051 /nfs/dbraw/zinc/09/80/51/191098051.db2.gz AESJYXOCMSHQOZ-UHFFFAOYSA-N 1 1 234.343 3.088 20 30 BGEDMO C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)[C@H]1C ZINC000428216911 388719449 /nfs/dbraw/zinc/71/94/49/388719449.db2.gz QYUPDFOYXBXRGE-NEPJUHHUSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428216912 388719237 /nfs/dbraw/zinc/71/92/37/388719237.db2.gz QYUPDFOYXBXRGE-NWDGAFQWSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)[C@H]1C ZINC000428216915 388719867 /nfs/dbraw/zinc/71/98/67/388719867.db2.gz QYUPDFOYXBXRGE-RYUDHWBXSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)[C@@H]1C ZINC000428216916 388719225 /nfs/dbraw/zinc/71/92/25/388719225.db2.gz QYUPDFOYXBXRGE-VXGBXAGGSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428219886 388719936 /nfs/dbraw/zinc/71/99/36/388719936.db2.gz PZSNTHMSXVQOMA-NEPJUHHUSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cccc(F)c1C#N ZINC000428219887 388719748 /nfs/dbraw/zinc/71/97/48/388719748.db2.gz PZSNTHMSXVQOMA-NWDGAFQWSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428219889 388719727 /nfs/dbraw/zinc/71/97/27/388719727.db2.gz PZSNTHMSXVQOMA-RYUDHWBXSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428219890 388720102 /nfs/dbraw/zinc/72/01/02/388720102.db2.gz PZSNTHMSXVQOMA-VXGBXAGGSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)C(C)(C)C1 ZINC000428222414 388719761 /nfs/dbraw/zinc/71/97/61/388719761.db2.gz TXRLSFMKBPDINS-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)C(C)(C)C1 ZINC000428222416 388719640 /nfs/dbraw/zinc/71/96/40/388719640.db2.gz TXRLSFMKBPDINS-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428223295 388719429 /nfs/dbraw/zinc/71/94/29/388719429.db2.gz AMHWKCLJLLSSGP-HNNXBMFYSA-N 1 1 246.329 3.318 20 30 BGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428223298 388720056 /nfs/dbraw/zinc/72/00/56/388720056.db2.gz AMHWKCLJLLSSGP-OAHLLOKOSA-N 1 1 246.329 3.318 20 30 BGEDMO CCC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428226624 206057196 /nfs/dbraw/zinc/05/71/96/206057196.db2.gz VHFWTLWBPZFQHG-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc(F)c1C#N ZINC000428227789 206057409 /nfs/dbraw/zinc/05/74/09/206057409.db2.gz KJLCCRQEKGHKQR-TXEJJXNPSA-N 1 1 246.329 3.460 20 30 BGEDMO C[N@@H+](Cc1cccc(F)c1C#N)CC(C)(C)C ZINC000428228674 191105142 /nfs/dbraw/zinc/10/51/42/191105142.db2.gz LFVPMEFJZRNQHU-UHFFFAOYSA-N 1 1 234.318 3.175 20 30 BGEDMO CC(C)[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428229541 388719088 /nfs/dbraw/zinc/71/90/88/388719088.db2.gz NFXBLAVWHQURGZ-GFCCVEGCSA-N 1 1 246.329 3.175 20 30 BGEDMO CC(C)[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428229543 388719463 /nfs/dbraw/zinc/71/94/63/388719463.db2.gz NFXBLAVWHQURGZ-LBPRGKRZSA-N 1 1 246.329 3.175 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cccc(F)c1C#N ZINC000428231409 206057753 /nfs/dbraw/zinc/05/77/53/206057753.db2.gz VLYCOWLUEMSCRR-UHFFFAOYSA-N 1 1 232.302 3.095 20 30 BGEDMO C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428231776 206054288 /nfs/dbraw/zinc/05/42/88/206054288.db2.gz WWMXJPUHCRCJBR-GFCCVEGCSA-N 1 1 246.329 3.319 20 30 BGEDMO C[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428231777 206057822 /nfs/dbraw/zinc/05/78/22/206057822.db2.gz WWMXJPUHCRCJBR-LBPRGKRZSA-N 1 1 246.329 3.319 20 30 BGEDMO C=CCCC[N@H+](C)Cc1oc(CCC)nc1C ZINC000428233177 206055580 /nfs/dbraw/zinc/05/55/80/206055580.db2.gz QWTROWDZIPDUMY-UHFFFAOYSA-N 1 1 236.359 3.334 20 30 BGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC2(CCC2)C1 ZINC000428235888 206057206 /nfs/dbraw/zinc/05/72/06/206057206.db2.gz FCUNEWVWZPPOFU-UHFFFAOYSA-N 1 1 244.313 3.073 20 30 BGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000428235888 206057202 /nfs/dbraw/zinc/05/72/02/206057202.db2.gz FCUNEWVWZPPOFU-UHFFFAOYSA-N 1 1 244.313 3.073 20 30 BGEDMO C[C@@H]([N@@H+](C)Cc1cccc(F)c1C#N)C1(C)CC1 ZINC000428237054 206054506 /nfs/dbraw/zinc/05/45/06/206054506.db2.gz LXSWIKUOEZEQLC-LLVKDONJSA-N 1 1 246.329 3.318 20 30 BGEDMO C[C@H]([N@@H+](C)Cc1cccc(F)c1C#N)C1(C)CC1 ZINC000428237056 206054650 /nfs/dbraw/zinc/05/46/50/206054650.db2.gz LXSWIKUOEZEQLC-NSHDSACASA-N 1 1 246.329 3.318 20 30 BGEDMO CC[C@@]1(C)CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428238423 206056112 /nfs/dbraw/zinc/05/61/12/206056112.db2.gz NLVNGMVIGFXDMN-HNNXBMFYSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[C@]1(C)CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428238424 206056258 /nfs/dbraw/zinc/05/62/58/206056258.db2.gz NLVNGMVIGFXDMN-OAHLLOKOSA-N 1 1 246.329 3.319 20 30 BGEDMO CC[N@@H+](Cc1cccc(F)c1C#N)C1CCC1 ZINC000428241035 206055963 /nfs/dbraw/zinc/05/59/63/206055963.db2.gz CSLLGCIHOBXWIF-UHFFFAOYSA-N 1 1 232.302 3.072 20 30 BGEDMO CC[C@@H](C)C[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428244395 206058759 /nfs/dbraw/zinc/05/87/59/206058759.db2.gz DHSHVHBGEIVDRQ-LLVKDONJSA-N 1 1 234.318 3.175 20 30 BGEDMO CC[C@H](C)C[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428244397 206058135 /nfs/dbraw/zinc/05/81/35/206058135.db2.gz DHSHVHBGEIVDRQ-NSHDSACASA-N 1 1 234.318 3.175 20 30 BGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(F)c1C#N ZINC000428244799 206059694 /nfs/dbraw/zinc/05/96/94/206059694.db2.gz VTLRRDOZJDAJGR-PHIMTYICSA-N 1 1 232.302 3.070 20 30 BGEDMO CCC[N@@H+](Cc1cccc(F)c1C#N)C1CC1 ZINC000428250844 201003946 /nfs/dbraw/zinc/00/39/46/201003946.db2.gz ZVJUKWBTADZBTK-UHFFFAOYSA-N 1 1 232.302 3.072 20 30 BGEDMO CC1(C)CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428252994 201003753 /nfs/dbraw/zinc/00/37/53/201003753.db2.gz NQQPIXVAOMXRCG-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO CC1(C)CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428252994 201003750 /nfs/dbraw/zinc/00/37/50/201003750.db2.gz NQQPIXVAOMXRCG-UHFFFAOYSA-N 1 1 246.329 3.319 20 30 BGEDMO C[C@@H]1CCCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428255185 201003352 /nfs/dbraw/zinc/00/33/52/201003352.db2.gz WXTCCBIPZAQJID-GFCCVEGCSA-N 1 1 246.329 3.462 20 30 BGEDMO C[C@H]1CCCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428255186 201004462 /nfs/dbraw/zinc/00/44/62/201004462.db2.gz WXTCCBIPZAQJID-LBPRGKRZSA-N 1 1 246.329 3.462 20 30 BGEDMO C=CC[N@H+](Cc1oc(C(C)C)nc1C)C1CC1 ZINC000428287650 201006040 /nfs/dbraw/zinc/00/60/40/201006040.db2.gz DTKCJIRGQZUUPO-UHFFFAOYSA-N 1 1 234.343 3.257 20 30 BGEDMO C=CC[N@@H+](Cc1oc(C(C)C)nc1C)C1CC1 ZINC000428287650 201006038 /nfs/dbraw/zinc/00/60/38/201006038.db2.gz DTKCJIRGQZUUPO-UHFFFAOYSA-N 1 1 234.343 3.257 20 30 BGEDMO C=CC[N@H+](Cc1oc(CCC)nc1C)C1CC1 ZINC000428291474 201006182 /nfs/dbraw/zinc/00/61/82/201006182.db2.gz AMSOXJPSSRPWDZ-UHFFFAOYSA-N 1 1 234.343 3.086 20 30 BGEDMO C=CC[N@@H+](Cc1oc(CCC)nc1C)C1CC1 ZINC000428291474 201006178 /nfs/dbraw/zinc/00/61/78/201006178.db2.gz AMSOXJPSSRPWDZ-UHFFFAOYSA-N 1 1 234.343 3.086 20 30 BGEDMO 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1 1 231.339 3.236 20 30 BGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H]2CC)c1 ZINC000430195936 201152794 /nfs/dbraw/zinc/15/27/94/201152794.db2.gz POGDXXOZXAYMSI-CQSZACIVSA-N 1 1 231.339 3.236 20 30 BGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H]1CC ZINC000430197612 201152727 /nfs/dbraw/zinc/15/27/27/201152727.db2.gz VRDMQNHAJHRANE-AWEZNQCLSA-N 1 1 231.339 3.236 20 30 BGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H]1CC ZINC000430197613 201150545 /nfs/dbraw/zinc/15/05/45/201150545.db2.gz VRDMQNHAJHRANE-CQSZACIVSA-N 1 1 231.339 3.236 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430229507 201155921 /nfs/dbraw/zinc/15/59/21/201155921.db2.gz XUQDGRKDBHMLQH-CYBMUJFWSA-N 1 1 242.366 3.157 20 30 BGEDMO C[C@H](C#N)C[N@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430229507 201155918 /nfs/dbraw/zinc/15/59/18/201155918.db2.gz XUQDGRKDBHMLQH-CYBMUJFWSA-N 1 1 242.366 3.157 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430229509 201156986 /nfs/dbraw/zinc/15/69/86/201156986.db2.gz XUQDGRKDBHMLQH-ZDUSSCGKSA-N 1 1 242.366 3.157 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430229509 201156983 /nfs/dbraw/zinc/15/69/83/201156983.db2.gz XUQDGRKDBHMLQH-ZDUSSCGKSA-N 1 1 242.366 3.157 20 30 BGEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430230547 201156870 /nfs/dbraw/zinc/15/68/70/201156870.db2.gz WLZRATHYXAVRLP-CYBMUJFWSA-N 1 1 242.366 3.299 20 30 BGEDMO C[C@H](CC#N)[N@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430230547 201156866 /nfs/dbraw/zinc/15/68/66/201156866.db2.gz WLZRATHYXAVRLP-CYBMUJFWSA-N 1 1 242.366 3.299 20 30 BGEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430230548 201156827 /nfs/dbraw/zinc/15/68/27/201156827.db2.gz WLZRATHYXAVRLP-ZDUSSCGKSA-N 1 1 242.366 3.299 20 30 BGEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430230548 201156823 /nfs/dbraw/zinc/15/68/23/201156823.db2.gz WLZRATHYXAVRLP-ZDUSSCGKSA-N 1 1 242.366 3.299 20 30 BGEDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000430265373 388726696 /nfs/dbraw/zinc/72/66/96/388726696.db2.gz VDZUWVWURHOIMT-LLVKDONJSA-N 1 1 244.313 3.095 20 30 BGEDMO CC1=C[C@H](C)C[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000430265374 388727498 /nfs/dbraw/zinc/72/74/98/388727498.db2.gz VDZUWVWURHOIMT-NSHDSACASA-N 1 1 244.313 3.095 20 30 BGEDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000430267913 388727316 /nfs/dbraw/zinc/72/73/16/388727316.db2.gz LJGTUMWGTKFLJZ-LLVKDONJSA-N 1 1 244.313 3.095 20 30 BGEDMO CC1=C[C@@H](C)C[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000430267913 388727312 /nfs/dbraw/zinc/72/73/12/388727312.db2.gz LJGTUMWGTKFLJZ-LLVKDONJSA-N 1 1 244.313 3.095 20 30 BGEDMO CC1=C[C@H](C)C[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000430267914 388727078 /nfs/dbraw/zinc/72/70/78/388727078.db2.gz LJGTUMWGTKFLJZ-NSHDSACASA-N 1 1 244.313 3.095 20 30 BGEDMO CC1=C[C@H](C)C[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000430267914 388727075 /nfs/dbraw/zinc/72/70/75/388727075.db2.gz LJGTUMWGTKFLJZ-NSHDSACASA-N 1 1 244.313 3.095 20 30 BGEDMO CC1=C[C@@H](C)C[N@@H+](CCCC(C)(C)C#N)C1 ZINC000430268485 387604065 /nfs/dbraw/zinc/60/40/65/387604065.db2.gz NKRKUPBUEDDNPQ-GFCCVEGCSA-N 1 1 220.360 3.214 20 30 BGEDMO CC1=C[C@H](C)C[N@@H+](CCCC(C)(C)C#N)C1 ZINC000430268487 387606244 /nfs/dbraw/zinc/60/62/44/387606244.db2.gz NKRKUPBUEDDNPQ-LBPRGKRZSA-N 1 1 220.360 3.214 20 30 BGEDMO CC1=C[C@@H](C)C[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000430270785 387606438 /nfs/dbraw/zinc/60/64/38/387606438.db2.gz VTCYZLUQKDIVJB-CYBMUJFWSA-N 1 1 243.325 3.075 20 30 BGEDMO CC1=C[C@H](C)C[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000430270786 387606108 /nfs/dbraw/zinc/60/61/08/387606108.db2.gz VTCYZLUQKDIVJB-ZDUSSCGKSA-N 1 1 243.325 3.075 20 30 BGEDMO CC1=C[C@@H](C)C[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000430275594 388726916 /nfs/dbraw/zinc/72/69/16/388726916.db2.gz AWBCVSAWEYILPN-LLVKDONJSA-N 1 1 244.313 3.095 20 30 BGEDMO CC1=C[C@H](C)C[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000430275596 388726637 /nfs/dbraw/zinc/72/66/37/388726637.db2.gz AWBCVSAWEYILPN-NSHDSACASA-N 1 1 244.313 3.095 20 30 BGEDMO CC1=C[C@@H](C)C[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000430282533 388727609 /nfs/dbraw/zinc/72/76/09/388727609.db2.gz FKIMCIVLGZLOBY-LLVKDONJSA-N 1 1 244.313 3.095 20 30 BGEDMO CC1=C[C@H](C)C[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000430282534 388727558 /nfs/dbraw/zinc/72/75/58/388727558.db2.gz FKIMCIVLGZLOBY-NSHDSACASA-N 1 1 244.313 3.095 20 30 BGEDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000430284179 398227027 /nfs/dbraw/zinc/22/70/27/398227027.db2.gz MPLCEVXZBVCDEX-CYBMUJFWSA-N 1 1 240.350 3.151 20 30 BGEDMO CC1=C[C@H](C)C[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000430284180 398226857 /nfs/dbraw/zinc/22/68/57/398226857.db2.gz MPLCEVXZBVCDEX-ZDUSSCGKSA-N 1 1 240.350 3.151 20 30 BGEDMO CC1=C[C@@H](C)C[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000430285726 385158288 /nfs/dbraw/zinc/15/82/88/385158288.db2.gz RNIBVOGHYJARJV-LLVKDONJSA-N 1 1 244.313 3.095 20 30 BGEDMO CC1=C[C@@H](C)C[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000430285726 385158283 /nfs/dbraw/zinc/15/82/83/385158283.db2.gz RNIBVOGHYJARJV-LLVKDONJSA-N 1 1 244.313 3.095 20 30 BGEDMO CC1=C[C@H](C)C[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000430285727 385157096 /nfs/dbraw/zinc/15/70/96/385157096.db2.gz RNIBVOGHYJARJV-NSHDSACASA-N 1 1 244.313 3.095 20 30 BGEDMO CC1=C[C@H](C)C[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000430285727 385157089 /nfs/dbraw/zinc/15/70/89/385157089.db2.gz RNIBVOGHYJARJV-NSHDSACASA-N 1 1 244.313 3.095 20 30 BGEDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000430286959 388727083 /nfs/dbraw/zinc/72/70/83/388727083.db2.gz CIUOBWHXBNVSCJ-LLVKDONJSA-N 1 1 244.313 3.095 20 30 BGEDMO CC1=C[C@H](C)C[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000430286960 388726764 /nfs/dbraw/zinc/72/67/64/388726764.db2.gz CIUOBWHXBNVSCJ-NSHDSACASA-N 1 1 244.313 3.095 20 30 BGEDMO Cc1cc(C[N@H+]2CC(C)=C[C@@H](C)C2)ccc1C#N ZINC000430290827 388727336 /nfs/dbraw/zinc/72/73/36/388727336.db2.gz SEMHBMFBBOPGEC-GFCCVEGCSA-N 1 1 240.350 3.265 20 30 BGEDMO Cc1cc(C[N@H+]2CC(C)=C[C@H](C)C2)ccc1C#N ZINC000430290829 388727329 /nfs/dbraw/zinc/72/73/29/388727329.db2.gz SEMHBMFBBOPGEC-LBPRGKRZSA-N 1 1 240.350 3.265 20 30 BGEDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000430291373 388727257 /nfs/dbraw/zinc/72/72/57/388727257.db2.gz URGNFIXDZKZAPN-LLVKDONJSA-N 1 1 244.313 3.095 20 30 BGEDMO CC1=C[C@H](C)C[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000430291375 388727009 /nfs/dbraw/zinc/72/70/09/388727009.db2.gz URGNFIXDZKZAPN-NSHDSACASA-N 1 1 244.313 3.095 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)CCSCc1ccccc1 ZINC000430722343 387644890 /nfs/dbraw/zinc/64/48/90/387644890.db2.gz FNAPYQCXOKBLLZ-CYBMUJFWSA-N 1 1 248.395 3.011 20 30 BGEDMO C[C@H](C#N)C[N@H+](C)CCSCc1ccccc1 ZINC000430722343 387644886 /nfs/dbraw/zinc/64/48/86/387644886.db2.gz FNAPYQCXOKBLLZ-CYBMUJFWSA-N 1 1 248.395 3.011 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)CCSCc1ccccc1 ZINC000430722344 387644514 /nfs/dbraw/zinc/64/45/14/387644514.db2.gz FNAPYQCXOKBLLZ-ZDUSSCGKSA-N 1 1 248.395 3.011 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)CCSCc1ccccc1 ZINC000430722344 387644512 /nfs/dbraw/zinc/64/45/12/387644512.db2.gz FNAPYQCXOKBLLZ-ZDUSSCGKSA-N 1 1 248.395 3.011 20 30 BGEDMO C=CCC[N@@H+](C)CCSCc1ccccc1 ZINC000430754491 398230067 /nfs/dbraw/zinc/23/00/67/398230067.db2.gz MZENVEGUFVNZSM-UHFFFAOYSA-N 1 1 235.396 3.428 20 30 BGEDMO C=C(C)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000430758796 398231001 /nfs/dbraw/zinc/23/10/01/398231001.db2.gz BZTAEQJVMCOLFO-UHFFFAOYSA-N 1 1 225.401 3.314 20 30 BGEDMO C=C(C)C[N@@H+](C)CCSCc1ccccc1 ZINC000430778700 387649789 /nfs/dbraw/zinc/64/97/89/387649789.db2.gz UWOGJNNOQWJIGC-UHFFFAOYSA-N 1 1 235.396 3.428 20 30 BGEDMO CC1=C[C@H](C)C[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000430863654 388730242 /nfs/dbraw/zinc/73/02/42/388730242.db2.gz IIFUQAZGKZSGAT-JTQLQIEISA-N 1 1 232.352 3.018 20 30 BGEDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000430863657 388729283 /nfs/dbraw/zinc/72/92/83/388729283.db2.gz IIFUQAZGKZSGAT-SNVBAGLBSA-N 1 1 232.352 3.018 20 30 BGEDMO CC1=C[C@@H](C)C[N@@H+](CC(C)(C)CCC#N)C1 ZINC000430869085 387657363 /nfs/dbraw/zinc/65/73/63/387657363.db2.gz PHIWQDIEFSMHAG-GFCCVEGCSA-N 1 1 220.360 3.214 20 30 BGEDMO CC1=C[C@H](C)C[N@@H+](CC(C)(C)CCC#N)C1 ZINC000430869086 387656010 /nfs/dbraw/zinc/65/60/10/387656010.db2.gz PHIWQDIEFSMHAG-LBPRGKRZSA-N 1 1 220.360 3.214 20 30 BGEDMO CC1=C[C@H](C)C[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000430874064 388729311 /nfs/dbraw/zinc/72/93/11/388729311.db2.gz BUXZJQAEAZETFC-JTQLQIEISA-N 1 1 232.352 3.018 20 30 BGEDMO CC1=C[C@@H](C)C[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000430874065 388730516 /nfs/dbraw/zinc/73/05/16/388730516.db2.gz BUXZJQAEAZETFC-SNVBAGLBSA-N 1 1 232.352 3.018 20 30 BGEDMO C[N@H+]1CCC[C@@H]1CCSc1ccc(C#N)cc1 ZINC000432230818 192937183 /nfs/dbraw/zinc/93/71/83/192937183.db2.gz DSRJJCICINFIJF-CYBMUJFWSA-N 1 1 246.379 3.135 20 30 BGEDMO C[N@H+]1CCC[C@H]1CCSc1ccc(C#N)cc1 ZINC000432230820 384535352 /nfs/dbraw/zinc/53/53/52/384535352.db2.gz DSRJJCICINFIJF-ZDUSSCGKSA-N 1 1 246.379 3.135 20 30 BGEDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000432787899 192957120 /nfs/dbraw/zinc/95/71/20/192957120.db2.gz IMHIQXBAQALQOY-CYBMUJFWSA-N 1 1 240.350 3.323 20 30 BGEDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000432787900 384883695 /nfs/dbraw/zinc/88/36/95/384883695.db2.gz IMHIQXBAQALQOY-ZDUSSCGKSA-N 1 1 240.350 3.323 20 30 BGEDMO C=CC[N@H+](C[C@H](O)C(C)C)CC1CCCCC1 ZINC000432822908 387827773 /nfs/dbraw/zinc/82/77/73/387827773.db2.gz OKXCTWOXHPIQCD-HNNXBMFYSA-N 1 1 239.403 3.072 20 30 BGEDMO C=CC[N@H+](C[C@@H](O)C(C)C)CC1CCCCC1 ZINC000432822909 387827492 /nfs/dbraw/zinc/82/74/92/387827492.db2.gz OKXCTWOXHPIQCD-OAHLLOKOSA-N 1 1 239.403 3.072 20 30 BGEDMO CC(C)(C)C[N@@H+](CCC#N)CC1(C)CCC1 ZINC000432823184 387827805 /nfs/dbraw/zinc/82/78/05/387827805.db2.gz OTGAKDWTMJTNAR-UHFFFAOYSA-N 1 1 222.376 3.438 20 30 BGEDMO C=CC[N@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000432923187 387842283 /nfs/dbraw/zinc/84/22/83/387842283.db2.gz DMKFBSYSSVBPOT-UHFFFAOYSA-N 1 1 236.315 3.053 20 30 BGEDMO C=CC[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000432923187 387842279 /nfs/dbraw/zinc/84/22/79/387842279.db2.gz DMKFBSYSSVBPOT-UHFFFAOYSA-N 1 1 236.315 3.053 20 30 BGEDMO C=CCCCCC[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000433016618 387851193 /nfs/dbraw/zinc/85/11/93/387851193.db2.gz SHWGZYJHKDUMDZ-AWEZNQCLSA-N 1 1 237.387 3.112 20 30 BGEDMO C=CCCCCC[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000433016619 387850827 /nfs/dbraw/zinc/85/08/27/387850827.db2.gz SHWGZYJHKDUMDZ-CQSZACIVSA-N 1 1 237.387 3.112 20 30 BGEDMO C=C(C)CSCC[N@H+](C)Cc1ccccc1 ZINC000433022236 398239743 /nfs/dbraw/zinc/23/97/43/398239743.db2.gz UIIKZLXFRIKGIV-UHFFFAOYSA-N 1 1 235.396 3.428 20 30 BGEDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1cc(C#N)cs1 ZINC000433023996 384924409 /nfs/dbraw/zinc/92/44/09/384924409.db2.gz AVZBIJQRUPYPDC-LLVKDONJSA-N 1 1 246.379 3.384 20 30 BGEDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1cc(C#N)cs1 ZINC000433023998 384925342 /nfs/dbraw/zinc/92/53/42/384925342.db2.gz AVZBIJQRUPYPDC-NSHDSACASA-N 1 1 246.379 3.384 20 30 BGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000433046868 384929514 /nfs/dbraw/zinc/92/95/14/384929514.db2.gz QUYNAMHCBICBAN-GHMZBOCLSA-N 1 1 234.368 3.240 20 30 BGEDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000433046869 384929230 /nfs/dbraw/zinc/92/92/30/384929230.db2.gz QUYNAMHCBICBAN-MNOVXSKESA-N 1 1 234.368 3.240 20 30 BGEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000433046870 384926804 /nfs/dbraw/zinc/92/68/04/384926804.db2.gz QUYNAMHCBICBAN-QWRGUYRKSA-N 1 1 234.368 3.240 20 30 BGEDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000433046871 384926722 /nfs/dbraw/zinc/92/67/22/384926722.db2.gz QUYNAMHCBICBAN-WDEREUQCSA-N 1 1 234.368 3.240 20 30 BGEDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000433051321 384929114 /nfs/dbraw/zinc/92/91/14/384929114.db2.gz HDKYNSVSHOMFES-CMPLNLGQSA-N 1 1 234.368 3.240 20 30 BGEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000433051322 384928597 /nfs/dbraw/zinc/92/85/97/384928597.db2.gz HDKYNSVSHOMFES-JQWIXIFHSA-N 1 1 234.368 3.240 20 30 BGEDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000433051323 384928122 /nfs/dbraw/zinc/92/81/22/384928122.db2.gz HDKYNSVSHOMFES-PWSUYJOCSA-N 1 1 234.368 3.240 20 30 BGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000433051324 384928415 /nfs/dbraw/zinc/92/84/15/384928415.db2.gz HDKYNSVSHOMFES-ZYHUDNBSSA-N 1 1 234.368 3.240 20 30 BGEDMO C=CCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433052062 387856893 /nfs/dbraw/zinc/85/68/93/387856893.db2.gz JXYDQKZBYRMFJK-HNNXBMFYSA-N 1 1 215.340 3.442 20 30 BGEDMO C=CCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433052064 387856988 /nfs/dbraw/zinc/85/69/88/387856988.db2.gz JXYDQKZBYRMFJK-OAHLLOKOSA-N 1 1 215.340 3.442 20 30 BGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C1 ZINC000433054019 387856433 /nfs/dbraw/zinc/85/64/33/387856433.db2.gz SYKGRCRXZKRIRR-CHWSQXEVSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H]1CC[C@H]([N@@H+](C)CC(C)(C)CCC#N)C1 ZINC000433054020 397916839 /nfs/dbraw/zinc/91/68/39/397916839.db2.gz SYKGRCRXZKRIRR-OLZOCXBDSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@H]1CC[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C1 ZINC000433054021 397916733 /nfs/dbraw/zinc/91/67/33/397916733.db2.gz SYKGRCRXZKRIRR-QWHCGFSZSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@H]1CC[C@H]([N@@H+](C)CC(C)(C)CCC#N)C1 ZINC000433054022 397916804 /nfs/dbraw/zinc/91/68/04/397916804.db2.gz SYKGRCRXZKRIRR-STQMWFEESA-N 1 1 222.376 3.437 20 30 BGEDMO CC#CC[N@@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000433057465 387858108 /nfs/dbraw/zinc/85/81/08/387858108.db2.gz LTDXEAAVRGGBFL-INIZCTEOSA-N 1 1 227.351 3.062 20 30 BGEDMO CC#CC[N@@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000433057466 387857917 /nfs/dbraw/zinc/85/79/17/387857917.db2.gz LTDXEAAVRGGBFL-MRXNPFEDSA-N 1 1 227.351 3.062 20 30 BGEDMO C=C(C)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433061759 387859581 /nfs/dbraw/zinc/85/95/81/387859581.db2.gz LWHXIQCOWNAWHR-HNNXBMFYSA-N 1 1 215.340 3.442 20 30 BGEDMO C=C(C)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433061760 387859291 /nfs/dbraw/zinc/85/92/91/387859291.db2.gz LWHXIQCOWNAWHR-OAHLLOKOSA-N 1 1 215.340 3.442 20 30 BGEDMO N#CCCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433067864 387861240 /nfs/dbraw/zinc/86/12/40/387861240.db2.gz PDZOIIUXPQIHJU-HNNXBMFYSA-N 1 1 228.339 3.170 20 30 BGEDMO N#CCCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433067867 387861557 /nfs/dbraw/zinc/86/15/57/387861557.db2.gz PDZOIIUXPQIHJU-OAHLLOKOSA-N 1 1 228.339 3.170 20 30 BGEDMO C=CC[N@@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000433070588 387861566 /nfs/dbraw/zinc/86/15/66/387861566.db2.gz VXTXJVRNSOPNLT-HNNXBMFYSA-N 1 1 215.340 3.224 20 30 BGEDMO C=CC[N@@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000433070589 387861845 /nfs/dbraw/zinc/86/18/45/387861845.db2.gz VXTXJVRNSOPNLT-OAHLLOKOSA-N 1 1 215.340 3.224 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433077996 387861365 /nfs/dbraw/zinc/86/13/65/387861365.db2.gz UIEUFZHIUZPRMP-INIZCTEOSA-N 1 1 227.351 3.279 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433077998 387861430 /nfs/dbraw/zinc/86/14/30/387861430.db2.gz UIEUFZHIUZPRMP-MRXNPFEDSA-N 1 1 227.351 3.279 20 30 BGEDMO CC#CCC[N@@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000433082674 387862662 /nfs/dbraw/zinc/86/26/62/387862662.db2.gz LOJYREXENFXEEN-KRWDZBQOSA-N 1 1 241.378 3.452 20 30 BGEDMO CC#CCC[N@@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000433082675 387862834 /nfs/dbraw/zinc/86/28/34/387862834.db2.gz LOJYREXENFXEEN-QGZVFWFLSA-N 1 1 241.378 3.452 20 30 BGEDMO CC(C)C1CCC([N@@H+](C)CC2(C#N)CC2)CC1 ZINC000433133144 387868855 /nfs/dbraw/zinc/86/88/55/387868855.db2.gz DBJQOSDIABZYGR-UHFFFAOYSA-N 1 1 234.387 3.437 20 30 BGEDMO CC(C)C1CCC([N@@H+](C)CCCC#N)CC1 ZINC000433149770 387871676 /nfs/dbraw/zinc/87/16/76/387871676.db2.gz UPVBDKBCBVUPEJ-UHFFFAOYSA-N 1 1 222.376 3.437 20 30 BGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)C(C)C ZINC000433185188 201166360 /nfs/dbraw/zinc/16/63/60/201166360.db2.gz BJXQMYRVEFTIFX-INIZCTEOSA-N 1 1 247.382 3.082 20 30 BGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)C(C)C ZINC000433185189 201165520 /nfs/dbraw/zinc/16/55/20/201165520.db2.gz BJXQMYRVEFTIFX-MRXNPFEDSA-N 1 1 247.382 3.082 20 30 BGEDMO C=CC[C@@H]1[N@@H+](C[C@H](O)C(C)C)CCCC1(C)C ZINC000433205958 201167471 /nfs/dbraw/zinc/16/74/71/201167471.db2.gz MPWWMSKMKLWOJG-KBPBESRZSA-N 1 1 239.403 3.070 20 30 BGEDMO C=CC[C@@H]1[N@@H+](C[C@@H](O)C(C)C)CCCC1(C)C ZINC000433205959 201168334 /nfs/dbraw/zinc/16/83/34/201168334.db2.gz MPWWMSKMKLWOJG-KGLIPLIRSA-N 1 1 239.403 3.070 20 30 BGEDMO C=CC[C@H]1[N@@H+](C[C@H](O)C(C)C)CCCC1(C)C ZINC000433205960 201167690 /nfs/dbraw/zinc/16/76/90/201167690.db2.gz MPWWMSKMKLWOJG-UONOGXRCSA-N 1 1 239.403 3.070 20 30 BGEDMO C=CC[C@H]1[N@@H+](C[C@@H](O)C(C)C)CCCC1(C)C ZINC000433205961 201169478 /nfs/dbraw/zinc/16/94/78/201169478.db2.gz MPWWMSKMKLWOJG-ZIAGYGMSSA-N 1 1 239.403 3.070 20 30 BGEDMO CC#CCC[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433262933 201174878 /nfs/dbraw/zinc/17/48/78/201174878.db2.gz SBKKJRBVUXSHOI-UHFFFAOYSA-N 1 1 239.721 3.324 20 30 BGEDMO C[C@H]1CC2(CCC2)C[N@H+]1CC#Cc1ccccc1 ZINC000433263300 201174887 /nfs/dbraw/zinc/17/48/87/201174887.db2.gz VFFLCPSSKLJVBT-HNNXBMFYSA-N 1 1 239.362 3.303 20 30 BGEDMO C[C@@H]1CC2(CCC2)C[N@H+]1CC#Cc1ccccc1 ZINC000433263301 201174853 /nfs/dbraw/zinc/17/48/53/201174853.db2.gz VFFLCPSSKLJVBT-OAHLLOKOSA-N 1 1 239.362 3.303 20 30 BGEDMO C[N@@H+](CCCc1ccsc1)CC(C)(C)C#N ZINC000433282161 201173235 /nfs/dbraw/zinc/17/32/35/201173235.db2.gz ADWDNLYOBTTZIL-UHFFFAOYSA-N 1 1 236.384 3.162 20 30 BGEDMO COc1cccc([C@@H](C)[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433282211 201174359 /nfs/dbraw/zinc/17/43/59/201174359.db2.gz AKSGEFBHPKXUEF-GFCCVEGCSA-N 1 1 246.354 3.238 20 30 BGEDMO COc1cccc([C@@H](C)[N@H+](C)CC(C)(C)C#N)c1 ZINC000433282211 201174355 /nfs/dbraw/zinc/17/43/55/201174355.db2.gz AKSGEFBHPKXUEF-GFCCVEGCSA-N 1 1 246.354 3.238 20 30 BGEDMO COc1cccc([C@H](C)[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433282213 201173165 /nfs/dbraw/zinc/17/31/65/201173165.db2.gz AKSGEFBHPKXUEF-LBPRGKRZSA-N 1 1 246.354 3.238 20 30 BGEDMO COc1cccc([C@H](C)[N@H+](C)CC(C)(C)C#N)c1 ZINC000433282213 201173163 /nfs/dbraw/zinc/17/31/63/201173163.db2.gz AKSGEFBHPKXUEF-LBPRGKRZSA-N 1 1 246.354 3.238 20 30 BGEDMO C=CC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433282225 201173067 /nfs/dbraw/zinc/17/30/67/201173067.db2.gz ALJHUPCARPODAY-GFCCVEGCSA-N 1 1 221.731 3.315 20 30 BGEDMO C=CC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433282228 201173390 /nfs/dbraw/zinc/17/33/90/201173390.db2.gz ALJHUPCARPODAY-LBPRGKRZSA-N 1 1 221.731 3.315 20 30 BGEDMO Cc1ccccc1CCC[N@H+](C)CC(C)(C)C#N ZINC000433285334 201176032 /nfs/dbraw/zinc/17/60/32/201176032.db2.gz HUYKCTQWOIRGER-UHFFFAOYSA-N 1 1 244.382 3.409 20 30 BGEDMO N#CCCC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433290099 201177129 /nfs/dbraw/zinc/17/71/29/201177129.db2.gz RRGGFXVNISHZQG-CYBMUJFWSA-N 1 1 248.757 3.433 20 30 BGEDMO N#CCCC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433290100 201175634 /nfs/dbraw/zinc/17/56/34/201175634.db2.gz RRGGFXVNISHZQG-ZDUSSCGKSA-N 1 1 248.757 3.433 20 30 BGEDMO C[C@H](c1cccc(F)c1)[N@@H+](C)CC(C)(C)C#N ZINC000433292140 201176227 /nfs/dbraw/zinc/17/62/27/201176227.db2.gz YUCKEBMTBNGPGZ-LLVKDONJSA-N 1 1 234.318 3.368 20 30 BGEDMO C[C@H](c1cccc(F)c1)[N@H+](C)CC(C)(C)C#N ZINC000433292140 201176224 /nfs/dbraw/zinc/17/62/24/201176224.db2.gz YUCKEBMTBNGPGZ-LLVKDONJSA-N 1 1 234.318 3.368 20 30 BGEDMO C[C@@H](c1cccc(F)c1)[N@@H+](C)CC(C)(C)C#N ZINC000433292147 201174814 /nfs/dbraw/zinc/17/48/14/201174814.db2.gz YUCKEBMTBNGPGZ-NSHDSACASA-N 1 1 234.318 3.368 20 30 BGEDMO C[C@@H](c1cccc(F)c1)[N@H+](C)CC(C)(C)C#N ZINC000433292147 201174812 /nfs/dbraw/zinc/17/48/12/201174812.db2.gz YUCKEBMTBNGPGZ-NSHDSACASA-N 1 1 234.318 3.368 20 30 BGEDMO C[N@@H+](C[C@@H]1CCCC(F)(F)C1)CC(C)(C)C#N ZINC000433293350 201177257 /nfs/dbraw/zinc/17/72/57/201177257.db2.gz DQMQZUOITNWBIK-LLVKDONJSA-N 1 1 244.329 3.293 20 30 BGEDMO C[N@@H+](C[C@H]1CCCC(F)(F)C1)CC(C)(C)C#N ZINC000433293351 201175827 /nfs/dbraw/zinc/17/58/27/201175827.db2.gz DQMQZUOITNWBIK-NSHDSACASA-N 1 1 244.329 3.293 20 30 BGEDMO CCC(C)(C)CC[N@@H+](C)CC(C)(C)C#N ZINC000433295075 201176151 /nfs/dbraw/zinc/17/61/51/201176151.db2.gz CBIUXYSPORJYPV-UHFFFAOYSA-N 1 1 210.365 3.294 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(C)(C)C#N ZINC000433295162 387436906 /nfs/dbraw/zinc/43/69/06/387436906.db2.gz CGOSPBAKSXPUAN-GFCCVEGCSA-N 1 1 241.338 3.101 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(C)(C)C#N ZINC000433295162 387436898 /nfs/dbraw/zinc/43/68/98/387436898.db2.gz CGOSPBAKSXPUAN-GFCCVEGCSA-N 1 1 241.338 3.101 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(C)(C)C#N ZINC000433295163 387438227 /nfs/dbraw/zinc/43/82/27/387438227.db2.gz CGOSPBAKSXPUAN-LBPRGKRZSA-N 1 1 241.338 3.101 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(C)(C)C#N ZINC000433295163 387438222 /nfs/dbraw/zinc/43/82/22/387438222.db2.gz CGOSPBAKSXPUAN-LBPRGKRZSA-N 1 1 241.338 3.101 20 30 BGEDMO C[N@@H+](CCCCC(C)(C)C#N)CC(C)(C)C#N ZINC000433297958 201176312 /nfs/dbraw/zinc/17/63/12/201176312.db2.gz MSFZGPIFWBUVSF-UHFFFAOYSA-N 1 1 235.375 3.188 20 30 BGEDMO CCc1cccc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433298106 387447127 /nfs/dbraw/zinc/44/71/27/387447127.db2.gz YIBAXPSITJUYIS-UHFFFAOYSA-N 1 1 230.355 3.231 20 30 BGEDMO CCc1cccc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000433298106 387447119 /nfs/dbraw/zinc/44/71/19/387447119.db2.gz YIBAXPSITJUYIS-UHFFFAOYSA-N 1 1 230.355 3.231 20 30 BGEDMO CCc1ccccc1C[N@@H+](C)CC(C)(C)C#N ZINC000433299932 201177245 /nfs/dbraw/zinc/17/72/45/201177245.db2.gz SAPCEORUPSNTAS-UHFFFAOYSA-N 1 1 230.355 3.231 20 30 BGEDMO CCc1ccccc1C[N@H+](C)CC(C)(C)C#N ZINC000433299932 201177242 /nfs/dbraw/zinc/17/72/42/201177242.db2.gz SAPCEORUPSNTAS-UHFFFAOYSA-N 1 1 230.355 3.231 20 30 BGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433301029 201175413 /nfs/dbraw/zinc/17/54/13/201175413.db2.gz UWKMQNPJVMEPPT-GFCCVEGCSA-N 1 1 241.338 3.101 20 30 BGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433301029 201175410 /nfs/dbraw/zinc/17/54/10/201175410.db2.gz UWKMQNPJVMEPPT-GFCCVEGCSA-N 1 1 241.338 3.101 20 30 BGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433301031 201177039 /nfs/dbraw/zinc/17/70/39/201177039.db2.gz UWKMQNPJVMEPPT-LBPRGKRZSA-N 1 1 241.338 3.101 20 30 BGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433301031 201177037 /nfs/dbraw/zinc/17/70/37/201177037.db2.gz UWKMQNPJVMEPPT-LBPRGKRZSA-N 1 1 241.338 3.101 20 30 BGEDMO C[C@@H](CCc1ccccc1)[N@@H+](C)CC(C)(C)C#N ZINC000433301237 201178535 /nfs/dbraw/zinc/17/85/35/201178535.db2.gz GUFFGAIDGLJYNI-AWEZNQCLSA-N 1 1 244.382 3.489 20 30 BGEDMO C[C@H](CCc1ccccc1)[N@@H+](C)CC(C)(C)C#N ZINC000433301239 201179673 /nfs/dbraw/zinc/17/96/73/201179673.db2.gz GUFFGAIDGLJYNI-CQSZACIVSA-N 1 1 244.382 3.489 20 30 BGEDMO C[N@@H+](CCCc1cccc(F)c1)CC(C)(C)C#N ZINC000433301940 201179305 /nfs/dbraw/zinc/17/93/05/201179305.db2.gz HLOYUOPOLQBASP-UHFFFAOYSA-N 1 1 248.345 3.240 20 30 BGEDMO Cc1cccc(CCC[N@H+](C)CC(C)(C)C#N)c1 ZINC000433307840 201180425 /nfs/dbraw/zinc/18/04/25/201180425.db2.gz WBXFOXALDZUYCS-UHFFFAOYSA-N 1 1 244.382 3.409 20 30 BGEDMO CC(C)CSCCC[N@@H+](C)CC(C)(C)C#N ZINC000433309090 201179730 /nfs/dbraw/zinc/17/97/30/201179730.db2.gz ZXUSGMBLTAZVRF-UHFFFAOYSA-N 1 1 242.432 3.247 20 30 BGEDMO C[N@@H+](CCCC(C)(C)C)CC(C)(C)C#N ZINC000433309385 201179268 /nfs/dbraw/zinc/17/92/68/201179268.db2.gz ZCLDKANDGHCRGX-UHFFFAOYSA-N 1 1 210.365 3.294 20 30 BGEDMO Cc1ccc(CCC[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433310273 201179932 /nfs/dbraw/zinc/17/99/32/201179932.db2.gz BAMQADIAUCUEOV-UHFFFAOYSA-N 1 1 244.382 3.409 20 30 BGEDMO C[N@@H+](CCCc1ccccc1)CC(C)(C)C#N ZINC000433310994 201179554 /nfs/dbraw/zinc/17/95/54/201179554.db2.gz KHPKIPBFWSHYDK-UHFFFAOYSA-N 1 1 230.355 3.101 20 30 BGEDMO CC#CC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433313256 201178695 /nfs/dbraw/zinc/17/86/95/201178695.db2.gz PPBUUTZZKWWYHE-CYBMUJFWSA-N 1 1 233.742 3.153 20 30 BGEDMO CC#CC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433313260 201177912 /nfs/dbraw/zinc/17/79/12/201177912.db2.gz PPBUUTZZKWWYHE-ZDUSSCGKSA-N 1 1 233.742 3.153 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433316741 201178154 /nfs/dbraw/zinc/17/81/54/201178154.db2.gz BHVQLRISDGQPCU-GFCCVEGCSA-N 1 1 208.349 3.213 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433316745 201179718 /nfs/dbraw/zinc/17/97/18/201179718.db2.gz BHVQLRISDGQPCU-LBPRGKRZSA-N 1 1 208.349 3.213 20 30 BGEDMO C=CCCCCC[N@H+](C)CC(C)(C)C#N ZINC000433317548 201182027 /nfs/dbraw/zinc/18/20/27/201182027.db2.gz DHNGWBFPDFEGOI-UHFFFAOYSA-N 1 1 208.349 3.214 20 30 BGEDMO C[N@@H+](CCCC1CCCC1)CC(C)(C)C#N ZINC000433317771 201181838 /nfs/dbraw/zinc/18/18/38/201181838.db2.gz MHEXDBCKTFIXHE-UHFFFAOYSA-N 1 1 222.376 3.438 20 30 BGEDMO C[N@@H+](CCCCOC(C)(C)C)CC(C)(C)C#N ZINC000433319464 201181728 /nfs/dbraw/zinc/18/17/28/201181728.db2.gz OMUVGWNMNODFQT-UHFFFAOYSA-N 1 1 240.391 3.063 20 30 BGEDMO C[N@@H+](CCCCC(F)(F)F)CC(C)(C)C#N ZINC000433319721 201180700 /nfs/dbraw/zinc/18/07/00/201180700.db2.gz RSFDSWIUMOEGNH-UHFFFAOYSA-N 1 1 236.281 3.201 20 30 BGEDMO C[N@@H+](CCSc1ccccc1)CC(C)(C)C#N ZINC000433320187 201181308 /nfs/dbraw/zinc/18/13/08/201181308.db2.gz TWCUYKGTMSVANN-UHFFFAOYSA-N 1 1 248.395 3.260 20 30 BGEDMO C[N@H+](CCSc1ccccc1)CC(C)(C)C#N ZINC000433320187 201181307 /nfs/dbraw/zinc/18/13/07/201181307.db2.gz TWCUYKGTMSVANN-UHFFFAOYSA-N 1 1 248.395 3.260 20 30 BGEDMO CCc1ccccc1CC[N@@H+](C)CC(C)(C)C#N ZINC000433321155 201181805 /nfs/dbraw/zinc/18/18/05/201181805.db2.gz NELKBTOBGMJFFZ-UHFFFAOYSA-N 1 1 244.382 3.273 20 30 BGEDMO CC#CC[N@@H+](C)[C@H](c1ccc(F)cc1)C(C)C ZINC000434618710 201230126 /nfs/dbraw/zinc/23/01/26/201230126.db2.gz AKPVQFDOJCICMS-HNNXBMFYSA-N 1 1 233.330 3.478 20 30 BGEDMO CC#CC[N@@H+](C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000434618712 201229336 /nfs/dbraw/zinc/22/93/36/201229336.db2.gz AKPVQFDOJCICMS-OAHLLOKOSA-N 1 1 233.330 3.478 20 30 BGEDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCC#N ZINC000434620985 201229689 /nfs/dbraw/zinc/22/96/89/201229689.db2.gz NUWMDYZHXNFVBQ-AWEZNQCLSA-N 1 1 234.318 3.368 20 30 BGEDMO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CCC#N ZINC000434620985 201229686 /nfs/dbraw/zinc/22/96/86/201229686.db2.gz NUWMDYZHXNFVBQ-AWEZNQCLSA-N 1 1 234.318 3.368 20 30 BGEDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CCC#N ZINC000434620986 201229600 /nfs/dbraw/zinc/22/96/00/201229600.db2.gz NUWMDYZHXNFVBQ-CQSZACIVSA-N 1 1 234.318 3.368 20 30 BGEDMO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CCC#N ZINC000434620986 201229598 /nfs/dbraw/zinc/22/95/98/201229598.db2.gz NUWMDYZHXNFVBQ-CQSZACIVSA-N 1 1 234.318 3.368 20 30 BGEDMO C=CCCC[N@H+]1CCSC(C)(C)CC1 ZINC000434668696 201232305 /nfs/dbraw/zinc/23/23/05/201232305.db2.gz CCALVXDMMREPAR-UHFFFAOYSA-N 1 1 213.390 3.170 20 30 BGEDMO C=C(CC)C[N@H+]1CCSC(C)(C)CC1 ZINC000434711442 201235405 /nfs/dbraw/zinc/23/54/05/201235405.db2.gz OTUOJTJCIJDVJC-UHFFFAOYSA-N 1 1 213.390 3.170 20 30 BGEDMO C=CC[N@@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434735576 201235624 /nfs/dbraw/zinc/23/56/24/201235624.db2.gz CQAGEQCEGHAYCS-HNNXBMFYSA-N 1 1 215.340 3.144 20 30 BGEDMO C=CC[N@@H+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434735577 201237285 /nfs/dbraw/zinc/23/72/85/201237285.db2.gz CQAGEQCEGHAYCS-OAHLLOKOSA-N 1 1 215.340 3.144 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434834224 201243939 /nfs/dbraw/zinc/24/39/39/201243939.db2.gz OPFXDNBSLTZXBU-UHFFFAOYSA-N 1 1 245.326 3.068 20 30 BGEDMO C=CC[N@H+](C)[C@@H]1C[C@@H](OCC)C1(CC)CC ZINC000434977339 201246192 /nfs/dbraw/zinc/24/61/92/201246192.db2.gz PZDVKVPEGOSNQM-CHWSQXEVSA-N 1 1 225.376 3.088 20 30 BGEDMO C=CC[N@H+](C)[C@@H]1C[C@H](OCC)C1(CC)CC ZINC000434977341 201245470 /nfs/dbraw/zinc/24/54/70/201245470.db2.gz PZDVKVPEGOSNQM-OLZOCXBDSA-N 1 1 225.376 3.088 20 30 BGEDMO C=CC[N@H+](C)[C@H]1C[C@@H](OCC)C1(CC)CC ZINC000434977342 201245514 /nfs/dbraw/zinc/24/55/14/201245514.db2.gz PZDVKVPEGOSNQM-QWHCGFSZSA-N 1 1 225.376 3.088 20 30 BGEDMO C=CC[N@H+](C)[C@H]1C[C@H](OCC)C1(CC)CC ZINC000434977343 201245877 /nfs/dbraw/zinc/24/58/77/201245877.db2.gz PZDVKVPEGOSNQM-STQMWFEESA-N 1 1 225.376 3.088 20 30 BGEDMO C=CCOc1ccccc1C[N@H+](CC)CCC ZINC000434985473 201248299 /nfs/dbraw/zinc/24/82/99/201248299.db2.gz IXYNZNHGDJIIKE-UHFFFAOYSA-N 1 1 233.355 3.483 20 30 BGEDMO C=CCOc1cccc(C[N@H+](CC)CCC)c1 ZINC000434986362 201248760 /nfs/dbraw/zinc/24/87/60/201248760.db2.gz GUYPGQCAIRGYOB-UHFFFAOYSA-N 1 1 233.355 3.483 20 30 BGEDMO C=CCOc1ccc(C[N@H+](CC)CCC)cc1 ZINC000434993632 201248649 /nfs/dbraw/zinc/24/86/49/201248649.db2.gz ZVIIUOQDHKOOKZ-UHFFFAOYSA-N 1 1 233.355 3.483 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435129577 201252205 /nfs/dbraw/zinc/25/22/05/201252205.db2.gz KSSBDGLBPCVLPM-UHFFFAOYSA-N 1 1 245.326 3.068 20 30 BGEDMO C=CCOc1ccccc1C[N@@H+](C)CC1CCC1 ZINC000435769141 201288176 /nfs/dbraw/zinc/28/81/76/201288176.db2.gz IIJGVOFLCRIBSJ-UHFFFAOYSA-N 1 1 245.366 3.483 20 30 BGEDMO C=CCOc1cccc(C[N@@H+](C)CC2CCC2)c1 ZINC000435770855 201288166 /nfs/dbraw/zinc/28/81/66/201288166.db2.gz RGKTXXAFCOJVHK-UHFFFAOYSA-N 1 1 245.366 3.483 20 30 BGEDMO C=CCOc1ccc(C[N@@H+](C)CC2CCC2)cc1 ZINC000435772327 201287793 /nfs/dbraw/zinc/28/77/93/201287793.db2.gz PDBPWRBMOUSRSE-UHFFFAOYSA-N 1 1 245.366 3.483 20 30 BGEDMO C[C@H](Cc1[nH]cc[nH+]1)OCCCCC(C)(C)C#N ZINC000436209794 201314609 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/nfs/dbraw/zinc/31/60/22/201316022.db2.gz VROISWCDENZKJD-UHFFFAOYSA-N 1 1 245.753 3.344 20 30 BGEDMO C=CCOc1ccc(C[N@@H+]2CCC=C(C)C2)cc1 ZINC000437344452 201351952 /nfs/dbraw/zinc/35/19/52/201351952.db2.gz GNRUICZPLHQIAG-UHFFFAOYSA-N 1 1 243.350 3.403 20 30 BGEDMO C=CCOc1ccccc1C[N@@H+]1CCC=C(C)C1 ZINC000437350880 201351631 /nfs/dbraw/zinc/35/16/31/201351631.db2.gz DPHNMUDCRRPCHA-UHFFFAOYSA-N 1 1 243.350 3.403 20 30 BGEDMO C=CCOc1cccc(C[N@@H+]2CCC=C(C)C2)c1 ZINC000437350883 201352104 /nfs/dbraw/zinc/35/21/04/201352104.db2.gz DPMSKCPKOVEBIH-UHFFFAOYSA-N 1 1 243.350 3.403 20 30 BGEDMO C=CCCC[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000437531694 201354514 /nfs/dbraw/zinc/35/45/14/201354514.db2.gz BAKSUAQJGROODA-CHWSQXEVSA-N 1 1 225.401 3.313 20 30 BGEDMO C=CCCC[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000437531695 201354981 /nfs/dbraw/zinc/35/49/81/201354981.db2.gz BAKSUAQJGROODA-OLZOCXBDSA-N 1 1 225.401 3.313 20 30 BGEDMO C=CCCC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000437531696 201356057 /nfs/dbraw/zinc/35/60/57/201356057.db2.gz BAKSUAQJGROODA-QWHCGFSZSA-N 1 1 225.401 3.313 20 30 BGEDMO C=CCCC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000437531697 201355465 /nfs/dbraw/zinc/35/54/65/201355465.db2.gz BAKSUAQJGROODA-STQMWFEESA-N 1 1 225.401 3.313 20 30 BGEDMO C[C@H]1CC[C@H](C)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000437570180 201357324 /nfs/dbraw/zinc/35/73/24/201357324.db2.gz PSSYYHJYFISMJN-KBPBESRZSA-N 1 1 245.341 3.298 20 30 BGEDMO C[C@@H]1CC[C@H](C)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000437570183 201358645 /nfs/dbraw/zinc/35/86/45/201358645.db2.gz PSSYYHJYFISMJN-KGLIPLIRSA-N 1 1 245.341 3.298 20 30 BGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000437570185 201357962 /nfs/dbraw/zinc/35/79/62/201357962.db2.gz PSSYYHJYFISMJN-UONOGXRCSA-N 1 1 245.341 3.298 20 30 BGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000437570187 201358069 /nfs/dbraw/zinc/35/80/69/201358069.db2.gz PSSYYHJYFISMJN-ZIAGYGMSSA-N 1 1 245.341 3.298 20 30 BGEDMO CC[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000437573762 201357230 /nfs/dbraw/zinc/35/72/30/201357230.db2.gz DAAZBWAOHKJACK-AWEZNQCLSA-N 1 1 245.341 3.299 20 30 BGEDMO CC[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000437573763 201357424 /nfs/dbraw/zinc/35/74/24/201357424.db2.gz DAAZBWAOHKJACK-CQSZACIVSA-N 1 1 245.341 3.299 20 30 BGEDMO CC1(C)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000437576279 201357410 /nfs/dbraw/zinc/35/74/10/201357410.db2.gz FPYJILNNILGFMW-UHFFFAOYSA-N 1 1 247.769 3.423 20 30 BGEDMO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000437577910 201357576 /nfs/dbraw/zinc/35/75/76/201357576.db2.gz KXFCXBWRVUFDGS-BETUJISGSA-N 1 1 247.769 3.279 20 30 BGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000437578128 201356818 /nfs/dbraw/zinc/35/68/18/201356818.db2.gz GCAGXARUCJWZKN-OKILXGFUSA-N 1 1 245.341 3.440 20 30 BGEDMO C[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC000437581287 201358119 /nfs/dbraw/zinc/35/81/19/201358119.db2.gz WBXGFINNIDBYRY-CHWSQXEVSA-N 1 1 247.769 3.422 20 30 BGEDMO 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N#Cc1ccc(C[N@H+]2CCC23CCC3)c(Cl)c1 ZINC000439456913 387055307 /nfs/dbraw/zinc/05/53/07/387055307.db2.gz AIJHMUVUYDUPMM-UHFFFAOYSA-N 1 1 246.741 3.340 20 30 BGEDMO N#Cc1ccc(C[N@@H+]2CCC23CCC3)c(Cl)c1 ZINC000439456913 387055304 /nfs/dbraw/zinc/05/53/04/387055304.db2.gz AIJHMUVUYDUPMM-UHFFFAOYSA-N 1 1 246.741 3.340 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439462244 388000830 /nfs/dbraw/zinc/00/08/30/388000830.db2.gz ONBLDPPHCBYHDL-UHFFFAOYSA-N 1 1 234.730 3.220 20 30 BGEDMO C=C(C)C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439462244 388000829 /nfs/dbraw/zinc/00/08/29/388000829.db2.gz ONBLDPPHCBYHDL-UHFFFAOYSA-N 1 1 234.730 3.220 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+](C)CCCSC ZINC000439467885 388000190 /nfs/dbraw/zinc/00/01/90/388000190.db2.gz KNDJNSRBOXPBFI-GFCCVEGCSA-N 1 1 215.406 3.416 20 30 BGEDMO C=CCCC[C@H](C)[N@H+](C)CCCSC ZINC000439467886 387999857 /nfs/dbraw/zinc/99/98/57/387999857.db2.gz KNDJNSRBOXPBFI-LBPRGKRZSA-N 1 1 215.406 3.416 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+]1CCCO[C@@H](CC)C1 ZINC000439473962 388002019 /nfs/dbraw/zinc/00/20/19/388002019.db2.gz MIXDIEOGEHCQDJ-KBPBESRZSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+]1CCCO[C@@H](CC)C1 ZINC000439473963 388002200 /nfs/dbraw/zinc/00/22/00/388002200.db2.gz MIXDIEOGEHCQDJ-KGLIPLIRSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+]1CCCO[C@H](CC)C1 ZINC000439473964 388000823 /nfs/dbraw/zinc/00/08/23/388000823.db2.gz MIXDIEOGEHCQDJ-UONOGXRCSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+]1CCCO[C@H](CC)C1 ZINC000439473965 388002478 /nfs/dbraw/zinc/00/24/78/388002478.db2.gz MIXDIEOGEHCQDJ-ZIAGYGMSSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCCCC[N@H+]1CCCO[C@@H](CC)C1 ZINC000439482401 388002602 /nfs/dbraw/zinc/00/26/02/388002602.db2.gz UWMTZBRCFHEYJZ-AWEZNQCLSA-N 1 1 225.376 3.234 20 30 BGEDMO C=CCCCCC[N@H+]1CCCO[C@H](CC)C1 ZINC000439482402 201449980 /nfs/dbraw/zinc/44/99/80/201449980.db2.gz UWMTZBRCFHEYJZ-CQSZACIVSA-N 1 1 225.376 3.234 20 30 BGEDMO C=C(CC)C[N@@H+](C)CCCOCc1ccccc1 ZINC000439487499 388004992 /nfs/dbraw/zinc/00/49/92/388004992.db2.gz RUBLMWWSAPFEGV-UHFFFAOYSA-N 1 1 247.382 3.491 20 30 BGEDMO CC[C@H](F)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000440488404 206080056 /nfs/dbraw/zinc/08/00/56/206080056.db2.gz BQIKXDMITXORBP-AWEZNQCLSA-N 1 1 246.329 3.271 20 30 BGEDMO CC[C@@H](F)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000440488406 206080553 /nfs/dbraw/zinc/08/05/53/206080553.db2.gz BQIKXDMITXORBP-CQSZACIVSA-N 1 1 246.329 3.271 20 30 BGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](F)CC ZINC000440494364 397928531 /nfs/dbraw/zinc/92/85/31/397928531.db2.gz LRGFZKFOHDTFCO-GFCCVEGCSA-N 1 1 225.307 3.058 20 30 BGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](F)CC ZINC000440494366 397928796 /nfs/dbraw/zinc/92/87/96/397928796.db2.gz LRGFZKFOHDTFCO-LBPRGKRZSA-N 1 1 225.307 3.058 20 30 BGEDMO C=C(C)C[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440544185 388054587 /nfs/dbraw/zinc/05/45/87/388054587.db2.gz ABECXGYLBPTVSZ-YCPHGPKFSA-N 1 1 249.398 3.232 20 30 BGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](F)CC ZINC000440704276 388070307 /nfs/dbraw/zinc/07/03/07/388070307.db2.gz LLXIGNFPRCCAAH-HNNXBMFYSA-N 1 1 246.329 3.294 20 30 BGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](F)CC ZINC000440704276 388070304 /nfs/dbraw/zinc/07/03/04/388070304.db2.gz LLXIGNFPRCCAAH-HNNXBMFYSA-N 1 1 246.329 3.294 20 30 BGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](F)CC ZINC000440704278 388065100 /nfs/dbraw/zinc/06/51/00/388065100.db2.gz LLXIGNFPRCCAAH-OAHLLOKOSA-N 1 1 246.329 3.294 20 30 BGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](F)CC ZINC000440704278 388065097 /nfs/dbraw/zinc/06/50/97/388065097.db2.gz LLXIGNFPRCCAAH-OAHLLOKOSA-N 1 1 246.329 3.294 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](F)CC ZINC000440706305 387673644 /nfs/dbraw/zinc/67/36/44/387673644.db2.gz SBKVJKUHFIRVAQ-AWEZNQCLSA-N 1 1 221.319 3.423 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](F)CC ZINC000440706307 388064573 /nfs/dbraw/zinc/06/45/73/388064573.db2.gz SBKVJKUHFIRVAQ-CQSZACIVSA-N 1 1 221.319 3.423 20 30 BGEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](F)CC ZINC000440710470 387677523 /nfs/dbraw/zinc/67/75/23/387677523.db2.gz BYUHXRRLAYJRRT-LLVKDONJSA-N 1 1 227.348 3.484 20 30 BGEDMO C=CC[N@H+](Cc1cccs1)C[C@H](F)CC ZINC000440710470 387677519 /nfs/dbraw/zinc/67/75/19/387677519.db2.gz BYUHXRRLAYJRRT-LLVKDONJSA-N 1 1 227.348 3.484 20 30 BGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](F)CC ZINC000440710471 387677420 /nfs/dbraw/zinc/67/74/20/387677420.db2.gz BYUHXRRLAYJRRT-NSHDSACASA-N 1 1 227.348 3.484 20 30 BGEDMO C=CC[N@H+](Cc1cccs1)C[C@@H](F)CC ZINC000440710471 387677415 /nfs/dbraw/zinc/67/74/15/387677415.db2.gz BYUHXRRLAYJRRT-NSHDSACASA-N 1 1 227.348 3.484 20 30 BGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H](F)CC ZINC000440713202 387681113 /nfs/dbraw/zinc/68/11/13/387681113.db2.gz NYHONVKNSLFNFR-HNNXBMFYSA-N 1 1 235.346 3.465 20 30 BGEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](F)CC ZINC000440713205 387682306 /nfs/dbraw/zinc/68/23/06/387682306.db2.gz NYHONVKNSLFNFR-OAHLLOKOSA-N 1 1 235.346 3.465 20 30 BGEDMO C=CCCCCC[N@H+](C)C[C@H](F)CC ZINC000440772171 387690555 /nfs/dbraw/zinc/69/05/55/387690555.db2.gz PWQBJIKLLMIYLJ-GFCCVEGCSA-N 1 1 201.329 3.413 20 30 BGEDMO C=CCCCCC[N@H+](C)C[C@@H](F)CC ZINC000440772172 387689602 /nfs/dbraw/zinc/68/96/02/387689602.db2.gz PWQBJIKLLMIYLJ-LBPRGKRZSA-N 1 1 201.329 3.413 20 30 BGEDMO CCC(CC)C[N@H+](CCC#N)C[C@H](F)CC ZINC000440774618 387693867 /nfs/dbraw/zinc/69/38/67/387693867.db2.gz JUXLBCQQJXZAML-CYBMUJFWSA-N 1 1 228.355 3.386 20 30 BGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](F)CC ZINC000440774618 387693865 /nfs/dbraw/zinc/69/38/65/387693865.db2.gz JUXLBCQQJXZAML-CYBMUJFWSA-N 1 1 228.355 3.386 20 30 BGEDMO CCC(CC)C[N@H+](CCC#N)C[C@@H](F)CC ZINC000440774619 387692703 /nfs/dbraw/zinc/69/27/03/387692703.db2.gz JUXLBCQQJXZAML-ZDUSSCGKSA-N 1 1 228.355 3.386 20 30 BGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](F)CC ZINC000440774619 387692691 /nfs/dbraw/zinc/69/26/91/387692691.db2.gz JUXLBCQQJXZAML-ZDUSSCGKSA-N 1 1 228.355 3.386 20 30 BGEDMO C=CCCC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441030465 387722794 /nfs/dbraw/zinc/72/27/94/387722794.db2.gz ODCLYCNLMYRYTF-UHFFFAOYSA-N 1 1 219.303 3.150 20 30 BGEDMO C=CCCC[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441049446 387724722 /nfs/dbraw/zinc/72/47/22/387724722.db2.gz LSRCGBUVDOTHQX-BBRMVZONSA-N 1 1 245.366 3.277 20 30 BGEDMO C=CCCC[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441049448 206079542 /nfs/dbraw/zinc/07/95/42/206079542.db2.gz LSRCGBUVDOTHQX-CJNGLKHVSA-N 1 1 245.366 3.277 20 30 BGEDMO C=CCCC[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441049450 387725569 /nfs/dbraw/zinc/72/55/69/387725569.db2.gz LSRCGBUVDOTHQX-CZUORRHYSA-N 1 1 245.366 3.277 20 30 BGEDMO C=CCCC[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000441049451 387725589 /nfs/dbraw/zinc/72/55/89/387725589.db2.gz LSRCGBUVDOTHQX-XJKSGUPXSA-N 1 1 245.366 3.277 20 30 BGEDMO C=C(C)C[N@H+]1CCc2cc(OCCC)ccc2C1 ZINC000441061030 387725472 /nfs/dbraw/zinc/72/54/72/387725472.db2.gz FMMRVYHRDNDWKA-UHFFFAOYSA-N 1 1 245.366 3.410 20 30 BGEDMO C=CCCC[N@H+]1CCc2cc(OCC)ccc2C1 ZINC000441068353 387724331 /nfs/dbraw/zinc/72/43/31/387724331.db2.gz RNDWUYOENJHWKB-UHFFFAOYSA-N 1 1 245.366 3.410 20 30 BGEDMO C=CC[N@H+]1CCc2cc(OCCC)ccc2C1 ZINC000441075515 387726871 /nfs/dbraw/zinc/72/68/71/387726871.db2.gz WAWUMKXTCQKHIG-UHFFFAOYSA-N 1 1 231.339 3.020 20 30 BGEDMO C=CC[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000441077188 387729057 /nfs/dbraw/zinc/72/90/57/387729057.db2.gz ZDXQVPSURKLQSQ-AWEZNQCLSA-N 1 1 215.340 3.298 20 30 BGEDMO C=CC[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000441077189 387728991 /nfs/dbraw/zinc/72/89/91/387728991.db2.gz ZDXQVPSURKLQSQ-CQSZACIVSA-N 1 1 215.340 3.298 20 30 BGEDMO C=C(C)C[N@H+]1CCc2cc(OCC)ccc2C1 ZINC000441090568 206079487 /nfs/dbraw/zinc/07/94/87/206079487.db2.gz MKZQSJWDOBKCLB-UHFFFAOYSA-N 1 1 231.339 3.020 20 30 BGEDMO C=CCCC[N@@H+]1CCCC[C@@H](SC)C1 ZINC000441118516 387730336 /nfs/dbraw/zinc/73/03/36/387730336.db2.gz NPBPEHZMYGJJJF-GFCCVEGCSA-N 1 1 213.390 3.170 20 30 BGEDMO C=CCCC[N@@H+]1CCCC[C@H](SC)C1 ZINC000441118518 387730632 /nfs/dbraw/zinc/73/06/32/387730632.db2.gz NPBPEHZMYGJJJF-LBPRGKRZSA-N 1 1 213.390 3.170 20 30 BGEDMO C=CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)CC ZINC000441124718 387731840 /nfs/dbraw/zinc/73/18/40/387731840.db2.gz ZVKFRVWCPHSIQI-INIZCTEOSA-N 1 1 247.382 3.226 20 30 BGEDMO C=CCCC[N@@H+](Cc1ccccc1)C[C@H](O)CC ZINC000441124721 387731600 /nfs/dbraw/zinc/73/16/00/387731600.db2.gz ZVKFRVWCPHSIQI-MRXNPFEDSA-N 1 1 247.382 3.226 20 30 BGEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441149766 387730171 /nfs/dbraw/zinc/73/01/71/387730171.db2.gz XJACEHACQHOTSQ-GFCCVEGCSA-N 1 1 233.742 3.033 20 30 BGEDMO C[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441149769 387732159 /nfs/dbraw/zinc/73/21/59/387732159.db2.gz XJACEHACQHOTSQ-LBPRGKRZSA-N 1 1 233.742 3.033 20 30 BGEDMO CCCC[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441155213 387732311 /nfs/dbraw/zinc/73/23/11/387732311.db2.gz IXINJZFJGIVIGP-UHFFFAOYSA-N 1 1 235.758 3.423 20 30 BGEDMO CCC[N@@H+](CC)CC#Cc1ccccc1Cl ZINC000441165945 387731043 /nfs/dbraw/zinc/73/10/43/387731043.db2.gz IKSLZPIUUSISLI-UHFFFAOYSA-N 1 1 235.758 3.423 20 30 BGEDMO CC(C)C[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441166058 387731921 /nfs/dbraw/zinc/73/19/21/387731921.db2.gz ITSKAPCVNZSGPQ-UHFFFAOYSA-N 1 1 235.758 3.279 20 30 BGEDMO C[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC000441167412 387732557 /nfs/dbraw/zinc/73/25/57/387732557.db2.gz MDOAGWNPQAKJSQ-BETUJISGSA-N 1 1 247.769 3.279 20 30 BGEDMO CC[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441167537 387732578 /nfs/dbraw/zinc/73/25/78/387732578.db2.gz LXKXMIAHSPEXSG-CYBMUJFWSA-N 1 1 247.769 3.423 20 30 BGEDMO CC[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441167538 387731743 /nfs/dbraw/zinc/73/17/43/387731743.db2.gz LXKXMIAHSPEXSG-ZDUSSCGKSA-N 1 1 247.769 3.423 20 30 BGEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC000441167592 387729995 /nfs/dbraw/zinc/72/99/95/387729995.db2.gz KFYVUTWHQCPSCS-CHWSQXEVSA-N 1 1 247.769 3.422 20 30 BGEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@H]1C ZINC000441167593 387732336 /nfs/dbraw/zinc/73/23/36/387732336.db2.gz KFYVUTWHQCPSCS-OLZOCXBDSA-N 1 1 247.769 3.422 20 30 BGEDMO C[C@@H]1[C@@H](C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000441167595 387730423 /nfs/dbraw/zinc/73/04/23/387730423.db2.gz KFYVUTWHQCPSCS-QWHCGFSZSA-N 1 1 247.769 3.422 20 30 BGEDMO C[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@H]1C ZINC000441167597 387730228 /nfs/dbraw/zinc/73/02/28/387730228.db2.gz KFYVUTWHQCPSCS-STQMWFEESA-N 1 1 247.769 3.422 20 30 BGEDMO CC1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441169950 387731894 /nfs/dbraw/zinc/73/18/94/387731894.db2.gz MSLRQRTZEOLPJO-UHFFFAOYSA-N 1 1 247.769 3.423 20 30 BGEDMO CC1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441169950 387731892 /nfs/dbraw/zinc/73/18/92/387731892.db2.gz MSLRQRTZEOLPJO-UHFFFAOYSA-N 1 1 247.769 3.423 20 30 BGEDMO C[C@@H]1C[C@@H](C)[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441170152 387730920 /nfs/dbraw/zinc/73/09/20/387730920.db2.gz KZBTXPOCXMAUCY-CHWSQXEVSA-N 1 1 247.769 3.422 20 30 BGEDMO C[C@@H]1C[C@H](C)[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441170159 387731111 /nfs/dbraw/zinc/73/11/11/387731111.db2.gz KZBTXPOCXMAUCY-OLZOCXBDSA-N 1 1 247.769 3.422 20 30 BGEDMO C[C@@H]1C[C@H](C)C[N@@H+]1CC#Cc1ccccc1Cl ZINC000441170160 387731639 /nfs/dbraw/zinc/73/16/39/387731639.db2.gz KZBTXPOCXMAUCY-QWHCGFSZSA-N 1 1 247.769 3.422 20 30 BGEDMO C[C@H]1C[C@H](C)[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441170341 387730654 /nfs/dbraw/zinc/73/06/54/387730654.db2.gz KZBTXPOCXMAUCY-STQMWFEESA-N 1 1 247.769 3.422 20 30 BGEDMO CC[N@@H+](CC#Cc1ccccc1Cl)C1CC1 ZINC000441180501 387732271 /nfs/dbraw/zinc/73/22/71/387732271.db2.gz ZAEVUZMSZKDJDM-UHFFFAOYSA-N 1 1 233.742 3.176 20 30 BGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)CC1CCC1 ZINC000441220176 387737982 /nfs/dbraw/zinc/73/79/82/387737982.db2.gz SPUINSPXDYQIIA-UHFFFAOYSA-N 1 1 245.366 3.483 20 30 BGEDMO C=CC[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000441325942 387748349 /nfs/dbraw/zinc/74/83/49/387748349.db2.gz RCFBQFJDUMPGMK-UHFFFAOYSA-N 1 1 217.356 3.390 20 30 BGEDMO C=CC[N@H+](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000441330136 387747294 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CC(C)(C#N)CCCC[N@H+]1CCC=C(F)C1 ZINC000444680424 387907754 /nfs/dbraw/zinc/90/77/54/387907754.db2.gz ORSLTQDOMGIZLA-UHFFFAOYSA-N 1 1 224.323 3.266 20 30 BGEDMO CC(C)(C#N)CCCC[N@@H+]1CCC=C(F)C1 ZINC000444680424 387907750 /nfs/dbraw/zinc/90/77/50/387907750.db2.gz ORSLTQDOMGIZLA-UHFFFAOYSA-N 1 1 224.323 3.266 20 30 BGEDMO C=CC[N@H+](CCCCC(C)(C)C#N)C1CC1 ZINC000444684395 387908135 /nfs/dbraw/zinc/90/81/35/387908135.db2.gz JMVVJCGLLKCFNG-UHFFFAOYSA-N 1 1 220.360 3.357 20 30 BGEDMO C=CC[N@H+](CCc1ccccc1CC)C1CC1 ZINC000444688293 387911662 /nfs/dbraw/zinc/91/16/62/387911662.db2.gz YPMKSPMNWFVUOL-UHFFFAOYSA-N 1 1 229.367 3.442 20 30 BGEDMO C=C(CC)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444691797 387911716 /nfs/dbraw/zinc/91/17/16/387911716.db2.gz KLAWVPIROOJYRD-JTQLQIEISA-N 1 1 221.266 3.227 20 30 BGEDMO C=C(CC)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444691798 387910870 /nfs/dbraw/zinc/91/08/70/387910870.db2.gz KLAWVPIROOJYRD-SNVBAGLBSA-N 1 1 221.266 3.227 20 30 BGEDMO Cc1cc(C)cc(C[N@@H+](C)CCCC#N)c1 ZINC000444691836 387906548 /nfs/dbraw/zinc/90/65/48/387906548.db2.gz KODVOBASPNUZDQ-UHFFFAOYSA-N 1 1 216.328 3.039 20 30 BGEDMO C=C(CC)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444692170 387910284 /nfs/dbraw/zinc/91/02/84/387910284.db2.gz BCWXCDLWWXCHMS-UHFFFAOYSA-N 1 1 225.282 3.363 20 30 BGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000444696194 387911820 /nfs/dbraw/zinc/91/18/20/387911820.db2.gz VEAKCZYTYLNGEL-INIZCTEOSA-N 1 1 247.382 3.062 20 30 BGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000444696195 387911022 /nfs/dbraw/zinc/91/10/22/387911022.db2.gz VEAKCZYTYLNGEL-MRXNPFEDSA-N 1 1 247.382 3.062 20 30 BGEDMO CC#CCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000444697232 387913066 /nfs/dbraw/zinc/91/30/66/387913066.db2.gz ATWPLAZDVHTLLM-UHFFFAOYSA-N 1 1 215.340 3.149 20 30 BGEDMO C[N@@H+](CCCCC#N)Cc1cc(F)cc(F)c1 ZINC000444700103 387914255 /nfs/dbraw/zinc/91/42/55/387914255.db2.gz UXHBDLWQAMFAQJ-UHFFFAOYSA-N 1 1 238.281 3.090 20 30 BGEDMO Cc1cc(C)cc(C[N@H+](C)CC2(C#N)CC2)c1 ZINC000444703105 387914306 /nfs/dbraw/zinc/91/43/06/387914306.db2.gz JJIKBTCHHAATMR-UHFFFAOYSA-N 1 1 228.339 3.039 20 30 BGEDMO Cc1cc(C)cc(C[N@@H+](C)CC2(C#N)CC2)c1 ZINC000444703105 387914304 /nfs/dbraw/zinc/91/43/04/387914304.db2.gz JJIKBTCHHAATMR-UHFFFAOYSA-N 1 1 228.339 3.039 20 30 BGEDMO C=CCCC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444712889 387915265 /nfs/dbraw/zinc/91/52/65/387915265.db2.gz ZTOQVORQDYYLQY-JTQLQIEISA-N 1 1 221.266 3.227 20 30 BGEDMO C=CCCC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444712890 387914774 /nfs/dbraw/zinc/91/47/74/387914774.db2.gz ZTOQVORQDYYLQY-SNVBAGLBSA-N 1 1 221.266 3.227 20 30 BGEDMO CC#CCC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000444713251 387915142 /nfs/dbraw/zinc/91/51/42/387915142.db2.gz FXHWCSQNRSLLMN-UHFFFAOYSA-N 1 1 239.721 3.324 20 30 BGEDMO Cc1cc(C)cc(C[N@@H+](C)CCCCC#N)c1 ZINC000444718704 487767315 /nfs/dbraw/zinc/76/73/15/487767315.db2.gz WNKSQXDYLVDSHY-UHFFFAOYSA-N 1 1 230.355 3.429 20 30 BGEDMO CC1(C)CCC[N@@H+](CC2CCCC2)[C@@H]1C#N ZINC000444721388 397942741 /nfs/dbraw/zinc/94/27/41/397942741.db2.gz WGJVTDUWDIAWFK-CYBMUJFWSA-N 1 1 220.360 3.191 20 30 BGEDMO CC1(C)CCC[N@H+](CC2CCCC2)[C@@H]1C#N ZINC000444721388 397942738 /nfs/dbraw/zinc/94/27/38/397942738.db2.gz WGJVTDUWDIAWFK-CYBMUJFWSA-N 1 1 220.360 3.191 20 30 BGEDMO CC1(C)CCC[N@@H+](CC2CCCC2)[C@H]1C#N ZINC000444721389 397942980 /nfs/dbraw/zinc/94/29/80/397942980.db2.gz WGJVTDUWDIAWFK-ZDUSSCGKSA-N 1 1 220.360 3.191 20 30 BGEDMO CC1(C)CCC[N@H+](CC2CCCC2)[C@H]1C#N ZINC000444721389 397942978 /nfs/dbraw/zinc/94/29/78/397942978.db2.gz WGJVTDUWDIAWFK-ZDUSSCGKSA-N 1 1 220.360 3.191 20 30 BGEDMO CC[C@@H](C)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444731929 387917834 /nfs/dbraw/zinc/91/78/34/387917834.db2.gz VNMKVLIQCJHBHZ-NEPJUHHUSA-N 1 1 208.349 3.047 20 30 BGEDMO CC[C@@H](C)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444731929 387917829 /nfs/dbraw/zinc/91/78/29/387917829.db2.gz VNMKVLIQCJHBHZ-NEPJUHHUSA-N 1 1 208.349 3.047 20 30 BGEDMO CC[C@H](C)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444731931 387917679 /nfs/dbraw/zinc/91/76/79/387917679.db2.gz VNMKVLIQCJHBHZ-NWDGAFQWSA-N 1 1 208.349 3.047 20 30 BGEDMO CC[C@H](C)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444731931 387917675 /nfs/dbraw/zinc/91/76/75/387917675.db2.gz VNMKVLIQCJHBHZ-NWDGAFQWSA-N 1 1 208.349 3.047 20 30 BGEDMO CC[C@H](C)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444731933 387917291 /nfs/dbraw/zinc/91/72/91/387917291.db2.gz VNMKVLIQCJHBHZ-RYUDHWBXSA-N 1 1 208.349 3.047 20 30 BGEDMO CC[C@H](C)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444731933 387917287 /nfs/dbraw/zinc/91/72/87/387917287.db2.gz VNMKVLIQCJHBHZ-RYUDHWBXSA-N 1 1 208.349 3.047 20 30 BGEDMO CC[C@@H](C)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444731935 387916640 /nfs/dbraw/zinc/91/66/40/387916640.db2.gz VNMKVLIQCJHBHZ-VXGBXAGGSA-N 1 1 208.349 3.047 20 30 BGEDMO CC[C@@H](C)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444731935 387916636 /nfs/dbraw/zinc/91/66/36/387916636.db2.gz VNMKVLIQCJHBHZ-VXGBXAGGSA-N 1 1 208.349 3.047 20 30 BGEDMO Cc1cc(C[N@@H+](C)CCCCC#N)ccc1F ZINC000444734156 387916504 /nfs/dbraw/zinc/91/65/04/387916504.db2.gz MEFVLYYCMUKILJ-UHFFFAOYSA-N 1 1 234.318 3.260 20 30 BGEDMO CC(C)[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000444765017 387924470 /nfs/dbraw/zinc/92/44/70/387924470.db2.gz DDSOXGDHWROOLP-CYBMUJFWSA-N 1 1 208.349 3.048 20 30 BGEDMO CC(C)[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000444765018 387923783 /nfs/dbraw/zinc/92/37/83/387923783.db2.gz DDSOXGDHWROOLP-ZDUSSCGKSA-N 1 1 208.349 3.048 20 30 BGEDMO CC(C)[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000444772973 387928329 /nfs/dbraw/zinc/92/83/29/387928329.db2.gz PNBHILHOSUWMHF-CYBMUJFWSA-N 1 1 240.416 3.001 20 30 BGEDMO CC(C)[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000444772977 387927486 /nfs/dbraw/zinc/92/74/86/387927486.db2.gz PNBHILHOSUWMHF-ZDUSSCGKSA-N 1 1 240.416 3.001 20 30 BGEDMO C=CC[C@H]1[N@@H+](CCSC)CCCC1(C)C ZINC000444773674 387928296 /nfs/dbraw/zinc/92/82/96/387928296.db2.gz FLCJJWUXORWOHF-GFCCVEGCSA-N 1 1 227.417 3.416 20 30 BGEDMO C=CC[C@@H]1[N@@H+](CCSC)CCCC1(C)C ZINC000444773675 387927059 /nfs/dbraw/zinc/92/70/59/387927059.db2.gz FLCJJWUXORWOHF-LBPRGKRZSA-N 1 1 227.417 3.416 20 30 BGEDMO C=CC[C@H]1[N@H+](CCCF)CCCC1(C)C ZINC000444775006 387927381 /nfs/dbraw/zinc/92/73/81/387927381.db2.gz LIYHILOSCLVAEL-GFCCVEGCSA-N 1 1 213.340 3.413 20 30 BGEDMO C=CC[C@@H]1[N@H+](CCCF)CCCC1(C)C ZINC000444775007 387926460 /nfs/dbraw/zinc/92/64/60/387926460.db2.gz LIYHILOSCLVAEL-LBPRGKRZSA-N 1 1 213.340 3.413 20 30 BGEDMO C=CC[C@@H]1[N@H+](C[C@@H]2CCOC2)CCCC1(C)C ZINC000444776248 387927308 /nfs/dbraw/zinc/92/73/08/387927308.db2.gz OXNZDQVJHHZMNY-KBPBESRZSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CC[C@@H]1[N@H+](C[C@H]2CCOC2)CCCC1(C)C ZINC000444776249 387926978 /nfs/dbraw/zinc/92/69/78/387926978.db2.gz OXNZDQVJHHZMNY-KGLIPLIRSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CC[C@H]1[N@H+](C[C@@H]2CCOC2)CCCC1(C)C ZINC000444776250 387929214 /nfs/dbraw/zinc/92/92/14/387929214.db2.gz OXNZDQVJHHZMNY-UONOGXRCSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CC[C@H]1[N@H+](C[C@H]2CCOC2)CCCC1(C)C ZINC000444776251 387929348 /nfs/dbraw/zinc/92/93/48/387929348.db2.gz OXNZDQVJHHZMNY-ZIAGYGMSSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CC[C@H]1[N@@H+](CCOCC)CCCC1(C)C ZINC000444776581 387930460 /nfs/dbraw/zinc/93/04/60/387930460.db2.gz PMEDAUHKKZZZQK-CYBMUJFWSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CC[C@@H]1[N@@H+](CCOCC)CCCC1(C)C ZINC000444776582 387930045 /nfs/dbraw/zinc/93/00/45/387930045.db2.gz PMEDAUHKKZZZQK-ZDUSSCGKSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CC[C@H]1[N@@H+](CCCOC)CCCC1(C)C ZINC000444778117 387927084 /nfs/dbraw/zinc/92/70/84/387927084.db2.gz HODOAOMLSXFDGV-CYBMUJFWSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CC[C@@H]1[N@@H+](CCCOC)CCCC1(C)C ZINC000444778118 387926719 /nfs/dbraw/zinc/92/67/19/387926719.db2.gz HODOAOMLSXFDGV-ZDUSSCGKSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CC[C@H]1[N@@H+](CC2(C)COC2)CCCC1(C)C ZINC000444778486 387929524 /nfs/dbraw/zinc/92/95/24/387929524.db2.gz JAJSLAMCEQJXRI-CYBMUJFWSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CC[C@@H]1[N@@H+](CC2(C)COC2)CCCC1(C)C ZINC000444778487 387929514 /nfs/dbraw/zinc/92/95/14/387929514.db2.gz JAJSLAMCEQJXRI-ZDUSSCGKSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CC[C@H]1[N@H+](CC2CC2)CCCC1(C)C ZINC000444778578 387930178 /nfs/dbraw/zinc/93/01/78/387930178.db2.gz JFQLPVSGSWEYPR-CYBMUJFWSA-N 1 1 207.361 3.463 20 30 BGEDMO C=CC[C@@H]1[N@H+](CC2CC2)CCCC1(C)C ZINC000444778579 201633933 /nfs/dbraw/zinc/63/39/33/201633933.db2.gz JFQLPVSGSWEYPR-ZDUSSCGKSA-N 1 1 207.361 3.463 20 30 BGEDMO C=CC[C@@H]1[N@H+](CCCCCO)CCCC1(C)C ZINC000444780786 387930844 /nfs/dbraw/zinc/93/08/44/387930844.db2.gz FUTMRYZIMWXLTM-AWEZNQCLSA-N 1 1 239.403 3.216 20 30 BGEDMO C=CC[C@H]1[N@H+](CCCCCO)CCCC1(C)C ZINC000444780787 387928984 /nfs/dbraw/zinc/92/89/84/387928984.db2.gz FUTMRYZIMWXLTM-CQSZACIVSA-N 1 1 239.403 3.216 20 30 BGEDMO C=CC[C@H]1[N@@H+](C[C@@H](C)OC)CCCC1(C)C ZINC000444780797 387930336 /nfs/dbraw/zinc/93/03/36/387930336.db2.gz FXOLTISMPKQFQK-CHWSQXEVSA-N 1 1 225.376 3.088 20 30 BGEDMO C=CC[C@@H]1[N@@H+](C[C@@H](C)OC)CCCC1(C)C ZINC000444780798 387930835 /nfs/dbraw/zinc/93/08/35/387930835.db2.gz FXOLTISMPKQFQK-OLZOCXBDSA-N 1 1 225.376 3.088 20 30 BGEDMO C=CC[C@H]1[N@@H+](C[C@H](C)OC)CCCC1(C)C ZINC000444780799 387930551 /nfs/dbraw/zinc/93/05/51/387930551.db2.gz FXOLTISMPKQFQK-QWHCGFSZSA-N 1 1 225.376 3.088 20 30 BGEDMO C=CC[C@@H]1[N@@H+](C[C@H](C)OC)CCCC1(C)C ZINC000444780800 387930574 /nfs/dbraw/zinc/93/05/74/387930574.db2.gz FXOLTISMPKQFQK-STQMWFEESA-N 1 1 225.376 3.088 20 30 BGEDMO C=CC[C@@H]1[N@@H+](CCC[C@H](C)O)CCCC1(C)C ZINC000444783481 387929667 /nfs/dbraw/zinc/92/96/67/387929667.db2.gz LJIRNVODTAWNMR-KBPBESRZSA-N 1 1 239.403 3.214 20 30 BGEDMO C=CC[C@@H]1[N@@H+](CCC[C@@H](C)O)CCCC1(C)C ZINC000444783482 387930394 /nfs/dbraw/zinc/93/03/94/387930394.db2.gz LJIRNVODTAWNMR-KGLIPLIRSA-N 1 1 239.403 3.214 20 30 BGEDMO C=CC[C@H]1[N@@H+](CCC[C@H](C)O)CCCC1(C)C ZINC000444783483 201635843 /nfs/dbraw/zinc/63/58/43/201635843.db2.gz LJIRNVODTAWNMR-UONOGXRCSA-N 1 1 239.403 3.214 20 30 BGEDMO C=CC[C@H]1[N@@H+](CCC[C@@H](C)O)CCCC1(C)C ZINC000444783484 387927935 /nfs/dbraw/zinc/92/79/35/387927935.db2.gz LJIRNVODTAWNMR-ZIAGYGMSSA-N 1 1 239.403 3.214 20 30 BGEDMO C=CC[C@@H]1[N@@H+](CCCOCC)CCCC1(C)C ZINC000444785213 387931496 /nfs/dbraw/zinc/93/14/96/387931496.db2.gz PUTCTDBZFUXTFM-AWEZNQCLSA-N 1 1 239.403 3.480 20 30 BGEDMO C=CC[C@H]1[N@@H+](CCCOCC)CCCC1(C)C ZINC000444785214 387933098 /nfs/dbraw/zinc/93/30/98/387933098.db2.gz PUTCTDBZFUXTFM-CQSZACIVSA-N 1 1 239.403 3.480 20 30 BGEDMO C=CC[C@@H]1[N@@H+](CCOC(C)C)CCCC1(C)C ZINC000444785344 387932195 /nfs/dbraw/zinc/93/21/95/387932195.db2.gz XSDIZFBHYXWDIM-AWEZNQCLSA-N 1 1 239.403 3.478 20 30 BGEDMO C=CC[C@H]1[N@@H+](CCOC(C)C)CCCC1(C)C ZINC000444785345 387931629 /nfs/dbraw/zinc/93/16/29/387931629.db2.gz XSDIZFBHYXWDIM-CQSZACIVSA-N 1 1 239.403 3.478 20 30 BGEDMO C=CC[C@H]1[N@H+](CC2(C#N)CC2)CCCC1(C)C ZINC000444785391 387933420 /nfs/dbraw/zinc/93/34/20/387933420.db2.gz XYKWOWQRJBYDRK-CYBMUJFWSA-N 1 1 232.371 3.357 20 30 BGEDMO C=CC[C@@H]1[N@H+](CC2(C#N)CC2)CCCC1(C)C ZINC000444785392 387933466 /nfs/dbraw/zinc/93/34/66/387933466.db2.gz XYKWOWQRJBYDRK-ZDUSSCGKSA-N 1 1 232.371 3.357 20 30 BGEDMO N#Cc1cccc(C[N@H+]2CCCC23CCC3)c1F ZINC000444787495 388558000 /nfs/dbraw/zinc/55/80/00/388558000.db2.gz RPDMLRKZJATNLA-UHFFFAOYSA-N 1 1 244.313 3.216 20 30 BGEDMO C=CC[C@H]1[N@H+](CCCC#N)CCCC1(C)C ZINC000444788096 387931365 /nfs/dbraw/zinc/93/13/65/387931365.db2.gz SXEJJDRWOQJOPR-CYBMUJFWSA-N 1 1 220.360 3.357 20 30 BGEDMO C=CC[C@@H]1[N@H+](CCCC#N)CCCC1(C)C ZINC000444788097 387932676 /nfs/dbraw/zinc/93/26/76/387932676.db2.gz SXEJJDRWOQJOPR-ZDUSSCGKSA-N 1 1 220.360 3.357 20 30 BGEDMO C=CC[C@H]1[N@@H+](CCC(C)(C)O)CCCC1(C)C ZINC000444788133 387932259 /nfs/dbraw/zinc/93/22/59/387932259.db2.gz TWQDFFIHGSYCIX-CYBMUJFWSA-N 1 1 239.403 3.214 20 30 BGEDMO C=CC[C@@H]1[N@@H+](CCC(C)(C)O)CCCC1(C)C ZINC000444788134 387931683 /nfs/dbraw/zinc/93/16/83/387931683.db2.gz TWQDFFIHGSYCIX-ZDUSSCGKSA-N 1 1 239.403 3.214 20 30 BGEDMO Fc1ccc(C#CC[N@H+]2CCCC23CCC3)cc1 ZINC000444788404 387932952 /nfs/dbraw/zinc/93/29/52/387932952.db2.gz VBDNJBDAEHGOOG-UHFFFAOYSA-N 1 1 243.325 3.196 20 30 BGEDMO C=CC[C@H]1[N@H+](Cc2ncccn2)CCCC1(C)C ZINC000444790033 387932303 /nfs/dbraw/zinc/93/23/03/387932303.db2.gz GZKBWENTKHUEON-CYBMUJFWSA-N 1 1 245.370 3.043 20 30 BGEDMO C=CC[C@@H]1[N@H+](Cc2ncccn2)CCCC1(C)C ZINC000444790034 387931536 /nfs/dbraw/zinc/93/15/36/387931536.db2.gz GZKBWENTKHUEON-ZDUSSCGKSA-N 1 1 245.370 3.043 20 30 BGEDMO C=C(C)C[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000445449053 387130583 /nfs/dbraw/zinc/13/05/83/387130583.db2.gz NHUVYLUEKQAPEM-GFCCVEGCSA-N 1 1 221.319 3.265 20 30 BGEDMO C=C(C)C[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000445449064 387131335 /nfs/dbraw/zinc/13/13/35/387131335.db2.gz NHUVYLUEKQAPEM-LBPRGKRZSA-N 1 1 221.319 3.265 20 30 BGEDMO C=C(C)C[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000445461127 387544276 /nfs/dbraw/zinc/54/42/76/387544276.db2.gz FOOWAUNDIWDKHO-AWEZNQCLSA-N 1 1 217.356 3.434 20 30 BGEDMO C=C(C)C[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000445461137 387543663 /nfs/dbraw/zinc/54/36/63/387543663.db2.gz FOOWAUNDIWDKHO-CQSZACIVSA-N 1 1 217.356 3.434 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccccc1CC ZINC000445810678 387970718 /nfs/dbraw/zinc/97/07/18/387970718.db2.gz MNOTXPVPWVLMRF-UHFFFAOYSA-N 1 1 203.329 3.257 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cc(F)ccc1Cl ZINC000445811079 387970593 /nfs/dbraw/zinc/97/05/93/387970593.db2.gz PCZFIAYDSVFUIL-UHFFFAOYSA-N 1 1 227.710 3.487 20 30 BGEDMO C=C(C)C[N@@H+](C)Cc1cc(F)ccc1Cl ZINC000445811079 387970591 /nfs/dbraw/zinc/97/05/91/387970591.db2.gz PCZFIAYDSVFUIL-UHFFFAOYSA-N 1 1 227.710 3.487 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](C)CC1(N(C)C)CCC1 ZINC000445842781 387971870 /nfs/dbraw/zinc/97/18/70/387971870.db2.gz MNGWBGOQIIVGQW-AWEZNQCLSA-N 1 1 238.419 3.147 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](C)CC1(N(C)C)CCC1 ZINC000445842782 387971937 /nfs/dbraw/zinc/97/19/37/387971937.db2.gz MNGWBGOQIIVGQW-CQSZACIVSA-N 1 1 238.419 3.147 20 30 BGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCCC2(CCCC2)C1 ZINC000445843095 387973291 /nfs/dbraw/zinc/97/32/91/387973291.db2.gz WJKJXBSBLQDOQZ-AWEZNQCLSA-N 1 1 245.370 3.086 20 30 BGEDMO N#CCC[C@H](C#N)C[N@H+]1CCCC2(CCCC2)C1 ZINC000445843096 387972874 /nfs/dbraw/zinc/97/28/74/387972874.db2.gz WJKJXBSBLQDOQZ-CQSZACIVSA-N 1 1 245.370 3.086 20 30 BGEDMO N#CCCCC[N@H+]1CCCC2(CCCC2)C1 ZINC000445864905 387976751 /nfs/dbraw/zinc/97/67/51/387976751.db2.gz ZWXCGXCNOJFNBN-UHFFFAOYSA-N 1 1 220.360 3.336 20 30 BGEDMO CC#CCC[N@H+]1CCCC2(CCCC2)C1 ZINC000445865387 387976977 /nfs/dbraw/zinc/97/69/77/387976977.db2.gz FLWBQECVPNMONH-UHFFFAOYSA-N 1 1 205.345 3.056 20 30 BGEDMO C=CC[N@H+](C)Cc1cc(F)ccc1Cl ZINC000445998284 387984628 /nfs/dbraw/zinc/98/46/28/387984628.db2.gz IBSAAAWRHSSHIZ-UHFFFAOYSA-N 1 1 213.683 3.097 20 30 BGEDMO C=CC[N@@H+](C)Cc1cc(F)ccc1Cl ZINC000445998284 387984625 /nfs/dbraw/zinc/98/46/25/387984625.db2.gz IBSAAAWRHSSHIZ-UHFFFAOYSA-N 1 1 213.683 3.097 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCc2ncsc2C1 ZINC000446065710 387990774 /nfs/dbraw/zinc/99/07/74/387990774.db2.gz 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/nfs/dbraw/zinc/04/11/35/388041135.db2.gz NSCDJKKRBCWTOX-CQSZACIVSA-N 1 1 247.386 3.285 20 30 BGEDMO C=CC[C@H]1[N@H+](Cc2cn[nH]c2C)CCCC1(C)C ZINC000446827351 388041132 /nfs/dbraw/zinc/04/11/32/388041132.db2.gz NSCDJKKRBCWTOX-CQSZACIVSA-N 1 1 247.386 3.285 20 30 BGEDMO C=CC[C@H]1[N@@H+](Cc2c[nH]nc2C)CCCC1(C)C ZINC000446827351 388041130 /nfs/dbraw/zinc/04/11/30/388041130.db2.gz NSCDJKKRBCWTOX-CQSZACIVSA-N 1 1 247.386 3.285 20 30 BGEDMO CC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000446841495 388041556 /nfs/dbraw/zinc/04/15/56/388041556.db2.gz QJOKOTXBKZEIAA-HNNXBMFYSA-N 1 1 231.314 3.052 20 30 BGEDMO CC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000446841496 388041408 /nfs/dbraw/zinc/04/14/08/388041408.db2.gz QJOKOTXBKZEIAA-OAHLLOKOSA-N 1 1 231.314 3.052 20 30 BGEDMO C=CC[N@H+](C)Cc1ccc(C)cc1Cl ZINC000447272363 388059795 /nfs/dbraw/zinc/05/97/95/388059795.db2.gz VZPLXTFRNZQELQ-UHFFFAOYSA-N 1 1 209.720 3.266 20 30 BGEDMO C=CC[N@@H+](C)Cc1ccc(C)cc1Cl ZINC000447272363 388059792 /nfs/dbraw/zinc/05/97/92/388059792.db2.gz VZPLXTFRNZQELQ-UHFFFAOYSA-N 1 1 209.720 3.266 20 30 BGEDMO CCCc1[nH+]ccn1Cc1ccc(C#N)c(C)c1 ZINC000447302215 388735951 /nfs/dbraw/zinc/73/59/51/388735951.db2.gz OSGHBBNFQDXVHU-UHFFFAOYSA-N 1 1 239.322 3.064 20 30 BGEDMO C=CCCCCCO[C@H](C)Cc1[nH]cc[nH+]1 ZINC000447311262 388062928 /nfs/dbraw/zinc/06/29/28/388062928.db2.gz GJKIIKCDLCSBMK-GFCCVEGCSA-N 1 1 222.332 3.104 20 30 BGEDMO C=CCCCCCO[C@@H](C)Cc1[nH]cc[nH+]1 ZINC000447311263 388063240 /nfs/dbraw/zinc/06/32/40/388063240.db2.gz GJKIIKCDLCSBMK-LBPRGKRZSA-N 1 1 222.332 3.104 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@H](C)CCOC ZINC000447370170 537955168 /nfs/dbraw/zinc/95/51/68/537955168.db2.gz ZXTVDFHJTDSCND-CYBMUJFWSA-N 1 1 213.365 3.090 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@@H](C)CCOC ZINC000447370171 537957192 /nfs/dbraw/zinc/95/71/92/537957192.db2.gz ZXTVDFHJTDSCND-ZDUSSCGKSA-N 1 1 213.365 3.090 20 30 BGEDMO CC#CCC[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000447390348 388069052 /nfs/dbraw/zinc/06/90/52/388069052.db2.gz ABBHXEZMWWLGFA-ZDUSSCGKSA-N 1 1 207.361 3.300 20 30 BGEDMO C=CCCC[N@@H+]1CCC[C@@]1(CCC)COC ZINC000447392769 388068437 /nfs/dbraw/zinc/06/84/37/388068437.db2.gz BZNHYXXUPPBLFA-AWEZNQCLSA-N 1 1 225.376 3.234 20 30 BGEDMO C=CCCC[N@@H+]1CCC[C@]1(CCC)COC ZINC000447392770 388069234 /nfs/dbraw/zinc/06/92/34/388069234.db2.gz BZNHYXXUPPBLFA-CQSZACIVSA-N 1 1 225.376 3.234 20 30 BGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000447400906 388069088 /nfs/dbraw/zinc/06/90/88/388069088.db2.gz SWKMIIRCDUWTCZ-DZGCQCFKSA-N 1 1 239.403 3.214 20 30 BGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000447400907 388068286 /nfs/dbraw/zinc/06/82/86/388068286.db2.gz SWKMIIRCDUWTCZ-ZFWWWQNUSA-N 1 1 239.403 3.214 20 30 BGEDMO C=C(CC)C[N@@H+]1CCC[C@@]1(CCC)COC ZINC000447405695 388070723 /nfs/dbraw/zinc/07/07/23/388070723.db2.gz ZFQCZHPABHFDKK-AWEZNQCLSA-N 1 1 225.376 3.234 20 30 BGEDMO C=C(CC)C[N@@H+]1CCC[C@]1(CCC)COC ZINC000447405696 388071031 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384991466 /nfs/dbraw/zinc/99/14/66/384991466.db2.gz JRPIXZMFHIWCIQ-ZIAGYGMSSA-N 1 1 239.403 3.478 20 30 BGEDMO CCCC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000448196048 200708025 /nfs/dbraw/zinc/70/80/25/200708025.db2.gz HMZUFCMEIGURSU-UHFFFAOYSA-N 1 1 235.758 3.423 20 30 BGEDMO C[C@@H]1C[C@H](C)C[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000448520903 201161520 /nfs/dbraw/zinc/16/15/20/201161520.db2.gz OWBSELDSRGIGFO-OKILXGFUSA-N 1 1 245.341 3.155 20 30 BGEDMO CC[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000448522475 201160776 /nfs/dbraw/zinc/16/07/76/201160776.db2.gz VRTGEBQGPRFGOU-INIZCTEOSA-N 1 1 245.341 3.442 20 30 BGEDMO CC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000448522476 201161466 /nfs/dbraw/zinc/16/14/66/201161466.db2.gz VRTGEBQGPRFGOU-MRXNPFEDSA-N 1 1 245.341 3.442 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1ccnn1C1CCCC1 ZINC000449001784 388127269 /nfs/dbraw/zinc/12/72/69/388127269.db2.gz GMHLXKWWXKQYDA-UHFFFAOYSA-N 1 1 247.386 3.396 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1csc(C)c1 ZINC000449002417 388127785 /nfs/dbraw/zinc/12/77/85/388127785.db2.gz KVQQABNAJCPCOI-UHFFFAOYSA-N 1 1 209.358 3.455 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1cc2cccnc2o1 ZINC000449002980 388127567 /nfs/dbraw/zinc/12/75/67/388127567.db2.gz OBHFDQXVYVOMCG-UHFFFAOYSA-N 1 1 230.311 3.226 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)cc(OC)c1 ZINC000449004703 388126654 /nfs/dbraw/zinc/12/66/54/388126654.db2.gz ZLBKDFHGKPJLEK-UHFFFAOYSA-N 1 1 237.318 3.232 20 30 BGEDMO CC[N@@H+](CCC#N)Cc1cccc2ccoc21 ZINC000449008843 388126642 /nfs/dbraw/zinc/12/66/42/388126642.db2.gz GFRVPFFRYMVXFS-UHFFFAOYSA-N 1 1 228.295 3.168 20 30 BGEDMO CC[N@H+](CCC#N)Cc1cccc2ccoc21 ZINC000449008843 388126637 /nfs/dbraw/zinc/12/66/37/388126637.db2.gz GFRVPFFRYMVXFS-UHFFFAOYSA-N 1 1 228.295 3.168 20 30 BGEDMO CC[N@H+](Cc1cccc2ccoc21)C[C@H](C)C#N ZINC000449016086 388130342 /nfs/dbraw/zinc/13/03/42/388130342.db2.gz MLQWEUSVOUXMIE-GFCCVEGCSA-N 1 1 242.322 3.414 20 30 BGEDMO CC[N@H+](Cc1cccc2ccoc21)C[C@@H](C)C#N ZINC000449016087 388129791 /nfs/dbraw/zinc/12/97/91/388129791.db2.gz MLQWEUSVOUXMIE-LBPRGKRZSA-N 1 1 242.322 3.414 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)Cc1cccc2ccoc21 ZINC000449019797 491078914 /nfs/dbraw/zinc/07/89/14/491078914.db2.gz XSJODOJJSJLLAB-LLVKDONJSA-N 1 1 228.295 3.024 20 30 BGEDMO C[C@H](C#N)C[N@H+](C)Cc1cccc2ccoc21 ZINC000449019797 491078913 /nfs/dbraw/zinc/07/89/13/491078913.db2.gz XSJODOJJSJLLAB-LLVKDONJSA-N 1 1 228.295 3.024 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1cccc2ccoc21 ZINC000449019800 491078928 /nfs/dbraw/zinc/07/89/28/491078928.db2.gz XSJODOJJSJLLAB-NSHDSACASA-N 1 1 228.295 3.024 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)Cc1cccc2ccoc21 ZINC000449019800 491078927 /nfs/dbraw/zinc/07/89/27/491078927.db2.gz XSJODOJJSJLLAB-NSHDSACASA-N 1 1 228.295 3.024 20 30 BGEDMO CC[N@@H+](CCc1cccc(C)c1)C[C@@H](C)C#N ZINC000449020496 397950948 /nfs/dbraw/zinc/95/09/48/397950948.db2.gz ZQPRLTFUFSZOGU-AWEZNQCLSA-N 1 1 230.355 3.019 20 30 BGEDMO CC[N@@H+](CCc1cccc(C)c1)C[C@H](C)C#N ZINC000449020505 397950612 /nfs/dbraw/zinc/95/06/12/397950612.db2.gz ZQPRLTFUFSZOGU-CQSZACIVSA-N 1 1 230.355 3.019 20 30 BGEDMO Cc1cccc(CC[N@@H+](CCC#N)CC2CC2)c1 ZINC000449022588 397950422 /nfs/dbraw/zinc/95/04/22/397950422.db2.gz JOBPUROZTQHMFV-UHFFFAOYSA-N 1 1 242.366 3.163 20 30 BGEDMO C[C@H](CC#N)[N@@H+](C)Cc1cccc2ccoc21 ZINC000449023912 388131324 /nfs/dbraw/zinc/13/13/24/388131324.db2.gz WFAGIYSCOLAVQG-LLVKDONJSA-N 1 1 228.295 3.167 20 30 BGEDMO C[C@H](CC#N)[N@H+](C)Cc1cccc2ccoc21 ZINC000449023912 388131320 /nfs/dbraw/zinc/13/13/20/388131320.db2.gz WFAGIYSCOLAVQG-LLVKDONJSA-N 1 1 228.295 3.167 20 30 BGEDMO C[C@@H](CC#N)[N@@H+](C)Cc1cccc2ccoc21 ZINC000449023913 388131860 /nfs/dbraw/zinc/13/18/60/388131860.db2.gz WFAGIYSCOLAVQG-NSHDSACASA-N 1 1 228.295 3.167 20 30 BGEDMO C[C@@H](CC#N)[N@H+](C)Cc1cccc2ccoc21 ZINC000449023913 388131858 /nfs/dbraw/zinc/13/18/58/388131858.db2.gz WFAGIYSCOLAVQG-NSHDSACASA-N 1 1 228.295 3.167 20 30 BGEDMO C=CCCC[N@H+](C)Cc1csc(C)c1 ZINC000449026738 385422016 /nfs/dbraw/zinc/42/20/16/385422016.db2.gz GRLWSEOBLABUKI-UHFFFAOYSA-N 1 1 209.358 3.455 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccnn1C1CCCC1 ZINC000449026755 385421413 /nfs/dbraw/zinc/42/14/13/385421413.db2.gz GTPSDZSYWSKPRC-UHFFFAOYSA-N 1 1 247.386 3.396 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cc(F)cc(OC)c1 ZINC000449029604 388132985 /nfs/dbraw/zinc/13/29/85/388132985.db2.gz PCOZWMNQHQYXGA-UHFFFAOYSA-N 1 1 237.318 3.232 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cc2cccnc2o1 ZINC000449030406 388132751 /nfs/dbraw/zinc/13/27/51/388132751.db2.gz RNSQORUIYFXUCH-UHFFFAOYSA-N 1 1 230.311 3.226 20 30 BGEDMO C=CCCCCC[N@H+](C)Cc1ccncc1F ZINC000449031498 385431886 /nfs/dbraw/zinc/43/18/86/385431886.db2.gz VMAYQKFSLWYOAR-UHFFFAOYSA-N 1 1 236.334 3.399 20 30 BGEDMO Cc1cccc(CC[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000449038980 388133927 /nfs/dbraw/zinc/13/39/27/388133927.db2.gz YCIGOYMWKLBGAT-AWEZNQCLSA-N 1 1 242.366 3.162 20 30 BGEDMO Cc1cccc(CC[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000449038980 388133926 /nfs/dbraw/zinc/13/39/26/388133926.db2.gz YCIGOYMWKLBGAT-AWEZNQCLSA-N 1 1 242.366 3.162 20 30 BGEDMO Cc1cccc(CC[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000449038981 388133774 /nfs/dbraw/zinc/13/37/74/388133774.db2.gz YCIGOYMWKLBGAT-CQSZACIVSA-N 1 1 242.366 3.162 20 30 BGEDMO Cc1cccc(CC[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000449038981 388133772 /nfs/dbraw/zinc/13/37/72/388133772.db2.gz YCIGOYMWKLBGAT-CQSZACIVSA-N 1 1 242.366 3.162 20 30 BGEDMO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000449094095 388141469 /nfs/dbraw/zinc/14/14/69/388141469.db2.gz ZPOOYOYPEIIFDN-CABCVRRESA-N 1 1 238.419 3.053 20 30 BGEDMO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000449094096 388141498 /nfs/dbraw/zinc/14/14/98/388141498.db2.gz ZPOOYOYPEIIFDN-GJZGRUSLSA-N 1 1 238.419 3.053 20 30 BGEDMO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCN(CC)C1 ZINC000449094097 388141609 /nfs/dbraw/zinc/14/16/09/388141609.db2.gz ZPOOYOYPEIIFDN-HUUCEWRRSA-N 1 1 238.419 3.053 20 30 BGEDMO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCN(CC)C1 ZINC000449094098 388141585 /nfs/dbraw/zinc/14/15/85/388141585.db2.gz ZPOOYOYPEIIFDN-LSDHHAIUSA-N 1 1 238.419 3.053 20 30 BGEDMO C=CCCCC[C@@H](C)[NH2+][C@H](C)Cc1cc(C)[nH]n1 ZINC000449186054 388155064 /nfs/dbraw/zinc/15/50/64/388155064.db2.gz HBTOSYMBUOSFRZ-CHWSQXEVSA-N 1 1 249.402 3.374 20 30 BGEDMO C=CCCCC[C@@H](C)[NH2+][C@@H](C)Cc1cc(C)[nH]n1 ZINC000449186055 388155049 /nfs/dbraw/zinc/15/50/49/388155049.db2.gz HBTOSYMBUOSFRZ-OLZOCXBDSA-N 1 1 249.402 3.374 20 30 BGEDMO C=CCCCC[C@H](C)[NH2+][C@H](C)Cc1cc(C)[nH]n1 ZINC000449186056 388155178 /nfs/dbraw/zinc/15/51/78/388155178.db2.gz HBTOSYMBUOSFRZ-QWHCGFSZSA-N 1 1 249.402 3.374 20 30 BGEDMO C=CCCCC[C@H](C)[NH2+][C@@H](C)Cc1cc(C)[nH]n1 ZINC000449186057 388154957 /nfs/dbraw/zinc/15/49/57/388154957.db2.gz HBTOSYMBUOSFRZ-STQMWFEESA-N 1 1 249.402 3.374 20 30 BGEDMO C=CCCCC[C@H](C)[NH2+]CCCN1CCCC1 ZINC000449221000 388159365 /nfs/dbraw/zinc/15/93/65/388159365.db2.gz RTXBWDLNDOYXNX-HNNXBMFYSA-N 1 1 238.419 3.197 20 30 BGEDMO C=CCCCC[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000449221001 388159212 /nfs/dbraw/zinc/15/92/12/388159212.db2.gz RTXBWDLNDOYXNX-OAHLLOKOSA-N 1 1 238.419 3.197 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cccc(C)c1F ZINC000449221307 388159245 /nfs/dbraw/zinc/15/92/45/388159245.db2.gz ADQVQJSWAQPMHG-UHFFFAOYSA-N 1 1 207.292 3.142 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(C)cc1OC ZINC000449222421 388159149 /nfs/dbraw/zinc/15/91/49/388159149.db2.gz CNNOUMGGOBYOQL-UHFFFAOYSA-N 1 1 219.328 3.012 20 30 BGEDMO C=C(C)C[N@@H+](C)CCc1cccc(C)c1 ZINC000449224722 388159298 /nfs/dbraw/zinc/15/92/98/388159298.db2.gz ISHVZOVRGLEZHC-UHFFFAOYSA-N 1 1 203.329 3.045 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cccc2ccoc21 ZINC000449226403 388159097 /nfs/dbraw/zinc/15/90/97/388159097.db2.gz MSHWDROVGVUOQS-UHFFFAOYSA-N 1 1 215.296 3.441 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccnn1C1CCCC1 ZINC000449229308 384447569 /nfs/dbraw/zinc/44/75/69/384447569.db2.gz ZTEPAXGAHSHGHA-UHFFFAOYSA-N 1 1 233.359 3.006 20 30 BGEDMO C=C(C)C[N@@H+](C)Cc1ccnn1C1CCCC1 ZINC000449229308 384447564 /nfs/dbraw/zinc/44/75/64/384447564.db2.gz ZTEPAXGAHSHGHA-UHFFFAOYSA-N 1 1 233.359 3.006 20 30 BGEDMO C=CC[N@H+](Cc1cccc(C)c1F)C1CC1 ZINC000449237838 388160342 /nfs/dbraw/zinc/16/03/42/388160342.db2.gz PCRGWXVDQGCIBO-UHFFFAOYSA-N 1 1 219.303 3.285 20 30 BGEDMO C=CC[N@H+](CCc1cccc(C)c1)C1CC1 ZINC000449238099 388160387 /nfs/dbraw/zinc/16/03/87/388160387.db2.gz QAYHNRMTVNLMSC-UHFFFAOYSA-N 1 1 215.340 3.188 20 30 BGEDMO C=CC[N@@H+](Cc1ccnn1C1CCCC1)C1CC1 ZINC000449240191 388160866 /nfs/dbraw/zinc/16/08/66/388160866.db2.gz YCHAMZKJNYHZEI-UHFFFAOYSA-N 1 1 245.370 3.149 20 30 BGEDMO C=CC[N@H+](Cc1ccnn1C1CCCC1)C1CC1 ZINC000449240191 388160865 /nfs/dbraw/zinc/16/08/65/388160865.db2.gz YCHAMZKJNYHZEI-UHFFFAOYSA-N 1 1 245.370 3.149 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc2ccoc21 ZINC000449242475 388160757 /nfs/dbraw/zinc/16/07/57/388160757.db2.gz FVTXBNWZJQSZSN-CYBMUJFWSA-N 1 1 228.295 3.215 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc2ccoc21 ZINC000449242476 388161238 /nfs/dbraw/zinc/16/12/38/388161238.db2.gz FVTXBNWZJQSZSN-ZDUSSCGKSA-N 1 1 228.295 3.215 20 30 BGEDMO C=CC[N@H+](C)Cc1cc2ccccc2c(OC)c1 ZINC000449256419 388163830 /nfs/dbraw/zinc/16/38/30/388163830.db2.gz DBPLPIUIEDQFJK-UHFFFAOYSA-N 1 1 241.334 3.466 20 30 BGEDMO C=CC[N@H+](C)Cc1cc2ccccc2cc1OC ZINC000449257562 388163690 /nfs/dbraw/zinc/16/36/90/388163690.db2.gz JCAQJJZBFQUZJD-UHFFFAOYSA-N 1 1 241.334 3.466 20 30 BGEDMO C=CC[N@H+](C)C[C@H](C)c1cc(F)cc(F)c1 ZINC000449260346 388164127 /nfs/dbraw/zinc/16/41/27/388164127.db2.gz VRGWIAZXIYCZEM-JTQLQIEISA-N 1 1 225.282 3.186 20 30 BGEDMO C=CC[N@H+](C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449260347 388164258 /nfs/dbraw/zinc/16/42/58/388164258.db2.gz VRGWIAZXIYCZEM-SNVBAGLBSA-N 1 1 225.282 3.186 20 30 BGEDMO C=CC[N@H+](C)Cc1cccc2c(OC)cccc12 ZINC000449260975 397952883 /nfs/dbraw/zinc/95/28/83/397952883.db2.gz YOPOISWPIPMCLP-UHFFFAOYSA-N 1 1 241.334 3.466 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(C)cc1OC ZINC000449267970 388164907 /nfs/dbraw/zinc/16/49/07/388164907.db2.gz CPGWENIDOIFQMM-UHFFFAOYSA-N 1 1 219.328 3.012 20 30 BGEDMO C=CCC[N@H+](C)Cc1cccc2ccoc21 ZINC000449268102 388164981 /nfs/dbraw/zinc/16/49/81/388164981.db2.gz DMRZWVRGHUQPGD-UHFFFAOYSA-N 1 1 215.296 3.441 20 30 BGEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CCCSCC#N)C1 ZINC000449269789 201854803 /nfs/dbraw/zinc/85/48/03/201854803.db2.gz FKSZYCJMMKFEOD-QWHCGFSZSA-N 1 1 240.416 3.144 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccnn1C1CCCC1 ZINC000449269914 388164384 /nfs/dbraw/zinc/16/43/84/388164384.db2.gz OQVCZLSQEHVBGN-UHFFFAOYSA-N 1 1 233.359 3.006 20 30 BGEDMO C=CCC[N@H+](C)Cc1cccc(C)c1F ZINC000449271190 388165761 /nfs/dbraw/zinc/16/57/61/388165761.db2.gz RZKXBKQLEIPVRY-UHFFFAOYSA-N 1 1 207.292 3.142 20 30 BGEDMO C=CCC[N@H+](C)CCc1cccc(C)c1 ZINC000449273804 384638741 /nfs/dbraw/zinc/63/87/41/384638741.db2.gz ZYSZJHAODOAEDM-UHFFFAOYSA-N 1 1 203.329 3.045 20 30 BGEDMO C=CC[N@H+](CCOC)Cc1cccc2ccoc21 ZINC000449284580 388166938 /nfs/dbraw/zinc/16/69/38/388166938.db2.gz OHSRSERCJCPITA-UHFFFAOYSA-N 1 1 245.322 3.067 20 30 BGEDMO C=CCCCC[C@@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC000449296183 388169004 /nfs/dbraw/zinc/16/90/04/388169004.db2.gz AIJQMHXLEKAJLG-LLVKDONJSA-N 1 1 249.358 3.172 20 30 BGEDMO C=CCCCC[C@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC000449296184 388169271 /nfs/dbraw/zinc/16/92/71/388169271.db2.gz AIJQMHXLEKAJLG-NSHDSACASA-N 1 1 249.358 3.172 20 30 BGEDMO C=CCC[C@@H](CCC)[NH2+]Cc1noc(C2CC2)n1 ZINC000449304217 201863750 /nfs/dbraw/zinc/86/37/50/201863750.db2.gz YYKYBSKFKLFDHX-GFCCVEGCSA-N 1 1 249.358 3.172 20 30 BGEDMO C=CCC[C@H](CCC)[NH2+]Cc1noc(C2CC2)n1 ZINC000449304218 388170366 /nfs/dbraw/zinc/17/03/66/388170366.db2.gz YYKYBSKFKLFDHX-LBPRGKRZSA-N 1 1 249.358 3.172 20 30 BGEDMO C[N@@H+](Cc1cccc2ccoc21)CC(C)(C)C#N ZINC000449338137 388176145 /nfs/dbraw/zinc/17/61/45/388176145.db2.gz FCYNLWRGNFRIAU-UHFFFAOYSA-N 1 1 242.322 3.414 20 30 BGEDMO Cc1cc(C[N@H+]2CCC[C@](C)(F)C2)ccc1C#N ZINC000449347752 388748168 /nfs/dbraw/zinc/74/81/68/388748168.db2.gz DTJYGOYATCKYAY-HNNXBMFYSA-N 1 1 246.329 3.191 20 30 BGEDMO Cc1cc(C[N@H+]2CCC[C@@](C)(F)C2)ccc1C#N ZINC000449347753 388748660 /nfs/dbraw/zinc/74/86/60/388748660.db2.gz DTJYGOYATCKYAY-OAHLLOKOSA-N 1 1 246.329 3.191 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000449351474 388178656 /nfs/dbraw/zinc/17/86/56/388178656.db2.gz PTKNGCMFMJKZCT-CYBMUJFWSA-N 1 1 226.339 3.140 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@](C)(F)C1 ZINC000449351475 388178730 /nfs/dbraw/zinc/17/87/30/388178730.db2.gz PTKNGCMFMJKZCT-ZDUSSCGKSA-N 1 1 226.339 3.140 20 30 BGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H]1C1CC1 ZINC000449427676 388202508 /nfs/dbraw/zinc/20/25/08/388202508.db2.gz SJQHHNPCOTUYPA-HNNXBMFYSA-N 1 1 243.350 3.236 20 30 BGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000449427677 388202714 /nfs/dbraw/zinc/20/27/14/388202714.db2.gz SJQHHNPCOTUYPA-OAHLLOKOSA-N 1 1 243.350 3.236 20 30 BGEDMO C=CCOc1cccc(C[N@H+]2CC[C@H]2C2CC2)c1 ZINC000449430055 388204266 /nfs/dbraw/zinc/20/42/66/388204266.db2.gz YYAWDHCUILCLRB-INIZCTEOSA-N 1 1 243.350 3.236 20 30 BGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H]2C2CC2)c1 ZINC000449430056 201919280 /nfs/dbraw/zinc/91/92/80/201919280.db2.gz YYAWDHCUILCLRB-MRXNPFEDSA-N 1 1 243.350 3.236 20 30 BGEDMO C=C(C)CC[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000449470998 388212777 /nfs/dbraw/zinc/21/27/77/388212777.db2.gz BWWJZCYTWUOBLG-UHFFFAOYSA-N 1 1 241.338 3.133 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000449539987 388227485 /nfs/dbraw/zinc/22/74/85/388227485.db2.gz MHKPFNYRZZPSFI-CABCVRRESA-N 1 1 246.398 3.437 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000449539988 388227348 /nfs/dbraw/zinc/22/73/48/388227348.db2.gz MHKPFNYRZZPSFI-GJZGRUSLSA-N 1 1 246.398 3.437 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000449539989 388227623 /nfs/dbraw/zinc/22/76/23/388227623.db2.gz MHKPFNYRZZPSFI-HUUCEWRRSA-N 1 1 246.398 3.437 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000449539990 388227471 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3.009 20 30 BGEDMO C=C(C)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451841570 388299486 /nfs/dbraw/zinc/29/94/86/388299486.db2.gz PXVALPYYJGLMET-CYBMUJFWSA-N 1 1 217.312 3.383 20 30 BGEDMO C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451841571 388299449 /nfs/dbraw/zinc/29/94/49/388299449.db2.gz PXVALPYYJGLMET-ZDUSSCGKSA-N 1 1 217.312 3.383 20 30 BGEDMO N#CCCC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451841584 388299914 /nfs/dbraw/zinc/29/99/14/388299914.db2.gz QDJIBQNAXOVGFD-CYBMUJFWSA-N 1 1 230.311 3.110 20 30 BGEDMO N#CCCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451841584 388299913 /nfs/dbraw/zinc/29/99/13/388299913.db2.gz QDJIBQNAXOVGFD-CYBMUJFWSA-N 1 1 230.311 3.110 20 30 BGEDMO N#CCCC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451841585 388299525 /nfs/dbraw/zinc/29/95/25/388299525.db2.gz QDJIBQNAXOVGFD-ZDUSSCGKSA-N 1 1 230.311 3.110 20 30 BGEDMO N#CCCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451841585 388299524 /nfs/dbraw/zinc/29/95/24/388299524.db2.gz QDJIBQNAXOVGFD-ZDUSSCGKSA-N 1 1 230.311 3.110 20 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C=CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451878507 388302928 /nfs/dbraw/zinc/30/29/28/388302928.db2.gz NCDPBFTZFLGYTN-CQSZACIVSA-N 1 1 241.338 3.276 20 30 BGEDMO C=CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451878507 388302926 /nfs/dbraw/zinc/30/29/26/388302926.db2.gz NCDPBFTZFLGYTN-CQSZACIVSA-N 1 1 241.338 3.276 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451906072 385888663 /nfs/dbraw/zinc/88/86/63/385888663.db2.gz DWRWCTJRZRFWMG-CABCVRRESA-N 1 1 237.387 3.234 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451906073 385887373 /nfs/dbraw/zinc/88/73/73/385887373.db2.gz DWRWCTJRZRFWMG-GJZGRUSLSA-N 1 1 237.387 3.234 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451906074 385888574 /nfs/dbraw/zinc/88/85/74/385888574.db2.gz DWRWCTJRZRFWMG-HUUCEWRRSA-N 1 1 237.387 3.234 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451906079 385888170 /nfs/dbraw/zinc/88/81/70/385888170.db2.gz DWRWCTJRZRFWMG-LSDHHAIUSA-N 1 1 237.387 3.234 20 30 BGEDMO C=CCCCCC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451912682 387677784 /nfs/dbraw/zinc/67/77/84/387677784.db2.gz UMTYGJFIWNKWMA-HNNXBMFYSA-N 1 1 237.387 3.235 20 30 BGEDMO C=CCCCCC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451912683 387677428 /nfs/dbraw/zinc/67/74/28/387677428.db2.gz UMTYGJFIWNKWMA-OAHLLOKOSA-N 1 1 237.387 3.235 20 30 BGEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CC2(C#N)CCC2)C1 ZINC000451952628 387686790 /nfs/dbraw/zinc/68/67/90/387686790.db2.gz GVQBYNUZUWISBI-QWHCGFSZSA-N 1 1 220.360 3.191 20 30 BGEDMO C=CCOCCC[N@H+]1C[C@H](CC)CC[C@@H]1C ZINC000451960191 387689521 /nfs/dbraw/zinc/68/95/21/387689521.db2.gz ZTYVDPSQOBYCOG-UONOGXRCSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451965612 387690604 /nfs/dbraw/zinc/69/06/04/387690604.db2.gz KUYQYNMFHBMMNR-CYBMUJFWSA-N 1 1 223.266 3.288 20 30 BGEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451965612 387690600 /nfs/dbraw/zinc/69/06/00/387690600.db2.gz KUYQYNMFHBMMNR-CYBMUJFWSA-N 1 1 223.266 3.288 20 30 BGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451965630 387690564 /nfs/dbraw/zinc/69/05/64/387690564.db2.gz KUYQYNMFHBMMNR-ZDUSSCGKSA-N 1 1 223.266 3.288 20 30 BGEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451965630 387690561 /nfs/dbraw/zinc/69/05/61/387690561.db2.gz KUYQYNMFHBMMNR-ZDUSSCGKSA-N 1 1 223.266 3.288 20 30 BGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1C ZINC000451968730 387689929 /nfs/dbraw/zinc/68/99/29/387689929.db2.gz JHXUVTYIOXHPHE-AWEZNQCLSA-N 1 1 219.303 3.457 20 30 BGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1C ZINC000451968735 387690438 /nfs/dbraw/zinc/69/04/38/387690438.db2.gz JHXUVTYIOXHPHE-CQSZACIVSA-N 1 1 219.303 3.457 20 30 BGEDMO CC#CC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451975586 387693212 /nfs/dbraw/zinc/69/32/12/387693212.db2.gz VTNGVUQGMPWWFB-AWEZNQCLSA-N 1 1 235.277 3.125 20 30 BGEDMO CC#CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451975586 387693208 /nfs/dbraw/zinc/69/32/08/387693208.db2.gz VTNGVUQGMPWWFB-AWEZNQCLSA-N 1 1 235.277 3.125 20 30 BGEDMO 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C=C(CC)C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451984048 387693267 /nfs/dbraw/zinc/69/32/67/387693267.db2.gz VKPCOZBWXDEASW-CYBMUJFWSA-N 1 1 225.401 3.172 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451984049 387691665 /nfs/dbraw/zinc/69/16/65/387691665.db2.gz VKPCOZBWXDEASW-ZDUSSCGKSA-N 1 1 225.401 3.172 20 30 BGEDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1ccccc1C#N ZINC000452001944 384325486 /nfs/dbraw/zinc/32/54/86/384325486.db2.gz GLPZLZHSIAXRKS-GFCCVEGCSA-N 1 1 228.339 3.321 20 30 BGEDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1ccccc1C#N ZINC000452001945 384326716 /nfs/dbraw/zinc/32/67/16/384326716.db2.gz GLPZLZHSIAXRKS-LBPRGKRZSA-N 1 1 228.339 3.321 20 30 BGEDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1ccc(C#N)cc1 ZINC000452002830 384326237 /nfs/dbraw/zinc/32/62/37/384326237.db2.gz ICPKMTIXUAGSNW-GFCCVEGCSA-N 1 1 228.339 3.321 20 30 BGEDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1ccc(C#N)cc1 ZINC000452002832 384308504 /nfs/dbraw/zinc/30/85/04/384308504.db2.gz ICPKMTIXUAGSNW-LBPRGKRZSA-N 1 1 228.339 3.321 20 30 BGEDMO 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C=C(CC)C[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000453357791 202749833 /nfs/dbraw/zinc/74/98/33/202749833.db2.gz LOHGTZCJKSEKHJ-AWEZNQCLSA-N 1 1 241.338 3.055 20 30 BGEDMO C=C(CC)C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000453357792 388058388 /nfs/dbraw/zinc/05/83/88/388058388.db2.gz LOHGTZCJKSEKHJ-CQSZACIVSA-N 1 1 241.338 3.055 20 30 BGEDMO C=CC[C@H](C)[C@H](C)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453388526 388067616 /nfs/dbraw/zinc/06/76/16/388067616.db2.gz WPGDYYARKYGBES-KKUMJFAQSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CC[C@H](C)[C@@H](C)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453388528 388067560 /nfs/dbraw/zinc/06/75/60/388067560.db2.gz WPGDYYARKYGBES-RRFJBIMHSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CC[C@H](C)[C@H](C)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453388530 386547076 /nfs/dbraw/zinc/54/70/76/386547076.db2.gz WPGDYYARKYGBES-SOUVJXGZSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CC[C@H](C)[C@@H](C)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453388532 200791451 /nfs/dbraw/zinc/79/14/51/200791451.db2.gz 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/nfs/dbraw/zinc/36/45/92/203364592.db2.gz XPZNADGUYSGDRK-LBPRGKRZSA-N 1 1 221.319 3.265 20 30 BGEDMO C=C(C)C[N@@H+]1CCN(c2ccccc2)C[C@@H]1CC ZINC000461367845 388260407 /nfs/dbraw/zinc/26/04/07/388260407.db2.gz UYGGWZNKNDJPKB-HNNXBMFYSA-N 1 1 244.382 3.163 20 30 BGEDMO C=C(C)C[N@@H+]1CCN(c2ccccc2)C[C@H]1CC ZINC000461367846 388260468 /nfs/dbraw/zinc/26/04/68/388260468.db2.gz UYGGWZNKNDJPKB-OAHLLOKOSA-N 1 1 244.382 3.163 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@H]1CCC(C)C ZINC000462309634 388265439 /nfs/dbraw/zinc/26/54/39/388265439.db2.gz CJQNBBCAIKQYNC-AWEZNQCLSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@@H]1CCC(C)C ZINC000462309652 388265760 /nfs/dbraw/zinc/26/57/60/388265760.db2.gz CJQNBBCAIKQYNC-CQSZACIVSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@@H+](Cc1ccc(F)cc1)C(C)C ZINC000462309669 388265972 /nfs/dbraw/zinc/26/59/72/388265972.db2.gz CLKPHCINYVJHDO-UHFFFAOYSA-N 1 1 233.330 3.450 20 30 BGEDMO CC#CCC[N@@H+](CC(C)C)C1CCCC1 ZINC000462309775 388265784 /nfs/dbraw/zinc/26/57/84/388265784.db2.gz DWEXWMJFVBHGSH-UHFFFAOYSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@@H+]1CCC[C@](C)(CCC)C1 ZINC000462309789 388265365 /nfs/dbraw/zinc/26/53/65/388265365.db2.gz DYODGKGERSHAJM-AWEZNQCLSA-N 1 1 207.361 3.302 20 30 BGEDMO CC#CCC[N@@H+]1CCC[C@@](C)(CCC)C1 ZINC000462309790 388265943 /nfs/dbraw/zinc/26/59/43/388265943.db2.gz DYODGKGERSHAJM-CQSZACIVSA-N 1 1 207.361 3.302 20 30 BGEDMO CC#CCC[N@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000462310310 388265521 /nfs/dbraw/zinc/26/55/21/388265521.db2.gz GEUKETJMMVNKBJ-CHWSQXEVSA-N 1 1 207.361 3.299 20 30 BGEDMO CC#CCC[N@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000462310312 388265682 /nfs/dbraw/zinc/26/56/82/388265682.db2.gz GEUKETJMMVNKBJ-OLZOCXBDSA-N 1 1 207.361 3.299 20 30 BGEDMO CC#CCC[N@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000462310315 388265553 /nfs/dbraw/zinc/26/55/53/388265553.db2.gz GEUKETJMMVNKBJ-QWHCGFSZSA-N 1 1 207.361 3.299 20 30 BGEDMO CC#CCC[N@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000462310317 388265230 /nfs/dbraw/zinc/26/52/30/388265230.db2.gz GEUKETJMMVNKBJ-STQMWFEESA-N 1 1 207.361 3.299 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000462310488 388265835 /nfs/dbraw/zinc/26/58/35/388265835.db2.gz CVCOGNWOZHALRV-KRWDZBQOSA-N 1 1 241.378 3.497 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000462310495 526308365 /nfs/dbraw/zinc/30/83/65/526308365.db2.gz CVCOGNWOZHALRV-QGZVFWFLSA-N 1 1 241.378 3.497 20 30 BGEDMO CC#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000462310604 388265737 /nfs/dbraw/zinc/26/57/37/388265737.db2.gz DKEFOLINCRJWLY-AWEZNQCLSA-N 1 1 231.314 3.028 20 30 BGEDMO CC#CCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000462310605 388265265 /nfs/dbraw/zinc/26/52/65/388265265.db2.gz DKEFOLINCRJWLY-CQSZACIVSA-N 1 1 231.314 3.028 20 30 BGEDMO CC#CCC[N@@H+](C)C1CCC(C)(C)CC1 ZINC000462311747 388265516 /nfs/dbraw/zinc/26/55/16/388265516.db2.gz GCKIWJVXLNUWTF-UHFFFAOYSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000462311781 388265283 /nfs/dbraw/zinc/26/52/83/388265283.db2.gz GLTHFCACQPJFIV-INIZCTEOSA-N 1 1 227.351 3.063 20 30 BGEDMO CC#CCC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000462311782 388265742 /nfs/dbraw/zinc/26/57/42/388265742.db2.gz GLTHFCACQPJFIV-MRXNPFEDSA-N 1 1 227.351 3.063 20 30 BGEDMO CC#CCC[N@@H+](CC(C)C)CC(C)(C)C ZINC000462311867 384222629 /nfs/dbraw/zinc/22/26/29/384222629.db2.gz GSGYADWYRWBOSH-UHFFFAOYSA-N 1 1 209.377 3.404 20 30 BGEDMO CC#CCC[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000462312163 388265617 /nfs/dbraw/zinc/26/56/17/388265617.db2.gz COUJANQUBDKPIS-GDBMZVCRSA-N 1 1 227.351 3.278 20 30 BGEDMO CC#CCC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000462312164 388265851 /nfs/dbraw/zinc/26/58/51/388265851.db2.gz COUJANQUBDKPIS-GOEBONIOSA-N 1 1 227.351 3.278 20 30 BGEDMO CC#CCC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000462312165 388265495 /nfs/dbraw/zinc/26/54/95/388265495.db2.gz COUJANQUBDKPIS-HOCLYGCPSA-N 1 1 227.351 3.278 20 30 BGEDMO CC#CCC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000462312166 388265800 /nfs/dbraw/zinc/26/58/00/388265800.db2.gz COUJANQUBDKPIS-ZBFHGGJFSA-N 1 1 227.351 3.278 20 30 BGEDMO CC#CCC[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000462312263 388265651 /nfs/dbraw/zinc/26/56/51/388265651.db2.gz GGEGKDUKAMVELQ-AWEZNQCLSA-N 1 1 215.340 3.401 20 30 BGEDMO CC#CCC[N@@H+](C)[C@H](C)c1ccccc1C ZINC000462312264 388265361 /nfs/dbraw/zinc/26/53/61/388265361.db2.gz GGEGKDUKAMVELQ-CQSZACIVSA-N 1 1 215.340 3.401 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000462312826 384225727 /nfs/dbraw/zinc/22/57/27/384225727.db2.gz AARYKCOSWBOXNH-INIZCTEOSA-N 1 1 245.341 3.246 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000462312827 384218732 /nfs/dbraw/zinc/21/87/32/384218732.db2.gz AARYKCOSWBOXNH-MRXNPFEDSA-N 1 1 245.341 3.246 20 30 BGEDMO CC#CCC[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000462313884 388265273 /nfs/dbraw/zinc/26/52/73/388265273.db2.gz JXRVARUKKNPNKC-UHFFFAOYSA-N 1 1 233.330 3.450 20 30 BGEDMO CC#CCC[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000462314238 388265712 /nfs/dbraw/zinc/26/57/12/388265712.db2.gz JDZYYYOFOJUXBV-UHFFFAOYSA-N 1 1 219.372 3.443 20 30 BGEDMO CC#CCC[N@@H+](Cc1ccccc1F)C(C)C ZINC000462314620 388265844 /nfs/dbraw/zinc/26/58/44/388265844.db2.gz OGJFSEQIBOKHJH-UHFFFAOYSA-N 1 1 233.330 3.450 20 30 BGEDMO CC#CCC[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000462315804 388265606 /nfs/dbraw/zinc/26/56/06/388265606.db2.gz LJYLTQNZQAJEMJ-LLVKDONJSA-N 1 1 249.304 3.297 20 30 BGEDMO CC#CCC[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000462315804 388265604 /nfs/dbraw/zinc/26/56/04/388265604.db2.gz LJYLTQNZQAJEMJ-LLVKDONJSA-N 1 1 249.304 3.297 20 30 BGEDMO CC#CCC[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000462315821 388265414 /nfs/dbraw/zinc/26/54/14/388265414.db2.gz LJYLTQNZQAJEMJ-NSHDSACASA-N 1 1 249.304 3.297 20 30 BGEDMO CC#CCC[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000462315821 388265412 /nfs/dbraw/zinc/26/54/12/388265412.db2.gz LJYLTQNZQAJEMJ-NSHDSACASA-N 1 1 249.304 3.297 20 30 BGEDMO CC#CCC[N@H+](C)Cc1ccc(CC)cc1 ZINC000462315877 388265332 /nfs/dbraw/zinc/26/53/32/388265332.db2.gz RHGCVYNABSLRJY-UHFFFAOYSA-N 1 1 215.340 3.094 20 30 BGEDMO CC#CCC[N@@H+](CC1CCCCC1)C1CC1 ZINC000462317420 388265636 /nfs/dbraw/zinc/26/56/36/388265636.db2.gz SYEGFGXKRQCTAN-UHFFFAOYSA-N 1 1 219.372 3.445 20 30 BGEDMO C=CC[N@H+](CCC#CC)Cc1ccccc1F ZINC000462318631 388265968 /nfs/dbraw/zinc/26/59/68/388265968.db2.gz OSUYPKRBXCKIPL-UHFFFAOYSA-N 1 1 231.314 3.227 20 30 BGEDMO C=CC[N@@H+](CCC#CC)Cc1ccccc1F ZINC000462318631 388265965 /nfs/dbraw/zinc/26/59/65/388265965.db2.gz OSUYPKRBXCKIPL-UHFFFAOYSA-N 1 1 231.314 3.227 20 30 BGEDMO CC#CCC[N@H+]1CCSC2(CCCCC2)C1 ZINC000462318657 388265699 /nfs/dbraw/zinc/26/56/99/388265699.db2.gz PCMPQYFDPFWLDX-UHFFFAOYSA-N 1 1 237.412 3.152 20 30 BGEDMO C=CC[N@H+](CCC(C)(C)O)CC1CCCCC1 ZINC000462318658 388265511 /nfs/dbraw/zinc/26/55/11/388265511.db2.gz PDOUEMMFSDQVBD-UHFFFAOYSA-N 1 1 239.403 3.216 20 30 BGEDMO CC#CCC[N@@H+]1CCC[C@@H]1CCCCC ZINC000462318785 388265419 /nfs/dbraw/zinc/26/54/19/388265419.db2.gz XIQGTRVPEWJDPJ-AWEZNQCLSA-N 1 1 207.361 3.445 20 30 BGEDMO CC#CCC[N@@H+]1CCC[C@H]1CCCCC ZINC000462318786 388265910 /nfs/dbraw/zinc/26/59/10/388265910.db2.gz XIQGTRVPEWJDPJ-CQSZACIVSA-N 1 1 207.361 3.445 20 30 BGEDMO CC#CCC[N@H+]1CCCC2(CCCCC2)C1 ZINC000462319009 388265312 /nfs/dbraw/zinc/26/53/12/388265312.db2.gz GPGFGCFBAUKVAO-UHFFFAOYSA-N 1 1 219.372 3.446 20 30 BGEDMO CC#CCC[N@@H+](C)CCCCc1ccccc1 ZINC000462319015 388265342 /nfs/dbraw/zinc/26/53/42/388265342.db2.gz GRXBMXUPVCJMQU-UHFFFAOYSA-N 1 1 229.367 3.355 20 30 BGEDMO CC#CCC[N@@H+](Cc1ccccc1C)C1CC1 ZINC000462319167 388265564 /nfs/dbraw/zinc/26/55/64/388265564.db2.gz USYLJDHYUSSSSI-UHFFFAOYSA-N 1 1 227.351 3.373 20 30 BGEDMO CC#CCC[N@H+](CC)Cc1ccccc1C ZINC000462319228 388265863 /nfs/dbraw/zinc/26/58/63/388265863.db2.gz ZRLKQYHFNWGVNK-UHFFFAOYSA-N 1 1 215.340 3.230 20 30 BGEDMO CC#CCC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000462319364 388265348 /nfs/dbraw/zinc/26/53/48/388265348.db2.gz XTEJSOVVCSUIOG-AWEZNQCLSA-N 1 1 231.314 3.028 20 30 BGEDMO CC#CCC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000462319365 388265390 /nfs/dbraw/zinc/26/53/90/388265390.db2.gz XTEJSOVVCSUIOG-CQSZACIVSA-N 1 1 231.314 3.028 20 30 BGEDMO CC#CCC[N@@H+]1CCC[C@H]1[C@@H](C)CCC ZINC000462319454 388265772 /nfs/dbraw/zinc/26/57/72/388265772.db2.gz ZBDDOFUFBBSYEL-KBPBESRZSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@@H+]1CCC[C@H]1[C@H](C)CCC ZINC000462319455 388265367 /nfs/dbraw/zinc/26/53/67/388265367.db2.gz ZBDDOFUFBBSYEL-KGLIPLIRSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@@H+]1CCC[C@@H]1[C@@H](C)CCC ZINC000462319456 388265611 /nfs/dbraw/zinc/26/56/11/388265611.db2.gz ZBDDOFUFBBSYEL-UONOGXRCSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@@H+]1CCC[C@@H]1[C@H](C)CCC ZINC000462319457 388265316 /nfs/dbraw/zinc/26/53/16/388265316.db2.gz ZBDDOFUFBBSYEL-ZIAGYGMSSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000462319690 388265351 /nfs/dbraw/zinc/26/53/51/388265351.db2.gz VLNGZAOMRRTIGZ-INIZCTEOSA-N 1 1 229.367 3.353 20 30 BGEDMO CC#CCC[N@H+](C)[C@H](CC)Cc1ccccc1 ZINC000462319691 388265214 /nfs/dbraw/zinc/26/52/14/388265214.db2.gz VLNGZAOMRRTIGZ-MRXNPFEDSA-N 1 1 229.367 3.353 20 30 BGEDMO CC#CCC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000462319694 388265927 /nfs/dbraw/zinc/26/59/27/388265927.db2.gz VMBSNZARYJPLGC-HNNXBMFYSA-N 1 1 229.367 3.271 20 30 BGEDMO CC#CCC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000462319695 388265623 /nfs/dbraw/zinc/26/56/23/388265623.db2.gz VMBSNZARYJPLGC-OAHLLOKOSA-N 1 1 229.367 3.271 20 30 BGEDMO CC#CCC[N@@H+](C)CCCOc1ccccc1C ZINC000462319775 388265501 /nfs/dbraw/zinc/26/55/01/388265501.db2.gz VZCWWBSFJPJNEX-UHFFFAOYSA-N 1 1 245.366 3.109 20 30 BGEDMO CC#CCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000462320051 388265707 /nfs/dbraw/zinc/26/57/07/388265707.db2.gz QBULFIOZDOJXJP-HNNXBMFYSA-N 1 1 245.341 3.104 20 30 BGEDMO CC#CCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000462320052 388265373 /nfs/dbraw/zinc/26/53/73/388265373.db2.gz QBULFIOZDOJXJP-OAHLLOKOSA-N 1 1 245.341 3.104 20 30 BGEDMO CC#CCC[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000462320055 388265371 /nfs/dbraw/zinc/26/53/71/388265371.db2.gz QCKDQEYKHCXPDT-DOTOQJQBSA-N 1 1 241.378 3.353 20 30 BGEDMO CC#CCC[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000462320056 388265725 /nfs/dbraw/zinc/26/57/25/388265725.db2.gz QCKDQEYKHCXPDT-NVXWUHKLSA-N 1 1 241.378 3.353 20 30 BGEDMO CC#CCC[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000462320057 388265641 /nfs/dbraw/zinc/26/56/41/388265641.db2.gz QCKDQEYKHCXPDT-RDJZCZTQSA-N 1 1 241.378 3.353 20 30 BGEDMO CC#CCC[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000462320058 388265658 /nfs/dbraw/zinc/26/56/58/388265658.db2.gz QCKDQEYKHCXPDT-WBVHZDCISA-N 1 1 241.378 3.353 20 30 BGEDMO CC#CCC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000462320893 388266640 /nfs/dbraw/zinc/26/66/40/388266640.db2.gz SZHJEWANXFSZGJ-DZGCQCFKSA-N 1 1 245.341 3.417 20 30 BGEDMO CC#CCC[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000462320894 388266240 /nfs/dbraw/zinc/26/62/40/388266240.db2.gz SZHJEWANXFSZGJ-HIFRSBDPSA-N 1 1 245.341 3.417 20 30 BGEDMO CC#CCC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000462320895 388266348 /nfs/dbraw/zinc/26/63/48/388266348.db2.gz SZHJEWANXFSZGJ-UKRRQHHQSA-N 1 1 245.341 3.417 20 30 BGEDMO CC#CCC[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000462320896 388266454 /nfs/dbraw/zinc/26/64/54/388266454.db2.gz SZHJEWANXFSZGJ-ZFWWWQNUSA-N 1 1 245.341 3.417 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000462321017 388266458 /nfs/dbraw/zinc/26/64/58/388266458.db2.gz LPGDBDOMPVJHLX-CYBMUJFWSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000462321019 388266233 /nfs/dbraw/zinc/26/62/33/388266233.db2.gz LPGDBDOMPVJHLX-ZDUSSCGKSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000462322342 388266483 /nfs/dbraw/zinc/26/64/83/388266483.db2.gz YAGWGYSAJLDJAG-UHFFFAOYSA-N 1 1 245.341 3.451 20 30 BGEDMO CC#CCC[N@H+](CCC)CCc1cccc(F)c1 ZINC000462322788 388266810 /nfs/dbraw/zinc/26/68/10/388266810.db2.gz GBRSBOXCGRFHRB-UHFFFAOYSA-N 1 1 247.357 3.494 20 30 BGEDMO CC#CCC[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000462322906 388266870 /nfs/dbraw/zinc/26/68/70/388266870.db2.gz RRNNCLFBDGOBOB-HNNXBMFYSA-N 1 1 227.351 3.198 20 30 BGEDMO CC#CCC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000462322907 388266503 /nfs/dbraw/zinc/26/65/03/388266503.db2.gz RRNNCLFBDGOBOB-OAHLLOKOSA-N 1 1 227.351 3.198 20 30 BGEDMO CC#CCC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000462323750 388266230 /nfs/dbraw/zinc/26/62/30/388266230.db2.gz VLDIZIHDCSGXSN-LLVKDONJSA-N 1 1 237.293 3.371 20 30 BGEDMO CC#CCC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000462323750 388266228 /nfs/dbraw/zinc/26/62/28/388266228.db2.gz VLDIZIHDCSGXSN-LLVKDONJSA-N 1 1 237.293 3.371 20 30 BGEDMO CC#CCC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000462323751 388266909 /nfs/dbraw/zinc/26/69/09/388266909.db2.gz VLDIZIHDCSGXSN-NSHDSACASA-N 1 1 237.293 3.371 20 30 BGEDMO CC#CCC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000462323751 388266907 /nfs/dbraw/zinc/26/69/07/388266907.db2.gz VLDIZIHDCSGXSN-NSHDSACASA-N 1 1 237.293 3.371 20 30 BGEDMO CC#CCC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000462324064 388266365 /nfs/dbraw/zinc/26/63/65/388266365.db2.gz KAIKSUBQQQTPGW-UHFFFAOYSA-N 1 1 245.341 3.246 20 30 BGEDMO CC#CCC[N@@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000462324311 388266709 /nfs/dbraw/zinc/26/67/09/388266709.db2.gz XNTAPMBCOOLGEW-KBPBESRZSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@@H+]1CCCC[C@H]1[C@H](C)CC ZINC000462324312 388266411 /nfs/dbraw/zinc/26/64/11/388266411.db2.gz XNTAPMBCOOLGEW-KGLIPLIRSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@@H+]1CCCC[C@@H]1[C@@H](C)CC ZINC000462324313 388266560 /nfs/dbraw/zinc/26/65/60/388266560.db2.gz XNTAPMBCOOLGEW-UONOGXRCSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000462324314 388266647 /nfs/dbraw/zinc/26/66/47/388266647.db2.gz XNTAPMBCOOLGEW-ZIAGYGMSSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000462324502 388266341 /nfs/dbraw/zinc/26/63/41/388266341.db2.gz KPFAYUPXSMXDQI-INIZCTEOSA-N 1 1 245.341 3.246 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000462324503 388266474 /nfs/dbraw/zinc/26/64/74/388266474.db2.gz KPFAYUPXSMXDQI-MRXNPFEDSA-N 1 1 245.341 3.246 20 30 BGEDMO CC#CCC[N@H+](CCC)Cc1ccccc1 ZINC000462324833 388266923 /nfs/dbraw/zinc/26/69/23/388266923.db2.gz GGMGDSCXKFKRCL-UHFFFAOYSA-N 1 1 215.340 3.312 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000462325317 388266543 /nfs/dbraw/zinc/26/65/43/388266543.db2.gz NQHNWUWJENTIKH-KRWDZBQOSA-N 1 1 241.378 3.355 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000462325318 388266774 /nfs/dbraw/zinc/26/67/74/388266774.db2.gz NQHNWUWJENTIKH-QGZVFWFLSA-N 1 1 241.378 3.355 20 30 BGEDMO CC#CCC[N@H+](CCC)Cc1ccc(F)cc1 ZINC000462325562 388266491 /nfs/dbraw/zinc/26/64/91/388266491.db2.gz OGSBEBCFJUMXMG-UHFFFAOYSA-N 1 1 233.330 3.451 20 30 BGEDMO CC#CCC[N@H+](C)C1CCC(CC)CC1 ZINC000462326210 388266495 /nfs/dbraw/zinc/26/64/95/388266495.db2.gz RRYGTVIYFGCGNB-UHFFFAOYSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000462326842 388266462 /nfs/dbraw/zinc/26/64/62/388266462.db2.gz MFQXVSZMQKJFLM-HNNXBMFYSA-N 1 1 245.366 3.109 20 30 BGEDMO CC#CCC[N@H+](CCOC)[C@H](C)c1ccccc1 ZINC000462326843 388266209 /nfs/dbraw/zinc/26/62/09/388266209.db2.gz MFQXVSZMQKJFLM-OAHLLOKOSA-N 1 1 245.366 3.109 20 30 BGEDMO CC#CCC[N@@H+](C)CCC1CCCCC1 ZINC000462327092 388266512 /nfs/dbraw/zinc/26/65/12/388266512.db2.gz MUPVRHYVVRDVBU-UHFFFAOYSA-N 1 1 207.361 3.302 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000462327118 388266591 /nfs/dbraw/zinc/26/65/91/388266591.db2.gz MZZGVKYQILCULG-AWEZNQCLSA-N 1 1 207.361 3.158 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000462327119 388266864 /nfs/dbraw/zinc/26/68/64/388266864.db2.gz MZZGVKYQILCULG-CQSZACIVSA-N 1 1 207.361 3.158 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000462328166 388266416 /nfs/dbraw/zinc/26/64/16/388266416.db2.gz QTVBRCCKADORRR-AWEZNQCLSA-N 1 1 207.361 3.158 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000462328167 388266514 /nfs/dbraw/zinc/26/65/14/388266514.db2.gz QTVBRCCKADORRR-CQSZACIVSA-N 1 1 207.361 3.158 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000462328189 388266728 /nfs/dbraw/zinc/26/67/28/388266728.db2.gz RBHYWWGOTABSOI-HNNXBMFYSA-N 1 1 219.372 3.445 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000462328190 388266385 /nfs/dbraw/zinc/26/63/85/388266385.db2.gz RBHYWWGOTABSOI-OAHLLOKOSA-N 1 1 219.372 3.445 20 30 BGEDMO CC#CCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000462328479 388266789 /nfs/dbraw/zinc/26/67/89/388266789.db2.gz SEDQEGFPYFQARS-UHFFFAOYSA-N 1 1 219.372 3.445 20 30 BGEDMO CC#CCC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000462328656 388266215 /nfs/dbraw/zinc/26/62/15/388266215.db2.gz SQADSIKMIVLDOM-GDBMZVCRSA-N 1 1 227.351 3.278 20 30 BGEDMO CC#CCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000462328657 388266850 /nfs/dbraw/zinc/26/68/50/388266850.db2.gz SQADSIKMIVLDOM-GOEBONIOSA-N 1 1 227.351 3.278 20 30 BGEDMO CC#CCC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000462328658 388266486 /nfs/dbraw/zinc/26/64/86/388266486.db2.gz SQADSIKMIVLDOM-HOCLYGCPSA-N 1 1 227.351 3.278 20 30 BGEDMO CC#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000462328659 388266548 /nfs/dbraw/zinc/26/65/48/388266548.db2.gz SQADSIKMIVLDOM-ZBFHGGJFSA-N 1 1 227.351 3.278 20 30 BGEDMO CC#CCC[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000462329296 388266536 /nfs/dbraw/zinc/26/65/36/388266536.db2.gz VYLTZNWBRUXMJM-UHFFFAOYSA-N 1 1 245.366 3.157 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@H]1Cc1ccccc1C ZINC000462329526 388266440 /nfs/dbraw/zinc/26/64/40/388266440.db2.gz WYVDRHWAUNQJDV-KRWDZBQOSA-N 1 1 241.378 3.415 20 30 BGEDMO CC#CCC[N@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000462329527 388266568 /nfs/dbraw/zinc/26/65/68/388266568.db2.gz WYVDRHWAUNQJDV-QGZVFWFLSA-N 1 1 241.378 3.415 20 30 BGEDMO CC#CCC[N@H+](C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000462331048 388266530 /nfs/dbraw/zinc/26/65/30/388266530.db2.gz BGTQUAPTYWFACA-CABCVRRESA-N 1 1 249.398 3.069 20 30 BGEDMO CC#CCC[N@H+](C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000462331049 388266732 /nfs/dbraw/zinc/26/67/32/388266732.db2.gz BGTQUAPTYWFACA-GJZGRUSLSA-N 1 1 249.398 3.069 20 30 BGEDMO CC#CCC[N@H+](C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000462331050 388265409 /nfs/dbraw/zinc/26/54/09/388265409.db2.gz BGTQUAPTYWFACA-HUUCEWRRSA-N 1 1 249.398 3.069 20 30 BGEDMO CC#CCC[N@H+](C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000462331051 388265328 /nfs/dbraw/zinc/26/53/28/388265328.db2.gz BGTQUAPTYWFACA-LSDHHAIUSA-N 1 1 249.398 3.069 20 30 BGEDMO CC#CCC[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000462335049 388266800 /nfs/dbraw/zinc/26/68/00/388266800.db2.gz XEBXPELDMLOKON-UHFFFAOYSA-N 1 1 239.362 3.498 20 30 BGEDMO CC#CCC[N@H+]1CCCC12CCCCC2 ZINC000462338450 388266283 /nfs/dbraw/zinc/26/62/83/388266283.db2.gz ZJHAQCNRTQGIDC-UHFFFAOYSA-N 1 1 205.345 3.199 20 30 BGEDMO CC#CCC[N@@H+]1CCC[C@@H]1C(C)(C)CC ZINC000462341281 388266954 /nfs/dbraw/zinc/26/69/54/388266954.db2.gz ONLXVMIRJPSFHB-CYBMUJFWSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@@H+]1CCC[C@H]1C(C)(C)CC ZINC000462341282 388266688 /nfs/dbraw/zinc/26/66/88/388266688.db2.gz ONLXVMIRJPSFHB-ZDUSSCGKSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@@H+]1CCC[C@H](C)[C@@H]1CCC ZINC000462349236 388267342 /nfs/dbraw/zinc/26/73/42/388267342.db2.gz PYXUZYQVYIUGQS-KBPBESRZSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCC ZINC000462349237 388267484 /nfs/dbraw/zinc/26/74/84/388267484.db2.gz PYXUZYQVYIUGQS-KGLIPLIRSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@@H+]1CCC[C@H](C)[C@H]1CCC ZINC000462349239 388267600 /nfs/dbraw/zinc/26/76/00/388267600.db2.gz PYXUZYQVYIUGQS-UONOGXRCSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC ZINC000462349240 388267446 /nfs/dbraw/zinc/26/74/46/388267446.db2.gz PYXUZYQVYIUGQS-ZIAGYGMSSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@H+]1CCCC[C@H]1CC(C)C ZINC000462355273 388267474 /nfs/dbraw/zinc/26/74/74/388267474.db2.gz OLQCNIDBYNUQOH-AWEZNQCLSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@H+]1CCCC[C@@H]1CC(C)C ZINC000462355274 388267383 /nfs/dbraw/zinc/26/73/83/388267383.db2.gz OLQCNIDBYNUQOH-CQSZACIVSA-N 1 1 207.361 3.300 20 30 BGEDMO CC#CCC[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000462361985 388267435 /nfs/dbraw/zinc/26/74/35/388267435.db2.gz USGCSIFMTHQNQV-UHFFFAOYSA-N 1 1 227.351 3.193 20 30 BGEDMO C=CC[N@@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000462451966 490096085 /nfs/dbraw/zinc/09/60/85/490096085.db2.gz OVYWTKCUTWZIIY-CYBMUJFWSA-N 1 1 207.361 3.465 20 30 BGEDMO C=CC[N@@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000462451967 490096122 /nfs/dbraw/zinc/09/61/22/490096122.db2.gz OVYWTKCUTWZIIY-ZDUSSCGKSA-N 1 1 207.361 3.465 20 30 BGEDMO CC#CCC[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000462472942 388268251 /nfs/dbraw/zinc/26/82/51/388268251.db2.gz JZEUGUXQCCOLEG-INIZCTEOSA-N 1 1 227.351 3.198 20 30 BGEDMO CC#CCC[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000462472943 388268380 /nfs/dbraw/zinc/26/83/80/388268380.db2.gz JZEUGUXQCCOLEG-MRXNPFEDSA-N 1 1 227.351 3.198 20 30 BGEDMO CC[N@@H+](Cc1ccc(C#N)s1)CC(C)(C)C ZINC000462833406 398296045 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CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488450107 398270741 /nfs/dbraw/zinc/27/07/41/398270741.db2.gz PQDFOLFYVXNNIJ-MLGOLLRUSA-N 1 1 242.366 3.487 20 30 BGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488450139 398270716 /nfs/dbraw/zinc/27/07/16/398270716.db2.gz PQDFOLFYVXNNIJ-WBMJQRKESA-N 1 1 242.366 3.487 20 30 BGEDMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)ccc1C#N ZINC000488450948 398270701 /nfs/dbraw/zinc/27/07/01/398270701.db2.gz UBVWLIQTSSZQTI-AAEUAGOBSA-N 1 1 228.339 3.097 20 30 BGEDMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)ccc1C#N ZINC000488450949 398270932 /nfs/dbraw/zinc/27/09/32/398270932.db2.gz UBVWLIQTSSZQTI-DGCLKSJQSA-N 1 1 228.339 3.097 20 30 BGEDMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@H]2C)ccc1C#N ZINC000488450951 388579845 /nfs/dbraw/zinc/57/98/45/388579845.db2.gz UBVWLIQTSSZQTI-WCQYABFASA-N 1 1 228.339 3.097 20 30 BGEDMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)ccc1C#N ZINC000488450953 388579900 /nfs/dbraw/zinc/57/99/00/388579900.db2.gz UBVWLIQTSSZQTI-YPMHNXCESA-N 1 1 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20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488521363 388183959 /nfs/dbraw/zinc/18/39/59/388183959.db2.gz XNCLQCCWFKEWDP-UHFFFAOYSA-N 1 1 232.302 3.315 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000488530242 388185029 /nfs/dbraw/zinc/18/50/29/388185029.db2.gz WKVXJTMLVYLLRZ-GFCCVEGCSA-N 1 1 245.301 3.089 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000488530245 388184767 /nfs/dbraw/zinc/18/47/67/388184767.db2.gz WKVXJTMLVYLLRZ-LBPRGKRZSA-N 1 1 245.301 3.089 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488531301 388185164 /nfs/dbraw/zinc/18/51/64/388185164.db2.gz LSJUXBMNBMWHAL-UHFFFAOYSA-N 1 1 232.302 3.315 20 30 BGEDMO C=CC[N@H+](Cc1cc2ccc(F)cc2[nH]1)C1CC1 ZINC000488548885 388185822 /nfs/dbraw/zinc/18/58/22/388185822.db2.gz VSVBKWDKMMPXLK-UHFFFAOYSA-N 1 1 244.313 3.457 20 30 BGEDMO C=C(C)CN(CC)CCC[N@@H+](CC)CC(=C)C ZINC000488608481 388190841 /nfs/dbraw/zinc/19/08/41/388190841.db2.gz FIPSBAFXJSFRLL-UHFFFAOYSA-N 1 1 238.419 3.173 20 30 BGEDMO C=C(C)CN(CC)CCC[N@H+](CC)CC(=C)C ZINC000488608481 388190839 /nfs/dbraw/zinc/19/08/39/388190839.db2.gz FIPSBAFXJSFRLL-UHFFFAOYSA-N 1 1 238.419 3.173 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000488978605 388200066 /nfs/dbraw/zinc/20/00/66/388200066.db2.gz ZENFWYJPRBEEMD-CABCVRRESA-N 1 1 239.403 3.216 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000488978608 388199865 /nfs/dbraw/zinc/19/98/65/388199865.db2.gz ZENFWYJPRBEEMD-GJZGRUSLSA-N 1 1 239.403 3.216 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000488978610 388199754 /nfs/dbraw/zinc/19/97/54/388199754.db2.gz ZENFWYJPRBEEMD-HUUCEWRRSA-N 1 1 239.403 3.216 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000488978611 388199897 /nfs/dbraw/zinc/19/98/97/388199897.db2.gz ZENFWYJPRBEEMD-LSDHHAIUSA-N 1 1 239.403 3.216 20 30 BGEDMO Cc1cc(C[N@H+](C)[C@@H]2CC[C@H](C)C2)ccc1C#N ZINC000488984049 388664309 /nfs/dbraw/zinc/66/43/09/388664309.db2.gz RXRASRBJRRYLRD-BLLLJJGKSA-N 1 1 242.366 3.487 20 30 BGEDMO Cc1cc(C[N@H+](C)[C@H]2CC[C@H](C)C2)ccc1C#N ZINC000488984517 225440118 /nfs/dbraw/zinc/44/01/18/225440118.db2.gz RXRASRBJRRYLRD-LRDDRELGSA-N 1 1 242.366 3.487 20 30 BGEDMO Cc1cc(C[N@H+](C)[C@@H]2CC[C@@H](C)C2)ccc1C#N ZINC000488984519 388664888 /nfs/dbraw/zinc/66/48/88/388664888.db2.gz RXRASRBJRRYLRD-MLGOLLRUSA-N 1 1 242.366 3.487 20 30 BGEDMO Cc1cc(C[N@H+](C)[C@H]2CC[C@@H](C)C2)ccc1C#N ZINC000488984521 388665899 /nfs/dbraw/zinc/66/58/99/388665899.db2.gz RXRASRBJRRYLRD-WBMJQRKESA-N 1 1 242.366 3.487 20 30 BGEDMO C=CCCCCC[N@H+]1CCO[C@@](C)(CC)C1 ZINC000488985705 388200675 /nfs/dbraw/zinc/20/06/75/388200675.db2.gz UXMIGTYURVTWTA-AWEZNQCLSA-N 1 1 225.376 3.234 20 30 BGEDMO C=CCCCCC[N@H+]1CCO[C@](C)(CC)C1 ZINC000488985706 388201364 /nfs/dbraw/zinc/20/13/64/388201364.db2.gz UXMIGTYURVTWTA-CQSZACIVSA-N 1 1 225.376 3.234 20 30 BGEDMO C=CCCCCC[N@@H+]1CCC[C@]1(CO)CCC ZINC000488990170 388200631 /nfs/dbraw/zinc/20/06/31/388200631.db2.gz GHJKLVLUQXJOGM-HNNXBMFYSA-N 1 1 239.403 3.360 20 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C=CCCCCC[N@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000488991502 388200694 /nfs/dbraw/zinc/20/06/94/388200694.db2.gz HUVIIRSMKKJXAR-OAHLLOKOSA-N 1 1 238.419 3.005 20 30 BGEDMO C=CCCCCC[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000488992245 388200897 /nfs/dbraw/zinc/20/08/97/388200897.db2.gz ZWTHLBVFEGFXKM-MJBXVCDLSA-N 1 1 225.376 3.231 20 30 BGEDMO C=CCCCCC[N@@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000488994033 527134426 /nfs/dbraw/zinc/13/44/26/527134426.db2.gz DHXDYYJTBUUHBO-KKUMJFAQSA-N 1 1 239.403 3.214 20 30 BGEDMO C=CCCCCC[N@@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000488994034 388200787 /nfs/dbraw/zinc/20/07/87/388200787.db2.gz DHXDYYJTBUUHBO-RRFJBIMHSA-N 1 1 239.403 3.214 20 30 BGEDMO C=CCCCCC[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000488994035 388201409 /nfs/dbraw/zinc/20/14/09/388201409.db2.gz DHXDYYJTBUUHBO-SOUVJXGZSA-N 1 1 239.403 3.214 20 30 BGEDMO C=CCCCCC[N@@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000488994036 388200741 /nfs/dbraw/zinc/20/07/41/388200741.db2.gz DHXDYYJTBUUHBO-ZNMIVQPWSA-N 1 1 239.403 3.214 20 30 BGEDMO C=CCCCCC[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000488996324 388200881 /nfs/dbraw/zinc/20/08/81/388200881.db2.gz XZBMKRTVLBRXBY-KBPBESRZSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCCCC[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000488996325 388200561 /nfs/dbraw/zinc/20/05/61/388200561.db2.gz XZBMKRTVLBRXBY-KGLIPLIRSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCCCC[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000488996326 388200927 /nfs/dbraw/zinc/20/09/27/388200927.db2.gz XZBMKRTVLBRXBY-UONOGXRCSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCCCC[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000488996327 388200747 /nfs/dbraw/zinc/20/07/47/388200747.db2.gz XZBMKRTVLBRXBY-ZIAGYGMSSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCCCC[N@H+]1CCc2ncsc2C1 ZINC000488996915 388201389 /nfs/dbraw/zinc/20/13/89/388201389.db2.gz ORBZXAJRDXZDNQ-UHFFFAOYSA-N 1 1 236.384 3.248 20 30 BGEDMO C=CCCCCC[N@@H+]1CCSC[C@H](C)C1 ZINC000489004411 388201229 /nfs/dbraw/zinc/20/12/29/388201229.db2.gz CEICJINOZZNSLB-CYBMUJFWSA-N 1 1 227.417 3.418 20 30 BGEDMO C=CCCCCC[N@@H+]1CCSC[C@@H](C)C1 ZINC000489004413 388201311 /nfs/dbraw/zinc/20/13/11/388201311.db2.gz CEICJINOZZNSLB-ZDUSSCGKSA-N 1 1 227.417 3.418 20 30 BGEDMO C=CCCCCCN(C)CC1([NH+](C)C)CCC1 ZINC000489006446 388201925 /nfs/dbraw/zinc/20/19/25/388201925.db2.gz FRFRHSNUKPFTBR-UHFFFAOYSA-N 1 1 238.419 3.149 20 30 BGEDMO C=CCCCCC[N@H+](C)CC1(N(C)C)CCC1 ZINC000489006446 388201923 /nfs/dbraw/zinc/20/19/23/388201923.db2.gz FRFRHSNUKPFTBR-UHFFFAOYSA-N 1 1 238.419 3.149 20 30 BGEDMO C=CCCCCC[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000489007744 388201862 /nfs/dbraw/zinc/20/18/62/388201862.db2.gz GDDWUDUEHKEWIZ-ZDUSSCGKSA-N 1 1 225.376 3.232 20 30 BGEDMO Cc1cc(C[N@H+]2CCCC23CCC3)ccc1C#N ZINC000489010300 533598985 /nfs/dbraw/zinc/59/89/85/533598985.db2.gz JEJKTULDOLDWKZ-UHFFFAOYSA-N 1 1 240.350 3.385 20 30 BGEDMO Cc1cc(C[N@H+]2CC[C@H]3CCC[C@H]32)ccc1C#N ZINC000489029769 388673857 /nfs/dbraw/zinc/67/38/57/388673857.db2.gz URIAODSKUMJZKL-GDBMZVCRSA-N 1 1 240.350 3.241 20 30 BGEDMO Cc1cc(C[N@H+]2CC[C@@H]3CCC[C@H]32)ccc1C#N ZINC000489029770 388673864 /nfs/dbraw/zinc/67/38/64/388673864.db2.gz URIAODSKUMJZKL-GOEBONIOSA-N 1 1 240.350 3.241 20 30 BGEDMO Cc1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)ccc1C#N ZINC000489029771 388673908 /nfs/dbraw/zinc/67/39/08/388673908.db2.gz URIAODSKUMJZKL-HOCLYGCPSA-N 1 1 240.350 3.241 20 30 BGEDMO Cc1cc(C[N@H+]2CC[C@H]3CCC[C@@H]32)ccc1C#N ZINC000489029772 388673888 /nfs/dbraw/zinc/67/38/88/388673888.db2.gz URIAODSKUMJZKL-ZBFHGGJFSA-N 1 1 240.350 3.241 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1CCc1ccccc1 ZINC000489392594 388210569 /nfs/dbraw/zinc/21/05/69/388210569.db2.gz ARBDFGFITBWUCL-HNNXBMFYSA-N 1 1 215.340 3.270 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1CCc1ccccc1 ZINC000489392595 388209820 /nfs/dbraw/zinc/20/98/20/388209820.db2.gz ARBDFGFITBWUCL-OAHLLOKOSA-N 1 1 215.340 3.270 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000489400425 388210581 /nfs/dbraw/zinc/21/05/81/388210581.db2.gz HYFQFGSGKSYZHG-CYBMUJFWSA-N 1 1 246.310 3.135 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000489400426 388210557 /nfs/dbraw/zinc/21/05/57/388210557.db2.gz HYFQFGSGKSYZHG-ZDUSSCGKSA-N 1 1 246.310 3.135 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(C)sc1C ZINC000489402477 527456278 /nfs/dbraw/zinc/45/62/78/527456278.db2.gz MIQDRVKNLVNITK-GFCCVEGCSA-N 1 1 236.384 3.300 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(C)sc1C ZINC000489402477 527456272 /nfs/dbraw/zinc/45/62/72/527456272.db2.gz MIQDRVKNLVNITK-GFCCVEGCSA-N 1 1 236.384 3.300 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(C)sc1C ZINC000489402487 388211429 /nfs/dbraw/zinc/21/14/29/388211429.db2.gz MIQDRVKNLVNITK-LBPRGKRZSA-N 1 1 236.384 3.300 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(C)sc1C ZINC000489402487 388211427 /nfs/dbraw/zinc/21/14/27/388211427.db2.gz MIQDRVKNLVNITK-LBPRGKRZSA-N 1 1 236.384 3.300 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1 ZINC000489404002 388211690 /nfs/dbraw/zinc/21/16/90/388211690.db2.gz LZLVSCINVAJIKT-AWEZNQCLSA-N 1 1 231.339 3.236 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1 ZINC000489404003 388211944 /nfs/dbraw/zinc/21/19/44/388211944.db2.gz LZLVSCINVAJIKT-CQSZACIVSA-N 1 1 231.339 3.236 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nccn1C(C)C ZINC000489406710 388211512 /nfs/dbraw/zinc/21/15/12/388211512.db2.gz SGEHDYUMEJKRHB-CYBMUJFWSA-N 1 1 233.359 3.005 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nccn1C(C)C ZINC000489406710 388211510 /nfs/dbraw/zinc/21/15/10/388211510.db2.gz SGEHDYUMEJKRHB-CYBMUJFWSA-N 1 1 233.359 3.005 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nccn1C(C)C ZINC000489406711 388211373 /nfs/dbraw/zinc/21/13/73/388211373.db2.gz SGEHDYUMEJKRHB-ZDUSSCGKSA-N 1 1 233.359 3.005 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nccn1C(C)C ZINC000489406711 388211372 /nfs/dbraw/zinc/21/13/72/388211372.db2.gz SGEHDYUMEJKRHB-ZDUSSCGKSA-N 1 1 233.359 3.005 20 30 BGEDMO C[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CC1(C)C ZINC000489413110 388212225 /nfs/dbraw/zinc/21/22/25/388212225.db2.gz LLBWDQBAHUTSJO-AWEZNQCLSA-N 1 1 247.769 3.422 20 30 BGEDMO C[N@@H+](CC#Cc1ccccc1Cl)[C@@H]1CC1(C)C ZINC000489413114 388211738 /nfs/dbraw/zinc/21/17/38/388211738.db2.gz LLBWDQBAHUTSJO-CQSZACIVSA-N 1 1 247.769 3.422 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(F)c1 ZINC000489420622 398024104 /nfs/dbraw/zinc/02/41/04/398024104.db2.gz AJQDFPUHFOKVQL-CYBMUJFWSA-N 1 1 249.329 3.375 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(F)c1 ZINC000489420623 398024015 /nfs/dbraw/zinc/02/40/15/398024015.db2.gz AJQDFPUHFOKVQL-ZDUSSCGKSA-N 1 1 249.329 3.375 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1CCC(=O)c1ccccc1 ZINC000489421731 388212302 /nfs/dbraw/zinc/21/23/02/388212302.db2.gz DGAJRKJGKMNNSV-HNNXBMFYSA-N 1 1 243.350 3.300 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1CCC(=O)c1ccccc1 ZINC000489421732 398023972 /nfs/dbraw/zinc/02/39/72/398023972.db2.gz DGAJRKJGKMNNSV-OAHLLOKOSA-N 1 1 243.350 3.300 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000489423301 388213009 /nfs/dbraw/zinc/21/30/09/388213009.db2.gz GUVLWSIQNISRTM-INIZCTEOSA-N 1 1 240.350 3.293 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000489423302 388212797 /nfs/dbraw/zinc/21/27/97/388212797.db2.gz GUVLWSIQNISRTM-MRXNPFEDSA-N 1 1 240.350 3.293 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccccc1N(C)C ZINC000489424928 398023886 /nfs/dbraw/zinc/02/38/86/398023886.db2.gz KYUPXGCKXDWACQ-HNNXBMFYSA-N 1 1 244.382 3.293 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccccc1N(C)C ZINC000489424942 388212962 /nfs/dbraw/zinc/21/29/62/388212962.db2.gz KYUPXGCKXDWACQ-OAHLLOKOSA-N 1 1 244.382 3.293 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1CCOc1cccc(F)c1 ZINC000489425887 398025056 /nfs/dbraw/zinc/02/50/56/398025056.db2.gz AYORKGQAPLRTNV-AWEZNQCLSA-N 1 1 249.329 3.245 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1CCOc1cccc(F)c1 ZINC000489425888 388212442 /nfs/dbraw/zinc/21/24/42/388212442.db2.gz AYORKGQAPLRTNV-CQSZACIVSA-N 1 1 249.329 3.245 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000489426596 398024971 /nfs/dbraw/zinc/02/49/71/398024971.db2.gz CARLJSHFWBAJHO-HNNXBMFYSA-N 1 1 230.355 3.055 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000489426597 398025127 /nfs/dbraw/zinc/02/51/27/398025127.db2.gz CARLJSHFWBAJHO-OAHLLOKOSA-N 1 1 230.355 3.055 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000489428597 388212835 /nfs/dbraw/zinc/21/28/35/388212835.db2.gz OVDZQEHGJDCWCA-CYBMUJFWSA-N 1 1 219.303 3.366 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000489428598 388212968 /nfs/dbraw/zinc/21/29/68/388212968.db2.gz OVDZQEHGJDCWCA-ZDUSSCGKSA-N 1 1 219.303 3.366 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000489430418 398025118 /nfs/dbraw/zinc/02/51/18/398025118.db2.gz QRJJQBAZWRKLHL-CYBMUJFWSA-N 1 1 246.310 3.135 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000489430428 398024732 /nfs/dbraw/zinc/02/47/32/398024732.db2.gz QRJJQBAZWRKLHL-ZDUSSCGKSA-N 1 1 246.310 3.135 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000489430826 388213722 /nfs/dbraw/zinc/21/37/22/388213722.db2.gz DRPQKNMFWIFLCU-GFCCVEGCSA-N 1 1 241.338 3.103 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000489430826 388213721 /nfs/dbraw/zinc/21/37/21/388213721.db2.gz DRPQKNMFWIFLCU-GFCCVEGCSA-N 1 1 241.338 3.103 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000489430827 388213206 /nfs/dbraw/zinc/21/32/06/388213206.db2.gz DRPQKNMFWIFLCU-LBPRGKRZSA-N 1 1 241.338 3.103 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000489430827 388213204 /nfs/dbraw/zinc/21/32/04/388213204.db2.gz DRPQKNMFWIFLCU-LBPRGKRZSA-N 1 1 241.338 3.103 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1CCc1ccc(OC)cc1 ZINC000489433570 388214068 /nfs/dbraw/zinc/21/40/68/388214068.db2.gz RXYXNVDGPSNPGI-HNNXBMFYSA-N 1 1 245.366 3.278 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1CCc1ccc(OC)cc1 ZINC000489433571 388213907 /nfs/dbraw/zinc/21/39/07/388213907.db2.gz RXYXNVDGPSNPGI-OAHLLOKOSA-N 1 1 245.366 3.278 20 30 BGEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CC1(C)C ZINC000489433983 388214122 /nfs/dbraw/zinc/21/41/22/388214122.db2.gz CBSBPVXLBHAIGQ-GFCCVEGCSA-N 1 1 222.376 3.437 20 30 BGEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@H]1CC1(C)C ZINC000489433984 388213520 /nfs/dbraw/zinc/21/35/20/388213520.db2.gz CBSBPVXLBHAIGQ-LBPRGKRZSA-N 1 1 222.376 3.437 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1CCCCCn1cccn1 ZINC000489439040 388213426 /nfs/dbraw/zinc/21/34/26/388213426.db2.gz NDPBUFICDJIIQR-HNNXBMFYSA-N 1 1 247.386 3.094 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1CCCCCn1cccn1 ZINC000489439042 388214209 /nfs/dbraw/zinc/21/42/09/388214209.db2.gz NDPBUFICDJIIQR-OAHLLOKOSA-N 1 1 247.386 3.094 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccncc1Cl ZINC000489440161 388213466 /nfs/dbraw/zinc/21/34/66/388213466.db2.gz RWSCCXNUWCYKAX-GFCCVEGCSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccncc1Cl ZINC000489440161 388213464 /nfs/dbraw/zinc/21/34/64/388213464.db2.gz RWSCCXNUWCYKAX-GFCCVEGCSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccncc1Cl ZINC000489440162 388213623 /nfs/dbraw/zinc/21/36/23/388213623.db2.gz RWSCCXNUWCYKAX-LBPRGKRZSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccncc1Cl ZINC000489440162 388213621 /nfs/dbraw/zinc/21/36/21/388213621.db2.gz RWSCCXNUWCYKAX-LBPRGKRZSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000489440626 388215160 /nfs/dbraw/zinc/21/51/60/388215160.db2.gz BSXSGLXUIDYUQS-INIZCTEOSA-N 1 1 225.335 3.079 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000489440627 388215299 /nfs/dbraw/zinc/21/52/99/388215299.db2.gz BSXSGLXUIDYUQS-MRXNPFEDSA-N 1 1 225.335 3.079 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C)nc1C ZINC000489441406 388214873 /nfs/dbraw/zinc/21/48/73/388214873.db2.gz VATJELKUADLIHE-HNNXBMFYSA-N 1 1 230.355 3.239 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C)nc1C ZINC000489441407 388214884 /nfs/dbraw/zinc/21/48/84/388214884.db2.gz VATJELKUADLIHE-OAHLLOKOSA-N 1 1 230.355 3.239 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000489441970 388214634 /nfs/dbraw/zinc/21/46/34/388214634.db2.gz VQWUPHBHAFRZRW-HNNXBMFYSA-N 1 1 226.323 3.099 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000489441997 388214945 /nfs/dbraw/zinc/21/49/45/388214945.db2.gz VQWUPHBHAFRZRW-OAHLLOKOSA-N 1 1 226.323 3.099 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000489442679 388214817 /nfs/dbraw/zinc/21/48/17/388214817.db2.gz BDMNSQRUVZNCHN-HNNXBMFYSA-N 1 1 226.323 3.099 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000489442681 388212533 /nfs/dbraw/zinc/21/25/33/388212533.db2.gz BDMNSQRUVZNCHN-OAHLLOKOSA-N 1 1 226.323 3.099 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1F ZINC000489443089 388214507 /nfs/dbraw/zinc/21/45/07/388214507.db2.gz URWBUDZTYUHQGA-CYBMUJFWSA-N 1 1 249.329 3.245 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1CCOc1ccccc1F ZINC000489443090 388215268 /nfs/dbraw/zinc/21/52/68/388215268.db2.gz URWBUDZTYUHQGA-ZDUSSCGKSA-N 1 1 249.329 3.245 20 30 BGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@H]1CC1(C)C ZINC000489444106 388214930 /nfs/dbraw/zinc/21/49/30/388214930.db2.gz CMAUKLGOKPHWHJ-AWEZNQCLSA-N 1 1 247.769 3.422 20 30 BGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CC1(C)C ZINC000489444108 388215482 /nfs/dbraw/zinc/21/54/82/388215482.db2.gz CMAUKLGOKPHWHJ-CQSZACIVSA-N 1 1 247.769 3.422 20 30 BGEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CC1(C)C ZINC000489449368 388726998 /nfs/dbraw/zinc/72/69/98/388726998.db2.gz OANBNGAMVQLKOR-CYBMUJFWSA-N 1 1 248.757 3.442 20 30 BGEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CC1(C)C ZINC000489449368 388726995 /nfs/dbraw/zinc/72/69/95/388726995.db2.gz OANBNGAMVQLKOR-CYBMUJFWSA-N 1 1 248.757 3.442 20 30 BGEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CC1(C)C ZINC000489449375 388727533 /nfs/dbraw/zinc/72/75/33/388727533.db2.gz OANBNGAMVQLKOR-ZDUSSCGKSA-N 1 1 248.757 3.442 20 30 BGEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CC1(C)C ZINC000489449375 388727528 /nfs/dbraw/zinc/72/75/28/388727528.db2.gz OANBNGAMVQLKOR-ZDUSSCGKSA-N 1 1 248.757 3.442 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1CCCCn1ccnc1C ZINC000489450074 388214483 /nfs/dbraw/zinc/21/44/83/388214483.db2.gz PKPNFPXBLYFMGS-HNNXBMFYSA-N 1 1 247.386 3.012 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1CCCCn1ccnc1C ZINC000489450076 388214526 /nfs/dbraw/zinc/21/45/26/388214526.db2.gz PKPNFPXBLYFMGS-OAHLLOKOSA-N 1 1 247.386 3.012 20 30 BGEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H]1CC1(C)C ZINC000489460251 388216693 /nfs/dbraw/zinc/21/66/93/388216693.db2.gz CWGIFHAMMUFLCU-LLVKDONJSA-N 1 1 208.349 3.047 20 30 BGEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H]1CC1(C)C ZINC000489460252 388215818 /nfs/dbraw/zinc/21/58/18/388215818.db2.gz CWGIFHAMMUFLCU-NSHDSACASA-N 1 1 208.349 3.047 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC000489460447 388216285 /nfs/dbraw/zinc/21/62/85/388216285.db2.gz UZVLPBNTSRSJGP-AWEZNQCLSA-N 1 1 233.359 3.005 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC000489460447 388216283 /nfs/dbraw/zinc/21/62/83/388216283.db2.gz UZVLPBNTSRSJGP-AWEZNQCLSA-N 1 1 233.359 3.005 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC000489460449 388216630 /nfs/dbraw/zinc/21/66/30/388216630.db2.gz UZVLPBNTSRSJGP-CQSZACIVSA-N 1 1 233.359 3.005 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC000489460449 388216628 /nfs/dbraw/zinc/21/66/28/388216628.db2.gz UZVLPBNTSRSJGP-CQSZACIVSA-N 1 1 233.359 3.005 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1c(C)onc1CC ZINC000489463747 388216418 /nfs/dbraw/zinc/21/64/18/388216418.db2.gz NKPSHACXLMWIBB-GFCCVEGCSA-N 1 1 234.343 3.086 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1c(C)onc1CC ZINC000489463748 388216088 /nfs/dbraw/zinc/21/60/88/388216088.db2.gz NKPSHACXLMWIBB-LBPRGKRZSA-N 1 1 234.343 3.086 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000489466010 388216334 /nfs/dbraw/zinc/21/63/34/388216334.db2.gz WEONZBUMHNKIGL-AWEZNQCLSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000489466011 388216061 /nfs/dbraw/zinc/21/60/61/388216061.db2.gz WEONZBUMHNKIGL-CQSZACIVSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000489466897 388215933 /nfs/dbraw/zinc/21/59/33/388215933.db2.gz ZXGTYZKRCMIFBG-HNNXBMFYSA-N 1 1 226.323 3.099 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000489466898 388215773 /nfs/dbraw/zinc/21/57/73/388215773.db2.gz ZXGTYZKRCMIFBG-OAHLLOKOSA-N 1 1 226.323 3.099 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(OCC)n1 ZINC000489471185 388217312 /nfs/dbraw/zinc/21/73/12/388217312.db2.gz GOMMIWSFTHXMPJ-AWEZNQCLSA-N 1 1 246.354 3.021 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(OCC)n1 ZINC000489471187 388216886 /nfs/dbraw/zinc/21/68/86/388216886.db2.gz GOMMIWSFTHXMPJ-CQSZACIVSA-N 1 1 246.354 3.021 20 30 BGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CC1(C)C ZINC000489473379 388217356 /nfs/dbraw/zinc/21/73/56/388217356.db2.gz DSBMYUVYZMJQEF-AWEZNQCLSA-N 1 1 247.769 3.422 20 30 BGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CC1(C)C ZINC000489473381 388217240 /nfs/dbraw/zinc/21/72/40/388217240.db2.gz DSBMYUVYZMJQEF-CQSZACIVSA-N 1 1 247.769 3.422 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1CCOc1ccc(F)cc1 ZINC000489476980 388217015 /nfs/dbraw/zinc/21/70/15/388217015.db2.gz INPOFOGJYHKIOC-AWEZNQCLSA-N 1 1 249.329 3.245 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1CCOc1ccc(F)cc1 ZINC000489476981 388216902 /nfs/dbraw/zinc/21/69/02/388216902.db2.gz INPOFOGJYHKIOC-CQSZACIVSA-N 1 1 249.329 3.245 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000489481072 388217121 /nfs/dbraw/zinc/21/71/21/388217121.db2.gz ATZFTLBXAZWHHM-AWEZNQCLSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000489481072 388217118 /nfs/dbraw/zinc/21/71/18/388217118.db2.gz ATZFTLBXAZWHHM-AWEZNQCLSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000489481074 388217333 /nfs/dbraw/zinc/21/73/33/388217333.db2.gz ATZFTLBXAZWHHM-CQSZACIVSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000489481074 388217332 /nfs/dbraw/zinc/21/73/32/388217332.db2.gz ATZFTLBXAZWHHM-CQSZACIVSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(COC)c1 ZINC000489481155 388217834 /nfs/dbraw/zinc/21/78/34/388217834.db2.gz SQUMNYULIJAMKW-INIZCTEOSA-N 1 1 245.366 3.374 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(COC)c1 ZINC000489481157 388217218 /nfs/dbraw/zinc/21/72/18/388217218.db2.gz SQUMNYULIJAMKW-MRXNPFEDSA-N 1 1 245.366 3.374 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000489484611 388217051 /nfs/dbraw/zinc/21/70/51/388217051.db2.gz XFSHCURPAKGBOI-AWEZNQCLSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000489484611 388217049 /nfs/dbraw/zinc/21/70/49/388217049.db2.gz XFSHCURPAKGBOI-AWEZNQCLSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000489484613 388217517 /nfs/dbraw/zinc/21/75/17/388217517.db2.gz XFSHCURPAKGBOI-CQSZACIVSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000489484613 388217515 /nfs/dbraw/zinc/21/75/15/388217515.db2.gz XFSHCURPAKGBOI-CQSZACIVSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2o1 ZINC000489486545 388218640 /nfs/dbraw/zinc/21/86/40/388218640.db2.gz ZBSWMBIQAKMFEL-GFCCVEGCSA-N 1 1 242.322 3.368 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000489486545 388218638 /nfs/dbraw/zinc/21/86/38/388218638.db2.gz ZBSWMBIQAKMFEL-GFCCVEGCSA-N 1 1 242.322 3.368 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc2ccccc2o1 ZINC000489486546 388218474 /nfs/dbraw/zinc/21/84/74/388218474.db2.gz ZBSWMBIQAKMFEL-LBPRGKRZSA-N 1 1 242.322 3.368 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000489486546 388218473 /nfs/dbraw/zinc/21/84/73/388218473.db2.gz ZBSWMBIQAKMFEL-LBPRGKRZSA-N 1 1 242.322 3.368 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000489490489 388218249 /nfs/dbraw/zinc/21/82/49/388218249.db2.gz NWHINEQFMPQSAJ-CYBMUJFWSA-N 1 1 246.310 3.135 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000489490492 388218911 /nfs/dbraw/zinc/21/89/11/388218911.db2.gz NWHINEQFMPQSAJ-ZDUSSCGKSA-N 1 1 246.310 3.135 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1CCc1csc(C)n1 ZINC000489490750 388218316 /nfs/dbraw/zinc/21/83/16/388218316.db2.gz OAJFLTAYWHLVLG-CYBMUJFWSA-N 1 1 236.384 3.035 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1CCc1csc(C)n1 ZINC000489490752 388218404 /nfs/dbraw/zinc/21/84/04/388218404.db2.gz OAJFLTAYWHLVLG-ZDUSSCGKSA-N 1 1 236.384 3.035 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000489493285 388218812 /nfs/dbraw/zinc/21/88/12/388218812.db2.gz HIZPCAVZSDVBOT-INIZCTEOSA-N 1 1 243.325 3.218 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000489493287 388218750 /nfs/dbraw/zinc/21/87/50/388218750.db2.gz HIZPCAVZSDVBOT-MRXNPFEDSA-N 1 1 243.325 3.218 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1CCOc1ccccc1 ZINC000489495076 388218231 /nfs/dbraw/zinc/21/82/31/388218231.db2.gz WCHGSDUPHCNCBR-AWEZNQCLSA-N 1 1 231.339 3.106 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1CCOc1ccccc1 ZINC000489495078 388218865 /nfs/dbraw/zinc/21/88/65/388218865.db2.gz WCHGSDUPHCNCBR-CQSZACIVSA-N 1 1 231.339 3.106 20 30 BGEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CC1(C)C ZINC000489496107 388733830 /nfs/dbraw/zinc/73/38/30/388733830.db2.gz XPHWLJQHTNNGFA-CYBMUJFWSA-N 1 1 248.757 3.442 20 30 BGEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CC1(C)C ZINC000489496108 388734355 /nfs/dbraw/zinc/73/43/55/388734355.db2.gz XPHWLJQHTNNGFA-ZDUSSCGKSA-N 1 1 248.757 3.442 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1CCOCCC(C)C ZINC000489499031 388218628 /nfs/dbraw/zinc/21/86/28/388218628.db2.gz PXRROFYYJTWTNO-AWEZNQCLSA-N 1 1 225.376 3.090 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1CCOCCC(C)C ZINC000489499032 388218884 /nfs/dbraw/zinc/21/88/84/388218884.db2.gz PXRROFYYJTWTNO-CQSZACIVSA-N 1 1 225.376 3.090 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000489501595 388219418 /nfs/dbraw/zinc/21/94/18/388219418.db2.gz UQZSKGHKRJYUMF-AWEZNQCLSA-N 1 1 219.303 3.366 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000489501596 388219260 /nfs/dbraw/zinc/21/92/60/388219260.db2.gz UQZSKGHKRJYUMF-CQSZACIVSA-N 1 1 219.303 3.366 20 30 BGEDMO C=C(CC)C[N@H+]1CCc2cccc(OC)c2CC1 ZINC000489501714 388219327 /nfs/dbraw/zinc/21/93/27/388219327.db2.gz VICVDJJJTUYRKY-UHFFFAOYSA-N 1 1 245.366 3.062 20 30 BGEDMO Cc1cc(C[N@H+](C)[C@H]2CC2(C)C)ccc1C#N ZINC000489502021 388741257 /nfs/dbraw/zinc/74/12/57/388741257.db2.gz QVOVQWZXDVMBCX-AWEZNQCLSA-N 1 1 228.339 3.097 20 30 BGEDMO Cc1cc(C[N@H+](C)[C@@H]2CC2(C)C)ccc1C#N ZINC000489502022 388740844 /nfs/dbraw/zinc/74/08/44/388740844.db2.gz QVOVQWZXDVMBCX-CQSZACIVSA-N 1 1 228.339 3.097 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1CCCOc1ccccc1 ZINC000489502212 388219773 /nfs/dbraw/zinc/21/97/73/388219773.db2.gz XWIYHXQNCLDFMJ-HNNXBMFYSA-N 1 1 245.366 3.496 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1CCCOc1ccccc1 ZINC000489502213 388219244 /nfs/dbraw/zinc/21/92/44/388219244.db2.gz XWIYHXQNCLDFMJ-OAHLLOKOSA-N 1 1 245.366 3.496 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000489504759 388219238 /nfs/dbraw/zinc/21/92/38/388219238.db2.gz ASIYFGVIHSLVTN-AWEZNQCLSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000489504759 388219236 /nfs/dbraw/zinc/21/92/36/388219236.db2.gz ASIYFGVIHSLVTN-AWEZNQCLSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000489504760 388219676 /nfs/dbraw/zinc/21/96/76/388219676.db2.gz ASIYFGVIHSLVTN-CQSZACIVSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000489504760 388219674 /nfs/dbraw/zinc/21/96/74/388219674.db2.gz ASIYFGVIHSLVTN-CQSZACIVSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(C)c(C)s1 ZINC000489505784 388219275 /nfs/dbraw/zinc/21/92/75/388219275.db2.gz FQVLINYQXKOBLR-GFCCVEGCSA-N 1 1 236.384 3.300 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(C)c(C)s1 ZINC000489505784 388219273 /nfs/dbraw/zinc/21/92/73/388219273.db2.gz FQVLINYQXKOBLR-GFCCVEGCSA-N 1 1 236.384 3.300 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(C)c(C)s1 ZINC000489505785 388220209 /nfs/dbraw/zinc/22/02/09/388220209.db2.gz FQVLINYQXKOBLR-LBPRGKRZSA-N 1 1 236.384 3.300 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(C)c(C)s1 ZINC000489505785 388220206 /nfs/dbraw/zinc/22/02/06/388220206.db2.gz FQVLINYQXKOBLR-LBPRGKRZSA-N 1 1 236.384 3.300 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000489512091 388219720 /nfs/dbraw/zinc/21/97/20/388219720.db2.gz NYOKHQWKWZCDQB-AWEZNQCLSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000489512091 388219716 /nfs/dbraw/zinc/21/97/16/388219716.db2.gz NYOKHQWKWZCDQB-AWEZNQCLSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000489512094 388220061 /nfs/dbraw/zinc/22/00/61/388220061.db2.gz NYOKHQWKWZCDQB-CQSZACIVSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000489512094 388220058 /nfs/dbraw/zinc/22/00/58/388220058.db2.gz NYOKHQWKWZCDQB-CQSZACIVSA-N 1 1 244.313 3.238 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1CCc1ccccc1F ZINC000489517919 388219437 /nfs/dbraw/zinc/21/94/37/388219437.db2.gz VHCKRULMATYKFI-AWEZNQCLSA-N 1 1 233.330 3.409 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1CCc1ccccc1F ZINC000489517920 388219472 /nfs/dbraw/zinc/21/94/72/388219472.db2.gz VHCKRULMATYKFI-CQSZACIVSA-N 1 1 233.330 3.409 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000489520387 259357503 /nfs/dbraw/zinc/35/75/03/259357503.db2.gz YVHMIUKSOJFVBU-CYBMUJFWSA-N 1 1 220.360 3.357 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000489520399 259357479 /nfs/dbraw/zinc/35/74/79/259357479.db2.gz YVHMIUKSOJFVBU-ZDUSSCGKSA-N 1 1 220.360 3.357 20 30 BGEDMO C[N@@H+](Cc1cccc(C#N)c1F)C1(C)CCCC1 ZINC000489834354 388840965 /nfs/dbraw/zinc/84/09/65/388840965.db2.gz CXFBEHWAGRMKQQ-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO C[N@@H+](Cc1ccc(F)cc1C#N)C1(C)CCCC1 ZINC000489844480 388840296 /nfs/dbraw/zinc/84/02/96/388840296.db2.gz VDEAXBMSZIQSPB-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C1(C)CCCC1 ZINC000489848391 388840580 /nfs/dbraw/zinc/84/05/80/388840580.db2.gz YUFXEAJHRDRUAF-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)C1(C)CCCC1 ZINC000489848857 388841273 /nfs/dbraw/zinc/84/12/73/388841273.db2.gz RHVZPTUMBFLWRZ-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C1(C)CCCC1 ZINC000489851720 388225973 /nfs/dbraw/zinc/22/59/73/388225973.db2.gz WYDKRNDGYBDAHJ-UHFFFAOYSA-N 1 1 245.341 3.442 20 30 BGEDMO C[N@@H+](Cc1ccccc1C#N)C1(C)CCCC1 ZINC000489864636 388842373 /nfs/dbraw/zinc/84/23/73/388842373.db2.gz UXVWXVUPWHKJCG-UHFFFAOYSA-N 1 1 228.339 3.323 20 30 BGEDMO C[N@@H+](Cc1cc(F)ccc1C#N)C1(C)CCCC1 ZINC000489878629 388589938 /nfs/dbraw/zinc/58/99/38/388589938.db2.gz XYHQYQKUTMCXIB-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO C[N@@H+](Cc1cccc(C#N)c1)C1(C)CCCC1 ZINC000489880899 388843225 /nfs/dbraw/zinc/84/32/25/388843225.db2.gz FDRXXBKAYSTHTJ-UHFFFAOYSA-N 1 1 228.339 3.323 20 30 BGEDMO C[N@@H+](CC#Cc1ccccc1)C1(C)CCCC1 ZINC000489884859 388227507 /nfs/dbraw/zinc/22/75/07/388227507.db2.gz KJDSDQSDDYBLQA-UHFFFAOYSA-N 1 1 227.351 3.303 20 30 BGEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)C1(C)CCCC1 ZINC000489894564 388842834 /nfs/dbraw/zinc/84/28/34/388842834.db2.gz FIXMGDUGFKJUJV-UHFFFAOYSA-N 1 1 246.329 3.462 20 30 BGEDMO C=CC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490037235 388231368 /nfs/dbraw/zinc/23/13/68/388231368.db2.gz XORZCMYTYHTLSD-DZGCQCFKSA-N 1 1 215.340 3.359 20 30 BGEDMO C=CC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000490037237 388231596 /nfs/dbraw/zinc/23/15/96/388231596.db2.gz XORZCMYTYHTLSD-HIFRSBDPSA-N 1 1 215.340 3.359 20 30 BGEDMO C=CC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000490037239 388231060 /nfs/dbraw/zinc/23/10/60/388231060.db2.gz XORZCMYTYHTLSD-UKRRQHHQSA-N 1 1 215.340 3.359 20 30 BGEDMO C=CC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490037241 388231483 /nfs/dbraw/zinc/23/14/83/388231483.db2.gz XORZCMYTYHTLSD-ZFWWWQNUSA-N 1 1 215.340 3.359 20 30 BGEDMO C=C(C)C[N@@H+](CC)CCc1ccc(F)c(F)c1 ZINC000490073674 388233259 /nfs/dbraw/zinc/23/32/59/388233259.db2.gz RECMXWSWWZTOGG-UHFFFAOYSA-N 1 1 239.309 3.405 20 30 BGEDMO C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)C[C@H](C)C#N ZINC000490096854 388234656 /nfs/dbraw/zinc/23/46/56/388234656.db2.gz ZSCLUHWILYGRFS-CHWSQXEVSA-N 1 1 242.366 3.328 20 30 BGEDMO C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)C[C@H](C)C#N ZINC000490096854 388234654 /nfs/dbraw/zinc/23/46/54/388234654.db2.gz ZSCLUHWILYGRFS-CHWSQXEVSA-N 1 1 242.366 3.328 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000490096855 388234503 /nfs/dbraw/zinc/23/45/03/388234503.db2.gz ZSCLUHWILYGRFS-OLZOCXBDSA-N 1 1 242.366 3.328 20 30 BGEDMO C[C@H](C#N)C[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000490096855 388234502 /nfs/dbraw/zinc/23/45/02/388234502.db2.gz ZSCLUHWILYGRFS-OLZOCXBDSA-N 1 1 242.366 3.328 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC000490096856 388234070 /nfs/dbraw/zinc/23/40/70/388234070.db2.gz ZSCLUHWILYGRFS-QWHCGFSZSA-N 1 1 242.366 3.328 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC000490096856 388234064 /nfs/dbraw/zinc/23/40/64/388234064.db2.gz ZSCLUHWILYGRFS-QWHCGFSZSA-N 1 1 242.366 3.328 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000490096857 388234296 /nfs/dbraw/zinc/23/42/96/388234296.db2.gz ZSCLUHWILYGRFS-STQMWFEESA-N 1 1 242.366 3.328 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000490096857 388234293 /nfs/dbraw/zinc/23/42/93/388234293.db2.gz ZSCLUHWILYGRFS-STQMWFEESA-N 1 1 242.366 3.328 20 30 BGEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1(C)CCCC1 ZINC000490121363 529983862 /nfs/dbraw/zinc/98/38/62/529983862.db2.gz VEKJLHMUMKPPRC-UHFFFAOYSA-N 1 1 228.339 3.323 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccoc1 ZINC000490364436 398319995 /nfs/dbraw/zinc/31/99/95/398319995.db2.gz HNBPMZAMPQJRTD-GFCCVEGCSA-N 1 1 240.306 3.344 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccoc1 ZINC000490364458 398319950 /nfs/dbraw/zinc/31/99/50/398319950.db2.gz HNBPMZAMPQJRTD-LBPRGKRZSA-N 1 1 240.306 3.344 20 30 BGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCO[C@H](C)C1 ZINC000490546402 388239957 /nfs/dbraw/zinc/23/99/57/388239957.db2.gz OVMVYNDTTZKGRS-CABCVRRESA-N 1 1 239.403 3.480 20 30 BGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCO[C@@H](C)C1 ZINC000490546403 388239951 /nfs/dbraw/zinc/23/99/51/388239951.db2.gz OVMVYNDTTZKGRS-GJZGRUSLSA-N 1 1 239.403 3.480 20 30 BGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCO[C@H](C)C1 ZINC000490546404 388239978 /nfs/dbraw/zinc/23/99/78/388239978.db2.gz OVMVYNDTTZKGRS-HUUCEWRRSA-N 1 1 239.403 3.480 20 30 BGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCO[C@@H](C)C1 ZINC000490546406 388240021 /nfs/dbraw/zinc/24/00/21/388240021.db2.gz OVMVYNDTTZKGRS-LSDHHAIUSA-N 1 1 239.403 3.480 20 30 BGEDMO C#CC[N@H+](Cc1cnc(C)s1)C1CCCCC1 ZINC000490593522 388241769 /nfs/dbraw/zinc/24/17/69/388241769.db2.gz BGDYPPAGYNFNLT-UHFFFAOYSA-N 1 1 248.395 3.219 20 30 BGEDMO C#CC[N@H+](CCCCCOC)C1CCCCC1 ZINC000490605610 398026339 /nfs/dbraw/zinc/02/63/39/398026339.db2.gz RUOISAWAKNKRCP-UHFFFAOYSA-N 1 1 237.387 3.071 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC000490714531 388249395 /nfs/dbraw/zinc/24/93/95/388249395.db2.gz PRGNDXICCGIKKM-JTQLQIEISA-N 1 1 223.266 3.078 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC000490714540 388249287 /nfs/dbraw/zinc/24/92/87/388249287.db2.gz PRGNDXICCGIKKM-SNVBAGLBSA-N 1 1 223.266 3.078 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000490718122 527333457 /nfs/dbraw/zinc/33/34/57/527333457.db2.gz HBWNLOLSQGQTCP-JTQLQIEISA-N 1 1 223.266 3.078 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000490718123 527214519 /nfs/dbraw/zinc/21/45/19/527214519.db2.gz HBWNLOLSQGQTCP-SNVBAGLBSA-N 1 1 223.266 3.078 20 30 BGEDMO C#CC[N@H+](C[C@H](C)C(F)(F)F)C1CCCC1 ZINC000490841555 323075578 /nfs/dbraw/zinc/07/55/78/323075578.db2.gz VCQKNIQOIUGGPA-JTQLQIEISA-N 1 1 233.277 3.063 20 30 BGEDMO C#CC[N@H+](C[C@@H](C)C(F)(F)F)C1CCCC1 ZINC000490841556 323075525 /nfs/dbraw/zinc/07/55/25/323075525.db2.gz VCQKNIQOIUGGPA-SNVBAGLBSA-N 1 1 233.277 3.063 20 30 BGEDMO C#CC[N@H+](Cc1nc(C)sc1C)C1CCCC1 ZINC000490866467 388257460 /nfs/dbraw/zinc/25/74/60/388257460.db2.gz PGXIIQHMAWTBTK-UHFFFAOYSA-N 1 1 248.395 3.138 20 30 BGEDMO C#CC[N@@H+](Cc1nc(C)sc1C)C1CCCC1 ZINC000490866467 388257459 /nfs/dbraw/zinc/25/74/59/388257459.db2.gz PGXIIQHMAWTBTK-UHFFFAOYSA-N 1 1 248.395 3.138 20 30 BGEDMO C#CC[N@H+](Cc1scnc1C)C1CCCCC1 ZINC000490877199 526913531 /nfs/dbraw/zinc/91/35/31/526913531.db2.gz XESMXYOUYAUNOU-UHFFFAOYSA-N 1 1 248.395 3.219 20 30 BGEDMO C#CC[N@H+](Cc1ncc(CC)s1)C1CCCC1 ZINC000490932746 384505908 /nfs/dbraw/zinc/50/59/08/384505908.db2.gz ADHGVKSIBUXKSF-UHFFFAOYSA-N 1 1 248.395 3.083 20 30 BGEDMO C#CC[N@@H+](Cc1ncc(CC)s1)C1CCCC1 ZINC000490932746 384505901 /nfs/dbraw/zinc/50/59/01/384505901.db2.gz ADHGVKSIBUXKSF-UHFFFAOYSA-N 1 1 248.395 3.083 20 30 BGEDMO C#CC[N@H+](CC1(CC)CCOCC1)C1CCCC1 ZINC000490937970 384517557 /nfs/dbraw/zinc/51/75/57/384517557.db2.gz WDBRTGZVQXKIKB-UHFFFAOYSA-N 1 1 249.398 3.071 20 30 BGEDMO C#CC[N@H+](C[C@@H]1CCO[C@H](CC)C1)C1CCCC1 ZINC000490939203 491078588 /nfs/dbraw/zinc/07/85/88/491078588.db2.gz ZYPFFAIVMUIFGQ-GDBMZVCRSA-N 1 1 249.398 3.069 20 30 BGEDMO C#CC[N@H+](C[C@H]1CCO[C@H](CC)C1)C1CCCC1 ZINC000490939206 491078601 /nfs/dbraw/zinc/07/86/01/491078601.db2.gz ZYPFFAIVMUIFGQ-GOEBONIOSA-N 1 1 249.398 3.069 20 30 BGEDMO C#CC[N@H+](C[C@H]1CCO[C@@H](CC)C1)C1CCCC1 ZINC000490939208 491078618 /nfs/dbraw/zinc/07/86/18/491078618.db2.gz ZYPFFAIVMUIFGQ-HOCLYGCPSA-N 1 1 249.398 3.069 20 30 BGEDMO C#CC[N@H+](C[C@@H]1CCO[C@@H](CC)C1)C1CCCC1 ZINC000490939209 491078598 /nfs/dbraw/zinc/07/85/98/491078598.db2.gz ZYPFFAIVMUIFGQ-ZBFHGGJFSA-N 1 1 249.398 3.069 20 30 BGEDMO C#CC[N@H+](CC)Cc1cccc(C(F)F)c1 ZINC000491040630 388266993 /nfs/dbraw/zinc/26/69/93/388266993.db2.gz WCNNCMODTQRXFU-UHFFFAOYSA-N 1 1 223.266 3.079 20 30 BGEDMO C#CC[N@H+](Cc1conc1CC)C1CCCCC1 ZINC000491071609 388267944 /nfs/dbraw/zinc/26/79/44/388267944.db2.gz MAQFNTCOPGGZAW-UHFFFAOYSA-N 1 1 246.354 3.005 20 30 BGEDMO C#CC[N@H+](CCCCCF)C1CCCC1 ZINC000491073011 526900496 /nfs/dbraw/zinc/90/04/96/526900496.db2.gz WZKNEJAWAOWUPN-UHFFFAOYSA-N 1 1 211.324 3.004 20 30 BGEDMO C#CC[N@H+](C[C@H]1CCO[C@H](C)C1)C1CCCCC1 ZINC000491093839 388268913 /nfs/dbraw/zinc/26/89/13/388268913.db2.gz GNIGDUKUYJBBMV-CABCVRRESA-N 1 1 249.398 3.069 20 30 BGEDMO C#CC[N@H+](C[C@H]1CCO[C@@H](C)C1)C1CCCCC1 ZINC000491093846 388268761 /nfs/dbraw/zinc/26/87/61/388268761.db2.gz GNIGDUKUYJBBMV-GJZGRUSLSA-N 1 1 249.398 3.069 20 30 BGEDMO C#CC[N@H+](C[C@@H]1CCO[C@H](C)C1)C1CCCCC1 ZINC000491093847 388268408 /nfs/dbraw/zinc/26/84/08/388268408.db2.gz GNIGDUKUYJBBMV-HUUCEWRRSA-N 1 1 249.398 3.069 20 30 BGEDMO C#CC[N@H+](C[C@@H]1CCO[C@@H](C)C1)C1CCCCC1 ZINC000491093848 388268557 /nfs/dbraw/zinc/26/85/57/388268557.db2.gz GNIGDUKUYJBBMV-LSDHHAIUSA-N 1 1 249.398 3.069 20 30 BGEDMO C#CC(C)(C)[N@@H+](C)CCCc1ccsc1 ZINC000491125936 388271672 /nfs/dbraw/zinc/27/16/72/388271672.db2.gz IVSIYNJONQKOLX-UHFFFAOYSA-N 1 1 221.369 3.024 20 30 BGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000491164715 388273527 /nfs/dbraw/zinc/27/35/27/388273527.db2.gz DWQZMVYOIVJWSU-UHFFFAOYSA-N 1 1 238.334 3.078 20 30 BGEDMO C#CC(C)(C)[N@@H+](C)CCCCC(F)(F)F ZINC000491210742 388277704 /nfs/dbraw/zinc/27/77/04/388277704.db2.gz YDXPRZPCZTZMHQ-UHFFFAOYSA-N 1 1 221.266 3.063 20 30 BGEDMO C#CC[N@H+](Cc1ncc(C)s1)C1CCCCC1 ZINC000491219719 388278226 /nfs/dbraw/zinc/27/82/26/388278226.db2.gz HAEXHJDLUIOXKM-UHFFFAOYSA-N 1 1 248.395 3.219 20 30 BGEDMO C#CC[N@@H+](Cc1ncc(C)s1)C1CCCCC1 ZINC000491219719 388278225 /nfs/dbraw/zinc/27/82/25/388278225.db2.gz HAEXHJDLUIOXKM-UHFFFAOYSA-N 1 1 248.395 3.219 20 30 BGEDMO C#CC[N@H+](Cc1ccc(Cl)cn1)C1CCCC1 ZINC000491220352 385169060 /nfs/dbraw/zinc/16/90/60/385169060.db2.gz MTRBGOBKSMBXSG-UHFFFAOYSA-N 1 1 248.757 3.113 20 30 BGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](C)CC ZINC000491261298 388280775 /nfs/dbraw/zinc/28/07/75/388280775.db2.gz TZAABNXXROQPRC-CYBMUJFWSA-N 1 1 221.344 3.356 20 30 BGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](C)CC ZINC000491261299 388280789 /nfs/dbraw/zinc/28/07/89/388280789.db2.gz TZAABNXXROQPRC-ZDUSSCGKSA-N 1 1 221.344 3.356 20 30 BGEDMO C#CC[N@H+](Cc1ccc(SC)s1)C1CC1 ZINC000491305414 385331251 /nfs/dbraw/zinc/33/12/51/385331251.db2.gz IWWIQDXSOHCTPQ-UHFFFAOYSA-N 1 1 237.393 3.068 20 30 BGEDMO C#CC[N@@H+](Cc1ccc(SC)s1)C1CC1 ZINC000491305414 385331246 /nfs/dbraw/zinc/33/12/46/385331246.db2.gz IWWIQDXSOHCTPQ-UHFFFAOYSA-N 1 1 237.393 3.068 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cscc1C(F)(F)F ZINC000491306195 398038861 /nfs/dbraw/zinc/03/88/61/398038861.db2.gz MGYDVNOMQJYQSZ-MRVPVSSYSA-N 1 1 247.285 3.220 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)Cc1cscc1C(F)(F)F ZINC000491306195 398038859 /nfs/dbraw/zinc/03/88/59/398038859.db2.gz MGYDVNOMQJYQSZ-MRVPVSSYSA-N 1 1 247.285 3.220 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1cscc1C(F)(F)F ZINC000491306196 398038447 /nfs/dbraw/zinc/03/84/47/398038447.db2.gz MGYDVNOMQJYQSZ-QMMMGPOBSA-N 1 1 247.285 3.220 20 30 BGEDMO C#C[C@H](C)[N@H+](C)Cc1cscc1C(F)(F)F ZINC000491306196 398038443 /nfs/dbraw/zinc/03/84/43/398038443.db2.gz MGYDVNOMQJYQSZ-QMMMGPOBSA-N 1 1 247.285 3.220 20 30 BGEDMO C#CC[N@@H+](CCC1CCOCC1)C1CCCCC1 ZINC000491325419 388285631 /nfs/dbraw/zinc/28/56/31/388285631.db2.gz CJZJHJQOIOVDMQ-UHFFFAOYSA-N 1 1 249.398 3.071 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc2nc(C)sc2c1 ZINC000491327488 388286049 /nfs/dbraw/zinc/28/60/49/388286049.db2.gz VUNCMUBWXYAXPU-JTQLQIEISA-N 1 1 244.363 3.058 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc2nc(C)sc2c1 ZINC000491327489 388285934 /nfs/dbraw/zinc/28/59/34/388285934.db2.gz VUNCMUBWXYAXPU-SNVBAGLBSA-N 1 1 244.363 3.058 20 30 BGEDMO C#CC(C)(C)[N@@H+](C)CC1CCC(F)(F)CC1 ZINC000491337794 388286301 /nfs/dbraw/zinc/28/63/01/388286301.db2.gz CUFCGKCBCDQARR-UHFFFAOYSA-N 1 1 229.314 3.156 20 30 BGEDMO C#C[C@H]([NH2+]Cc1cc[nH]c1)c1ccc(Cl)cc1 ZINC000491350607 388287542 /nfs/dbraw/zinc/28/75/42/388287542.db2.gz OOUXYKFDTAIHSG-AWEZNQCLSA-N 1 1 244.725 3.132 20 30 BGEDMO C#C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(Cl)cc1 ZINC000491350610 388287638 /nfs/dbraw/zinc/28/76/38/388287638.db2.gz OOUXYKFDTAIHSG-CQSZACIVSA-N 1 1 244.725 3.132 20 30 BGEDMO C=CC[N@H+](CCc1ccco1)CCC(C)C ZINC000491356836 388288023 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C=C(C)CC[N@@H+](C)CCOc1ccccc1F ZINC000509799869 526437712 /nfs/dbraw/zinc/43/77/12/526437712.db2.gz UIVDPMHNGKEHAN-UHFFFAOYSA-N 1 1 237.318 3.103 20 30 BGEDMO C=C(C)CC[N@H+](CC)Cc1ccccc1 ZINC000509815517 526441448 /nfs/dbraw/zinc/44/14/48/526441448.db2.gz VEAQNZQANIPSPA-UHFFFAOYSA-N 1 1 203.329 3.475 20 30 BGEDMO C=C(C)CC[N@H+](C)Cc1ccccc1C ZINC000509825471 526439409 /nfs/dbraw/zinc/43/94/09/526439409.db2.gz FQNCIAUKXSRDDO-UHFFFAOYSA-N 1 1 203.329 3.393 20 30 BGEDMO CC[C@@H](C[N@@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000509828646 529471604 /nfs/dbraw/zinc/47/16/04/529471604.db2.gz RRAIZEFGMGSAHT-KBPBESRZSA-N 1 1 230.355 3.272 20 30 BGEDMO CC[C@@H](C[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000509828648 529471532 /nfs/dbraw/zinc/47/15/32/529471532.db2.gz RRAIZEFGMGSAHT-KGLIPLIRSA-N 1 1 230.355 3.272 20 30 BGEDMO CC[C@H](C[N@@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000509828650 529333121 /nfs/dbraw/zinc/33/31/21/529333121.db2.gz RRAIZEFGMGSAHT-UONOGXRCSA-N 1 1 230.355 3.272 20 30 BGEDMO CC[C@H](C[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000509828651 529333091 /nfs/dbraw/zinc/33/30/91/529333091.db2.gz RRAIZEFGMGSAHT-ZIAGYGMSSA-N 1 1 230.355 3.272 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000509833321 526444516 /nfs/dbraw/zinc/44/45/16/526444516.db2.gz RDLWBNZJRFFYDY-JTQLQIEISA-N 1 1 221.266 3.227 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000509833323 526443500 /nfs/dbraw/zinc/44/35/00/526443500.db2.gz RDLWBNZJRFFYDY-SNVBAGLBSA-N 1 1 221.266 3.227 20 30 BGEDMO C=C(C)CC[N@@H+](C)CCOc1ccc(F)cc1 ZINC000509835134 526438463 /nfs/dbraw/zinc/43/84/63/526438463.db2.gz AELMOJYSMHGIPY-UHFFFAOYSA-N 1 1 237.318 3.103 20 30 BGEDMO C=C(C)CC[N@@H+](C)CCOc1ccccc1C ZINC000509849745 526439242 /nfs/dbraw/zinc/43/92/42/526439242.db2.gz KFLBIHFQTNVZGK-UHFFFAOYSA-N 1 1 233.355 3.272 20 30 BGEDMO C=C(C)CC[N@@H+](C)CCCOc1ccccc1 ZINC000509855624 526439335 /nfs/dbraw/zinc/43/93/35/526439335.db2.gz SMLABDJKCPWHNF-UHFFFAOYSA-N 1 1 233.355 3.354 20 30 BGEDMO CC(C)(C#N)CC[NH2+]C1(C(F)F)CCCCC1 ZINC000510078420 527467383 /nfs/dbraw/zinc/46/73/83/527467383.db2.gz GEMGVYMSCPMKBJ-UHFFFAOYSA-N 1 1 244.329 3.484 20 30 BGEDMO C=C(C)CC[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000510744705 526447523 /nfs/dbraw/zinc/44/75/23/526447523.db2.gz IFBXWDDEWLNDQI-JTQLQIEISA-N 1 1 221.266 3.227 20 30 BGEDMO C=C(C)CC[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000510744706 526446815 /nfs/dbraw/zinc/44/68/15/526446815.db2.gz IFBXWDDEWLNDQI-SNVBAGLBSA-N 1 1 221.266 3.227 20 30 BGEDMO C=C(C)CC[N@@H+](CC1CC1)CC1CCC1 ZINC000510745683 526439889 /nfs/dbraw/zinc/43/98/89/526439889.db2.gz CKRHQHMDYCEXQP-UHFFFAOYSA-N 1 1 207.361 3.465 20 30 BGEDMO C=C(C)CC[N@H+](CCO)C1CCC(CC)CC1 ZINC000510753423 526440850 /nfs/dbraw/zinc/44/08/50/526440850.db2.gz ZQYZKJDFAHTZPI-UHFFFAOYSA-N 1 1 239.403 3.216 20 30 BGEDMO C=C(C)CC[N@H+]1CCc2cc(C)ccc2C1 ZINC000510755033 526447161 /nfs/dbraw/zinc/44/71/61/526447161.db2.gz SVYDTJSCQQFZDY-UHFFFAOYSA-N 1 1 215.340 3.319 20 30 BGEDMO C=C(C)CC[N@@H+](C)CCCOCc1ccccc1 ZINC000510760737 526438261 /nfs/dbraw/zinc/43/82/61/526438261.db2.gz DKGVDBKXIOQSQU-UHFFFAOYSA-N 1 1 247.382 3.491 20 30 BGEDMO C=C(C)CC[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000510762387 526442427 /nfs/dbraw/zinc/44/24/27/526442427.db2.gz JUWVQJZLOYTWBQ-UHFFFAOYSA-N 1 1 237.387 3.376 20 30 BGEDMO C=C(C)CC[N@H+](C)[C@H](COC)Cc1ccccc1 ZINC000510764599 526440669 /nfs/dbraw/zinc/44/06/69/526440669.db2.gz PHGAGOXGMRXYCG-INIZCTEOSA-N 1 1 247.382 3.142 20 30 BGEDMO C=C(C)CC[N@H+](C)[C@@H](COC)Cc1ccccc1 ZINC000510764600 526438124 /nfs/dbraw/zinc/43/81/24/526438124.db2.gz PHGAGOXGMRXYCG-MRXNPFEDSA-N 1 1 247.382 3.142 20 30 BGEDMO C=C(C)CC[N@H+](CCOC)C[C@H]1CC=CCC1 ZINC000510777559 526441134 /nfs/dbraw/zinc/44/11/34/526441134.db2.gz LEZPFHCPZQCSQX-HNNXBMFYSA-N 1 1 237.387 3.257 20 30 BGEDMO C=C(C)CC[N@H+](CCOC)C[C@@H]1CC=CCC1 ZINC000510777562 526440656 /nfs/dbraw/zinc/44/06/56/526440656.db2.gz LEZPFHCPZQCSQX-OAHLLOKOSA-N 1 1 237.387 3.257 20 30 BGEDMO C=C(C)CC[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000510783523 526439060 /nfs/dbraw/zinc/43/90/60/526439060.db2.gz TWTNRZYQFXAIMM-UHFFFAOYSA-N 1 1 235.375 3.105 20 30 BGEDMO C=C(C)CC[N@@H+]1CCC[C@@]1(CCC)COC ZINC000510799212 526443671 /nfs/dbraw/zinc/44/36/71/526443671.db2.gz RQVHXCRMWHGSFP-AWEZNQCLSA-N 1 1 225.376 3.234 20 30 BGEDMO C=C(C)CC[N@@H+]1CCC[C@]1(CCC)COC ZINC000510799218 526445271 /nfs/dbraw/zinc/44/52/71/526445271.db2.gz RQVHXCRMWHGSFP-CQSZACIVSA-N 1 1 225.376 3.234 20 30 BGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000510799615 526447178 /nfs/dbraw/zinc/44/71/78/526447178.db2.gz SZZNNPNESSDXJS-NXEZZACHSA-N 1 1 221.266 3.225 20 30 BGEDMO C=C(C)CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000510799616 526447989 /nfs/dbraw/zinc/44/79/89/526447989.db2.gz SZZNNPNESSDXJS-UWVGGRQHSA-N 1 1 221.266 3.225 20 30 BGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000510799618 526447250 /nfs/dbraw/zinc/44/72/50/526447250.db2.gz SZZNNPNESSDXJS-VHSXEESVSA-N 1 1 221.266 3.225 20 30 BGEDMO C=C(C)CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000510799620 526447489 /nfs/dbraw/zinc/44/74/89/526447489.db2.gz SZZNNPNESSDXJS-ZJUUUORDSA-N 1 1 221.266 3.225 20 30 BGEDMO C=C(C)CC[N@H+](CCC)[C@H](CC)C(=O)OCC ZINC000510807824 526441336 /nfs/dbraw/zinc/44/13/36/526441336.db2.gz DQSFFAYFYRMOJI-CYBMUJFWSA-N 1 1 241.375 3.006 20 30 BGEDMO C=C(C)CC[N@H+](CCC)[C@@H](CC)C(=O)OCC ZINC000510807825 526440444 /nfs/dbraw/zinc/44/04/44/526440444.db2.gz DQSFFAYFYRMOJI-ZDUSSCGKSA-N 1 1 241.375 3.006 20 30 BGEDMO C=C(C)CC[N@H+]1CCc2cccc(OC)c2CC1 ZINC000510810044 526447474 /nfs/dbraw/zinc/44/74/74/526447474.db2.gz KHZLLCVMYANZOQ-UHFFFAOYSA-N 1 1 245.366 3.062 20 30 BGEDMO C=C(C)CC[N@H+]1CCc2cccc(C)c2C1 ZINC000510811632 526447567 /nfs/dbraw/zinc/44/75/67/526447567.db2.gz NGDLFRIWMVOVQQ-UHFFFAOYSA-N 1 1 215.340 3.319 20 30 BGEDMO C=C(CC)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511125361 526851526 /nfs/dbraw/zinc/85/15/26/526851526.db2.gz MFRSNVGQKSMCFH-UHFFFAOYSA-N 1 1 248.326 3.035 20 30 BGEDMO CC#CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511855035 526365206 /nfs/dbraw/zinc/36/52/06/526365206.db2.gz LNOKMXHCNHLWJG-BBWFWOEESA-N 1 1 239.362 3.278 20 30 BGEDMO CC#CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511855036 526364246 /nfs/dbraw/zinc/36/42/46/526364246.db2.gz LNOKMXHCNHLWJG-BRWVUGGUSA-N 1 1 239.362 3.278 20 30 BGEDMO CC#CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511855037 526365004 /nfs/dbraw/zinc/36/50/04/526365004.db2.gz LNOKMXHCNHLWJG-GVDBMIGSSA-N 1 1 239.362 3.278 20 30 BGEDMO CC#CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511855038 386284590 /nfs/dbraw/zinc/28/45/90/386284590.db2.gz LNOKMXHCNHLWJG-ZACQAIPSSA-N 1 1 239.362 3.278 20 30 BGEDMO C=CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511860327 526518918 /nfs/dbraw/zinc/51/89/18/526518918.db2.gz QADKLHXRWIHMGT-ARFHVFGLSA-N 1 1 227.351 3.441 20 30 BGEDMO C=CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511860328 526518951 /nfs/dbraw/zinc/51/89/51/526518951.db2.gz QADKLHXRWIHMGT-BZUAXINKSA-N 1 1 227.351 3.441 20 30 BGEDMO C=CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511860329 526519973 /nfs/dbraw/zinc/51/99/73/526519973.db2.gz QADKLHXRWIHMGT-OAGGEKHMSA-N 1 1 227.351 3.441 20 30 BGEDMO C=CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511860330 526519428 /nfs/dbraw/zinc/51/94/28/526519428.db2.gz QADKLHXRWIHMGT-XHSDSOJGSA-N 1 1 227.351 3.441 20 30 BGEDMO C=CC[N@H+](CCc1ccccc1)CC(C)C ZINC000512046177 526312296 /nfs/dbraw/zinc/31/22/96/526312296.db2.gz RAUXYSPCTWUKGZ-UHFFFAOYSA-N 1 1 217.356 3.373 20 30 BGEDMO CC#CC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000512246031 526363143 /nfs/dbraw/zinc/36/31/43/526363143.db2.gz SLURMOFSKIXKES-CYBMUJFWSA-N 1 1 213.324 3.235 20 30 BGEDMO CC#CC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000512246032 526362071 /nfs/dbraw/zinc/36/20/71/526362071.db2.gz SLURMOFSKIXKES-ZDUSSCGKSA-N 1 1 213.324 3.235 20 30 BGEDMO C=CC[N@H+](C)C/C(C)=C\c1ccccc1COC ZINC000512705576 527573290 /nfs/dbraw/zinc/57/32/90/527573290.db2.gz MFPQMOPGHFKWPS-KAMYIIQDSA-N 1 1 245.366 3.354 20 30 BGEDMO C=CC[N@H+](C)C/C(C)=C/c1ccccc1COC ZINC000512705577 527573487 /nfs/dbraw/zinc/57/34/87/527573487.db2.gz MFPQMOPGHFKWPS-SDNWHVSQSA-N 1 1 245.366 3.354 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512826986 527251242 /nfs/dbraw/zinc/25/12/42/527251242.db2.gz HUWKNDQQQXRARA-NEPJUHHUSA-N 1 1 247.329 3.292 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512826987 527275710 /nfs/dbraw/zinc/27/57/10/527275710.db2.gz HUWKNDQQQXRARA-NWDGAFQWSA-N 1 1 247.329 3.292 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512826988 527275266 /nfs/dbraw/zinc/27/52/66/527275266.db2.gz HUWKNDQQQXRARA-RYUDHWBXSA-N 1 1 247.329 3.292 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512826989 527251553 /nfs/dbraw/zinc/25/15/53/527251553.db2.gz HUWKNDQQQXRARA-VXGBXAGGSA-N 1 1 247.329 3.292 20 30 BGEDMO C=CCCCCC[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512844395 527134349 /nfs/dbraw/zinc/13/43/49/527134349.db2.gz NDCYXQYALMDRAH-GFCCVEGCSA-N 1 1 247.329 3.294 20 30 BGEDMO C=CCCCCC[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512844397 527134831 /nfs/dbraw/zinc/13/48/31/527134831.db2.gz NDCYXQYALMDRAH-LBPRGKRZSA-N 1 1 247.329 3.294 20 30 BGEDMO C=C(C)CC[N@@H+](CCC)CCN1CCCCC1 ZINC000513134043 526441173 /nfs/dbraw/zinc/44/11/73/526441173.db2.gz RYLBCNCFZRQOHM-UHFFFAOYSA-N 1 1 238.419 3.151 20 30 BGEDMO C=CCCC[N@H+](CCC)CCN1CCCCC1 ZINC000513158701 527195459 /nfs/dbraw/zinc/19/54/59/527195459.db2.gz INSORXJPJNIWEG-UHFFFAOYSA-N 1 1 238.419 3.151 20 30 BGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000513209194 527132462 /nfs/dbraw/zinc/13/24/62/527132462.db2.gz GYVAEQSZRCBCHM-LLVKDONJSA-N 1 1 217.303 3.462 20 30 BGEDMO C=CCCCCC[N@H+]1CCC[C@@H]1C(F)F ZINC000513209194 527132459 /nfs/dbraw/zinc/13/24/59/527132459.db2.gz GYVAEQSZRCBCHM-LLVKDONJSA-N 1 1 217.303 3.462 20 30 BGEDMO CC#CC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513267882 487684844 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/nfs/dbraw/zinc/51/94/72/388519472.db2.gz KIYBLSCOACYDIU-UHFFFAOYSA-N 1 1 220.360 3.191 20 30 BGEDMO CC1(C)CC(C[N@@H+](CCC#N)CC2CC2)C1 ZINC000528397502 387585516 /nfs/dbraw/zinc/58/55/16/387585516.db2.gz CWTYYEXGKGYMOB-UHFFFAOYSA-N 1 1 220.360 3.048 20 30 BGEDMO C[C@H](C#N)C[N@@H+](CC1CC(C)(C)C1)C1CC1 ZINC000528421221 388521853 /nfs/dbraw/zinc/52/18/53/388521853.db2.gz PKXSXOWLVZBHAH-LLVKDONJSA-N 1 1 220.360 3.047 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](CC1CC(C)(C)C1)C1CC1 ZINC000528421226 388522666 /nfs/dbraw/zinc/52/26/66/388522666.db2.gz PKXSXOWLVZBHAH-NSHDSACASA-N 1 1 220.360 3.047 20 30 BGEDMO C=CC[N@H+](C)Cc1nc2cc(C)ccc2s1 ZINC000528461700 323183883 /nfs/dbraw/zinc/18/38/83/323183883.db2.gz BNRUTRBFKOTIBR-UHFFFAOYSA-N 1 1 232.352 3.223 20 30 BGEDMO C=CC[N@@H+](C)Cc1nc2cc(C)ccc2s1 ZINC000528461700 323183882 /nfs/dbraw/zinc/18/38/82/323183882.db2.gz BNRUTRBFKOTIBR-UHFFFAOYSA-N 1 1 232.352 3.223 20 30 BGEDMO C=CCC[N@H+](C)Cc1cccnc1C(F)(F)F ZINC000528469880 388531143 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/nfs/dbraw/zinc/57/03/69/388570369.db2.gz KPNRRASSHXHKKY-CQSZACIVSA-N 1 1 246.329 3.307 20 30 BGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCCC(C)(C)C#N ZINC000528769736 387658782 /nfs/dbraw/zinc/65/87/82/387658782.db2.gz SNFGMAMYHGVYJO-LLVKDONJSA-N 1 1 244.329 3.436 20 30 BGEDMO C[C@H]1CC(F)(F)CC[N@H+]1CCCC(C)(C)C#N ZINC000528769752 387658229 /nfs/dbraw/zinc/65/82/29/387658229.db2.gz SNFGMAMYHGVYJO-NSHDSACASA-N 1 1 244.329 3.436 20 30 BGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1CC#Cc1ccccc1 ZINC000528772042 387698630 /nfs/dbraw/zinc/69/86/30/387698630.db2.gz KDUHXOJFTSLFJC-CYBMUJFWSA-N 1 1 249.304 3.158 20 30 BGEDMO C[C@@H]1CC(F)(F)CC[N@@H+]1CC#Cc1ccccc1 ZINC000528772042 387698626 /nfs/dbraw/zinc/69/86/26/387698626.db2.gz KDUHXOJFTSLFJC-CYBMUJFWSA-N 1 1 249.304 3.158 20 30 BGEDMO C[C@H]1CC(F)(F)CC[N@H+]1CC#Cc1ccccc1 ZINC000528772051 387698101 /nfs/dbraw/zinc/69/81/01/387698101.db2.gz KDUHXOJFTSLFJC-ZDUSSCGKSA-N 1 1 249.304 3.158 20 30 BGEDMO C[C@H]1CC(F)(F)CC[N@@H+]1CC#Cc1ccccc1 ZINC000528772051 387698094 /nfs/dbraw/zinc/69/80/94/387698094.db2.gz KDUHXOJFTSLFJC-ZDUSSCGKSA-N 1 1 249.304 3.158 20 30 BGEDMO C[C@H]1CC(F)(F)CC[N@H+]1CCC(C)(C)C#N ZINC000528773406 387691455 /nfs/dbraw/zinc/69/14/55/387691455.db2.gz QAYLDZQOZOTLSM-JTQLQIEISA-N 1 1 230.302 3.046 20 30 BGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCC(C)(C)C#N ZINC000528773411 387693137 /nfs/dbraw/zinc/69/31/37/387693137.db2.gz QAYLDZQOZOTLSM-SNVBAGLBSA-N 1 1 230.302 3.046 20 30 BGEDMO C=C(C)CC[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000528775235 388571327 /nfs/dbraw/zinc/57/13/27/388571327.db2.gz XENWLTOHMUZBJT-JTQLQIEISA-N 1 1 203.276 3.072 20 30 BGEDMO C=C(C)CC[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528775240 388571162 /nfs/dbraw/zinc/57/11/62/388571162.db2.gz XENWLTOHMUZBJT-SNVBAGLBSA-N 1 1 203.276 3.072 20 30 BGEDMO C=CC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528791013 388573995 /nfs/dbraw/zinc/57/39/95/388573995.db2.gz AQSAGSWUDLRLGF-UHFFFAOYSA-N 1 1 241.256 3.250 20 30 BGEDMO C=CC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528791013 388573993 /nfs/dbraw/zinc/57/39/93/388573993.db2.gz AQSAGSWUDLRLGF-UHFFFAOYSA-N 1 1 241.256 3.250 20 30 BGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc2cc[nH]c2c1 ZINC000529523961 324323218 /nfs/dbraw/zinc/32/32/18/324323218.db2.gz HCNLNKKYFLWEHG-UHFFFAOYSA-N 1 1 241.338 3.292 20 30 BGEDMO CC(C)[N@H+](CCC#N)Cc1ccc2cc[nH]c2c1 ZINC000529523961 324323214 /nfs/dbraw/zinc/32/32/14/324323214.db2.gz HCNLNKKYFLWEHG-UHFFFAOYSA-N 1 1 241.338 3.292 20 30 BGEDMO CC[N@H+](Cc1ccc2cc[nH]c2c1)C[C@H](C)C#N ZINC000529524567 324324517 /nfs/dbraw/zinc/32/45/17/324324517.db2.gz FQFCBKUXNAGLSD-GFCCVEGCSA-N 1 1 241.338 3.149 20 30 BGEDMO CC[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@H](C)C#N ZINC000529524567 324324514 /nfs/dbraw/zinc/32/45/14/324324514.db2.gz FQFCBKUXNAGLSD-GFCCVEGCSA-N 1 1 241.338 3.149 20 30 BGEDMO CC[N@H+](Cc1ccc2cc[nH]c2c1)C[C@@H](C)C#N ZINC000529524568 324324554 /nfs/dbraw/zinc/32/45/54/324324554.db2.gz FQFCBKUXNAGLSD-LBPRGKRZSA-N 1 1 241.338 3.149 20 30 BGEDMO CC[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@@H](C)C#N ZINC000529524568 324324551 /nfs/dbraw/zinc/32/45/51/324324551.db2.gz FQFCBKUXNAGLSD-LBPRGKRZSA-N 1 1 241.338 3.149 20 30 BGEDMO C=CC[N@H+](C)Cc1ccsc1C(F)(F)F ZINC000529551012 324338467 /nfs/dbraw/zinc/33/84/67/324338467.db2.gz MSHBUEYTTIFRPF-UHFFFAOYSA-N 1 1 235.274 3.385 20 30 BGEDMO C=CC[N@@H+](C)Cc1ccsc1C(F)(F)F ZINC000529551012 324338464 /nfs/dbraw/zinc/33/84/64/324338464.db2.gz MSHBUEYTTIFRPF-UHFFFAOYSA-N 1 1 235.274 3.385 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000529555332 324340933 /nfs/dbraw/zinc/34/09/33/324340933.db2.gz LLMBLFXQXQAYEG-UHFFFAOYSA-N 1 1 214.312 3.176 20 30 BGEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)CC(C)(C)C#N ZINC000529586640 324353648 /nfs/dbraw/zinc/35/36/48/324353648.db2.gz KBUKAXWWBGLRAA-UHFFFAOYSA-N 1 1 241.338 3.149 20 30 BGEDMO C[N@H+](Cc1ccc2cc[nH]c2c1)CC(C)(C)C#N ZINC000529586640 324353645 /nfs/dbraw/zinc/35/36/45/324353645.db2.gz KBUKAXWWBGLRAA-UHFFFAOYSA-N 1 1 241.338 3.149 20 30 BGEDMO CC(C)(C#N)CCCn1cc[nH+]c1C1CC1 ZINC000530129234 388614223 /nfs/dbraw/zinc/61/42/23/388614223.db2.gz JKLXPZOKGRPVMO-UHFFFAOYSA-N 1 1 217.316 3.090 20 30 BGEDMO C=CC(C)(C)CC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000530211613 323211693 /nfs/dbraw/zinc/21/16/93/323211693.db2.gz NBADATLPZKZOEY-CABCVRRESA-N 1 1 244.382 3.323 20 30 BGEDMO C=CC(C)(C)CC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000530211615 323211745 /nfs/dbraw/zinc/21/17/45/323211745.db2.gz NBADATLPZKZOEY-GJZGRUSLSA-N 1 1 244.382 3.323 20 30 BGEDMO C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000530211620 323211384 /nfs/dbraw/zinc/21/13/84/323211384.db2.gz NBADATLPZKZOEY-HUUCEWRRSA-N 1 1 244.382 3.323 20 30 BGEDMO C=CC(C)(C)CC[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000530211621 323211469 /nfs/dbraw/zinc/21/14/69/323211469.db2.gz NBADATLPZKZOEY-LSDHHAIUSA-N 1 1 244.382 3.323 20 30 BGEDMO C=C(C)C[N@@H+](CC)C[C@@H]1CCC2(CCCC2)O1 ZINC000530366747 388652056 /nfs/dbraw/zinc/65/20/56/388652056.db2.gz SROFKUMQMZUUMK-AWEZNQCLSA-N 1 1 237.387 3.376 20 30 BGEDMO C=C(C)C[N@@H+](CC)C[C@H]1CCC2(CCCC2)O1 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C=CCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000530732727 343201676 /nfs/dbraw/zinc/20/16/76/343201676.db2.gz PLFSFNTUDRVGKB-HZPDHXFCSA-N 1 1 240.350 3.334 20 30 BGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1cccc(O)c1 ZINC000531378536 323088394 /nfs/dbraw/zinc/08/83/94/323088394.db2.gz ROXLTDMEMLBUOK-UHFFFAOYSA-N 1 1 246.354 3.154 20 30 BGEDMO C=CCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000531988655 323165011 /nfs/dbraw/zinc/16/50/11/323165011.db2.gz XXTQYUUMWVOGEF-AWEZNQCLSA-N 1 1 216.328 3.103 20 30 BGEDMO C=CCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000531988656 323165106 /nfs/dbraw/zinc/16/51/06/323165106.db2.gz XXTQYUUMWVOGEF-CQSZACIVSA-N 1 1 216.328 3.103 20 30 BGEDMO C=CCC[C@H](O)C[N@H+](CC)Cc1ccc(C)cc1 ZINC000532124418 323206953 /nfs/dbraw/zinc/20/69/53/323206953.db2.gz NBMAXBKWQWSSNJ-INIZCTEOSA-N 1 1 247.382 3.144 20 30 BGEDMO C=CCC[C@@H](O)C[N@H+](CC)Cc1ccc(C)cc1 ZINC000532124419 323206936 /nfs/dbraw/zinc/20/69/36/323206936.db2.gz NBMAXBKWQWSSNJ-MRXNPFEDSA-N 1 1 247.382 3.144 20 30 BGEDMO 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C=C(CC)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000540203895 388799679 /nfs/dbraw/zinc/79/96/79/388799679.db2.gz ASKPNTHZHXPPBP-AWEZNQCLSA-N 1 1 201.313 3.400 20 30 BGEDMO C=C(CC)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000540203896 388800172 /nfs/dbraw/zinc/80/01/72/388800172.db2.gz ASKPNTHZHXPPBP-CQSZACIVSA-N 1 1 201.313 3.400 20 30 BGEDMO C=C(CC)C[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000540204729 388800613 /nfs/dbraw/zinc/80/06/13/388800613.db2.gz LHCBFXULEPOJIS-GDBMZVCRSA-N 1 1 245.366 3.415 20 30 BGEDMO C=C(CC)C[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000540204730 388800582 /nfs/dbraw/zinc/80/05/82/388800582.db2.gz LHCBFXULEPOJIS-GOEBONIOSA-N 1 1 245.366 3.415 20 30 BGEDMO C=C(CC)C[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000540204731 388800529 /nfs/dbraw/zinc/80/05/29/388800529.db2.gz LHCBFXULEPOJIS-HOCLYGCPSA-N 1 1 245.366 3.415 20 30 BGEDMO C=C(CC)C[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000540204733 388800787 /nfs/dbraw/zinc/80/07/87/388800787.db2.gz LHCBFXULEPOJIS-ZBFHGGJFSA-N 1 1 245.366 3.415 20 30 BGEDMO C=C(CC)C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000540205342 388800772 /nfs/dbraw/zinc/80/07/72/388800772.db2.gz YROZCARDEJVRKX-INIZCTEOSA-N 1 1 245.366 3.200 20 30 BGEDMO C=C(CC)C[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000540205344 388799880 /nfs/dbraw/zinc/79/98/80/388799880.db2.gz YROZCARDEJVRKX-MRXNPFEDSA-N 1 1 245.366 3.200 20 30 BGEDMO C=C(CC)C[N@@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000540238813 388800808 /nfs/dbraw/zinc/80/08/08/388800808.db2.gz ZIPFMCRTKGVFFF-UHFFFAOYSA-N 1 1 241.375 3.005 20 30 BGEDMO C=C(CC)C[N@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000540238813 388800803 /nfs/dbraw/zinc/80/08/03/388800803.db2.gz ZIPFMCRTKGVFFF-UHFFFAOYSA-N 1 1 241.375 3.005 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+]1CCO[C@@H](CCC)C1 ZINC000540331689 388804098 /nfs/dbraw/zinc/80/40/98/388804098.db2.gz YAIYKFRSLBUQOP-KBPBESRZSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+]1CCO[C@@H](CCC)C1 ZINC000540331690 388803904 /nfs/dbraw/zinc/80/39/04/388803904.db2.gz YAIYKFRSLBUQOP-KGLIPLIRSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+]1CCO[C@H](CCC)C1 ZINC000540331691 388803792 /nfs/dbraw/zinc/80/37/92/388803792.db2.gz YAIYKFRSLBUQOP-UONOGXRCSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+]1CCO[C@H](CCC)C1 ZINC000540331692 388803239 /nfs/dbraw/zinc/80/32/39/388803239.db2.gz YAIYKFRSLBUQOP-ZIAGYGMSSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000540340408 388803773 /nfs/dbraw/zinc/80/37/73/388803773.db2.gz YURZSVSETNNADD-KKUMJFAQSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000540340409 388804075 /nfs/dbraw/zinc/80/40/75/388804075.db2.gz YURZSVSETNNADD-RRFJBIMHSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000540340410 388803227 /nfs/dbraw/zinc/80/32/27/388803227.db2.gz YURZSVSETNNADD-SOUVJXGZSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000540340411 388804085 /nfs/dbraw/zinc/80/40/85/388804085.db2.gz YURZSVSETNNADD-ZNMIVQPWSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H]2C(C)C)cc1 ZINC000540500425 388807984 /nfs/dbraw/zinc/80/79/84/388807984.db2.gz XBLKCUXHCWRMKY-INIZCTEOSA-N 1 1 245.366 3.482 20 30 BGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H]2C(C)C)cc1 ZINC000540500427 388809070 /nfs/dbraw/zinc/80/90/70/388809070.db2.gz XBLKCUXHCWRMKY-MRXNPFEDSA-N 1 1 245.366 3.482 20 30 BGEDMO C[N@@H+](CC1(C#N)CC1)[C@H]1CCCc2ccccc21 ZINC000540560946 388809524 /nfs/dbraw/zinc/80/95/24/388809524.db2.gz IQFULOCNERHGRI-HNNXBMFYSA-N 1 1 240.350 3.300 20 30 BGEDMO C[N@@H+](CC1(C#N)CC1)[C@@H]1CCCc2ccccc21 ZINC000540560947 388809632 /nfs/dbraw/zinc/80/96/32/388809632.db2.gz IQFULOCNERHGRI-OAHLLOKOSA-N 1 1 240.350 3.300 20 30 BGEDMO CC(C)[N@@H+](CCC(C)(C)C#N)Cc1ccccn1 ZINC000540663770 388812870 /nfs/dbraw/zinc/81/28/70/388812870.db2.gz BWXIVSMJURJQGE-UHFFFAOYSA-N 1 1 245.370 3.232 20 30 BGEDMO CC[N@@H+](CCc1ccccc1)CCC(C)(C)C#N ZINC000540667052 388813018 /nfs/dbraw/zinc/81/30/18/388813018.db2.gz RVLLXONVABFBJI-UHFFFAOYSA-N 1 1 244.382 3.491 20 30 BGEDMO CCC[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000540686810 388814766 /nfs/dbraw/zinc/81/47/66/388814766.db2.gz CHMWGRGSKAEPLJ-CYBMUJFWSA-N 1 1 222.376 3.438 20 30 BGEDMO CCC[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000540686812 388815654 /nfs/dbraw/zinc/81/56/54/388815654.db2.gz CHMWGRGSKAEPLJ-ZDUSSCGKSA-N 1 1 222.376 3.438 20 30 BGEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)[C@@H]2CCCC[C@H]21 ZINC000541122531 388841935 /nfs/dbraw/zinc/84/19/35/388841935.db2.gz QCDUYQQWFSGGQT-HZSPNIEDSA-N 1 1 234.387 3.437 20 30 BGEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)[C@H]2CCCC[C@H]12 ZINC000541122537 388841353 /nfs/dbraw/zinc/84/13/53/388841353.db2.gz QCDUYQQWFSGGQT-MCIONIFRSA-N 1 1 234.387 3.437 20 30 BGEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)[C@@H]2CCCC[C@@H]21 ZINC000541122539 388841786 /nfs/dbraw/zinc/84/17/86/388841786.db2.gz QCDUYQQWFSGGQT-MGPQQGTHSA-N 1 1 234.387 3.437 20 30 BGEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)[C@H]2CCCC[C@@H]12 ZINC000541122540 388841277 /nfs/dbraw/zinc/84/12/77/388841277.db2.gz QCDUYQQWFSGGQT-RDBSUJKOSA-N 1 1 234.387 3.437 20 30 BGEDMO CC(C)[N@@H+](CCC#N)[C@H](C)Cc1ccsc1 ZINC000541221189 388844676 /nfs/dbraw/zinc/84/46/76/388844676.db2.gz LVDNLVXNPVDZOK-GFCCVEGCSA-N 1 1 236.384 3.303 20 30 BGEDMO CC(C)[N@@H+](CCC#N)[C@@H](C)Cc1ccsc1 ZINC000541221193 388845024 /nfs/dbraw/zinc/84/50/24/388845024.db2.gz LVDNLVXNPVDZOK-LBPRGKRZSA-N 1 1 236.384 3.303 20 30 BGEDMO C=CCC[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000541389302 388849374 /nfs/dbraw/zinc/84/93/74/388849374.db2.gz HWYCEANJNJUYJQ-HNNXBMFYSA-N 1 1 215.340 3.360 20 30 BGEDMO C=CCC[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000541389307 388849986 /nfs/dbraw/zinc/84/99/86/388849986.db2.gz HWYCEANJNJUYJQ-OAHLLOKOSA-N 1 1 215.340 3.360 20 30 BGEDMO CC[C@@H]1CCC[C@@H](C[N@@H+](C)C[C@@H](C)C#N)C1 ZINC000541534771 388854251 /nfs/dbraw/zinc/85/42/51/388854251.db2.gz YQMDAFNEBVNGKG-BFHYXJOUSA-N 1 1 222.376 3.294 20 30 BGEDMO CC[C@@H]1CCC[C@H](C[N@@H+](C)C[C@H](C)C#N)C1 ZINC000541534836 388854163 /nfs/dbraw/zinc/85/41/63/388854163.db2.gz YQMDAFNEBVNGKG-MCIONIFRSA-N 1 1 222.376 3.294 20 30 BGEDMO CC[C@@H]1CCC[C@@H](C[N@@H+](C)C[C@H](C)C#N)C1 ZINC000541534837 388855522 /nfs/dbraw/zinc/85/55/22/388855522.db2.gz YQMDAFNEBVNGKG-MGPQQGTHSA-N 1 1 222.376 3.294 20 30 BGEDMO CC[C@@H]1CCC[C@H](C[N@@H+](C)C[C@@H](C)C#N)C1 ZINC000541534838 388855060 /nfs/dbraw/zinc/85/50/60/388855060.db2.gz YQMDAFNEBVNGKG-MJBXVCDLSA-N 1 1 222.376 3.294 20 30 BGEDMO CC(C)[N@@H+](CCC#N)C[C@@H]1CCCC[C@@H]1C ZINC000541535243 388854645 /nfs/dbraw/zinc/85/46/45/388854645.db2.gz VBCIDUSCQXQDIZ-KBPBESRZSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)[N@@H+](CCC#N)C[C@@H]1CCCC[C@H]1C ZINC000541535244 388855116 /nfs/dbraw/zinc/85/51/16/388855116.db2.gz VBCIDUSCQXQDIZ-KGLIPLIRSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)[N@@H+](CCC#N)C[C@H]1CCCC[C@@H]1C ZINC000541535245 388855226 /nfs/dbraw/zinc/85/52/26/388855226.db2.gz VBCIDUSCQXQDIZ-UONOGXRCSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)[N@@H+](CCC#N)C[C@H]1CCCC[C@H]1C ZINC000541535246 388854211 /nfs/dbraw/zinc/85/42/11/388854211.db2.gz VBCIDUSCQXQDIZ-ZIAGYGMSSA-N 1 1 222.376 3.437 20 30 BGEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000541551877 385362356 /nfs/dbraw/zinc/36/23/56/385362356.db2.gz WEFCAESPHRPGKJ-GFCCVEGCSA-N 1 1 248.395 3.488 20 30 BGEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000541551894 385365386 /nfs/dbraw/zinc/36/53/86/385365386.db2.gz WEFCAESPHRPGKJ-LBPRGKRZSA-N 1 1 248.395 3.488 20 30 BGEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000541553286 385368193 /nfs/dbraw/zinc/36/81/93/385368193.db2.gz GHYPFLTZNBGAMH-LLVKDONJSA-N 1 1 248.395 3.488 20 30 BGEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000541553288 385367112 /nfs/dbraw/zinc/36/71/12/385367112.db2.gz GHYPFLTZNBGAMH-NSHDSACASA-N 1 1 248.395 3.488 20 30 BGEDMO C=C(CC)C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000541718081 388865266 /nfs/dbraw/zinc/86/52/66/388865266.db2.gz COFSIQMJCOCNSW-HNNXBMFYSA-N 1 1 237.387 3.234 20 30 BGEDMO C=C(CC)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000541718082 388864398 /nfs/dbraw/zinc/86/43/98/388864398.db2.gz COFSIQMJCOCNSW-OAHLLOKOSA-N 1 1 237.387 3.234 20 30 BGEDMO C=CC[N@H+](Cc1ccc(C)cc1C)C1CC1 ZINC000541760049 388867139 /nfs/dbraw/zinc/86/71/39/388867139.db2.gz FDPZNYJFSHAHJO-UHFFFAOYSA-N 1 1 215.340 3.454 20 30 BGEDMO C=CC[N@@H+](CCc1ccco1)C1CCCC1 ZINC000541844237 388869813 /nfs/dbraw/zinc/86/98/13/388869813.db2.gz UJKWAIUZWBAGOL-UHFFFAOYSA-N 1 1 219.328 3.253 20 30 BGEDMO C=C(CC)C[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000542049219 325006256 /nfs/dbraw/zinc/00/62/56/325006256.db2.gz WYVYXARUHBJLOW-BFHYXJOUSA-N 1 1 207.361 3.463 20 30 BGEDMO C=C(CC)C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000542049220 325006149 /nfs/dbraw/zinc/00/61/49/325006149.db2.gz WYVYXARUHBJLOW-IHRRRGAJSA-N 1 1 207.361 3.463 20 30 BGEDMO C=C(CC)C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000542049221 325006749 /nfs/dbraw/zinc/00/67/49/325006749.db2.gz WYVYXARUHBJLOW-MELADBBJSA-N 1 1 207.361 3.463 20 30 BGEDMO C=C(CC)C[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000542049222 325006496 /nfs/dbraw/zinc/00/64/96/325006496.db2.gz WYVYXARUHBJLOW-MJBXVCDLSA-N 1 1 207.361 3.463 20 30 BGEDMO C[C@H](C#N)C[N@@H+]([C@@H](C)Cc1ccsc1)C1CC1 ZINC000542163680 325011523 /nfs/dbraw/zinc/01/15/23/325011523.db2.gz DVFTXVSJYHVYFV-NEPJUHHUSA-N 1 1 248.395 3.303 20 30 BGEDMO C[C@H](C#N)C[N@H+]([C@@H](C)Cc1ccsc1)C1CC1 ZINC000542163680 325011521 /nfs/dbraw/zinc/01/15/21/325011521.db2.gz DVFTXVSJYHVYFV-NEPJUHHUSA-N 1 1 248.395 3.303 20 30 BGEDMO C[C@@H](C#N)C[N@@H+]([C@H](C)Cc1ccsc1)C1CC1 ZINC000542163681 325011736 /nfs/dbraw/zinc/01/17/36/325011736.db2.gz DVFTXVSJYHVYFV-NWDGAFQWSA-N 1 1 248.395 3.303 20 30 BGEDMO C[C@@H](C#N)C[N@H+]([C@H](C)Cc1ccsc1)C1CC1 ZINC000542163681 325011733 /nfs/dbraw/zinc/01/17/33/325011733.db2.gz DVFTXVSJYHVYFV-NWDGAFQWSA-N 1 1 248.395 3.303 20 30 BGEDMO C[C@@H](C#N)C[N@@H+]([C@@H](C)Cc1ccsc1)C1CC1 ZINC000542163682 325011405 /nfs/dbraw/zinc/01/14/05/325011405.db2.gz DVFTXVSJYHVYFV-RYUDHWBXSA-N 1 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C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CC ZINC000545932071 364272824 /nfs/dbraw/zinc/27/28/24/364272824.db2.gz PFBRRUUNPAJXHN-OAHLLOKOSA-N 1 1 215.340 3.399 20 30 BGEDMO C=CCCCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000546022166 325259384 /nfs/dbraw/zinc/25/93/84/325259384.db2.gz IQBHFFPQVXKVBC-UHFFFAOYSA-N 1 1 229.327 3.009 20 30 BGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC000546125345 325267599 /nfs/dbraw/zinc/26/75/99/325267599.db2.gz CNTAZJJWWDFYCW-CYBMUJFWSA-N 1 1 242.366 3.426 20 30 BGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC000546125346 325267736 /nfs/dbraw/zinc/26/77/36/325267736.db2.gz CNTAZJJWWDFYCW-ZDUSSCGKSA-N 1 1 242.366 3.426 20 30 BGEDMO CC[N@H+](CC#Cc1ccc(F)cc1)CCC1CC1 ZINC000546226789 325272045 /nfs/dbraw/zinc/27/20/45/325272045.db2.gz HTWGRNNDWGRTCO-UHFFFAOYSA-N 1 1 245.341 3.299 20 30 BGEDMO C=CC[C@@H](CC)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000546666526 388469560 /nfs/dbraw/zinc/46/95/60/388469560.db2.gz JBZSYGAYHIQGBG-GFCCVEGCSA-N 1 1 229.327 3.007 20 30 BGEDMO C=CC[C@H](CC)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000546666527 388469451 /nfs/dbraw/zinc/46/94/51/388469451.db2.gz JBZSYGAYHIQGBG-LBPRGKRZSA-N 1 1 229.327 3.007 20 30 BGEDMO Cc1ccc2[nH]c(C[NH2+]C[C@@H](C)C#N)cc2c1C ZINC000546741417 325308305 /nfs/dbraw/zinc/30/83/05/325308305.db2.gz GYBYCXJCRLZONL-JTQLQIEISA-N 1 1 241.338 3.034 20 30 BGEDMO Cc1ccc2[nH]c(C[NH2+]C[C@H](C)C#N)cc2c1C ZINC000546741418 325308073 /nfs/dbraw/zinc/30/80/73/325308073.db2.gz GYBYCXJCRLZONL-SNVBAGLBSA-N 1 1 241.338 3.034 20 30 BGEDMO CC#CCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000547317794 325339586 /nfs/dbraw/zinc/33/95/86/325339586.db2.gz MYVWWWYYUKVQQQ-KKUMJFAQSA-N 1 1 219.372 3.300 20 30 BGEDMO CC#CCC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000547317795 325339682 /nfs/dbraw/zinc/33/96/82/325339682.db2.gz MYVWWWYYUKVQQQ-RRFJBIMHSA-N 1 1 219.372 3.300 20 30 BGEDMO CC#CCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000547317796 325339485 /nfs/dbraw/zinc/33/94/85/325339485.db2.gz MYVWWWYYUKVQQQ-SOUVJXGZSA-N 1 1 219.372 3.300 20 30 BGEDMO CC#CCC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000547317797 325338975 /nfs/dbraw/zinc/33/89/75/325338975.db2.gz MYVWWWYYUKVQQQ-ZNMIVQPWSA-N 1 1 219.372 3.300 20 30 BGEDMO CC#CCC[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000547317947 325339590 /nfs/dbraw/zinc/33/95/90/325339590.db2.gz MRRDZOPPVHDWPA-GFCCVEGCSA-N 1 1 231.314 3.158 20 30 BGEDMO CC#CCC[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000547317948 325339476 /nfs/dbraw/zinc/33/94/76/325339476.db2.gz MRRDZOPPVHDWPA-LBPRGKRZSA-N 1 1 231.314 3.158 20 30 BGEDMO CC#CC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000547506296 325365999 /nfs/dbraw/zinc/36/59/99/325365999.db2.gz ZYXBERKUGMJOQN-AWEZNQCLSA-N 1 1 215.340 3.320 20 30 BGEDMO CC#CC[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000547506297 325366151 /nfs/dbraw/zinc/36/61/51/325366151.db2.gz ZYXBERKUGMJOQN-CQSZACIVSA-N 1 1 215.340 3.320 20 30 BGEDMO C=CCC[N@H+](C)C(C)(C)CN1CCCCCC1 ZINC000547654168 325380104 /nfs/dbraw/zinc/38/01/04/325380104.db2.gz GSOPCCKQTRQTPT-UHFFFAOYSA-N 1 1 238.419 3.149 20 30 BGEDMO C=CCC[N@@H+](C)C(C)(C)CN1CCCCCC1 ZINC000547654168 325380102 /nfs/dbraw/zinc/38/01/02/325380102.db2.gz GSOPCCKQTRQTPT-UHFFFAOYSA-N 1 1 238.419 3.149 20 30 BGEDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000547768674 325394431 /nfs/dbraw/zinc/39/44/31/325394431.db2.gz CUQBMHJODKYOCR-BETUJISGSA-N 1 1 242.366 3.470 20 30 BGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000547769582 325395136 /nfs/dbraw/zinc/39/51/36/325395136.db2.gz XJMBMBWIQWWUET-GRYCIOLGSA-N 1 1 214.312 3.102 20 30 BGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000547769584 325394793 /nfs/dbraw/zinc/39/47/93/325394793.db2.gz XJMBMBWIQWWUET-TUAOUCFPSA-N 1 1 214.312 3.102 20 30 BGEDMO C=CC[N@H+](C)Cc1c(C)cc(C)cc1C ZINC000547970904 388499442 /nfs/dbraw/zinc/49/94/42/388499442.db2.gz UNBJWMCEHARICP-UHFFFAOYSA-N 1 1 203.329 3.230 20 30 BGEDMO C=CCOCCC[N@H+](CC)Cc1ccc(C)cc1 ZINC000548093758 388509374 /nfs/dbraw/zinc/50/93/74/388509374.db2.gz LOLHMNMZTYAHIY-UHFFFAOYSA-N 1 1 247.382 3.410 20 30 BGEDMO C=CCOCCC[N@H+](C(CC)CC)C1CC1 ZINC000548095444 388510375 /nfs/dbraw/zinc/51/03/75/388510375.db2.gz KKLLXEATFNFJOB-UHFFFAOYSA-N 1 1 225.376 3.232 20 30 BGEDMO C[C@@H]1C[C@H](C)[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000548098265 388511618 /nfs/dbraw/zinc/51/16/18/388511618.db2.gz KKRHLGKQENCPJV-TXEJJXNPSA-N 1 1 233.742 3.174 20 30 BGEDMO CC#CC[N@@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000548157161 491088492 /nfs/dbraw/zinc/08/84/92/491088492.db2.gz MOCAFSBASUTKFC-AWEZNQCLSA-N 1 1 215.340 3.320 20 30 BGEDMO CC#CC[N@@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000548157162 491088489 /nfs/dbraw/zinc/08/84/89/491088489.db2.gz MOCAFSBASUTKFC-CQSZACIVSA-N 1 1 215.340 3.320 20 30 BGEDMO CC#CC[N@H+](CC)Cc1ccc(Cl)cc1 ZINC000548159432 388518758 /nfs/dbraw/zinc/51/87/58/388518758.db2.gz QLHCZLJDHWWAMQ-UHFFFAOYSA-N 1 1 221.731 3.185 20 30 BGEDMO CC(C)[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000548405839 387529159 /nfs/dbraw/zinc/52/91/59/387529159.db2.gz AAFJDCMVRCURPC-CYBMUJFWSA-N 1 1 222.376 3.294 20 30 BGEDMO CC(C)[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000548405840 387528779 /nfs/dbraw/zinc/52/87/79/387528779.db2.gz AAFJDCMVRCURPC-ZDUSSCGKSA-N 1 1 222.376 3.294 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548424912 388358800 /nfs/dbraw/zinc/35/88/00/388358800.db2.gz GQOZNJUXBNBFAK-GRYCIOLGSA-N 1 1 214.312 3.102 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548424921 388358770 /nfs/dbraw/zinc/35/87/70/388358770.db2.gz GQOZNJUXBNBFAK-TUAOUCFPSA-N 1 1 214.312 3.102 20 30 BGEDMO N#Cc1cc(Cl)ccc1C[NH+]1C2CCC1CC2 ZINC000548485055 388361935 /nfs/dbraw/zinc/36/19/35/388361935.db2.gz JRFGNUYSNJAQAV-UHFFFAOYSA-N 1 1 246.741 3.338 20 30 BGEDMO CC#CC[N@H+](Cc1ccc(OCC)cc1)C(C)C ZINC000548486856 388543551 /nfs/dbraw/zinc/54/35/51/388543551.db2.gz VMYOIKFRGKEGAA-UHFFFAOYSA-N 1 1 245.366 3.319 20 30 BGEDMO C=CC[N@H+](Cc1ccc(F)cc1C)C1CC1 ZINC000548488696 388543428 /nfs/dbraw/zinc/54/34/28/388543428.db2.gz DBAHIIVZGKTNHO-UHFFFAOYSA-N 1 1 219.303 3.285 20 30 BGEDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000548754795 388368194 /nfs/dbraw/zinc/36/81/94/388368194.db2.gz NTLVVSSAHWBGOK-AOOOYVTPSA-N 1 1 234.730 3.194 20 30 BGEDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000548754795 388368193 /nfs/dbraw/zinc/36/81/93/388368193.db2.gz NTLVVSSAHWBGOK-AOOOYVTPSA-N 1 1 234.730 3.194 20 30 BGEDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(C#N)cc1Cl ZINC000548754797 388367925 /nfs/dbraw/zinc/36/79/25/388367925.db2.gz NTLVVSSAHWBGOK-NXEZZACHSA-N 1 1 234.730 3.194 20 30 BGEDMO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(C#N)cc1Cl ZINC000548754798 325478997 /nfs/dbraw/zinc/47/89/97/325478997.db2.gz NTLVVSSAHWBGOK-UWVGGRQHSA-N 1 1 234.730 3.194 20 30 BGEDMO C[C@@H]1C[C@H](C)[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000548754812 388557710 /nfs/dbraw/zinc/55/77/10/388557710.db2.gz OKMSSYJBICQSJN-TXEJJXNPSA-N 1 1 233.742 3.174 20 30 BGEDMO C=C(CC)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928097 388569252 /nfs/dbraw/zinc/56/92/52/388569252.db2.gz ORIKKDMKXYMRLO-UHFFFAOYSA-N 1 1 248.326 3.035 20 30 BGEDMO CC#CCC[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000548929917 388569834 /nfs/dbraw/zinc/56/98/34/388569834.db2.gz ABBHXEZMWWLGFA-CYBMUJFWSA-N 1 1 207.361 3.300 20 30 BGEDMO C=CC[N@@H+](C[C@@H]1CCC2(CCCC2)O1)C1CC1 ZINC000549136049 388573589 /nfs/dbraw/zinc/57/35/89/388573589.db2.gz KFJIAXAIKVVEKF-AWEZNQCLSA-N 1 1 235.371 3.129 20 30 BGEDMO C=CC[N@@H+](C[C@H]1CCC2(CCCC2)O1)C1CC1 ZINC000549136057 388573568 /nfs/dbraw/zinc/57/35/68/388573568.db2.gz KFJIAXAIKVVEKF-CQSZACIVSA-N 1 1 235.371 3.129 20 30 BGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)C1CCCCC1 ZINC000549159784 487724021 /nfs/dbraw/zinc/72/40/21/487724021.db2.gz SWKMIIRCDUWTCZ-HIFRSBDPSA-N 1 1 239.403 3.214 20 30 BGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)C1CCCCC1 ZINC000549159785 487723791 /nfs/dbraw/zinc/72/37/91/487723791.db2.gz SWKMIIRCDUWTCZ-UKRRQHHQSA-N 1 1 239.403 3.214 20 30 BGEDMO C=CCC[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000549340655 388576585 /nfs/dbraw/zinc/57/65/85/388576585.db2.gz CHCGHZVETQGZSY-HNNXBMFYSA-N 1 1 233.330 3.365 20 30 BGEDMO C=CCC[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000549340662 388577109 /nfs/dbraw/zinc/57/71/09/388577109.db2.gz CHCGHZVETQGZSY-OAHLLOKOSA-N 1 1 233.330 3.365 20 30 BGEDMO C=CCC[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000549344511 388576820 /nfs/dbraw/zinc/57/68/20/388576820.db2.gz FHKVBHCVSIQFOS-AWEZNQCLSA-N 1 1 217.356 3.434 20 30 BGEDMO C=CCC[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000549344512 388576314 /nfs/dbraw/zinc/57/63/14/388576314.db2.gz FHKVBHCVSIQFOS-CQSZACIVSA-N 1 1 217.356 3.434 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549407482 388578404 /nfs/dbraw/zinc/57/84/04/388578404.db2.gz CSSOFCJRPORWAA-MNOVXSKESA-N 1 1 233.302 3.045 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549407484 388578475 /nfs/dbraw/zinc/57/84/75/388578475.db2.gz CSSOFCJRPORWAA-QWRGUYRKSA-N 1 1 233.302 3.045 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000549464860 388581312 /nfs/dbraw/zinc/58/13/12/388581312.db2.gz IXTAXEOLGCESHN-KBPBESRZSA-N 1 1 220.360 3.357 20 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C=CCOCC[N@@H+](CC1CCCCC1)C1CC1 ZINC000549768485 388590670 /nfs/dbraw/zinc/59/06/70/388590670.db2.gz MNNSTIUIYCPOIJ-UHFFFAOYSA-N 1 1 237.387 3.234 20 30 BGEDMO C=CCOCC[N@@H+](C)CCCCc1ccccc1 ZINC000549769028 388590865 /nfs/dbraw/zinc/59/08/65/388590865.db2.gz QCLYUDWYUNXGBT-UHFFFAOYSA-N 1 1 247.382 3.144 20 30 BGEDMO C=CCOCC[N@H+](CCCCC)C(C)C ZINC000549770561 388590131 /nfs/dbraw/zinc/59/01/31/388590131.db2.gz NQLAOUWAFHJPTH-UHFFFAOYSA-N 1 1 213.365 3.090 20 30 BGEDMO C=CCOCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000549770588 388590794 /nfs/dbraw/zinc/59/07/94/388590794.db2.gz PFFWNFJPXRKBEM-KKUMJFAQSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CCOCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000549770589 388590105 /nfs/dbraw/zinc/59/01/05/388590105.db2.gz PFFWNFJPXRKBEM-RRFJBIMHSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CCOCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000549770590 388590878 /nfs/dbraw/zinc/59/08/78/388590878.db2.gz PFFWNFJPXRKBEM-SOUVJXGZSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CCOCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000549770591 388589331 /nfs/dbraw/zinc/58/93/31/388589331.db2.gz PFFWNFJPXRKBEM-ZNMIVQPWSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CCOCC[N@H+](CC)Cc1ccc(C)cc1 ZINC000549796591 388591524 /nfs/dbraw/zinc/59/15/24/388591524.db2.gz CZNFKYCDGJBVDD-UHFFFAOYSA-N 1 1 233.355 3.020 20 30 BGEDMO C=CCOCC[N@H+](C)CCC1CCCCC1 ZINC000549806851 388591455 /nfs/dbraw/zinc/59/14/55/388591455.db2.gz VPHJIVQMAHIFMY-UHFFFAOYSA-N 1 1 225.376 3.091 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000549846025 388592242 /nfs/dbraw/zinc/59/22/42/388592242.db2.gz UBLIFQQGDSJFRO-KFWWJZLASA-N 1 1 234.387 3.437 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000549846042 388592342 /nfs/dbraw/zinc/59/23/42/388592342.db2.gz UBLIFQQGDSJFRO-RBSFLKMASA-N 1 1 234.387 3.437 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000549846044 388593006 /nfs/dbraw/zinc/59/30/06/388593006.db2.gz UBLIFQQGDSJFRO-RRFJBIMHSA-N 1 1 234.387 3.437 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000549846045 388592762 /nfs/dbraw/zinc/59/27/62/388592762.db2.gz UBLIFQQGDSJFRO-ZNMIVQPWSA-N 1 1 234.387 3.437 20 30 BGEDMO C=CCOCC[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000549846199 388592606 /nfs/dbraw/zinc/59/26/06/388592606.db2.gz WDVXLTLUQKWCLX-AWEZNQCLSA-N 1 1 239.403 3.337 20 30 BGEDMO C=CCOCC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000549846226 388592251 /nfs/dbraw/zinc/59/22/51/388592251.db2.gz WDVXLTLUQKWCLX-CQSZACIVSA-N 1 1 239.403 3.337 20 30 BGEDMO C=CCOCC[N@H+](C)[C@H]1CCCC[C@@H]1CC ZINC000549945478 388595621 /nfs/dbraw/zinc/59/56/21/388595621.db2.gz DQMOVHQVKJRTLY-KBPBESRZSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCOCC[N@H+](C)[C@H]1CCCC[C@H]1CC ZINC000549945479 388595293 /nfs/dbraw/zinc/59/52/93/388595293.db2.gz DQMOVHQVKJRTLY-KGLIPLIRSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCOCC[N@H+](C)[C@@H]1CCCC[C@@H]1CC ZINC000549945480 388595891 /nfs/dbraw/zinc/59/58/91/388595891.db2.gz DQMOVHQVKJRTLY-UONOGXRCSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCOCC[N@H+](C)[C@@H]1CCCC[C@H]1CC ZINC000549945481 388595288 /nfs/dbraw/zinc/59/52/88/388595288.db2.gz DQMOVHQVKJRTLY-ZIAGYGMSSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCOCC[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000549999703 388596344 /nfs/dbraw/zinc/59/63/44/388596344.db2.gz JNFNWUGPSFVOBH-HNNXBMFYSA-N 1 1 247.382 3.060 20 30 BGEDMO C=CCOCC[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000549999704 388596298 /nfs/dbraw/zinc/59/62/98/388596298.db2.gz JNFNWUGPSFVOBH-OAHLLOKOSA-N 1 1 247.382 3.060 20 30 BGEDMO C=CCOCC[N@H+](CC(=C)C)Cc1ccccc1 ZINC000550000188 388596264 /nfs/dbraw/zinc/59/62/64/388596264.db2.gz PBQIYGNYHXWXDI-UHFFFAOYSA-N 1 1 245.366 3.267 20 30 BGEDMO C(#Cc1ccccc1)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000550049601 388597531 /nfs/dbraw/zinc/59/75/31/388597531.db2.gz SUWRVEYSDJULRW-KRWDZBQOSA-N 1 1 239.362 3.160 20 30 BGEDMO C(#Cc1ccccc1)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000550049602 388597747 /nfs/dbraw/zinc/59/77/47/388597747.db2.gz SUWRVEYSDJULRW-QGZVFWFLSA-N 1 1 239.362 3.160 20 30 BGEDMO C=CCCC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000550072723 388598008 /nfs/dbraw/zinc/59/80/08/388598008.db2.gz RUIOFDMKJRBEHY-CHWSQXEVSA-N 1 1 207.361 3.463 20 30 BGEDMO C=CCCC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000550072724 388597376 /nfs/dbraw/zinc/59/73/76/388597376.db2.gz RUIOFDMKJRBEHY-OLZOCXBDSA-N 1 1 207.361 3.463 20 30 BGEDMO C=CCCC[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000550072725 388597944 /nfs/dbraw/zinc/59/79/44/388597944.db2.gz RUIOFDMKJRBEHY-QWHCGFSZSA-N 1 1 207.361 3.463 20 30 BGEDMO C=CCCC[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000550072726 388598063 /nfs/dbraw/zinc/59/80/63/388598063.db2.gz RUIOFDMKJRBEHY-STQMWFEESA-N 1 1 207.361 3.463 20 30 BGEDMO C=CCOCC[N@@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000550105344 388598916 /nfs/dbraw/zinc/59/89/16/388598916.db2.gz AHQXWOHYLGWPBT-KBPBESRZSA-N 1 1 239.403 3.336 20 30 BGEDMO C=CCOCC[N@@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000550105345 388598547 /nfs/dbraw/zinc/59/85/47/388598547.db2.gz AHQXWOHYLGWPBT-KGLIPLIRSA-N 1 1 239.403 3.336 20 30 BGEDMO C=CCOCC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000550105346 388598857 /nfs/dbraw/zinc/59/88/57/388598857.db2.gz AHQXWOHYLGWPBT-UONOGXRCSA-N 1 1 239.403 3.336 20 30 BGEDMO C=CCOCC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000550105347 388598779 /nfs/dbraw/zinc/59/87/79/388598779.db2.gz AHQXWOHYLGWPBT-ZIAGYGMSSA-N 1 1 239.403 3.336 20 30 BGEDMO CC#CC[N@@H+](C)CC1CCC(C(F)(F)F)CC1 ZINC000550129163 388600176 /nfs/dbraw/zinc/60/01/76/388600176.db2.gz VUUWWSZSJOQYND-UHFFFAOYSA-N 1 1 247.304 3.310 20 30 BGEDMO CC#CC[N@@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000550141414 388601068 /nfs/dbraw/zinc/60/10/68/388601068.db2.gz UUDMTYKIXOYLPD-JTQLQIEISA-N 1 1 239.721 3.495 20 30 BGEDMO CC#CC[N@@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000550141415 388600999 /nfs/dbraw/zinc/60/09/99/388600999.db2.gz UUDMTYKIXOYLPD-SNVBAGLBSA-N 1 1 239.721 3.495 20 30 BGEDMO C=CCC(C)(C)C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000550230001 388602725 /nfs/dbraw/zinc/60/27/25/388602725.db2.gz XCQVSQNFZQHZFC-UHFFFAOYSA-N 1 1 243.354 3.255 20 30 BGEDMO CC1=CC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000550400634 388607487 /nfs/dbraw/zinc/60/74/87/388607487.db2.gz QNONFOKXZNBZQR-UHFFFAOYSA-N 1 1 245.753 3.344 20 30 BGEDMO CC#CC[N@@H+](C)[C@H]1CCc2ccc(Cl)cc21 ZINC000550491907 388609597 /nfs/dbraw/zinc/60/95/97/388609597.db2.gz UWMJMZNAGAUTCQ-AWEZNQCLSA-N 1 1 233.742 3.282 20 30 BGEDMO CC#CC[N@@H+](C)[C@@H]1CCc2ccc(Cl)cc21 ZINC000550491908 388609212 /nfs/dbraw/zinc/60/92/12/388609212.db2.gz UWMJMZNAGAUTCQ-CQSZACIVSA-N 1 1 233.742 3.282 20 30 BGEDMO CC#CC[N@H+](C)[C@@H](CC)c1ccccc1 ZINC000550491909 388609321 /nfs/dbraw/zinc/60/93/21/388609321.db2.gz UXJWNRPTBULBAC-AWEZNQCLSA-N 1 1 201.313 3.093 20 30 BGEDMO CC#CC[N@H+](C)[C@H](CC)c1ccccc1 ZINC000550491910 388609925 /nfs/dbraw/zinc/60/99/25/388609925.db2.gz UXJWNRPTBULBAC-CQSZACIVSA-N 1 1 201.313 3.093 20 30 BGEDMO CC#CC[N@@H+](C)CCSC1CCCCC1 ZINC000550502801 388609681 /nfs/dbraw/zinc/60/96/81/388609681.db2.gz SGNAZJXJQWPFDT-UHFFFAOYSA-N 1 1 225.401 3.007 20 30 BGEDMO CC#CC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1F ZINC000550503380 364562882 /nfs/dbraw/zinc/56/28/82/364562882.db2.gz JUVNFKDKNFYEFQ-JTQLQIEISA-N 1 1 239.721 3.495 20 30 BGEDMO CC#CC[N@H+](C)[C@@H](C)c1cccc(Cl)c1F ZINC000550503380 364562879 /nfs/dbraw/zinc/56/28/79/364562879.db2.gz JUVNFKDKNFYEFQ-JTQLQIEISA-N 1 1 239.721 3.495 20 30 BGEDMO CC#CC[N@@H+](C)[C@H](C)c1cccc(Cl)c1F ZINC000550503381 364562370 /nfs/dbraw/zinc/56/23/70/364562370.db2.gz JUVNFKDKNFYEFQ-SNVBAGLBSA-N 1 1 239.721 3.495 20 30 BGEDMO CC#CC[N@H+](C)[C@H](C)c1cccc(Cl)c1F ZINC000550503381 364562365 /nfs/dbraw/zinc/56/23/65/364562365.db2.gz JUVNFKDKNFYEFQ-SNVBAGLBSA-N 1 1 239.721 3.495 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1cc(C)c(O)c(C)c1 ZINC000550916189 388617691 /nfs/dbraw/zinc/61/76/91/388617691.db2.gz IZYNKTJBZWOFBR-UHFFFAOYSA-N 1 1 233.355 3.407 20 30 BGEDMO CC[N@H+](CC(C(C)C)C(C)C)C[C@H](C)C#N ZINC000551559930 388633790 /nfs/dbraw/zinc/63/37/90/388633790.db2.gz VAXNLGJIBTUSMZ-CYBMUJFWSA-N 1 1 224.392 3.396 20 30 BGEDMO CC[N@H+](CC(C(C)C)C(C)C)C[C@@H](C)C#N ZINC000551559933 388633387 /nfs/dbraw/zinc/63/33/87/388633387.db2.gz VAXNLGJIBTUSMZ-ZDUSSCGKSA-N 1 1 224.392 3.396 20 30 BGEDMO C=CC[N@H+](CCOC)CC(C(C)C)C(C)C ZINC000551584146 388634471 /nfs/dbraw/zinc/63/44/71/388634471.db2.gz GLZDFZRDFALDEU-UHFFFAOYSA-N 1 1 227.392 3.049 20 30 BGEDMO CC(C)C(C[N@@H+](C)C[C@H](C)C#N)C(C)C ZINC000551806303 388641591 /nfs/dbraw/zinc/64/15/91/388641591.db2.gz LNVJGTITCMYNGC-GFCCVEGCSA-N 1 1 210.365 3.006 20 30 BGEDMO CC(C)C(C[N@@H+](C)C[C@@H](C)C#N)C(C)C ZINC000551806304 388641008 /nfs/dbraw/zinc/64/10/08/388641008.db2.gz LNVJGTITCMYNGC-LBPRGKRZSA-N 1 1 210.365 3.006 20 30 BGEDMO CC[N@@H+](CCC#N)CC(C(C)C)C(C)C ZINC000551807510 388642497 /nfs/dbraw/zinc/64/24/97/388642497.db2.gz JNGGDTBMSNKDRD-UHFFFAOYSA-N 1 1 210.365 3.150 20 30 BGEDMO CCC[N@@H+](CC#N)CC(C(C)C)C(C)C ZINC000551809094 388642218 /nfs/dbraw/zinc/64/22/18/388642218.db2.gz YPFYDHSOHWPCEU-UHFFFAOYSA-N 1 1 210.365 3.150 20 30 BGEDMO CCC[N@H+](CC#N)CC(C(C)C)C(C)C ZINC000551809094 388642217 /nfs/dbraw/zinc/64/22/17/388642217.db2.gz YPFYDHSOHWPCEU-UHFFFAOYSA-N 1 1 210.365 3.150 20 30 BGEDMO C=C(C)CC[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000551974518 388650650 /nfs/dbraw/zinc/65/06/50/388650650.db2.gz HPHJJAXSYFQDLQ-INIZCTEOSA-N 1 1 245.366 3.335 20 30 BGEDMO C=C(C)CC[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000551974519 388650559 /nfs/dbraw/zinc/65/05/59/388650559.db2.gz HPHJJAXSYFQDLQ-MRXNPFEDSA-N 1 1 245.366 3.335 20 30 BGEDMO C=C(C)CC[N@@H+](Cc1ccccn1)C(C)C ZINC000551976586 388650586 /nfs/dbraw/zinc/65/05/86/388650586.db2.gz VNPDHTAVUZOJTE-UHFFFAOYSA-N 1 1 218.344 3.258 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000552069605 388665890 /nfs/dbraw/zinc/66/58/90/388665890.db2.gz OUAYWUSAPDFREN-AWEZNQCLSA-N 1 1 216.328 3.185 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000552069606 388666553 /nfs/dbraw/zinc/66/65/53/388666553.db2.gz OUAYWUSAPDFREN-CQSZACIVSA-N 1 1 216.328 3.185 20 30 BGEDMO C[C@@H]1CCC[C@@H](C[N@@H+](C)CC(C)(C)C#N)C1 ZINC000552085027 388668290 /nfs/dbraw/zinc/66/82/90/388668290.db2.gz LSPXBJMZSQNFKT-CHWSQXEVSA-N 1 1 222.376 3.294 20 30 BGEDMO C[C@@H]1CCC[C@H](C[N@@H+](C)CC(C)(C)C#N)C1 ZINC000552085028 388668921 /nfs/dbraw/zinc/66/89/21/388668921.db2.gz LSPXBJMZSQNFKT-OLZOCXBDSA-N 1 1 222.376 3.294 20 30 BGEDMO C[C@H]1CCC[C@@H](C[N@@H+](C)CC(C)(C)C#N)C1 ZINC000552085029 388668603 /nfs/dbraw/zinc/66/86/03/388668603.db2.gz LSPXBJMZSQNFKT-QWHCGFSZSA-N 1 1 222.376 3.294 20 30 BGEDMO C[C@H]1CCC[C@H](C[N@@H+](C)CC(C)(C)C#N)C1 ZINC000552085030 388668622 /nfs/dbraw/zinc/66/86/22/388668622.db2.gz LSPXBJMZSQNFKT-STQMWFEESA-N 1 1 222.376 3.294 20 30 BGEDMO C[N@@H+](C/C=C\c1ccc(F)cc1)CC(C)(C)C#N ZINC000552085545 388668054 /nfs/dbraw/zinc/66/80/54/388668054.db2.gz BMQLYYNDHIEJAJ-PLNGDYQASA-N 1 1 246.329 3.320 20 30 BGEDMO C[N@H+](C/C=C\c1ccc(F)cc1)CC(C)(C)C#N ZINC000552085545 388668052 /nfs/dbraw/zinc/66/80/52/388668052.db2.gz BMQLYYNDHIEJAJ-PLNGDYQASA-N 1 1 246.329 3.320 20 30 BGEDMO C[N@@H+](C/C=C/c1ccc(F)cc1)CC(C)(C)C#N ZINC000552085546 388668891 /nfs/dbraw/zinc/66/88/91/388668891.db2.gz BMQLYYNDHIEJAJ-SNAWJCMRSA-N 1 1 246.329 3.320 20 30 BGEDMO C[N@H+](C/C=C/c1ccc(F)cc1)CC(C)(C)C#N ZINC000552085546 388668890 /nfs/dbraw/zinc/66/88/90/388668890.db2.gz BMQLYYNDHIEJAJ-SNAWJCMRSA-N 1 1 246.329 3.320 20 30 BGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000552171679 388676814 /nfs/dbraw/zinc/67/68/14/388676814.db2.gz FMZKWKBTWVWAFM-GFCCVEGCSA-N 1 1 228.339 3.203 20 30 BGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000552171680 388676659 /nfs/dbraw/zinc/67/66/59/388676659.db2.gz FMZKWKBTWVWAFM-LBPRGKRZSA-N 1 1 228.339 3.203 20 30 BGEDMO CC(C)[C@@H]1[N@@H+](Cc2cccc(C#N)c2)CC1(C)C ZINC000552293132 398267242 /nfs/dbraw/zinc/26/72/42/398267242.db2.gz RJHJICFWTKPHHZ-HNNXBMFYSA-N 1 1 242.366 3.425 20 30 BGEDMO CC(C)[C@H]1[N@@H+](Cc2cccc(C#N)c2)CC1(C)C ZINC000552293133 398267214 /nfs/dbraw/zinc/26/72/14/398267214.db2.gz RJHJICFWTKPHHZ-OAHLLOKOSA-N 1 1 242.366 3.425 20 30 BGEDMO CC(C)[C@H]1[N@@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC000552293367 398267298 /nfs/dbraw/zinc/26/72/98/398267298.db2.gz ZYSUUOQMASXSBC-CYBMUJFWSA-N 1 1 248.395 3.486 20 30 BGEDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC000552293368 398267268 /nfs/dbraw/zinc/26/72/68/398267268.db2.gz ZYSUUOQMASXSBC-ZDUSSCGKSA-N 1 1 248.395 3.486 20 30 BGEDMO C=C(CC)C[N@H+](CC)Cc1ccc(OC)cc1 ZINC000552604563 388731850 /nfs/dbraw/zinc/73/18/50/388731850.db2.gz NMZLIRMZKHCPPS-UHFFFAOYSA-N 1 1 233.355 3.483 20 30 BGEDMO C=C(CC)C[N@H+]1CCc2ccc(OC)cc2CC1 ZINC000552655605 388734111 /nfs/dbraw/zinc/73/41/11/388734111.db2.gz ZJLLECOJVJWDSH-UHFFFAOYSA-N 1 1 245.366 3.062 20 30 BGEDMO C=C(C)C[N@H+]1CCc2ccccc2C1(C)C ZINC000552678542 388735037 /nfs/dbraw/zinc/73/50/37/388735037.db2.gz QREMUNIJUYZOLC-UHFFFAOYSA-N 1 1 215.340 3.356 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000552950114 388741303 /nfs/dbraw/zinc/74/13/03/388741303.db2.gz DDRTZQXIPVGDTF-HNNXBMFYSA-N 1 1 230.355 3.493 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000552950115 388741113 /nfs/dbraw/zinc/74/11/13/388741113.db2.gz DDRTZQXIPVGDTF-OAHLLOKOSA-N 1 1 230.355 3.493 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000552971542 388742729 /nfs/dbraw/zinc/74/27/29/388742729.db2.gz CGADGPHTHOMZJC-JTQLQIEISA-N 1 1 221.266 3.227 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000552971543 388742518 /nfs/dbraw/zinc/74/25/18/388742518.db2.gz CGADGPHTHOMZJC-SNVBAGLBSA-N 1 1 221.266 3.227 20 30 BGEDMO C=C(CC)C[N@@H+](C)Cc1ccccc1C ZINC000552971974 388742158 /nfs/dbraw/zinc/74/21/58/388742158.db2.gz ZVDPBPLMJRPWNO-UHFFFAOYSA-N 1 1 203.329 3.393 20 30 BGEDMO C=CCCCCC[N@H+]([C@@H](C)CO)C1CCCC1 ZINC000553910845 388793323 /nfs/dbraw/zinc/79/33/23/388793323.db2.gz VNTQQZHOMWIFSG-AWEZNQCLSA-N 1 1 239.403 3.358 20 30 BGEDMO C=CCCCCC[N@H+]([C@H](C)CO)C1CCCC1 ZINC000553910847 388792294 /nfs/dbraw/zinc/79/22/94/388792294.db2.gz VNTQQZHOMWIFSG-CQSZACIVSA-N 1 1 239.403 3.358 20 30 BGEDMO C=CCCCCC[N@H+](C)C1CC(OCC)C1 ZINC000554289213 388807659 /nfs/dbraw/zinc/80/76/59/388807659.db2.gz SKARCULASGHIFG-UHFFFAOYSA-N 1 1 225.376 3.232 20 30 BGEDMO C=C(C)C[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000554305110 388809168 /nfs/dbraw/zinc/80/91/68/388809168.db2.gz HJSLGNYWFSYNSE-UHFFFAOYSA-N 1 1 240.350 3.423 20 30 BGEDMO C=C(C)C[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000554305110 388809165 /nfs/dbraw/zinc/80/91/65/388809165.db2.gz HJSLGNYWFSYNSE-UHFFFAOYSA-N 1 1 240.350 3.423 20 30 BGEDMO CC#CCC[N@H+](C)[C@@H](CC)c1ccccc1OC ZINC000554310784 388809243 /nfs/dbraw/zinc/80/92/43/388809243.db2.gz IVKMJBMFFVHOII-HNNXBMFYSA-N 1 1 245.366 3.492 20 30 BGEDMO CC#CCC[N@H+](C)[C@H](CC)c1ccccc1OC ZINC000554310786 388808672 /nfs/dbraw/zinc/80/86/72/388808672.db2.gz IVKMJBMFFVHOII-OAHLLOKOSA-N 1 1 245.366 3.492 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(Cl)cn1 ZINC000554497852 388817302 /nfs/dbraw/zinc/81/73/02/388817302.db2.gz KDGKCOJBFHMAHR-UHFFFAOYSA-N 1 1 224.735 3.133 20 30 BGEDMO C=CCOCCC[N@H+](C)[C@H](C)C1CCCCC1 ZINC000554836996 388833181 /nfs/dbraw/zinc/83/31/81/388833181.db2.gz HEXCXHIWUFOENF-CQSZACIVSA-N 1 1 239.403 3.480 20 30 BGEDMO C=CCOCCC[N@H+](C)[C@H](C)CCCC ZINC000554958511 388836139 /nfs/dbraw/zinc/83/61/39/388836139.db2.gz LQSHQWJEMHEHDV-CYBMUJFWSA-N 1 1 213.365 3.090 20 30 BGEDMO C=CCOCCC[N@H+](C)[C@@H](C)CCCC ZINC000554958512 388835648 /nfs/dbraw/zinc/83/56/48/388835648.db2.gz LQSHQWJEMHEHDV-ZDUSSCGKSA-N 1 1 213.365 3.090 20 30 BGEDMO C=CCOCC[N@@H+](Cc1ccccc1)[C@@H](C)CC ZINC000555295692 388845140 /nfs/dbraw/zinc/84/51/40/388845140.db2.gz ASESMWDKBGQCRV-HNNXBMFYSA-N 1 1 247.382 3.490 20 30 BGEDMO C=CCOCC[N@@H+](Cc1ccccc1)[C@H](C)CC ZINC000555295693 388845061 /nfs/dbraw/zinc/84/50/61/388845061.db2.gz ASESMWDKBGQCRV-OAHLLOKOSA-N 1 1 247.382 3.490 20 30 BGEDMO C=CCOCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000555333619 388846522 /nfs/dbraw/zinc/84/65/22/388846522.db2.gz DMHFUEFOLUIXSG-HNNXBMFYSA-N 1 1 247.382 3.499 20 30 BGEDMO C=CCOCC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000555333623 388845807 /nfs/dbraw/zinc/84/58/07/388845807.db2.gz DMHFUEFOLUIXSG-OAHLLOKOSA-N 1 1 247.382 3.499 20 30 BGEDMO C=CCOCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000555338048 388846595 /nfs/dbraw/zinc/84/65/95/388846595.db2.gz VXRMTOLVTJMFEY-UHFFFAOYSA-N 1 1 237.387 3.234 20 30 BGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1CCCCC ZINC000555380170 388848821 /nfs/dbraw/zinc/84/88/21/388848821.db2.gz DURUXVVMBKYXIE-AWEZNQCLSA-N 1 1 225.376 3.234 20 30 BGEDMO C=CCOCC[N@@H+]1CCC[C@H]1CCCCC ZINC000555380171 388849082 /nfs/dbraw/zinc/84/90/82/388849082.db2.gz DURUXVVMBKYXIE-CQSZACIVSA-N 1 1 225.376 3.234 20 30 BGEDMO CC(C)C[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000555380601 388848598 /nfs/dbraw/zinc/84/85/98/388848598.db2.gz YWTQOCBTBRJWIH-ILXRZTDVSA-N 1 1 234.387 3.437 20 30 BGEDMO CC(C)C[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000555380602 388848473 /nfs/dbraw/zinc/84/84/73/388848473.db2.gz YWTQOCBTBRJWIH-KKUMJFAQSA-N 1 1 234.387 3.437 20 30 BGEDMO CC(C)C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000555380603 388848149 /nfs/dbraw/zinc/84/81/49/388848149.db2.gz YWTQOCBTBRJWIH-QLFBSQMISA-N 1 1 234.387 3.437 20 30 BGEDMO CC(C)C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000555380604 388849307 /nfs/dbraw/zinc/84/93/07/388849307.db2.gz YWTQOCBTBRJWIH-SOUVJXGZSA-N 1 1 234.387 3.437 20 30 BGEDMO C=CCOCC[N@@H+]1CCCC[C@H]1CC(C)C ZINC000555417084 388848957 /nfs/dbraw/zinc/84/89/57/388848957.db2.gz SSOYWJWYNBMURG-AWEZNQCLSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCOCC[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000555417085 388849369 /nfs/dbraw/zinc/84/93/69/388849369.db2.gz SSOYWJWYNBMURG-CQSZACIVSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CC[N@H+](CCOC)[C@H]1C=CCCCCC1 ZINC000555461105 388850104 /nfs/dbraw/zinc/85/01/04/388850104.db2.gz NSPMCWBZJBGSPO-AWEZNQCLSA-N 1 1 223.360 3.010 20 30 BGEDMO C=CC[N@H+](CCOC)[C@@H]1C=CCCCCC1 ZINC000555461106 388850723 /nfs/dbraw/zinc/85/07/23/388850723.db2.gz NSPMCWBZJBGSPO-CQSZACIVSA-N 1 1 223.360 3.010 20 30 BGEDMO C=CCOCC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000555462773 388850471 /nfs/dbraw/zinc/85/04/71/388850471.db2.gz OBOGIHPFXXFINQ-ZDUSSCGKSA-N 1 1 225.376 3.090 20 30 BGEDMO C[N@@H+](CC(C)(C)C#N)[C@@H]1C=CCCCCC1 ZINC000555545920 388853627 /nfs/dbraw/zinc/85/36/27/388853627.db2.gz NWBPDQRQDNPVCV-CYBMUJFWSA-N 1 1 220.360 3.357 20 30 BGEDMO C[N@@H+](CC(C)(C)C#N)[C@H]1C=CCCCCC1 ZINC000555545924 388853691 /nfs/dbraw/zinc/85/36/91/388853691.db2.gz NWBPDQRQDNPVCV-ZDUSSCGKSA-N 1 1 220.360 3.357 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000555555004 388853104 /nfs/dbraw/zinc/85/31/04/388853104.db2.gz DORUQXCLKAFAFE-CYBMUJFWSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cn1 ZINC000555555004 388853099 /nfs/dbraw/zinc/85/30/99/388853099.db2.gz DORUQXCLKAFAFE-CYBMUJFWSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000555555005 388853799 /nfs/dbraw/zinc/85/37/99/388853799.db2.gz DORUQXCLKAFAFE-ZDUSSCGKSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cn1 ZINC000555555005 388853795 /nfs/dbraw/zinc/85/37/95/388853795.db2.gz DORUQXCLKAFAFE-ZDUSSCGKSA-N 1 1 236.746 3.276 20 30 BGEDMO CC1(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000555596384 388805231 /nfs/dbraw/zinc/80/52/31/388805231.db2.gz KIDYGVDPIXDVMX-UHFFFAOYSA-N 1 1 240.350 3.323 20 30 BGEDMO C=CCOCCC[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000555716588 364695658 /nfs/dbraw/zinc/69/56/58/364695658.db2.gz VEJONNSJOIDLKJ-KBPBESRZSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CCOCCC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000555716589 364695749 /nfs/dbraw/zinc/69/57/49/364695749.db2.gz VEJONNSJOIDLKJ-KGLIPLIRSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CCOCCC[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000555716590 364695317 /nfs/dbraw/zinc/69/53/17/364695317.db2.gz VEJONNSJOIDLKJ-UONOGXRCSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CCOCCC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000555716591 388860019 /nfs/dbraw/zinc/86/00/19/388860019.db2.gz VEJONNSJOIDLKJ-ZIAGYGMSSA-N 1 1 237.387 3.090 20 30 BGEDMO C=C(C)CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000555721327 364695631 /nfs/dbraw/zinc/69/56/31/364695631.db2.gz KNWKOQOVCYLXSI-CHWSQXEVSA-N 1 1 207.361 3.463 20 30 BGEDMO C=C(C)CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000555721328 364695252 /nfs/dbraw/zinc/69/52/52/364695252.db2.gz KNWKOQOVCYLXSI-OLZOCXBDSA-N 1 1 207.361 3.463 20 30 BGEDMO C=C(C)CC[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000555721329 364696039 /nfs/dbraw/zinc/69/60/39/364696039.db2.gz KNWKOQOVCYLXSI-QWHCGFSZSA-N 1 1 207.361 3.463 20 30 BGEDMO C=C(C)CC[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000555721330 364695401 /nfs/dbraw/zinc/69/54/01/364695401.db2.gz KNWKOQOVCYLXSI-STQMWFEESA-N 1 1 207.361 3.463 20 30 BGEDMO CC#CC[N@@H+](C)C/C=C/c1ccc(Cl)cc1 ZINC000555750647 388860379 /nfs/dbraw/zinc/86/03/79/388860379.db2.gz ARBZSPJCZDMICK-AATRIKPKSA-N 1 1 233.742 3.308 20 30 BGEDMO CC#CC[N@@H+](C)C/C=C\c1ccc(Cl)cc1 ZINC000555750651 388859545 /nfs/dbraw/zinc/85/95/45/388859545.db2.gz ARBZSPJCZDMICK-WAYWQWQTSA-N 1 1 233.742 3.308 20 30 BGEDMO CC#CC[N@H+](C)[C@@H](CC)c1ccc(F)cc1F ZINC000555751302 388860408 /nfs/dbraw/zinc/86/04/08/388860408.db2.gz AOOMCGNUXOYHGU-AWEZNQCLSA-N 1 1 237.293 3.371 20 30 BGEDMO CC#CC[N@@H+](C)[C@@H](CC)c1ccc(F)cc1F ZINC000555751302 388860406 /nfs/dbraw/zinc/86/04/06/388860406.db2.gz AOOMCGNUXOYHGU-AWEZNQCLSA-N 1 1 237.293 3.371 20 30 BGEDMO CC#CC[N@H+](C)[C@H](CC)c1ccc(F)cc1F ZINC000555751303 388859715 /nfs/dbraw/zinc/85/97/15/388859715.db2.gz AOOMCGNUXOYHGU-CQSZACIVSA-N 1 1 237.293 3.371 20 30 BGEDMO CC#CC[N@@H+](C)[C@H](CC)c1ccc(F)cc1F ZINC000555751303 388859710 /nfs/dbraw/zinc/85/97/10/388859710.db2.gz AOOMCGNUXOYHGU-CQSZACIVSA-N 1 1 237.293 3.371 20 30 BGEDMO CC#CC[N@@H+](C)CCCSCc1ccccc1 ZINC000555759064 388859777 /nfs/dbraw/zinc/85/97/77/388859777.db2.gz FEVHFEBZXKIRDE-UHFFFAOYSA-N 1 1 247.407 3.265 20 30 BGEDMO CC#CC[N@@H+](C)CCc1ccc2ccccc2c1 ZINC000555759483 388860431 /nfs/dbraw/zinc/86/04/31/388860431.db2.gz KWSHOXVRNKEKFK-UHFFFAOYSA-N 1 1 237.346 3.337 20 30 BGEDMO C=CCCCCC[N@H+](C)C(C)(C)C(=O)OCC ZINC000555774557 388861893 /nfs/dbraw/zinc/86/18/93/388861893.db2.gz BNOZFJPSOGNVTE-UHFFFAOYSA-N 1 1 241.375 3.006 20 30 BGEDMO CCC(CC)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000556042807 388864710 /nfs/dbraw/zinc/86/47/10/388864710.db2.gz OVBGFDKSBKNAOW-CYBMUJFWSA-N 1 1 222.376 3.437 20 30 BGEDMO CCC(CC)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000556042807 388864708 /nfs/dbraw/zinc/86/47/08/388864708.db2.gz OVBGFDKSBKNAOW-CYBMUJFWSA-N 1 1 222.376 3.437 20 30 BGEDMO CCC(CC)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000556042808 388865393 /nfs/dbraw/zinc/86/53/93/388865393.db2.gz OVBGFDKSBKNAOW-ZDUSSCGKSA-N 1 1 222.376 3.437 20 30 BGEDMO CCC(CC)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000556042808 388865391 /nfs/dbraw/zinc/86/53/91/388865391.db2.gz OVBGFDKSBKNAOW-ZDUSSCGKSA-N 1 1 222.376 3.437 20 30 BGEDMO C=C(C)C[N@@H+](CC)C[C@@H]1CCCCN1C(C)C ZINC000556104508 388866279 /nfs/dbraw/zinc/86/62/79/388866279.db2.gz XSUGGNLYWGCYOJ-HNNXBMFYSA-N 1 1 238.419 3.147 20 30 BGEDMO C=C(C)C[N@H+](CC)C[C@@H]1CCCCN1C(C)C ZINC000556104508 388866277 /nfs/dbraw/zinc/86/62/77/388866277.db2.gz XSUGGNLYWGCYOJ-HNNXBMFYSA-N 1 1 238.419 3.147 20 30 BGEDMO C=C(C)CN(CC)C[C@@H]1CCCC[N@H+]1C(C)C ZINC000556104508 388866272 /nfs/dbraw/zinc/86/62/72/388866272.db2.gz XSUGGNLYWGCYOJ-HNNXBMFYSA-N 1 1 238.419 3.147 20 30 BGEDMO C=C(C)C[N@@H+](CC)C[C@H]1CCCCN1C(C)C ZINC000556104510 388866951 /nfs/dbraw/zinc/86/69/51/388866951.db2.gz XSUGGNLYWGCYOJ-OAHLLOKOSA-N 1 1 238.419 3.147 20 30 BGEDMO C=C(C)C[N@H+](CC)C[C@H]1CCCCN1C(C)C ZINC000556104510 388866947 /nfs/dbraw/zinc/86/69/47/388866947.db2.gz XSUGGNLYWGCYOJ-OAHLLOKOSA-N 1 1 238.419 3.147 20 30 BGEDMO C=C(C)CN(CC)C[C@H]1CCCC[N@H+]1C(C)C ZINC000556104510 388866946 /nfs/dbraw/zinc/86/69/46/388866946.db2.gz XSUGGNLYWGCYOJ-OAHLLOKOSA-N 1 1 238.419 3.147 20 30 BGEDMO C=CCCCC[N@H+]1CCc2sccc2C1 ZINC000556192505 388870879 /nfs/dbraw/zinc/87/08/79/388870879.db2.gz HEBNGMWUOABUDD-UHFFFAOYSA-N 1 1 221.369 3.463 20 30 BGEDMO C=CCCCC[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000556192589 388871028 /nfs/dbraw/zinc/87/10/28/388871028.db2.gz MKDOKDITDBNFJW-CYBMUJFWSA-N 1 1 234.343 3.476 20 30 BGEDMO C=CCCCC[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000556192593 388870278 /nfs/dbraw/zinc/87/02/78/388870278.db2.gz MKDOKDITDBNFJW-ZDUSSCGKSA-N 1 1 234.343 3.476 20 30 BGEDMO C=CCCCC[N@H+](C)[C@H](C)CCSC ZINC000556211544 388870772 /nfs/dbraw/zinc/87/07/72/388870772.db2.gz BCFPUUMZZSEAOW-GFCCVEGCSA-N 1 1 215.406 3.416 20 30 BGEDMO C=CCCCC[N@H+](C)[C@@H](C)CCSC ZINC000556211548 388871043 /nfs/dbraw/zinc/87/10/43/388871043.db2.gz BCFPUUMZZSEAOW-LBPRGKRZSA-N 1 1 215.406 3.416 20 30 BGEDMO C=CCCCC[N@H+](CC)CCc1nccs1 ZINC000556218984 388871196 /nfs/dbraw/zinc/87/11/96/388871196.db2.gz YZTHKDWPNNYVGC-UHFFFAOYSA-N 1 1 238.400 3.364 20 30 BGEDMO C=CCCCC[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000556220179 325785432 /nfs/dbraw/zinc/78/54/32/325785432.db2.gz WBNYUFANOBCPFR-UHFFFAOYSA-N 1 1 249.358 3.093 20 30 BGEDMO C=CCCCC[N@H+](C)Cc1cn2c(n1)CCCC2 ZINC000556226699 384990949 /nfs/dbraw/zinc/99/09/49/384990949.db2.gz LDXCDULPULCXQR-UHFFFAOYSA-N 1 1 247.386 3.008 20 30 BGEDMO C=CCCCC[N@H+](CC)Cc1ccncc1 ZINC000556247832 388871767 /nfs/dbraw/zinc/87/17/67/388871767.db2.gz FKNXDYKKXLFWLM-UHFFFAOYSA-N 1 1 218.344 3.260 20 30 BGEDMO C=CCCCC[N@H+]1CCc2ccsc2C1 ZINC000556248230 388872223 /nfs/dbraw/zinc/87/22/23/388872223.db2.gz DTPKCYSZDOXIPB-UHFFFAOYSA-N 1 1 221.369 3.463 20 30 BGEDMO C=CCCCC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000556257596 388873710 /nfs/dbraw/zinc/87/37/10/388873710.db2.gz SBGBPXFKMGWADL-AWEZNQCLSA-N 1 1 233.359 3.293 20 30 BGEDMO C=CCCCC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000556257597 388873152 /nfs/dbraw/zinc/87/31/52/388873152.db2.gz SBGBPXFKMGWADL-CQSZACIVSA-N 1 1 233.359 3.293 20 30 BGEDMO C=CCCCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000556258607 388873251 /nfs/dbraw/zinc/87/32/51/388873251.db2.gz JKNWGVSZXGKARZ-SNVBAGLBSA-N 1 1 203.276 3.072 20 30 BGEDMO C=CCCCC[N@H+]1CCC[C@@H]1C(F)F ZINC000556258607 388873248 /nfs/dbraw/zinc/87/32/48/388873248.db2.gz JKNWGVSZXGKARZ-SNVBAGLBSA-N 1 1 203.276 3.072 20 30 BGEDMO C=C(C)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000556507864 384417961 /nfs/dbraw/zinc/41/79/61/384417961.db2.gz GMEVEJGZJMYHBU-UHFFFAOYSA-N 1 1 213.324 3.352 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000556812068 384499977 /nfs/dbraw/zinc/49/99/77/384499977.db2.gz YBJNGTCXWHTRCH-HNNXBMFYSA-N 1 1 230.355 3.493 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000556812071 384499090 /nfs/dbraw/zinc/49/90/90/384499090.db2.gz YBJNGTCXWHTRCH-OAHLLOKOSA-N 1 1 230.355 3.493 20 30 BGEDMO C=CCOc1cccc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1 ZINC000556894957 384618372 /nfs/dbraw/zinc/61/83/72/384618372.db2.gz BYNPEOYCAUSHSU-KBPBESRZSA-N 1 1 245.366 3.482 20 30 BGEDMO C=CCOc1cccc(C[N@H+]2C[C@H](C)C[C@@H]2C)c1 ZINC000556894958 384618755 /nfs/dbraw/zinc/61/87/55/384618755.db2.gz BYNPEOYCAUSHSU-KGLIPLIRSA-N 1 1 245.366 3.482 20 30 BGEDMO C=CCOc1cccc(C[N@H+]2C[C@@H](C)C[C@H]2C)c1 ZINC000556894959 384617870 /nfs/dbraw/zinc/61/78/70/384617870.db2.gz BYNPEOYCAUSHSU-UONOGXRCSA-N 1 1 245.366 3.482 20 30 BGEDMO C=CCOc1cccc(C[N@H+]2C[C@H](C)C[C@H]2C)c1 ZINC000556894960 384619322 /nfs/dbraw/zinc/61/93/22/384619322.db2.gz BYNPEOYCAUSHSU-ZIAGYGMSSA-N 1 1 245.366 3.482 20 30 BGEDMO CC(C)C(C[N@@H+](C)CC(C)(C)C#N)C(C)C ZINC000556909386 384642986 /nfs/dbraw/zinc/64/29/86/384642986.db2.gz BBXODAWCCFHGOD-UHFFFAOYSA-N 1 1 224.392 3.396 20 30 BGEDMO C[C@@H](Cc1ccccc1)C[N@@H+](C)CC(C)(C)C#N ZINC000556909631 384642894 /nfs/dbraw/zinc/64/28/94/384642894.db2.gz IVKKNTHHTJYAGW-AWEZNQCLSA-N 1 1 244.382 3.347 20 30 BGEDMO C[C@H](Cc1ccccc1)C[N@@H+](C)CC(C)(C)C#N ZINC000556909632 384642049 /nfs/dbraw/zinc/64/20/49/384642049.db2.gz IVKKNTHHTJYAGW-CQSZACIVSA-N 1 1 244.382 3.347 20 30 BGEDMO C[N@@H+](CC1CCCCCC1)CC(C)(C)C#N ZINC000556909641 384643339 /nfs/dbraw/zinc/64/33/39/384643339.db2.gz JJZSXHRKBYSFKH-UHFFFAOYSA-N 1 1 222.376 3.438 20 30 BGEDMO C[C@H](Cc1ccsc1)[N@@H+](C)CC(C)(C)C#N ZINC000556909811 384643322 /nfs/dbraw/zinc/64/33/22/384643322.db2.gz MVPOOZXHTBKHLH-LLVKDONJSA-N 1 1 236.384 3.161 20 30 BGEDMO C[C@@H](Cc1ccsc1)[N@@H+](C)CC(C)(C)C#N ZINC000556909812 384641526 /nfs/dbraw/zinc/64/15/26/384641526.db2.gz MVPOOZXHTBKHLH-NSHDSACASA-N 1 1 236.384 3.161 20 30 BGEDMO C[N@@H+](C/C=C/c1ccccc1)CC(C)(C)C#N ZINC000556910037 384643628 /nfs/dbraw/zinc/64/36/28/384643628.db2.gz SEYPTCYBVBRTIW-JXMROGBWSA-N 1 1 228.339 3.181 20 30 BGEDMO C[N@H+](C/C=C/c1ccccc1)CC(C)(C)C#N ZINC000556910037 384643623 /nfs/dbraw/zinc/64/36/23/384643623.db2.gz SEYPTCYBVBRTIW-JXMROGBWSA-N 1 1 228.339 3.181 20 30 BGEDMO C[N@@H+](C/C=C\c1ccccc1)CC(C)(C)C#N ZINC000556910038 384643588 /nfs/dbraw/zinc/64/35/88/384643588.db2.gz SEYPTCYBVBRTIW-YFHOEESVSA-N 1 1 228.339 3.181 20 30 BGEDMO C[N@H+](C/C=C\c1ccccc1)CC(C)(C)C#N ZINC000556910038 384643586 /nfs/dbraw/zinc/64/35/86/384643586.db2.gz SEYPTCYBVBRTIW-YFHOEESVSA-N 1 1 228.339 3.181 20 30 BGEDMO C=C(CC)C[N@@H+](C)CCOc1ccccc1C ZINC000557304386 384909165 /nfs/dbraw/zinc/90/91/65/384909165.db2.gz LZIIWRKOPPHUOJ-UHFFFAOYSA-N 1 1 233.355 3.272 20 30 BGEDMO C=C(C)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000557695089 385091840 /nfs/dbraw/zinc/09/18/40/385091840.db2.gz PUHWPGFQBLNWKK-AWEZNQCLSA-N 1 1 219.303 3.133 20 30 BGEDMO C=C(C)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000557695097 385093309 /nfs/dbraw/zinc/09/33/09/385093309.db2.gz PUHWPGFQBLNWKK-CQSZACIVSA-N 1 1 219.303 3.133 20 30 BGEDMO C=C(C)CC[N@@H+](CC)CCN1CCCCCC1 ZINC000558127308 385322019 /nfs/dbraw/zinc/32/20/19/385322019.db2.gz HCRHWUNPGRDJSF-UHFFFAOYSA-N 1 1 238.419 3.151 20 30 BGEDMO C=C(C)CC[N@H+](CC)CCN1CCCCCC1 ZINC000558127308 385322014 /nfs/dbraw/zinc/32/20/14/385322014.db2.gz HCRHWUNPGRDJSF-UHFFFAOYSA-N 1 1 238.419 3.151 20 30 BGEDMO C=C(C)C[N@H+](CCN1CCCCCC1)C(C)C ZINC000558137622 385333545 /nfs/dbraw/zinc/33/35/45/385333545.db2.gz CRQSAXUGHARXTG-UHFFFAOYSA-N 1 1 238.419 3.149 20 30 BGEDMO C=C(C)C[N@@H+](CCN1CCCCCC1)C(C)C ZINC000558137622 385333542 /nfs/dbraw/zinc/33/35/42/385333542.db2.gz CRQSAXUGHARXTG-UHFFFAOYSA-N 1 1 238.419 3.149 20 30 BGEDMO CC#CC[N@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000558183194 383827077 /nfs/dbraw/zinc/82/70/77/383827077.db2.gz WDUOXPCBZWLBKX-UHFFFAOYSA-N 1 1 245.366 3.319 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000558461872 384024870 /nfs/dbraw/zinc/02/48/70/384024870.db2.gz PPXHUJYWXBCBTE-LLVKDONJSA-N 1 1 237.347 3.117 20 30 BGEDMO C=CCCCCC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000558461872 384024863 /nfs/dbraw/zinc/02/48/63/384024863.db2.gz PPXHUJYWXBCBTE-LLVKDONJSA-N 1 1 237.347 3.117 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000558461877 384024109 /nfs/dbraw/zinc/02/41/09/384024109.db2.gz PPXHUJYWXBCBTE-NSHDSACASA-N 1 1 237.347 3.117 20 30 BGEDMO C=CCCCCC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000558461877 384024106 /nfs/dbraw/zinc/02/41/06/384024106.db2.gz PPXHUJYWXBCBTE-NSHDSACASA-N 1 1 237.347 3.117 20 30 BGEDMO C=CCCC[N@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000558724990 384262081 /nfs/dbraw/zinc/26/20/81/384262081.db2.gz KKLPCYRCRMSXJZ-AWEZNQCLSA-N 1 1 237.387 3.376 20 30 BGEDMO C=CCCC[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000558724993 384262869 /nfs/dbraw/zinc/26/28/69/384262869.db2.gz KKLPCYRCRMSXJZ-CQSZACIVSA-N 1 1 237.387 3.376 20 30 BGEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000558739034 384267359 /nfs/dbraw/zinc/26/73/59/384267359.db2.gz BEJSVCWVKIYCBF-BJWYYQGGSA-N 1 1 239.362 3.420 20 30 BGEDMO CCC(CC)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000558823110 384095913 /nfs/dbraw/zinc/09/59/13/384095913.db2.gz UAOMYOZWAXEQLL-UHFFFAOYSA-N 1 1 245.370 3.050 20 30 BGEDMO C=CCC[N@H+]1CCc2ccccc2C1(C)C ZINC000558854979 384335846 /nfs/dbraw/zinc/33/58/46/384335846.db2.gz RXJRHLMXVQNGHV-UHFFFAOYSA-N 1 1 215.340 3.356 20 30 BGEDMO CC#CCC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000558865449 384344919 /nfs/dbraw/zinc/34/49/19/384344919.db2.gz JFCNZJFVADUWML-HNNXBMFYSA-N 1 1 249.304 3.110 20 30 BGEDMO CC#CCC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000558865449 384344912 /nfs/dbraw/zinc/34/49/12/384344912.db2.gz JFCNZJFVADUWML-HNNXBMFYSA-N 1 1 249.304 3.110 20 30 BGEDMO CC#CCC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000558865455 384344872 /nfs/dbraw/zinc/34/48/72/384344872.db2.gz JFCNZJFVADUWML-OAHLLOKOSA-N 1 1 249.304 3.110 20 30 BGEDMO CC#CCC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000558865455 384344867 /nfs/dbraw/zinc/34/48/67/384344867.db2.gz JFCNZJFVADUWML-OAHLLOKOSA-N 1 1 249.304 3.110 20 30 BGEDMO C=CCOCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000559033830 384487209 /nfs/dbraw/zinc/48/72/09/384487209.db2.gz DNEZYUIRMHSZGX-INIZCTEOSA-N 1 1 245.366 3.198 20 30 BGEDMO C=CCOCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000559033833 384487749 /nfs/dbraw/zinc/48/77/49/384487749.db2.gz DNEZYUIRMHSZGX-MRXNPFEDSA-N 1 1 245.366 3.198 20 30 BGEDMO C=CCOCC[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000559094718 384533588 /nfs/dbraw/zinc/53/35/88/384533588.db2.gz LYQKIBMFZNWRKG-GDBMZVCRSA-N 1 1 245.366 3.067 20 30 BGEDMO C=CCOCC[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000559094719 384535721 /nfs/dbraw/zinc/53/57/21/384535721.db2.gz LYQKIBMFZNWRKG-GOEBONIOSA-N 1 1 245.366 3.067 20 30 BGEDMO C=CCOCC[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000559094720 384534869 /nfs/dbraw/zinc/53/48/69/384534869.db2.gz LYQKIBMFZNWRKG-HOCLYGCPSA-N 1 1 245.366 3.067 20 30 BGEDMO C=CCOCC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000559094721 384534263 /nfs/dbraw/zinc/53/42/63/384534263.db2.gz LYQKIBMFZNWRKG-ZBFHGGJFSA-N 1 1 245.366 3.067 20 30 BGEDMO C=CCOCC[N@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000559106464 384554179 /nfs/dbraw/zinc/55/41/79/384554179.db2.gz STSZDXSBVGCHRU-INIZCTEOSA-N 1 1 247.382 3.142 20 30 BGEDMO C=CCOCC[N@H+](C)[C@H](CC)Cc1ccccc1 ZINC000559106465 384552351 /nfs/dbraw/zinc/55/23/51/384552351.db2.gz STSZDXSBVGCHRU-MRXNPFEDSA-N 1 1 247.382 3.142 20 30 BGEDMO C=CCOCC[N@@H+]1CCC[C@H]1[C@@H](C)CCC ZINC000559107189 384555043 /nfs/dbraw/zinc/55/50/43/384555043.db2.gz DOWMOJVIMCHKEK-KBPBESRZSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCOCC[N@@H+]1CCC[C@H]1[C@H](C)CCC ZINC000559107190 384554909 /nfs/dbraw/zinc/55/49/09/384554909.db2.gz DOWMOJVIMCHKEK-KGLIPLIRSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1[C@@H](C)CCC ZINC000559107191 384553905 /nfs/dbraw/zinc/55/39/05/384553905.db2.gz DOWMOJVIMCHKEK-UONOGXRCSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1[C@H](C)CCC ZINC000559107192 384553179 /nfs/dbraw/zinc/55/31/79/384553179.db2.gz DOWMOJVIMCHKEK-ZIAGYGMSSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCOCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000559107292 344128079 /nfs/dbraw/zinc/12/80/79/344128079.db2.gz IOUVGZIWRYYKOD-GDBMZVCRSA-N 1 1 245.366 3.067 20 30 BGEDMO C=CCOCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000559107293 344128055 /nfs/dbraw/zinc/12/80/55/344128055.db2.gz IOUVGZIWRYYKOD-GOEBONIOSA-N 1 1 245.366 3.067 20 30 BGEDMO C=CCOCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000559107295 344128076 /nfs/dbraw/zinc/12/80/76/344128076.db2.gz IOUVGZIWRYYKOD-HOCLYGCPSA-N 1 1 245.366 3.067 20 30 BGEDMO C=CCOCC[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000559107296 344127905 /nfs/dbraw/zinc/12/79/05/344127905.db2.gz IOUVGZIWRYYKOD-ZBFHGGJFSA-N 1 1 245.366 3.067 20 30 BGEDMO C=CCOCC[N@H+](CC(C)C)CC(C)(C)C ZINC000559107403 384557925 /nfs/dbraw/zinc/55/79/25/384557925.db2.gz MXHPYSRNOUUPJE-UHFFFAOYSA-N 1 1 227.392 3.193 20 30 BGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)CC1(C)CC1 ZINC000559125669 384579164 /nfs/dbraw/zinc/57/91/64/384579164.db2.gz BNWNPPMIYBUVMG-UHFFFAOYSA-N 1 1 245.366 3.483 20 30 BGEDMO C=CCOCC[N@H+](C(C)C)C1CCCCC1 ZINC000559144174 384604912 /nfs/dbraw/zinc/60/49/12/384604912.db2.gz IAHNJKZFMWDXJB-UHFFFAOYSA-N 1 1 225.376 3.232 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000559185683 384624745 /nfs/dbraw/zinc/62/47/45/384624745.db2.gz GIYPDPVCHWLGPP-BFHYXJOUSA-N 1 1 220.360 3.047 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000559185684 384624414 /nfs/dbraw/zinc/62/44/14/384624414.db2.gz GIYPDPVCHWLGPP-MCIONIFRSA-N 1 1 220.360 3.047 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000559185685 384624983 /nfs/dbraw/zinc/62/49/83/384624983.db2.gz GIYPDPVCHWLGPP-MGPQQGTHSA-N 1 1 220.360 3.047 20 30 BGEDMO CC(C)[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000559185686 384625039 /nfs/dbraw/zinc/62/50/39/384625039.db2.gz GIYPDPVCHWLGPP-MJBXVCDLSA-N 1 1 220.360 3.047 20 30 BGEDMO CC(C)(C)[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000559185897 384624541 /nfs/dbraw/zinc/62/45/41/384624541.db2.gz IZTIMWMENSKCPC-BFHYXJOUSA-N 1 1 234.387 3.437 20 30 BGEDMO CC(C)(C)[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000559185900 384624485 /nfs/dbraw/zinc/62/44/85/384624485.db2.gz IZTIMWMENSKCPC-MCIONIFRSA-N 1 1 234.387 3.437 20 30 BGEDMO CC(C)(C)[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000559185902 384624553 /nfs/dbraw/zinc/62/45/53/384624553.db2.gz IZTIMWMENSKCPC-MGPQQGTHSA-N 1 1 234.387 3.437 20 30 BGEDMO CC(C)(C)[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000559185904 384624830 /nfs/dbraw/zinc/62/48/30/384624830.db2.gz IZTIMWMENSKCPC-MJBXVCDLSA-N 1 1 234.387 3.437 20 30 BGEDMO C=CCOCC[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000559187064 398268990 /nfs/dbraw/zinc/26/89/90/398268990.db2.gz YAUMNIPOFVKJCY-FYWRMAATSA-N 1 1 245.366 3.224 20 30 BGEDMO C=CCOCC[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000559187065 398269026 /nfs/dbraw/zinc/26/90/26/398269026.db2.gz YAUMNIPOFVKJCY-SQFISAMPSA-N 1 1 245.366 3.224 20 30 BGEDMO C=CCOCC[N@H+](C)[C@H](C)C1CCCCC1 ZINC000559234772 384819633 /nfs/dbraw/zinc/81/96/33/384819633.db2.gz OBOGIHPFXXFINQ-CYBMUJFWSA-N 1 1 225.376 3.090 20 30 BGEDMO CC(C)(C)c1ccc(C[NH2+]CC2(C#N)CC2)s1 ZINC000559334138 322963430 /nfs/dbraw/zinc/96/34/30/322963430.db2.gz JPWUIBOHSDLOGE-UHFFFAOYSA-N 1 1 248.395 3.439 20 30 BGEDMO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)[C@H]1C ZINC000559350212 383908323 /nfs/dbraw/zinc/90/83/23/383908323.db2.gz ITZUWSWTSAJCOY-NEPJUHHUSA-N 1 1 233.742 3.032 20 30 BGEDMO C[C@@H]1[C@@H](C)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000559350213 383908072 /nfs/dbraw/zinc/90/80/72/383908072.db2.gz ITZUWSWTSAJCOY-NWDGAFQWSA-N 1 1 233.742 3.032 20 30 BGEDMO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)[C@H]1C ZINC000559350214 383909443 /nfs/dbraw/zinc/90/94/43/383909443.db2.gz ITZUWSWTSAJCOY-RYUDHWBXSA-N 1 1 233.742 3.032 20 30 BGEDMO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC000559350215 383909128 /nfs/dbraw/zinc/90/91/28/383909128.db2.gz ITZUWSWTSAJCOY-VXGBXAGGSA-N 1 1 233.742 3.032 20 30 BGEDMO C=C(CC)C[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000559432616 384908493 /nfs/dbraw/zinc/90/84/93/384908493.db2.gz PNRLOYKEJRVRJS-CHWSQXEVSA-N 1 1 207.361 3.463 20 30 BGEDMO C=C(CC)C[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000559432622 384907761 /nfs/dbraw/zinc/90/77/61/384907761.db2.gz PNRLOYKEJRVRJS-OLZOCXBDSA-N 1 1 207.361 3.463 20 30 BGEDMO C=C(CC)C[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000559432624 384908711 /nfs/dbraw/zinc/90/87/11/384908711.db2.gz PNRLOYKEJRVRJS-QWHCGFSZSA-N 1 1 207.361 3.463 20 30 BGEDMO C=C(CC)C[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000559432625 384907781 /nfs/dbraw/zinc/90/77/81/384907781.db2.gz PNRLOYKEJRVRJS-STQMWFEESA-N 1 1 207.361 3.463 20 30 BGEDMO CC#CC[N@H+](C)Cc1ccc(C(C)C)nc1CC ZINC000559458250 384930551 /nfs/dbraw/zinc/93/05/51/384930551.db2.gz BJRSHJOOKULTGQ-UHFFFAOYSA-N 1 1 244.382 3.223 20 30 BGEDMO CC#CC[N@@H+](C)Cc1ccc(C(C)C)nc1CC ZINC000559458250 384930543 /nfs/dbraw/zinc/93/05/43/384930543.db2.gz BJRSHJOOKULTGQ-UHFFFAOYSA-N 1 1 244.382 3.223 20 30 BGEDMO CC#CC[N@H+](C)[C@@H](CC)c1ccc(F)cc1 ZINC000559458256 384930440 /nfs/dbraw/zinc/93/04/40/384930440.db2.gz CHVLULQTCMXGDX-AWEZNQCLSA-N 1 1 219.303 3.232 20 30 BGEDMO CC#CC[N@H+](C)[C@H](CC)c1ccc(F)cc1 ZINC000559458257 384930033 /nfs/dbraw/zinc/93/00/33/384930033.db2.gz CHVLULQTCMXGDX-CQSZACIVSA-N 1 1 219.303 3.232 20 30 BGEDMO CC#CC[N@@H+](C)CCCc1ccccc1Cl ZINC000559458861 490396376 /nfs/dbraw/zinc/39/63/76/490396376.db2.gz LNKMYVKQEXWUJJ-UHFFFAOYSA-N 1 1 235.758 3.228 20 30 BGEDMO CC#CC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC000559466119 384942628 /nfs/dbraw/zinc/94/26/28/384942628.db2.gz ZLBCLPQDEBPNNB-HNNXBMFYSA-N 1 1 231.314 3.158 20 30 BGEDMO CC#CC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000559466126 384941692 /nfs/dbraw/zinc/94/16/92/384941692.db2.gz ZLBCLPQDEBPNNB-OAHLLOKOSA-N 1 1 231.314 3.158 20 30 BGEDMO C=CCCCCC[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000559498584 384970062 /nfs/dbraw/zinc/97/00/62/384970062.db2.gz UOTOTMGJRHOLIZ-HNNXBMFYSA-N 1 1 239.403 3.480 20 30 BGEDMO C=CCCCCC[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000559498585 384970015 /nfs/dbraw/zinc/97/00/15/384970015.db2.gz UOTOTMGJRHOLIZ-OAHLLOKOSA-N 1 1 239.403 3.480 20 30 BGEDMO C=CCCC[N@@H+]1CCc2ccc(OC)cc2CC1 ZINC000560014530 398332041 /nfs/dbraw/zinc/33/20/41/398332041.db2.gz ZPRJDDQIOUWENG-UHFFFAOYSA-N 1 1 245.366 3.062 20 30 BGEDMO C=CCCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000560185116 383953102 /nfs/dbraw/zinc/95/31/02/383953102.db2.gz PHQAHTDVRFYZAM-CABCVRRESA-N 1 1 237.387 3.376 20 30 BGEDMO C=CCCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000560185118 383953197 /nfs/dbraw/zinc/95/31/97/383953197.db2.gz PHQAHTDVRFYZAM-GJZGRUSLSA-N 1 1 237.387 3.376 20 30 BGEDMO C=CCCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000560185119 383953253 /nfs/dbraw/zinc/95/32/53/383953253.db2.gz PHQAHTDVRFYZAM-HUUCEWRRSA-N 1 1 237.387 3.376 20 30 BGEDMO C=CCCCCC[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000560185120 383953918 /nfs/dbraw/zinc/95/39/18/383953918.db2.gz PHQAHTDVRFYZAM-LSDHHAIUSA-N 1 1 237.387 3.376 20 30 BGEDMO C=CCCCC[N@@H+]1CCC[C@H](COCC)C1 ZINC000560218300 383981322 /nfs/dbraw/zinc/98/13/22/383981322.db2.gz UJCGVRCIEUTEAJ-AWEZNQCLSA-N 1 1 225.376 3.091 20 30 BGEDMO C=CCCCC[N@@H+]1CCC[C@@H](COCC)C1 ZINC000560218301 383981459 /nfs/dbraw/zinc/98/14/59/383981459.db2.gz UJCGVRCIEUTEAJ-CQSZACIVSA-N 1 1 225.376 3.091 20 30 BGEDMO C=CCCCC[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000560220349 383981167 /nfs/dbraw/zinc/98/11/67/383981167.db2.gz BLAMLCKYPMUSHJ-AWEZNQCLSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCCC[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000560220351 383978935 /nfs/dbraw/zinc/97/89/35/383978935.db2.gz BLAMLCKYPMUSHJ-CQSZACIVSA-N 1 1 225.376 3.090 20 30 BGEDMO CC(C)C(C[N@@H+](C)[C@H](C)CC#N)C(C)C ZINC000560257080 344683244 /nfs/dbraw/zinc/68/32/44/344683244.db2.gz KQXASWQFDXIYFI-GFCCVEGCSA-N 1 1 210.365 3.149 20 30 BGEDMO CC(C)C(C[N@@H+](C)[C@@H](C)CC#N)C(C)C ZINC000560257081 344683102 /nfs/dbraw/zinc/68/31/02/344683102.db2.gz KQXASWQFDXIYFI-LBPRGKRZSA-N 1 1 210.365 3.149 20 30 BGEDMO C=C(C)CC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000560462923 384149991 /nfs/dbraw/zinc/14/99/91/384149991.db2.gz QXRRIVAWKKCPFJ-INIZCTEOSA-N 1 1 245.366 3.200 20 30 BGEDMO C=C(C)CC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000560462924 384150082 /nfs/dbraw/zinc/15/00/82/384150082.db2.gz QXRRIVAWKKCPFJ-MRXNPFEDSA-N 1 1 245.366 3.200 20 30 BGEDMO N#CC1(C[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000560509397 384179177 /nfs/dbraw/zinc/17/91/77/384179177.db2.gz GOWCKZAIIYIQPN-UHFFFAOYSA-N 1 1 240.350 3.347 20 30 BGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C#N)s1 ZINC000560512497 344751058 /nfs/dbraw/zinc/75/10/58/344751058.db2.gz UDMXSOXMEXNTAZ-PHIMTYICSA-N 1 1 234.368 3.383 20 30 BGEDMO CC(C)C[C@@H](C)C[N@@H+](C)CC(C)(C)C#N ZINC000560569001 384228158 /nfs/dbraw/zinc/22/81/58/384228158.db2.gz AZNTZCQJYIFDAA-GFCCVEGCSA-N 1 1 210.365 3.150 20 30 BGEDMO CC(C)C[C@H](C)C[N@@H+](C)CC(C)(C)C#N ZINC000560569006 384227138 /nfs/dbraw/zinc/22/71/38/384227138.db2.gz AZNTZCQJYIFDAA-LBPRGKRZSA-N 1 1 210.365 3.150 20 30 BGEDMO C[C@H](C[N@@H+](C)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000560569715 384228799 /nfs/dbraw/zinc/22/87/99/384228799.db2.gz QKKKOGWLFMGSET-GFCCVEGCSA-N 1 1 248.345 3.411 20 30 BGEDMO C[C@@H](C[N@@H+](C)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000560569716 384227433 /nfs/dbraw/zinc/22/74/33/384227433.db2.gz QKKKOGWLFMGSET-LBPRGKRZSA-N 1 1 248.345 3.411 20 30 BGEDMO Cc1cc(C)cc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000560569802 384229549 /nfs/dbraw/zinc/22/95/49/384229549.db2.gz RWPWBYPIBSEQHU-UHFFFAOYSA-N 1 1 230.355 3.285 20 30 BGEDMO Cc1cc(C)cc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000560569802 384229547 /nfs/dbraw/zinc/22/95/47/384229547.db2.gz RWPWBYPIBSEQHU-UHFFFAOYSA-N 1 1 230.355 3.285 20 30 BGEDMO CC1=C[C@H](C)C[C@@H](C[N@@H+](C)CC(C)(C)C#N)C1 ZINC000560569827 384231027 /nfs/dbraw/zinc/23/10/27/384231027.db2.gz TWZSPPWIOQNYSK-GXTWGEPZSA-N 1 1 234.387 3.460 20 30 BGEDMO CC1=C[C@H](C)C[C@H](C[N@@H+](C)CC(C)(C)C#N)C1 ZINC000560569830 384229702 /nfs/dbraw/zinc/22/97/02/384229702.db2.gz TWZSPPWIOQNYSK-JSGCOSHPSA-N 1 1 234.387 3.460 20 30 BGEDMO CC1=C[C@@H](C)C[C@H](C[N@@H+](C)CC(C)(C)C#N)C1 ZINC000560569832 384230763 /nfs/dbraw/zinc/23/07/63/384230763.db2.gz TWZSPPWIOQNYSK-OCCSQVGLSA-N 1 1 234.387 3.460 20 30 BGEDMO CC1=C[C@@H](C)C[C@@H](C[N@@H+](C)CC(C)(C)C#N)C1 ZINC000560569834 384229721 /nfs/dbraw/zinc/22/97/21/384229721.db2.gz TWZSPPWIOQNYSK-TZMCWYRMSA-N 1 1 234.387 3.460 20 30 BGEDMO C=C(CC)C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000560926415 384413639 /nfs/dbraw/zinc/41/36/39/384413639.db2.gz GXDAYAKDBNCRPU-CYBMUJFWSA-N 1 1 215.340 3.399 20 30 BGEDMO C=C(CC)C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000560926416 384413256 /nfs/dbraw/zinc/41/32/56/384413256.db2.gz GXDAYAKDBNCRPU-ZDUSSCGKSA-N 1 1 215.340 3.399 20 30 BGEDMO CC1(C)c2ccccc2CC[N@@H+]1CCCCC#N ZINC000560971668 384432011 /nfs/dbraw/zinc/43/20/11/384432011.db2.gz OQNBUFFOMJJQFF-UHFFFAOYSA-N 1 1 242.366 3.474 20 30 BGEDMO C=CC[N@H+](CCOC)Cc1c(C)cc(C)cc1C ZINC000561633798 345166721 /nfs/dbraw/zinc/16/67/21/345166721.db2.gz BBKGVVDLJQQNBL-UHFFFAOYSA-N 1 1 247.382 3.246 20 30 BGEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CCC(C)(C)C#N)C1 ZINC000561673935 345196665 /nfs/dbraw/zinc/19/66/65/345196665.db2.gz KHHGATILRGMILQ-CHWSQXEVSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H]1CCC[C@H](C)[N@@H+](CCC(C)(C)C#N)C1 ZINC000561673948 345196748 /nfs/dbraw/zinc/19/67/48/345196748.db2.gz KHHGATILRGMILQ-OLZOCXBDSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CCC(C)(C)C#N ZINC000561673950 345196107 /nfs/dbraw/zinc/19/61/07/345196107.db2.gz KHHGATILRGMILQ-QWHCGFSZSA-N 1 1 222.376 3.437 20 30 BGEDMO C[C@H]1CCC[C@H](C)[N@@H+](CCC(C)(C)C#N)C1 ZINC000561673951 345196496 /nfs/dbraw/zinc/19/64/96/345196496.db2.gz KHHGATILRGMILQ-STQMWFEESA-N 1 1 222.376 3.437 20 30 BGEDMO C=CCCCN(CC)CC[NH+]1CCCCCC1 ZINC000561908172 323008569 /nfs/dbraw/zinc/00/85/69/323008569.db2.gz XNGOAICXVIDIJO-UHFFFAOYSA-N 1 1 238.419 3.151 20 30 BGEDMO C=CCCC[N@H+](CC)CCN1CCCCCC1 ZINC000561908172 323008568 /nfs/dbraw/zinc/00/85/68/323008568.db2.gz XNGOAICXVIDIJO-UHFFFAOYSA-N 1 1 238.419 3.151 20 30 BGEDMO C=C(C)C[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000561910391 323008597 /nfs/dbraw/zinc/00/85/97/323008597.db2.gz VQTWEIXBCDZXNI-CABCVRRESA-N 1 1 247.382 3.049 20 30 BGEDMO C=C(C)C[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000561910392 323008580 /nfs/dbraw/zinc/00/85/80/323008580.db2.gz VQTWEIXBCDZXNI-GJZGRUSLSA-N 1 1 247.382 3.049 20 30 BGEDMO C=CCC[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000561925305 323008652 /nfs/dbraw/zinc/00/86/52/323008652.db2.gz TVDFKSIDZFMXST-CABCVRRESA-N 1 1 247.382 3.049 20 30 BGEDMO C=CCC[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000561925309 323008658 /nfs/dbraw/zinc/00/86/58/323008658.db2.gz TVDFKSIDZFMXST-GJZGRUSLSA-N 1 1 247.382 3.049 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000561949932 323009243 /nfs/dbraw/zinc/00/92/43/323009243.db2.gz OUFKUOWPYAVQDT-UHFFFAOYSA-N 1 1 233.355 3.407 20 30 BGEDMO C=CC[N@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000561953857 323009064 /nfs/dbraw/zinc/00/90/64/323009064.db2.gz ALHMYXQHCMCQDC-PLNGDYQASA-N 1 1 223.266 3.096 20 30 BGEDMO C=CC[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000561953858 323009102 /nfs/dbraw/zinc/00/91/02/323009102.db2.gz ALHMYXQHCMCQDC-SNAWJCMRSA-N 1 1 223.266 3.096 20 30 BGEDMO CC#CC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561963525 323009476 /nfs/dbraw/zinc/00/94/76/323009476.db2.gz LYDXYZBPFMZIKQ-GFCCVEGCSA-N 1 1 219.353 3.154 20 30 BGEDMO CC#CC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561963525 323009475 /nfs/dbraw/zinc/00/94/75/323009475.db2.gz LYDXYZBPFMZIKQ-GFCCVEGCSA-N 1 1 219.353 3.154 20 30 BGEDMO CC#CC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000561963531 323009420 /nfs/dbraw/zinc/00/94/20/323009420.db2.gz LYDXYZBPFMZIKQ-LBPRGKRZSA-N 1 1 219.353 3.154 20 30 BGEDMO 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/nfs/dbraw/zinc/76/57/79/346765779.db2.gz UXVMFGWSMIJKGN-HNNXBMFYSA-N 1 1 242.366 3.472 20 30 BGEDMO CC[C@@H]1CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590026260 346765906 /nfs/dbraw/zinc/76/59/06/346765906.db2.gz UXVMFGWSMIJKGN-OAHLLOKOSA-N 1 1 242.366 3.472 20 30 BGEDMO C=CC[N@H+](CCC#N)C[C@@H](C)C(C)(C)C ZINC000590050674 346768511 /nfs/dbraw/zinc/76/85/11/346768511.db2.gz BFNFBPGSDZWYQK-GFCCVEGCSA-N 1 1 208.349 3.070 20 30 BGEDMO C=CC[N@H+](CCC#N)C[C@H](C)C(C)(C)C ZINC000590050681 346768202 /nfs/dbraw/zinc/76/82/02/346768202.db2.gz BFNFBPGSDZWYQK-LBPRGKRZSA-N 1 1 208.349 3.070 20 30 BGEDMO Cc1sccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000590362570 347032814 /nfs/dbraw/zinc/03/28/14/347032814.db2.gz QPPATPJPRHTIJD-CYBMUJFWSA-N 1 1 234.368 3.182 20 30 BGEDMO Cc1sccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000590362570 347032811 /nfs/dbraw/zinc/03/28/11/347032811.db2.gz QPPATPJPRHTIJD-CYBMUJFWSA-N 1 1 234.368 3.182 20 30 BGEDMO Cc1sccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000590362574 347032569 /nfs/dbraw/zinc/03/25/69/347032569.db2.gz QPPATPJPRHTIJD-ZDUSSCGKSA-N 1 1 234.368 3.182 20 30 BGEDMO Cc1sccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000590362574 347032566 /nfs/dbraw/zinc/03/25/66/347032566.db2.gz QPPATPJPRHTIJD-ZDUSSCGKSA-N 1 1 234.368 3.182 20 30 BGEDMO C[N@@H+](CC(C)(C)C#N)CC(C)(C)c1ccccc1 ZINC000590371910 347037465 /nfs/dbraw/zinc/03/74/65/347037465.db2.gz DOOJUYYNDVJZGM-UHFFFAOYSA-N 1 1 244.382 3.446 20 30 BGEDMO C=CCCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000590684727 347490575 /nfs/dbraw/zinc/49/05/75/347490575.db2.gz GACPYGZDEWSKNM-UHFFFAOYSA-N 1 1 248.326 3.383 20 30 BGEDMO C[C@]1(C#N)CCC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000590715464 347500183 /nfs/dbraw/zinc/50/01/83/347500183.db2.gz GFVPEZMXTNSGGH-SHARSMKWSA-N 1 1 232.371 3.192 20 30 BGEDMO C[C@@]1(C#N)CCC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000590715465 347500294 /nfs/dbraw/zinc/50/02/94/347500294.db2.gz GFVPEZMXTNSGGH-SLTAFYQDSA-N 1 1 232.371 3.192 20 30 BGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000590715524 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ZINC000591014043 347606482 /nfs/dbraw/zinc/60/64/82/347606482.db2.gz YPUAJCIAIQQREP-LLVKDONJSA-N 1 1 234.368 3.189 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CCCc2sccc2C1 ZINC000591014044 347606223 /nfs/dbraw/zinc/60/62/23/347606223.db2.gz YPUAJCIAIQQREP-NSHDSACASA-N 1 1 234.368 3.189 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000591015752 347606900 /nfs/dbraw/zinc/60/69/00/347606900.db2.gz SPNWYPARFPTGDJ-BXUZGUMPSA-N 1 1 232.302 3.265 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000591015753 347606882 /nfs/dbraw/zinc/60/68/82/347606882.db2.gz SPNWYPARFPTGDJ-FZMZJTMJSA-N 1 1 232.302 3.265 20 30 BGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000591015754 347606986 /nfs/dbraw/zinc/60/69/86/347606986.db2.gz SPNWYPARFPTGDJ-RISCZKNCSA-N 1 1 232.302 3.265 20 30 BGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000591015755 347606933 /nfs/dbraw/zinc/60/69/33/347606933.db2.gz SPNWYPARFPTGDJ-SMDDNHRTSA-N 1 1 232.302 3.265 20 30 BGEDMO N#CC1(CC[N@@H+]2CC=CCC2)CCCCC1 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ZINC000591061696 347611799 /nfs/dbraw/zinc/61/17/99/347611799.db2.gz DJQOTYROUZNOEV-CQSZACIVSA-N 1 1 234.387 3.438 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC000591061847 347612682 /nfs/dbraw/zinc/61/26/82/347612682.db2.gz KNWUPGTWIDIJCL-INIZCTEOSA-N 1 1 240.350 3.180 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC000591061848 347612635 /nfs/dbraw/zinc/61/26/35/347612635.db2.gz KNWUPGTWIDIJCL-MRXNPFEDSA-N 1 1 240.350 3.180 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591063019 347612615 /nfs/dbraw/zinc/61/26/15/347612615.db2.gz GCNYCSCHWPIHRF-CYBMUJFWSA-N 1 1 220.360 3.048 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591063020 347612751 /nfs/dbraw/zinc/61/27/51/347612751.db2.gz GCNYCSCHWPIHRF-ZDUSSCGKSA-N 1 1 220.360 3.048 20 30 BGEDMO N#Cc1csc(C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000591267740 347635850 /nfs/dbraw/zinc/63/58/50/347635850.db2.gz JNSKHELBJNNSCA-CYBMUJFWSA-N 1 1 246.379 3.242 20 30 BGEDMO N#Cc1csc(C[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000591267741 347635966 /nfs/dbraw/zinc/63/59/66/347635966.db2.gz JNSKHELBJNNSCA-ZDUSSCGKSA-N 1 1 246.379 3.242 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)s1 ZINC000591267754 347635823 /nfs/dbraw/zinc/63/58/23/347635823.db2.gz KXBOOIFFOVCWBT-GFCCVEGCSA-N 1 1 246.379 3.242 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)s1 ZINC000591267755 347636091 /nfs/dbraw/zinc/63/60/91/347636091.db2.gz KXBOOIFFOVCWBT-LBPRGKRZSA-N 1 1 246.379 3.242 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591267789 347636183 /nfs/dbraw/zinc/63/61/83/347636183.db2.gz UXGHZAYQOHWIPE-AWEZNQCLSA-N 1 1 234.387 3.438 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591267790 347636217 /nfs/dbraw/zinc/63/62/17/347636217.db2.gz UXGHZAYQOHWIPE-CQSZACIVSA-N 1 1 234.387 3.438 20 30 BGEDMO C=C(C)C[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000591381876 347652603 /nfs/dbraw/zinc/65/26/03/347652603.db2.gz MMFVYCJMOMJJIR-UHFFFAOYSA-N 1 1 240.350 3.411 20 30 BGEDMO C=C(C)C[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000591381876 347652599 /nfs/dbraw/zinc/65/25/99/347652599.db2.gz MMFVYCJMOMJJIR-UHFFFAOYSA-N 1 1 240.350 3.411 20 30 BGEDMO C=C(C)C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591815980 347700671 /nfs/dbraw/zinc/70/06/71/347700671.db2.gz XSOGOUDIXHXMRM-HNNXBMFYSA-N 1 1 231.339 3.026 20 30 BGEDMO C=C(C)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591815984 347700432 /nfs/dbraw/zinc/70/04/32/347700432.db2.gz XSOGOUDIXHXMRM-OAHLLOKOSA-N 1 1 231.339 3.026 20 30 BGEDMO C[N@@H+](CC1=CCCC1)Cc1ccc(C#N)cc1 ZINC000592058267 347731836 /nfs/dbraw/zinc/73/18/36/347731836.db2.gz GLUXTBJYAJZESY-UHFFFAOYSA-N 1 1 226.323 3.100 20 30 BGEDMO C[N@@H+](Cc1ccncc1C#N)C1CCCCCC1 ZINC000592059657 347732204 /nfs/dbraw/zinc/73/22/04/347732204.db2.gz WOCGJRLFJFERAK-UHFFFAOYSA-N 1 1 243.354 3.108 20 30 BGEDMO CCCCC[N@@H+](Cc1ccncc1C#N)C(C)C ZINC000592059734 347732402 /nfs/dbraw/zinc/73/24/02/347732402.db2.gz VWIUWYDZDMHWTA-UHFFFAOYSA-N 1 1 245.370 3.354 20 30 BGEDMO CCC(CC)C[N@@H+](CC)Cc1ccncc1C#N ZINC000592059754 347732394 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ZINC000593115971 347861526 /nfs/dbraw/zinc/86/15/26/347861526.db2.gz HJTLCVNDPOIZDU-GFCCVEGCSA-N 1 1 241.375 3.005 20 30 BGEDMO C=C(C)CC[N@H+](C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000593115972 347861862 /nfs/dbraw/zinc/86/18/62/347861862.db2.gz HJTLCVNDPOIZDU-LBPRGKRZSA-N 1 1 241.375 3.005 20 30 BGEDMO C=C(CC)C[N@H+](C)[C@H](CC)C(=O)OC(C)(C)C ZINC000593115979 347861755 /nfs/dbraw/zinc/86/17/55/347861755.db2.gz HOSUAFIOCMQWRC-GFCCVEGCSA-N 1 1 241.375 3.005 20 30 BGEDMO C=C(CC)C[N@@H+](C)[C@H](CC)C(=O)OC(C)(C)C ZINC000593115979 347861754 /nfs/dbraw/zinc/86/17/54/347861754.db2.gz HOSUAFIOCMQWRC-GFCCVEGCSA-N 1 1 241.375 3.005 20 30 BGEDMO C=C(CC)C[N@H+](C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000593115981 347861953 /nfs/dbraw/zinc/86/19/53/347861953.db2.gz HOSUAFIOCMQWRC-LBPRGKRZSA-N 1 1 241.375 3.005 20 30 BGEDMO C=C(CC)C[N@@H+](C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000593115981 347861949 /nfs/dbraw/zinc/86/19/49/347861949.db2.gz HOSUAFIOCMQWRC-LBPRGKRZSA-N 1 1 241.375 3.005 20 30 BGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593117111 347862839 /nfs/dbraw/zinc/86/28/39/347862839.db2.gz OUNVSZOTFMDFHC-GFCCVEGCSA-N 1 1 242.313 3.047 20 30 BGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593117112 347862388 /nfs/dbraw/zinc/86/23/88/347862388.db2.gz OUNVSZOTFMDFHC-LBPRGKRZSA-N 1 1 242.313 3.047 20 30 BGEDMO C[C@@H]1C[N@@H+](CCCC#N)CCc2ccc(F)cc21 ZINC000593117564 347862974 /nfs/dbraw/zinc/86/29/74/347862974.db2.gz PIQZXLMKUREIPV-GFCCVEGCSA-N 1 1 246.329 3.091 20 30 BGEDMO C[C@H]1C[N@@H+](CCCC#N)CCc2ccc(F)cc21 ZINC000593117565 347862604 /nfs/dbraw/zinc/86/26/04/347862604.db2.gz PIQZXLMKUREIPV-LBPRGKRZSA-N 1 1 246.329 3.091 20 30 BGEDMO C=CCCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593122876 347863371 /nfs/dbraw/zinc/86/33/71/347863371.db2.gz ASKMNHNPDUNLGQ-UHFFFAOYSA-N 1 1 226.323 3.230 20 30 BGEDMO C=CCCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593122876 347863368 /nfs/dbraw/zinc/86/33/68/347863368.db2.gz ASKMNHNPDUNLGQ-UHFFFAOYSA-N 1 1 226.323 3.230 20 30 BGEDMO CC[N@H+](Cc1cccc2c1CCC2)C[C@H](C)C#N ZINC000593570502 347912728 /nfs/dbraw/zinc/91/27/28/347912728.db2.gz ZSJDTLVNLXCREZ-CYBMUJFWSA-N 1 1 242.366 3.157 20 30 BGEDMO CC[N@@H+](Cc1cccc2c1CCC2)C[C@H](C)C#N ZINC000593570502 347912726 /nfs/dbraw/zinc/91/27/26/347912726.db2.gz ZSJDTLVNLXCREZ-CYBMUJFWSA-N 1 1 242.366 3.157 20 30 BGEDMO CC[N@H+](Cc1cccc2c1CCC2)C[C@@H](C)C#N ZINC000593570504 347912443 /nfs/dbraw/zinc/91/24/43/347912443.db2.gz ZSJDTLVNLXCREZ-ZDUSSCGKSA-N 1 1 242.366 3.157 20 30 BGEDMO CC[N@@H+](Cc1cccc2c1CCC2)C[C@@H](C)C#N ZINC000593570504 347912441 /nfs/dbraw/zinc/91/24/41/347912441.db2.gz ZSJDTLVNLXCREZ-ZDUSSCGKSA-N 1 1 242.366 3.157 20 30 BGEDMO CC(C)[N@@H+](CCC#N)Cc1cccc2c1CCC2 ZINC000593571232 347912568 /nfs/dbraw/zinc/91/25/68/347912568.db2.gz QJWVVLLSYIPNMH-UHFFFAOYSA-N 1 1 242.366 3.299 20 30 BGEDMO CC(C)[N@H+](CCC#N)Cc1cccc2c1CCC2 ZINC000593571232 347912567 /nfs/dbraw/zinc/91/25/67/347912567.db2.gz QJWVVLLSYIPNMH-UHFFFAOYSA-N 1 1 242.366 3.299 20 30 BGEDMO C[N@@H+](Cc1cccc2c1CCC2)CC(C)(C)C#N ZINC000593628580 347917790 /nfs/dbraw/zinc/91/77/90/347917790.db2.gz CEYKRIXWZCPBKS-UHFFFAOYSA-N 1 1 242.366 3.157 20 30 BGEDMO C[N@H+](Cc1cccc2c1CCC2)CC(C)(C)C#N ZINC000593628580 347917789 /nfs/dbraw/zinc/91/77/89/347917789.db2.gz CEYKRIXWZCPBKS-UHFFFAOYSA-N 1 1 242.366 3.157 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1CCC12CCCC2 ZINC000593645326 347926299 /nfs/dbraw/zinc/92/62/99/347926299.db2.gz IFMXITXLUXRAAW-UHFFFAOYSA-N 1 1 220.360 3.335 20 30 BGEDMO N#Cc1csc(C[N@H+]2CCC23CCCC3)c1 ZINC000593647018 347926107 /nfs/dbraw/zinc/92/61/07/347926107.db2.gz VODRXBBHSFFHEG-UHFFFAOYSA-N 1 1 232.352 3.138 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CCC23CCCC3)s1 ZINC000593647214 347926425 /nfs/dbraw/zinc/92/64/25/347926425.db2.gz YBYGPMAKSGESSE-UHFFFAOYSA-N 1 1 232.352 3.138 20 30 BGEDMO Cc1cc(F)ccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593650522 347921594 /nfs/dbraw/zinc/92/15/94/347921594.db2.gz SWSLVOPVWTYAGP-UHFFFAOYSA-N 1 1 246.329 3.308 20 30 BGEDMO Cc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1F ZINC000593652520 347921544 /nfs/dbraw/zinc/92/15/44/347921544.db2.gz BDVSXEVTFPGPBV-UHFFFAOYSA-N 1 1 246.329 3.308 20 30 BGEDMO Cc1cc(C[NH2+]CC2(C#N)CCCC2)ccc1F ZINC000593652544 347921327 /nfs/dbraw/zinc/92/13/27/347921327.db2.gz BRNJPRXDRVPTIB-UHFFFAOYSA-N 1 1 246.329 3.308 20 30 BGEDMO Cc1ccc(F)c(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593652752 347921539 /nfs/dbraw/zinc/92/15/39/347921539.db2.gz JZFLOXIMMRJJCF-UHFFFAOYSA-N 1 1 246.329 3.308 20 30 BGEDMO Cc1ccc(F)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000593653573 347921495 /nfs/dbraw/zinc/92/14/95/347921495.db2.gz QNZFFOHWLFMDQG-UHFFFAOYSA-N 1 1 246.329 3.308 20 30 BGEDMO Cc1cccc(C[NH2+]CC2(C#N)CCCC2)c1F ZINC000593654572 347922067 /nfs/dbraw/zinc/92/20/67/347922067.db2.gz ILSNNNQPNVBWIT-UHFFFAOYSA-N 1 1 246.329 3.308 20 30 BGEDMO Cc1sccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593655011 347922686 /nfs/dbraw/zinc/92/26/86/347922686.db2.gz UZGCZZMZMRAGIY-UHFFFAOYSA-N 1 1 234.368 3.230 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593696437 347929899 /nfs/dbraw/zinc/92/98/99/347929899.db2.gz FLCKQXXICJAZAB-GFCCVEGCSA-N 1 1 242.313 3.047 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593696441 347929724 /nfs/dbraw/zinc/92/97/24/347929724.db2.gz FLCKQXXICJAZAB-LBPRGKRZSA-N 1 1 242.313 3.047 20 30 BGEDMO N#CCC1(CNc2cccc3cc[nH+]cc32)CC1 ZINC000593931315 347965520 /nfs/dbraw/zinc/96/55/20/347965520.db2.gz IJWWWSNPBPVIRC-UHFFFAOYSA-N 1 1 237.306 3.341 20 30 BGEDMO CCC(CC)C[N@@H+](CC)Cc1ccc(C#N)cn1 ZINC000593945617 347976885 /nfs/dbraw/zinc/97/68/85/347976885.db2.gz ULSCSCOKSXOKCU-UHFFFAOYSA-N 1 1 245.370 3.211 20 30 BGEDMO CC(C)(CC[N@@H+](CCC#N)CC1CC1)C1CC1 ZINC000593959825 347972250 /nfs/dbraw/zinc/97/22/50/347972250.db2.gz ISHZUOUDEPURMZ-UHFFFAOYSA-N 1 1 234.387 3.438 20 30 BGEDMO C[C@H](C#N)C[N@@H+](CCC(C)(C)C1CC1)C1CC1 ZINC000593967657 347974155 /nfs/dbraw/zinc/97/41/55/347974155.db2.gz CRPDSDIXNNWXEM-GFCCVEGCSA-N 1 1 234.387 3.437 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](CCC(C)(C)C1CC1)C1CC1 ZINC000593967658 347974311 /nfs/dbraw/zinc/97/43/11/347974311.db2.gz CRPDSDIXNNWXEM-LBPRGKRZSA-N 1 1 234.387 3.437 20 30 BGEDMO C=CC[N@H+](CCC#N)CCC(C)(C)C1CC1 ZINC000593990608 347980521 /nfs/dbraw/zinc/98/05/21/347980521.db2.gz NUPKHHGBSOCLMW-UHFFFAOYSA-N 1 1 220.360 3.214 20 30 BGEDMO C=CC[N@@H+](CCC#N)CCC(C)(C)C1CC1 ZINC000593990608 347980520 /nfs/dbraw/zinc/98/05/20/347980520.db2.gz NUPKHHGBSOCLMW-UHFFFAOYSA-N 1 1 220.360 3.214 20 30 BGEDMO C[N@@H+](CCC(C)(C)C1CC1)CC(C)(C)C#N ZINC000593993992 347981567 /nfs/dbraw/zinc/98/15/67/347981567.db2.gz TWFDZNWEIZEXPR-UHFFFAOYSA-N 1 1 222.376 3.294 20 30 BGEDMO CC[C@@H](CC#N)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000594008870 347984739 /nfs/dbraw/zinc/98/47/39/347984739.db2.gz GCMLRSBUBHXGGF-GXTWGEPZSA-N 1 1 232.302 3.095 20 30 BGEDMO CC[C@@H](CC#N)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000594008872 347985104 /nfs/dbraw/zinc/98/51/04/347985104.db2.gz GCMLRSBUBHXGGF-JSGCOSHPSA-N 1 1 232.302 3.095 20 30 BGEDMO CC[C@H](CC#N)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000594008873 347985194 /nfs/dbraw/zinc/98/51/94/347985194.db2.gz GCMLRSBUBHXGGF-OCCSQVGLSA-N 1 1 232.302 3.095 20 30 BGEDMO CC[C@H](CC#N)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000594008874 347984857 /nfs/dbraw/zinc/98/48/57/347984857.db2.gz GCMLRSBUBHXGGF-TZMCWYRMSA-N 1 1 232.302 3.095 20 30 BGEDMO CC[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1F ZINC000594019364 411144568 /nfs/dbraw/zinc/14/45/68/411144568.db2.gz HOTSKLYPMBWACC-CYBMUJFWSA-N 1 1 232.302 3.170 20 30 BGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1OC)C(C)C ZINC000594023850 347991299 /nfs/dbraw/zinc/99/12/99/347991299.db2.gz ZFHBPBBHNIPCQP-UHFFFAOYSA-N 1 1 246.354 3.187 20 30 BGEDMO CC(C)(C)CC[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028138 347991955 /nfs/dbraw/zinc/99/19/55/347991955.db2.gz IMYGIOAUDKNPKW-UHFFFAOYSA-N 1 1 228.339 3.310 20 30 BGEDMO CC1(C[N@H+]2Cc3ccc(C#N)cc3C2)CCC1 ZINC000594028656 347992333 /nfs/dbraw/zinc/99/23/33/347992333.db2.gz SEGHRHMZZNEFJF-UHFFFAOYSA-N 1 1 226.323 3.064 20 30 BGEDMO CC(C)CCC[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028693 347992237 /nfs/dbraw/zinc/99/22/37/347992237.db2.gz UXZVAECHTQFOAF-UHFFFAOYSA-N 1 1 228.339 3.310 20 30 BGEDMO N#Cc1ccc2c(c1)C[N@H+](CC1CCCCC1)C2 ZINC000594028707 347992265 /nfs/dbraw/zinc/99/22/65/347992265.db2.gz VQDPCMLLBDVRFP-UHFFFAOYSA-N 1 1 240.350 3.454 20 30 BGEDMO N#CC1(C[N@H+]2CCC[C@H]2CC2CCCC2)CC1 ZINC000594053117 348008943 /nfs/dbraw/zinc/00/89/43/348008943.db2.gz LVHNDPHPMMVUAR-AWEZNQCLSA-N 1 1 232.371 3.335 20 30 BGEDMO N#CC1(C[N@H+]2CCC[C@@H]2CC2CCCC2)CC1 ZINC000594053118 348009256 /nfs/dbraw/zinc/00/92/56/348009256.db2.gz LVHNDPHPMMVUAR-CQSZACIVSA-N 1 1 232.371 3.335 20 30 BGEDMO N#CCCC[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000594053396 348009122 /nfs/dbraw/zinc/00/91/22/348009122.db2.gz PBJBFLPEAUIBQE-AWEZNQCLSA-N 1 1 220.360 3.335 20 30 BGEDMO N#CCCC[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000594053398 348009143 /nfs/dbraw/zinc/00/91/43/348009143.db2.gz PBJBFLPEAUIBQE-CQSZACIVSA-N 1 1 220.360 3.335 20 30 BGEDMO CCC(CC)C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594610297 348082443 /nfs/dbraw/zinc/08/24/43/348082443.db2.gz ASHHGACIHSMXCH-UHFFFAOYSA-N 1 1 228.339 3.310 20 30 BGEDMO N#Cc1ccc2c(c1)C[N@H+](C[C@@H]1CC=CCC1)C2 ZINC000594612198 348082963 /nfs/dbraw/zinc/08/29/63/348082963.db2.gz MIZSOXLALODWJZ-CYBMUJFWSA-N 1 1 238.334 3.230 20 30 BGEDMO N#Cc1ccc2c(c1)C[N@H+](C[C@H]1CC=CCC1)C2 ZINC000594612207 348082992 /nfs/dbraw/zinc/08/29/92/348082992.db2.gz MIZSOXLALODWJZ-ZDUSSCGKSA-N 1 1 238.334 3.230 20 30 BGEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccncc1 ZINC000594717443 348106885 /nfs/dbraw/zinc/10/68/85/348106885.db2.gz LGIYZZZTCBTBOX-CYBMUJFWSA-N 1 1 243.354 3.206 20 30 BGEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccncc1 ZINC000594717444 348106943 /nfs/dbraw/zinc/10/69/43/348106943.db2.gz LGIYZZZTCBTBOX-ZDUSSCGKSA-N 1 1 243.354 3.206 20 30 BGEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cccnc1 ZINC000594718479 348106847 /nfs/dbraw/zinc/10/68/47/348106847.db2.gz VPEMOWVRFYZVSY-CYBMUJFWSA-N 1 1 243.354 3.206 20 30 BGEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cccnc1 ZINC000594718481 348106810 /nfs/dbraw/zinc/10/68/10/348106810.db2.gz VPEMOWVRFYZVSY-ZDUSSCGKSA-N 1 1 243.354 3.206 20 30 BGEDMO CC(C)c1[nH+]ccn1CCc1ccc(C#N)cc1 ZINC000594893641 348127008 /nfs/dbraw/zinc/12/70/08/348127008.db2.gz GSJFNJUSESHZAM-UHFFFAOYSA-N 1 1 239.322 3.121 20 30 BGEDMO Cc1ncsc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981187 348164144 /nfs/dbraw/zinc/16/41/44/348164144.db2.gz JTEXJMXUTLYMAO-UHFFFAOYSA-N 1 1 249.383 3.015 20 30 BGEDMO Cc1occc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594982115 348164806 /nfs/dbraw/zinc/16/48/06/348164806.db2.gz ZASJLXHHVISRFK-UHFFFAOYSA-N 1 1 232.327 3.152 20 30 BGEDMO N#CC1(C[NH2+]Cc2ccccc2F)CCCCC1 ZINC000594994176 348167708 /nfs/dbraw/zinc/16/77/08/348167708.db2.gz HNTFCKSBOKSDHK-UHFFFAOYSA-N 1 1 246.329 3.389 20 30 BGEDMO N#CC1(C[NH2+]Cc2cccc(F)c2)CCCCC1 ZINC000594995715 348167970 /nfs/dbraw/zinc/16/79/70/348167970.db2.gz RRTQVAQWPWNVSK-UHFFFAOYSA-N 1 1 246.329 3.389 20 30 BGEDMO N#CC1(C[NH2+]Cc2ccc(F)cc2)CCCCC1 ZINC000594995757 348167805 /nfs/dbraw/zinc/16/78/05/348167805.db2.gz SEQIFLDALPIUJE-UHFFFAOYSA-N 1 1 246.329 3.389 20 30 BGEDMO N#CC1(C[NH2+]Cc2ccsc2)CCCCC1 ZINC000594995890 348167987 /nfs/dbraw/zinc/16/79/87/348167987.db2.gz UUJKVGJFLKLNMR-UHFFFAOYSA-N 1 1 234.368 3.312 20 30 BGEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccccn1 ZINC000595090133 348191205 /nfs/dbraw/zinc/19/12/05/348191205.db2.gz CYFCGJCLVDNXJY-CYBMUJFWSA-N 1 1 243.354 3.206 20 30 BGEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccccn1 ZINC000595090134 348191159 /nfs/dbraw/zinc/19/11/59/348191159.db2.gz CYFCGJCLVDNXJY-ZDUSSCGKSA-N 1 1 243.354 3.206 20 30 BGEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cncs1 ZINC000595090151 348190820 /nfs/dbraw/zinc/19/08/20/348190820.db2.gz DIHUJUNEXBUKQY-LLVKDONJSA-N 1 1 249.383 3.268 20 30 BGEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cncs1 ZINC000595090152 348191308 /nfs/dbraw/zinc/19/13/08/348191308.db2.gz DIHUJUNEXBUKQY-NSHDSACASA-N 1 1 249.383 3.268 20 30 BGEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccoc1 ZINC000595090666 348190862 /nfs/dbraw/zinc/19/08/62/348190862.db2.gz 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3.305 20 30 BGEDMO C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597175361 348669494 /nfs/dbraw/zinc/66/94/94/348669494.db2.gz AWABAQHWSVLPEF-STQMWFEESA-N 1 1 248.395 3.305 20 30 BGEDMO C[C@H](C[N@H+]1CCC[C@H](CC#N)C1)C(C)(C)C ZINC000597175473 348669287 /nfs/dbraw/zinc/66/92/87/348669287.db2.gz BBOMOJBYHQRWHG-CHWSQXEVSA-N 1 1 222.376 3.294 20 30 BGEDMO C[C@H](C[N@H+]1CCC[C@@H](CC#N)C1)C(C)(C)C ZINC000597175486 348669648 /nfs/dbraw/zinc/66/96/48/348669648.db2.gz BBOMOJBYHQRWHG-OLZOCXBDSA-N 1 1 222.376 3.294 20 30 BGEDMO C[C@@H](C[N@H+]1CCC[C@H](CC#N)C1)C(C)(C)C ZINC000597175487 348669365 /nfs/dbraw/zinc/66/93/65/348669365.db2.gz BBOMOJBYHQRWHG-QWHCGFSZSA-N 1 1 222.376 3.294 20 30 BGEDMO C[C@@H](C[N@H+]1CCC[C@@H](CC#N)C1)C(C)(C)C ZINC000597175488 348669588 /nfs/dbraw/zinc/66/95/88/348669588.db2.gz BBOMOJBYHQRWHG-STQMWFEESA-N 1 1 222.376 3.294 20 30 BGEDMO Cc1sccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597177559 348670018 /nfs/dbraw/zinc/67/00/18/348670018.db2.gz PFMHBRHZJXEWDQ-GFCCVEGCSA-N 1 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20 30 BGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000597188300 348685341 /nfs/dbraw/zinc/68/53/41/348685341.db2.gz UEFSBQQTGQIVHQ-LBPRGKRZSA-N 1 1 246.379 3.408 20 30 BGEDMO Cc1cc(Cl)cc(C)c1C[NH+]1CC(CC#N)C1 ZINC000597194456 398011476 /nfs/dbraw/zinc/01/14/76/398011476.db2.gz TXEAIOWFGKQIPC-UHFFFAOYSA-N 1 1 248.757 3.302 20 30 BGEDMO CC(C)(C)c1ccc(C[NH+]2CC(CC#N)C2)s1 ZINC000597194635 398011528 /nfs/dbraw/zinc/01/15/28/398011528.db2.gz UTVDFPJMQLTRMU-UHFFFAOYSA-N 1 1 248.395 3.391 20 30 BGEDMO CCSc1cccc(C[NH+]2CC(CC#N)C2)c1 ZINC000597203153 348677265 /nfs/dbraw/zinc/67/72/65/348677265.db2.gz GUXFCQOYTVSIIJ-UHFFFAOYSA-N 1 1 246.379 3.144 20 30 BGEDMO CCc1cccc(Cl)c1C[NH+]1CC(CC#N)C1 ZINC000597203563 348676681 /nfs/dbraw/zinc/67/66/81/348676681.db2.gz KUWNNPHPJZLCEI-UHFFFAOYSA-N 1 1 248.757 3.248 20 30 BGEDMO C[C@H](C[NH+]1CC(CC#N)C1)c1cccc(Cl)c1 ZINC000597203582 348677149 /nfs/dbraw/zinc/67/71/49/348677149.db2.gz LMCBNJULLZODGH-LLVKDONJSA-N 1 1 248.757 3.289 20 30 BGEDMO C[C@@H](C[NH+]1CC(CC#N)C1)c1cccc(Cl)c1 ZINC000597203583 348677237 /nfs/dbraw/zinc/67/72/37/348677237.db2.gz LMCBNJULLZODGH-NSHDSACASA-N 1 1 248.757 3.289 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](CCF)C1 ZINC000597211190 348679962 /nfs/dbraw/zinc/67/99/62/348679962.db2.gz LFGSKNKQCOSWJW-CYBMUJFWSA-N 1 1 240.366 3.388 20 30 BGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000597211193 348680063 /nfs/dbraw/zinc/68/00/63/348680063.db2.gz LFGSKNKQCOSWJW-ZDUSSCGKSA-N 1 1 240.366 3.388 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3CCC3)C2)o1 ZINC000597229358 348697582 /nfs/dbraw/zinc/69/75/82/348697582.db2.gz RJSDQBRNMAAXFK-CYBMUJFWSA-N 1 1 244.338 3.163 20 30 BGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C3CCC3)C2)o1 ZINC000597229359 348697809 /nfs/dbraw/zinc/69/78/09/348697809.db2.gz RJSDQBRNMAAXFK-ZDUSSCGKSA-N 1 1 244.338 3.163 20 30 BGEDMO CC[C@H](C[N@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000597230024 348697923 /nfs/dbraw/zinc/69/79/23/348697923.db2.gz OSJQTCGVQSQYKW-GDBMZVCRSA-N 1 1 242.366 3.416 20 30 BGEDMO CC[C@@H](C[N@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000597230026 348697489 /nfs/dbraw/zinc/69/74/89/348697489.db2.gz OSJQTCGVQSQYKW-GOEBONIOSA-N 1 1 242.366 3.416 20 30 BGEDMO CC[C@@H](C[N@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000597230029 348698016 /nfs/dbraw/zinc/69/80/16/348698016.db2.gz OSJQTCGVQSQYKW-HOCLYGCPSA-N 1 1 242.366 3.416 20 30 BGEDMO CC[C@H](C[N@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000597230030 348697440 /nfs/dbraw/zinc/69/74/40/348697440.db2.gz OSJQTCGVQSQYKW-ZBFHGGJFSA-N 1 1 242.366 3.416 20 30 BGEDMO Cc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1C ZINC000597230160 348697903 /nfs/dbraw/zinc/69/79/03/348697903.db2.gz QDZFPVJQSSVBPL-HNNXBMFYSA-N 1 1 228.339 3.039 20 30 BGEDMO Cc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1C ZINC000597230169 348698037 /nfs/dbraw/zinc/69/80/37/348698037.db2.gz QDZFPVJQSSVBPL-OAHLLOKOSA-N 1 1 228.339 3.039 20 30 BGEDMO CCCc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000597230175 348697833 /nfs/dbraw/zinc/69/78/33/348697833.db2.gz GEAXXTOPOIJPHA-INIZCTEOSA-N 1 1 242.366 3.375 20 30 BGEDMO CCCc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000597230175 348697832 /nfs/dbraw/zinc/69/78/32/348697832.db2.gz GEAXXTOPOIJPHA-INIZCTEOSA-N 1 1 242.366 3.375 20 30 BGEDMO CCCc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000597230177 348697984 /nfs/dbraw/zinc/69/79/84/348697984.db2.gz GEAXXTOPOIJPHA-MRXNPFEDSA-N 1 1 242.366 3.375 20 30 BGEDMO CCCc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000597230177 348697980 /nfs/dbraw/zinc/69/79/80/348697980.db2.gz GEAXXTOPOIJPHA-MRXNPFEDSA-N 1 1 242.366 3.375 20 30 BGEDMO CC(C)(C[N@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000597230180 348697681 /nfs/dbraw/zinc/69/76/81/348697681.db2.gz GEYWRDKCETXRJY-INIZCTEOSA-N 1 1 242.366 3.200 20 30 BGEDMO CC(C)(C[N@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000597230182 348697991 /nfs/dbraw/zinc/69/79/91/348697991.db2.gz GEYWRDKCETXRJY-MRXNPFEDSA-N 1 1 242.366 3.200 20 30 BGEDMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597230439 348698814 /nfs/dbraw/zinc/69/88/14/348698814.db2.gz SAYQUTUXDXXJBM-DKGMDFAASA-N 1 1 240.350 3.325 20 30 BGEDMO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597230439 348698810 /nfs/dbraw/zinc/69/88/10/348698810.db2.gz SAYQUTUXDXXJBM-DKGMDFAASA-N 1 1 240.350 3.325 20 30 BGEDMO C/C(=C/c1ccccc1)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597230483 348698561 /nfs/dbraw/zinc/69/85/61/348698561.db2.gz SAYQUTUXDXXJBM-DNXIFWLFSA-N 1 1 240.350 3.325 20 30 BGEDMO C/C(=C/c1ccccc1)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597230483 348698559 /nfs/dbraw/zinc/69/85/59/348698559.db2.gz SAYQUTUXDXXJBM-DNXIFWLFSA-N 1 1 240.350 3.325 20 30 BGEDMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597230485 348698689 /nfs/dbraw/zinc/69/86/89/348698689.db2.gz SAYQUTUXDXXJBM-HFQYIWAZSA-N 1 1 240.350 3.325 20 30 BGEDMO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597230485 348698688 /nfs/dbraw/zinc/69/86/88/348698688.db2.gz SAYQUTUXDXXJBM-HFQYIWAZSA-N 1 1 240.350 3.325 20 30 BGEDMO C/C(=C/c1ccccc1)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597230486 348698477 /nfs/dbraw/zinc/69/84/77/348698477.db2.gz SAYQUTUXDXXJBM-SCOADAFUSA-N 1 1 240.350 3.325 20 30 BGEDMO C/C(=C/c1ccccc1)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597230486 348698476 /nfs/dbraw/zinc/69/84/76/348698476.db2.gz SAYQUTUXDXXJBM-SCOADAFUSA-N 1 1 240.350 3.325 20 30 BGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000597230902 348698781 /nfs/dbraw/zinc/69/87/81/348698781.db2.gz JYQZRTPLASZLPZ-INIZCTEOSA-N 1 1 240.350 3.300 20 30 BGEDMO C[C@@]1(C#N)CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000597230902 348698778 /nfs/dbraw/zinc/69/87/78/348698778.db2.gz JYQZRTPLASZLPZ-INIZCTEOSA-N 1 1 240.350 3.300 20 30 BGEDMO C[C@]1(C#N)CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000597230904 348698674 /nfs/dbraw/zinc/69/86/74/348698674.db2.gz JYQZRTPLASZLPZ-MRXNPFEDSA-N 1 1 240.350 3.300 20 30 BGEDMO C[C@]1(C#N)CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000597230904 348698673 /nfs/dbraw/zinc/69/86/73/348698673.db2.gz JYQZRTPLASZLPZ-MRXNPFEDSA-N 1 1 240.350 3.300 20 30 BGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000597231366 348699300 /nfs/dbraw/zinc/69/93/00/348699300.db2.gz LWPVOKCSHPEIOD-HNNXBMFYSA-N 1 1 240.306 3.168 20 30 BGEDMO C[C@@]1(C#N)CC[N@H+](Cc2coc3ccccc23)C1 ZINC000597231366 348699296 /nfs/dbraw/zinc/69/92/96/348699296.db2.gz LWPVOKCSHPEIOD-HNNXBMFYSA-N 1 1 240.306 3.168 20 30 BGEDMO C[C@]1(C#N)CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000597231367 348699764 /nfs/dbraw/zinc/69/97/64/348699764.db2.gz LWPVOKCSHPEIOD-OAHLLOKOSA-N 1 1 240.306 3.168 20 30 BGEDMO C[C@]1(C#N)CC[N@H+](Cc2coc3ccccc23)C1 ZINC000597231367 348699760 /nfs/dbraw/zinc/69/97/60/348699760.db2.gz LWPVOKCSHPEIOD-OAHLLOKOSA-N 1 1 240.306 3.168 20 30 BGEDMO CC(C)C(C[N@H+]1CC[C@@](C)(C#N)C1)C(C)C ZINC000597231374 348699994 /nfs/dbraw/zinc/69/99/94/348699994.db2.gz MCIYBTSINPFIRO-AWEZNQCLSA-N 1 1 222.376 3.150 20 30 BGEDMO CC(C)C(C[N@H+]1CC[C@](C)(C#N)C1)C(C)C ZINC000597231375 348699358 /nfs/dbraw/zinc/69/93/58/348699358.db2.gz MCIYBTSINPFIRO-CQSZACIVSA-N 1 1 222.376 3.150 20 30 BGEDMO Cc1cc(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)cc1C ZINC000597231472 348699347 /nfs/dbraw/zinc/69/93/47/348699347.db2.gz XULZMYBKLOZOBN-INIZCTEOSA-N 1 1 242.366 3.347 20 30 BGEDMO Cc1cc(C)c(C[N@H+]2CC[C@](C)(C#N)C2)cc1C ZINC000597231473 348699335 /nfs/dbraw/zinc/69/93/35/348699335.db2.gz XULZMYBKLOZOBN-MRXNPFEDSA-N 1 1 242.366 3.347 20 30 BGEDMO CCc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)s1 ZINC000597231656 348700005 /nfs/dbraw/zinc/70/00/05/348700005.db2.gz ZWLRLLXLAOBAQO-CYBMUJFWSA-N 1 1 234.368 3.046 20 30 BGEDMO CCc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)s1 ZINC000597231656 348700003 /nfs/dbraw/zinc/70/00/03/348700003.db2.gz ZWLRLLXLAOBAQO-CYBMUJFWSA-N 1 1 234.368 3.046 20 30 BGEDMO CCc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000597231657 348699776 /nfs/dbraw/zinc/69/97/76/348699776.db2.gz ZWLRLLXLAOBAQO-ZDUSSCGKSA-N 1 1 234.368 3.046 20 30 BGEDMO CCc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000597231657 348699775 /nfs/dbraw/zinc/69/97/75/348699775.db2.gz ZWLRLLXLAOBAQO-ZDUSSCGKSA-N 1 1 234.368 3.046 20 30 BGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000597231832 348699894 /nfs/dbraw/zinc/69/98/94/348699894.db2.gz OYCKJVLCZVFGKA-HNNXBMFYSA-N 1 1 240.306 3.168 20 30 BGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc3occc3c2)C1 ZINC000597231832 348699891 /nfs/dbraw/zinc/69/98/91/348699891.db2.gz OYCKJVLCZVFGKA-HNNXBMFYSA-N 1 1 240.306 3.168 20 30 BGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000597231834 348699552 /nfs/dbraw/zinc/69/95/52/348699552.db2.gz OYCKJVLCZVFGKA-OAHLLOKOSA-N 1 1 240.306 3.168 20 30 BGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc3occc3c2)C1 ZINC000597231834 348699546 /nfs/dbraw/zinc/69/95/46/348699546.db2.gz OYCKJVLCZVFGKA-OAHLLOKOSA-N 1 1 240.306 3.168 20 30 BGEDMO C[C@H](C[N@H+]1CC[C@@](C)(C#N)C1)c1ccc(F)cc1 ZINC000597232023 348699454 /nfs/dbraw/zinc/69/94/54/348699454.db2.gz QYNVNGBNFODCIN-DOMZBBRYSA-N 1 1 246.329 3.165 20 30 BGEDMO C[C@H](C[N@H+]1CC[C@](C)(C#N)C1)c1ccc(F)cc1 ZINC000597232024 348699712 /nfs/dbraw/zinc/69/97/12/348699712.db2.gz QYNVNGBNFODCIN-IUODEOHRSA-N 1 1 246.329 3.165 20 30 BGEDMO C[C@@H](C[N@H+]1CC[C@](C)(C#N)C1)c1ccc(F)cc1 ZINC000597232025 348699656 /nfs/dbraw/zinc/69/96/56/348699656.db2.gz QYNVNGBNFODCIN-SWLSCSKDSA-N 1 1 246.329 3.165 20 30 BGEDMO C[C@@H](C[N@H+]1CC[C@@](C)(C#N)C1)c1ccc(F)cc1 ZINC000597232026 348699943 /nfs/dbraw/zinc/69/99/43/348699943.db2.gz QYNVNGBNFODCIN-WFASDCNBSA-N 1 1 246.329 3.165 20 30 BGEDMO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597232278 348699306 /nfs/dbraw/zinc/69/93/06/348699306.db2.gz SDVOEYSBIRRPFW-GDBMZVCRSA-N 1 1 242.366 3.101 20 30 BGEDMO C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597232279 348699784 /nfs/dbraw/zinc/69/97/84/348699784.db2.gz SDVOEYSBIRRPFW-GOEBONIOSA-N 1 1 242.366 3.101 20 30 BGEDMO C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597232280 348699901 /nfs/dbraw/zinc/69/99/01/348699901.db2.gz SDVOEYSBIRRPFW-HOCLYGCPSA-N 1 1 242.366 3.101 20 30 BGEDMO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597232281 348699826 /nfs/dbraw/zinc/69/98/26/348699826.db2.gz SDVOEYSBIRRPFW-ZBFHGGJFSA-N 1 1 242.366 3.101 20 30 BGEDMO C[C@H](CC[N@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000597232731 348700688 /nfs/dbraw/zinc/70/06/88/348700688.db2.gz WNYXWMCLYMQHPF-GDBMZVCRSA-N 1 1 242.366 3.416 20 30 BGEDMO C[C@@H](CC[N@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000597232732 348700498 /nfs/dbraw/zinc/70/04/98/348700498.db2.gz WNYXWMCLYMQHPF-GOEBONIOSA-N 1 1 242.366 3.416 20 30 BGEDMO C[C@@H](CC[N@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000597232733 348700275 /nfs/dbraw/zinc/70/02/75/348700275.db2.gz WNYXWMCLYMQHPF-HOCLYGCPSA-N 1 1 242.366 3.416 20 30 BGEDMO C[C@H](CC[N@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000597232734 348700328 /nfs/dbraw/zinc/70/03/28/348700328.db2.gz WNYXWMCLYMQHPF-ZBFHGGJFSA-N 1 1 242.366 3.416 20 30 BGEDMO CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000597232737 348700457 /nfs/dbraw/zinc/70/04/57/348700457.db2.gz WOYSKKIJRLQTPW-AEGPPILISA-N 1 1 232.371 3.214 20 30 BGEDMO CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000597232738 348700574 /nfs/dbraw/zinc/70/05/74/348700574.db2.gz 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349012419 /nfs/dbraw/zinc/01/24/19/349012419.db2.gz RETZUDRDMPBRHT-LLVKDONJSA-N 1 1 230.302 3.094 20 30 BGEDMO N#CCCC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598650346 349012085 /nfs/dbraw/zinc/01/20/85/349012085.db2.gz RETZUDRDMPBRHT-NSHDSACASA-N 1 1 230.302 3.094 20 30 BGEDMO C[C@H]1c2ccccc2C[N@H+]1[C@H]1CC[C@H](C#N)C1 ZINC000598650663 349012381 /nfs/dbraw/zinc/01/23/81/349012381.db2.gz UXGHQTGUQKHJFX-OBJOEFQTSA-N 1 1 226.323 3.255 20 30 BGEDMO C[C@H]1c2ccccc2C[N@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC000598650674 349011880 /nfs/dbraw/zinc/01/18/80/349011880.db2.gz UXGHQTGUQKHJFX-OUCADQQQSA-N 1 1 226.323 3.255 20 30 BGEDMO C[C@H]1c2ccccc2C[N@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC000598650676 349012233 /nfs/dbraw/zinc/01/22/33/349012233.db2.gz UXGHQTGUQKHJFX-SCRDCRAPSA-N 1 1 226.323 3.255 20 30 BGEDMO C[C@H]1c2ccccc2C[N@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC000598650677 349012032 /nfs/dbraw/zinc/01/20/32/349012032.db2.gz UXGHQTGUQKHJFX-SGMGOOAPSA-N 1 1 226.323 3.255 20 30 BGEDMO CCCc1ccc(C[NH2+]CC2(C#N)CC2)s1 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3.333 20 30 BGEDMO CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)CC#N ZINC000600117734 342673993 /nfs/dbraw/zinc/67/39/93/342673993.db2.gz NWEYBEVPAUSDGZ-BFHYXJOUSA-N 1 1 222.376 3.437 20 30 BGEDMO CC[C@@H]1CCCC[C@H]1C[N@@H+](C)[C@H](C)CC#N ZINC000600117735 342674036 /nfs/dbraw/zinc/67/40/36/342674036.db2.gz NWEYBEVPAUSDGZ-MCIONIFRSA-N 1 1 222.376 3.437 20 30 BGEDMO CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@H](C)CC#N ZINC000600117736 342674322 /nfs/dbraw/zinc/67/43/22/342674322.db2.gz NWEYBEVPAUSDGZ-MGPQQGTHSA-N 1 1 222.376 3.437 20 30 BGEDMO CC[C@@H]1CCCC[C@H]1C[N@@H+](C)[C@@H](C)CC#N ZINC000600117737 342674457 /nfs/dbraw/zinc/67/44/57/342674457.db2.gz NWEYBEVPAUSDGZ-MJBXVCDLSA-N 1 1 222.376 3.437 20 30 BGEDMO C[N@@H+](Cc1ccc2[nH]ccc2c1)CC(C)(C)C#N ZINC000600171478 342695266 /nfs/dbraw/zinc/69/52/66/342695266.db2.gz VQYUUEQXWNTOJB-UHFFFAOYSA-N 1 1 241.338 3.149 20 30 BGEDMO C[N@H+](Cc1ccc2[nH]ccc2c1)CC(C)(C)C#N ZINC000600171478 342695265 /nfs/dbraw/zinc/69/52/65/342695265.db2.gz 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ZINC000602485477 349568337 /nfs/dbraw/zinc/56/83/37/349568337.db2.gz QVURYLHGZLOCNW-MCIONIFRSA-N 1 1 222.376 3.294 20 30 BGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000602485478 349568316 /nfs/dbraw/zinc/56/83/16/349568316.db2.gz QVURYLHGZLOCNW-MGPQQGTHSA-N 1 1 222.376 3.294 20 30 BGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000602485480 349568562 /nfs/dbraw/zinc/56/85/62/349568562.db2.gz QVURYLHGZLOCNW-RDBSUJKOSA-N 1 1 222.376 3.294 20 30 BGEDMO CC[C@@H](C)C[N@@H+](CC)C[C@H](C)CCC#N ZINC000602485792 349568531 /nfs/dbraw/zinc/56/85/31/349568531.db2.gz STCGCRKUDTYFEJ-CHWSQXEVSA-N 1 1 210.365 3.294 20 30 BGEDMO CC[C@@H](C)C[N@@H+](CC)C[C@@H](C)CCC#N ZINC000602485793 349567960 /nfs/dbraw/zinc/56/79/60/349567960.db2.gz STCGCRKUDTYFEJ-OLZOCXBDSA-N 1 1 210.365 3.294 20 30 BGEDMO CC[C@H](C)C[N@@H+](CC)C[C@H](C)CCC#N ZINC000602485795 349568363 /nfs/dbraw/zinc/56/83/63/349568363.db2.gz STCGCRKUDTYFEJ-QWHCGFSZSA-N 1 1 210.365 3.294 20 30 BGEDMO CC[C@H](C)C[N@@H+](CC)C[C@@H](C)CCC#N ZINC000602485796 349568443 /nfs/dbraw/zinc/56/84/43/349568443.db2.gz STCGCRKUDTYFEJ-STQMWFEESA-N 1 1 210.365 3.294 20 30 BGEDMO C[C@H](CCC#N)C[N@@H+](CC(F)F)CC1CCC1 ZINC000602487162 349569607 /nfs/dbraw/zinc/56/96/07/349569607.db2.gz VBXUDLKDBIXAEX-LLVKDONJSA-N 1 1 244.329 3.293 20 30 BGEDMO C[C@@H](CCC#N)C[N@@H+](CC(F)F)CC1CCC1 ZINC000602487163 349569333 /nfs/dbraw/zinc/56/93/33/349569333.db2.gz VBXUDLKDBIXAEX-NSHDSACASA-N 1 1 244.329 3.293 20 30 BGEDMO CCSCC[C@@H](C)[N@@H+](C)C[C@H](C)CCC#N ZINC000602487410 349569486 /nfs/dbraw/zinc/56/94/86/349569486.db2.gz XGQSXUNEFOMTGV-CHWSQXEVSA-N 1 1 242.432 3.390 20 30 BGEDMO CCSCC[C@H](C)[N@@H+](C)C[C@H](C)CCC#N ZINC000602487419 349568845 /nfs/dbraw/zinc/56/88/45/349568845.db2.gz XGQSXUNEFOMTGV-OLZOCXBDSA-N 1 1 242.432 3.390 20 30 BGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000602487647 349569397 /nfs/dbraw/zinc/56/93/97/349569397.db2.gz XMCGANHBNZESDN-NEPJUHHUSA-N 1 1 208.349 3.047 20 30 BGEDMO 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/nfs/dbraw/zinc/26/11/71/343261171.db2.gz DJRGECDSBZDGSQ-NEPJUHHUSA-N 1 1 228.339 3.128 20 30 BGEDMO C[C@@H]([NH2+][C@@H](C)CC#N)c1ccc2c(c1)CCC2 ZINC000609030746 343260888 /nfs/dbraw/zinc/26/08/88/343260888.db2.gz DJRGECDSBZDGSQ-NWDGAFQWSA-N 1 1 228.339 3.128 20 30 BGEDMO C[C@@H](CC#N)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000609030747 343261182 /nfs/dbraw/zinc/26/11/82/343261182.db2.gz DJRGECDSBZDGSQ-RYUDHWBXSA-N 1 1 228.339 3.128 20 30 BGEDMO C[C@H](CC#N)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000609030748 343260883 /nfs/dbraw/zinc/26/08/83/343260883.db2.gz DJRGECDSBZDGSQ-VXGBXAGGSA-N 1 1 228.339 3.128 20 30 BGEDMO Cc1ccc(SCC[NH2+][C@H](C)CC#N)cc1C ZINC000609030926 343261013 /nfs/dbraw/zinc/26/10/13/343261013.db2.gz RTOUKOKPAYVYPX-CYBMUJFWSA-N 1 1 248.395 3.287 20 30 BGEDMO Cc1ccc(SCC[NH2+][C@@H](C)CC#N)cc1C ZINC000609030927 343260960 /nfs/dbraw/zinc/26/09/60/343260960.db2.gz RTOUKOKPAYVYPX-ZDUSSCGKSA-N 1 1 248.395 3.287 20 30 BGEDMO N#CCCCC[N@H+]1CCCc2sccc2C1 ZINC000609323148 343416238 /nfs/dbraw/zinc/41/62/38/343416238.db2.gz VZPYLUOEQFRTCR-UHFFFAOYSA-N 1 1 234.368 3.190 20 30 BGEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)C1CCC1 ZINC000610001850 356687369 /nfs/dbraw/zinc/68/73/69/356687369.db2.gz FYFDFFVPBRVMKL-UHFFFAOYSA-N 1 1 232.302 3.072 20 30 BGEDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCCC#N ZINC000610003955 356688532 /nfs/dbraw/zinc/68/85/32/356688532.db2.gz SPQQIMCLFBLWMR-LLVKDONJSA-N 1 1 232.302 3.049 20 30 BGEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCCC#N ZINC000610003956 356689068 /nfs/dbraw/zinc/68/90/68/356689068.db2.gz SPQQIMCLFBLWMR-NSHDSACASA-N 1 1 232.302 3.049 20 30 BGEDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCCC#N ZINC000610004141 356688554 /nfs/dbraw/zinc/68/85/54/356688554.db2.gz AXIBCLFTKXDCEH-LLVKDONJSA-N 1 1 232.302 3.049 20 30 BGEDMO C[C@@H]1c2c(F)cccc2CC[N@H+]1CCCC#N ZINC000610004141 356688549 /nfs/dbraw/zinc/68/85/49/356688549.db2.gz AXIBCLFTKXDCEH-LLVKDONJSA-N 1 1 232.302 3.049 20 30 BGEDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1CCCC#N ZINC000610004142 356688660 /nfs/dbraw/zinc/68/86/60/356688660.db2.gz AXIBCLFTKXDCEH-NSHDSACASA-N 1 1 232.302 3.049 20 30 BGEDMO C[C@H]1c2c(F)cccc2CC[N@H+]1CCCC#N ZINC000610004142 356688654 /nfs/dbraw/zinc/68/86/54/356688654.db2.gz AXIBCLFTKXDCEH-NSHDSACASA-N 1 1 232.302 3.049 20 30 BGEDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCCCC#N ZINC000610004517 356688720 /nfs/dbraw/zinc/68/87/20/356688720.db2.gz NYVIBJYGRZKYOE-GFCCVEGCSA-N 1 1 246.329 3.439 20 30 BGEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCCCC#N ZINC000610004522 356688823 /nfs/dbraw/zinc/68/88/23/356688823.db2.gz NYVIBJYGRZKYOE-LBPRGKRZSA-N 1 1 246.329 3.439 20 30 BGEDMO C=CCCCCC[N@H+](C)CC(=O)OC(C)(C)C ZINC000610079885 357065984 /nfs/dbraw/zinc/06/59/84/357065984.db2.gz CBBJLELLKIHMFR-UHFFFAOYSA-N 1 1 241.375 3.006 20 30 BGEDMO C=CCCCCC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000610079885 357065977 /nfs/dbraw/zinc/06/59/77/357065977.db2.gz CBBJLELLKIHMFR-UHFFFAOYSA-N 1 1 241.375 3.006 20 30 BGEDMO Cc1ccc(CC[N@H+](CCC#N)C(C)C)cc1 ZINC000610161377 357263045 /nfs/dbraw/zinc/26/30/45/357263045.db2.gz PPPIOWWOQIRNEA-UHFFFAOYSA-N 1 1 230.355 3.162 20 30 BGEDMO C=CCCCCC[N@H+](C)CCSCC ZINC000610215171 357277809 /nfs/dbraw/zinc/27/78/09/357277809.db2.gz KFPHNCQXIXLHTJ-UHFFFAOYSA-N 1 1 215.406 3.418 20 30 BGEDMO CC[N@@H+](CCCC(C)(C)C#N)Cc1ccoc1 ZINC000610447737 357942678 /nfs/dbraw/zinc/94/26/78/357942678.db2.gz IRZASYUQTWQYNT-UHFFFAOYSA-N 1 1 234.343 3.431 20 30 BGEDMO N#CCCCC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505520 357958372 /nfs/dbraw/zinc/95/83/72/357958372.db2.gz NEPUCLHGHQHYLU-AWEZNQCLSA-N 1 1 232.302 3.266 20 30 BGEDMO N#CCCCC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505521 357958137 /nfs/dbraw/zinc/95/81/37/357958137.db2.gz NEPUCLHGHQHYLU-CQSZACIVSA-N 1 1 232.302 3.266 20 30 BGEDMO C[N@@H+](CCCC#N)[C@H]1CCCc2ccccc21 ZINC000610665242 358051720 /nfs/dbraw/zinc/05/17/20/358051720.db2.gz OKQPBTIOQNOVCF-HNNXBMFYSA-N 1 1 228.339 3.300 20 30 BGEDMO C[N@@H+](CCCC#N)[C@@H]1CCCc2ccccc21 ZINC000610665243 358051661 /nfs/dbraw/zinc/05/16/61/358051661.db2.gz OKQPBTIOQNOVCF-OAHLLOKOSA-N 1 1 228.339 3.300 20 30 BGEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCC#N ZINC000610783295 358155890 /nfs/dbraw/zinc/15/58/90/358155890.db2.gz GJIZRLHBKSBMNU-HNNXBMFYSA-N 1 1 228.339 3.155 20 30 BGEDMO CC(C)[C@H]1c2ccccc2CC[N@H+]1CCC#N ZINC000610783295 358155889 /nfs/dbraw/zinc/15/58/89/358155889.db2.gz GJIZRLHBKSBMNU-HNNXBMFYSA-N 1 1 228.339 3.155 20 30 BGEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CCC#N ZINC000610783296 358155990 /nfs/dbraw/zinc/15/59/90/358155990.db2.gz GJIZRLHBKSBMNU-OAHLLOKOSA-N 1 1 228.339 3.155 20 30 BGEDMO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CCC#N ZINC000610783296 358155987 /nfs/dbraw/zinc/15/59/87/358155987.db2.gz GJIZRLHBKSBMNU-OAHLLOKOSA-N 1 1 228.339 3.155 20 30 BGEDMO C[N@@H+](CCCC(C)(C)C#N)CCOC(C)(C)C ZINC000610859925 358214856 /nfs/dbraw/zinc/21/48/56/358214856.db2.gz VSUWZDPUUXKALC-UHFFFAOYSA-N 1 1 240.391 3.063 20 30 BGEDMO C[N@@H+](Cc1cccc(O)c1)CC(C)(C)CCC#N ZINC000610930359 358245993 /nfs/dbraw/zinc/24/59/93/358245993.db2.gz BNEINQLDSLDIDT-UHFFFAOYSA-N 1 1 246.354 3.154 20 30 BGEDMO CCC(CC)[N@@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610992148 358423765 /nfs/dbraw/zinc/42/37/65/358423765.db2.gz FLWLWHMFMATDNB-UHFFFAOYSA-N 1 1 243.354 3.106 20 30 BGEDMO C=CCCCCC[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610993259 358424945 /nfs/dbraw/zinc/42/49/45/358424945.db2.gz KGEYXQHDRGMLPL-UHFFFAOYSA-N 1 1 243.354 3.131 20 30 BGEDMO CC(C)[N@@H+](Cc1ccnc(C#N)c1)C1CCCC1 ZINC000610993639 358422601 /nfs/dbraw/zinc/42/26/01/358422601.db2.gz XTWJDMPYGATGTA-UHFFFAOYSA-N 1 1 243.354 3.106 20 30 BGEDMO C[C@H](C#N)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000611091443 358628585 /nfs/dbraw/zinc/62/85/85/358628585.db2.gz AUFRYCGEMDOKIQ-GFCCVEGCSA-N 1 1 220.360 3.191 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000611091444 358628233 /nfs/dbraw/zinc/62/82/33/358628233.db2.gz AUFRYCGEMDOKIQ-LBPRGKRZSA-N 1 1 220.360 3.191 20 30 BGEDMO CC[N@@H+](CCC#N)Cc1ccccc1C1CC1 ZINC000611253913 359274911 /nfs/dbraw/zinc/27/49/11/359274911.db2.gz UGHUVYXENBNIFF-UHFFFAOYSA-N 1 1 228.339 3.300 20 30 BGEDMO CC[N@H+](CCC#N)Cc1ccccc1C1CC1 ZINC000611253913 359274907 /nfs/dbraw/zinc/27/49/07/359274907.db2.gz UGHUVYXENBNIFF-UHFFFAOYSA-N 1 1 228.339 3.300 20 30 BGEDMO N#Cc1ccc(C[N@@H+](C2CC2)C2CCCCC2)o1 ZINC000611254861 359275151 /nfs/dbraw/zinc/27/51/51/359275151.db2.gz MYCRQEJXWBUSEZ-UHFFFAOYSA-N 1 1 244.338 3.448 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1C1CC1 ZINC000611260985 359276418 /nfs/dbraw/zinc/27/64/18/359276418.db2.gz SUVAYIIMYUZCBI-GFCCVEGCSA-N 1 1 228.339 3.155 20 30 BGEDMO C[C@H](C#N)C[N@H+](C)Cc1ccccc1C1CC1 ZINC000611260985 359276413 /nfs/dbraw/zinc/27/64/13/359276413.db2.gz SUVAYIIMYUZCBI-GFCCVEGCSA-N 1 1 228.339 3.155 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1C1CC1 ZINC000611260986 359276531 /nfs/dbraw/zinc/27/65/31/359276531.db2.gz SUVAYIIMYUZCBI-LBPRGKRZSA-N 1 1 228.339 3.155 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1C1CC1 ZINC000611260986 359276525 /nfs/dbraw/zinc/27/65/25/359276525.db2.gz SUVAYIIMYUZCBI-LBPRGKRZSA-N 1 1 228.339 3.155 20 30 BGEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccccc1C1CC1 ZINC000611268601 359284107 /nfs/dbraw/zinc/28/41/07/359284107.db2.gz ODHNIYOFXPVSHT-GFCCVEGCSA-N 1 1 228.339 3.298 20 30 BGEDMO C[C@H](CC#N)[N@H+](C)Cc1ccccc1C1CC1 ZINC000611268601 359284102 /nfs/dbraw/zinc/28/41/02/359284102.db2.gz ODHNIYOFXPVSHT-GFCCVEGCSA-N 1 1 228.339 3.298 20 30 BGEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccccc1C1CC1 ZINC000611268606 359284175 /nfs/dbraw/zinc/28/41/75/359284175.db2.gz ODHNIYOFXPVSHT-LBPRGKRZSA-N 1 1 228.339 3.298 20 30 BGEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccccc1C1CC1 ZINC000611268606 359284170 /nfs/dbraw/zinc/28/41/70/359284170.db2.gz ODHNIYOFXPVSHT-LBPRGKRZSA-N 1 1 228.339 3.298 20 30 BGEDMO C[N@@H+](CCOC(C)(C)C)CC(C)(C)CCC#N ZINC000611274722 359288156 /nfs/dbraw/zinc/28/81/56/359288156.db2.gz NCQZBRJLAOLTKP-UHFFFAOYSA-N 1 1 240.391 3.063 20 30 BGEDMO C[C@@H](CC#N)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000611304833 359306024 /nfs/dbraw/zinc/30/60/24/359306024.db2.gz RBWXLCPGEXDEBZ-HZMBPMFUSA-N 1 1 232.302 3.095 20 30 BGEDMO C[C@@H](CC#N)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000611304834 359306597 /nfs/dbraw/zinc/30/65/97/359306597.db2.gz RBWXLCPGEXDEBZ-IINYFYTJSA-N 1 1 232.302 3.095 20 30 BGEDMO C[C@H](CC#N)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000611304835 359306543 /nfs/dbraw/zinc/30/65/43/359306543.db2.gz RBWXLCPGEXDEBZ-QMTHXVAHSA-N 1 1 232.302 3.095 20 30 BGEDMO C[C@H](CC#N)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000611304836 359307064 /nfs/dbraw/zinc/30/70/64/359307064.db2.gz RBWXLCPGEXDEBZ-YGRLFVJLSA-N 1 1 232.302 3.095 20 30 BGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2C2CC2)c1F ZINC000611371359 359350357 /nfs/dbraw/zinc/35/03/57/359350357.db2.gz CPHPGWAXLVOZNZ-AWEZNQCLSA-N 1 1 244.313 3.072 20 30 BGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2C2CC2)c1F ZINC000611371360 359350694 /nfs/dbraw/zinc/35/06/94/359350694.db2.gz CPHPGWAXLVOZNZ-CQSZACIVSA-N 1 1 244.313 3.072 20 30 BGEDMO CC[N@@H+](CCC#N)CC(C)(C)c1ccccc1 ZINC000611410559 359360686 /nfs/dbraw/zinc/36/06/86/359360686.db2.gz ITUDWXRUQDRREX-UHFFFAOYSA-N 1 1 230.355 3.200 20 30 BGEDMO CC[N@H+](CCC#N)CC(C)(C)c1ccccc1 ZINC000611410559 359360684 /nfs/dbraw/zinc/36/06/84/359360684.db2.gz ITUDWXRUQDRREX-UHFFFAOYSA-N 1 1 230.355 3.200 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)CC(C)(C)c1ccccc1 ZINC000611411268 359362119 /nfs/dbraw/zinc/36/21/19/359362119.db2.gz VGUCPDRNJRSFMT-CYBMUJFWSA-N 1 1 230.355 3.056 20 30 BGEDMO C[C@H](C#N)C[N@H+](C)CC(C)(C)c1ccccc1 ZINC000611411268 359362115 /nfs/dbraw/zinc/36/21/15/359362115.db2.gz VGUCPDRNJRSFMT-CYBMUJFWSA-N 1 1 230.355 3.056 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)CC(C)(C)c1ccccc1 ZINC000611411269 359362200 /nfs/dbraw/zinc/36/22/00/359362200.db2.gz VGUCPDRNJRSFMT-ZDUSSCGKSA-N 1 1 230.355 3.056 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)CC(C)(C)c1ccccc1 ZINC000611411269 359362195 /nfs/dbraw/zinc/36/21/95/359362195.db2.gz VGUCPDRNJRSFMT-ZDUSSCGKSA-N 1 1 230.355 3.056 20 30 BGEDMO N#CC1(C[N@@H+](C2CC2)C2CCCCC2)CC1 ZINC000611429098 359367813 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INXHLFGMTJHUJV-XHDPSFHLSA-N 1 1 246.329 3.047 20 30 BGEDMO Cc1cccc(N[C@H]2CCc3cc(C#N)ccc32)[nH+]1 ZINC000618693493 356951091 /nfs/dbraw/zinc/95/10/91/356951091.db2.gz IEXFQZXIFOWCAS-HNNXBMFYSA-N 1 1 249.317 3.361 20 30 BGEDMO Cc1cccc(N[C@@H]2CCc3cc(C#N)ccc32)[nH+]1 ZINC000618693494 356951148 /nfs/dbraw/zinc/95/11/48/356951148.db2.gz IEXFQZXIFOWCAS-OAHLLOKOSA-N 1 1 249.317 3.361 20 30 BGEDMO Cc1cc[nH+]c(N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618693842 369198926 /nfs/dbraw/zinc/19/89/26/369198926.db2.gz QNHHXDHBUBNBRO-HNNXBMFYSA-N 1 1 249.317 3.361 20 30 BGEDMO Cc1cc[nH+]c(N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618693843 357003466 /nfs/dbraw/zinc/00/34/66/357003466.db2.gz QNHHXDHBUBNBRO-OAHLLOKOSA-N 1 1 249.317 3.361 20 30 BGEDMO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCc2ccccc21 ZINC000618745952 369207665 /nfs/dbraw/zinc/20/76/65/369207665.db2.gz UKMDFIXIGHWINU-DOMZBBRYSA-N 1 1 228.339 3.155 20 30 BGEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCc2ccccc21 ZINC000618745953 369207113 /nfs/dbraw/zinc/20/71/13/369207113.db2.gz UKMDFIXIGHWINU-IUODEOHRSA-N 1 1 228.339 3.155 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCc2ccccc21 ZINC000618745954 369207132 /nfs/dbraw/zinc/20/71/32/369207132.db2.gz UKMDFIXIGHWINU-SWLSCSKDSA-N 1 1 228.339 3.155 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCc2ccccc21 ZINC000618745955 369206906 /nfs/dbraw/zinc/20/69/06/369206906.db2.gz UKMDFIXIGHWINU-WFASDCNBSA-N 1 1 228.339 3.155 20 30 BGEDMO C=CCCCCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000618753957 369210184 /nfs/dbraw/zinc/21/01/84/369210184.db2.gz JSZTYDBYZXCDRT-AWEZNQCLSA-N 1 1 220.360 3.358 20 30 BGEDMO C=CCCCCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000618753966 369209735 /nfs/dbraw/zinc/20/97/35/369209735.db2.gz JSZTYDBYZXCDRT-CQSZACIVSA-N 1 1 220.360 3.358 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000618767536 369214720 /nfs/dbraw/zinc/21/47/20/369214720.db2.gz ORTGABLDHPGGEL-INIZCTEOSA-N 1 1 240.350 3.407 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000618767537 369215001 /nfs/dbraw/zinc/21/50/01/369215001.db2.gz ORTGABLDHPGGEL-MRXNPFEDSA-N 1 1 240.350 3.407 20 30 BGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccccc1 ZINC000618886976 352152456 /nfs/dbraw/zinc/15/24/56/352152456.db2.gz BONNZKZIRFEVHX-CYBMUJFWSA-N 1 1 216.328 3.058 20 30 BGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccccc1 ZINC000618886977 352152398 /nfs/dbraw/zinc/15/23/98/352152398.db2.gz BONNZKZIRFEVHX-ZDUSSCGKSA-N 1 1 216.328 3.058 20 30 BGEDMO CC(C)[C@@H](C)[N@H+](C[C@H](C)CCC#N)C1CC1 ZINC000618887009 369234421 /nfs/dbraw/zinc/23/44/21/369234421.db2.gz DPIYSWDSOOJMQN-CHWSQXEVSA-N 1 1 222.376 3.435 20 30 BGEDMO CC(C)[C@H](C)[N@H+](C[C@H](C)CCC#N)C1CC1 ZINC000618887010 369233815 /nfs/dbraw/zinc/23/38/15/369233815.db2.gz DPIYSWDSOOJMQN-OLZOCXBDSA-N 1 1 222.376 3.435 20 30 BGEDMO CC(C)[C@@H](C)[N@H+](C[C@@H](C)CCC#N)C1CC1 ZINC000618887011 369234216 /nfs/dbraw/zinc/23/42/16/369234216.db2.gz DPIYSWDSOOJMQN-QWHCGFSZSA-N 1 1 222.376 3.435 20 30 BGEDMO CC(C)[C@H](C)[N@H+](C[C@@H](C)CCC#N)C1CC1 ZINC000618887012 369234169 /nfs/dbraw/zinc/23/41/69/369234169.db2.gz DPIYSWDSOOJMQN-STQMWFEESA-N 1 1 222.376 3.435 20 30 BGEDMO CCC[N@@H+](C[C@H](C)CCC#N)CC1CC1 ZINC000618887315 352158941 /nfs/dbraw/zinc/15/89/41/352158941.db2.gz SOKSEANTELRBNO-GFCCVEGCSA-N 1 1 208.349 3.048 20 30 BGEDMO CCC[N@@H+](C[C@@H](C)CCC#N)CC1CC1 ZINC000618887318 352159050 /nfs/dbraw/zinc/15/90/50/352159050.db2.gz SOKSEANTELRBNO-LBPRGKRZSA-N 1 1 208.349 3.048 20 30 BGEDMO CC[N@H+](Cc1ccoc1)C[C@H](C)CCC#N ZINC000618887321 352159002 /nfs/dbraw/zinc/15/90/02/352159002.db2.gz UBUMNGMURDCWNL-GFCCVEGCSA-N 1 1 220.316 3.041 20 30 BGEDMO CC[N@H+](Cc1ccoc1)C[C@@H](C)CCC#N ZINC000618887324 352159284 /nfs/dbraw/zinc/15/92/84/352159284.db2.gz UBUMNGMURDCWNL-LBPRGKRZSA-N 1 1 220.316 3.041 20 30 BGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000618887495 352160877 /nfs/dbraw/zinc/16/08/77/352160877.db2.gz AXJJCLKOWMQGEA-CHWSQXEVSA-N 1 1 231.343 3.014 20 30 BGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000618887496 352161144 /nfs/dbraw/zinc/16/11/44/352161144.db2.gz AXJJCLKOWMQGEA-OLZOCXBDSA-N 1 1 231.343 3.014 20 30 BGEDMO C[C@H](c1ccncc1)[N@H+](C)C[C@@H](C)CCC#N ZINC000618887497 352161166 /nfs/dbraw/zinc/16/11/66/352161166.db2.gz AXJJCLKOWMQGEA-QWHCGFSZSA-N 1 1 231.343 3.014 20 30 BGEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000618887498 352161183 /nfs/dbraw/zinc/16/11/83/352161183.db2.gz AXJJCLKOWMQGEA-STQMWFEESA-N 1 1 231.343 3.014 20 30 BGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000618888005 352163182 /nfs/dbraw/zinc/16/31/82/352163182.db2.gz OIOVBWVVULIVAK-CHWSQXEVSA-N 1 1 231.343 3.014 20 30 BGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000618888007 352163208 /nfs/dbraw/zinc/16/32/08/352163208.db2.gz OIOVBWVVULIVAK-OLZOCXBDSA-N 1 1 231.343 3.014 20 30 BGEDMO C[C@H](c1cccnc1)[N@H+](C)C[C@@H](C)CCC#N ZINC000618888008 352163151 /nfs/dbraw/zinc/16/31/51/352163151.db2.gz OIOVBWVVULIVAK-QWHCGFSZSA-N 1 1 231.343 3.014 20 30 BGEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000618888010 352163100 /nfs/dbraw/zinc/16/31/00/352163100.db2.gz OIOVBWVVULIVAK-STQMWFEESA-N 1 1 231.343 3.014 20 30 BGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000618888245 352165574 /nfs/dbraw/zinc/16/55/74/352165574.db2.gz UVKMKYHONKEXFU-CHWSQXEVSA-N 1 1 231.343 3.014 20 30 BGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000618888246 352166243 /nfs/dbraw/zinc/16/62/43/352166243.db2.gz UVKMKYHONKEXFU-OLZOCXBDSA-N 1 1 231.343 3.014 20 30 BGEDMO C[C@H](c1ccccn1)[N@H+](C)C[C@@H](C)CCC#N ZINC000618888249 352166283 /nfs/dbraw/zinc/16/62/83/352166283.db2.gz UVKMKYHONKEXFU-QWHCGFSZSA-N 1 1 231.343 3.014 20 30 BGEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000618888251 352166697 /nfs/dbraw/zinc/16/66/97/352166697.db2.gz UVKMKYHONKEXFU-STQMWFEESA-N 1 1 231.343 3.014 20 30 BGEDMO C[C@H](CCC#N)C[N@H+]1CCc2ccc(F)cc2C1 ZINC000618888410 386239629 /nfs/dbraw/zinc/23/96/29/386239629.db2.gz RZKNIEFDRBCINJ-GFCCVEGCSA-N 1 1 246.329 3.124 20 30 BGEDMO C[C@@H](CCC#N)C[N@H+]1CCc2ccc(F)cc2C1 ZINC000618888412 386239297 /nfs/dbraw/zinc/23/92/97/386239297.db2.gz RZKNIEFDRBCINJ-LBPRGKRZSA-N 1 1 246.329 3.124 20 30 BGEDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619286409 369310632 /nfs/dbraw/zinc/31/06/32/369310632.db2.gz LPHOYCBJFRIMDA-BETUJISGSA-N 1 1 242.366 3.470 20 30 BGEDMO CCc1cccc(F)c1C[NH2+]CC(C)(C)C#N ZINC000619428847 369345851 /nfs/dbraw/zinc/34/58/51/369345851.db2.gz CONHOSLKVDQOIV-UHFFFAOYSA-N 1 1 234.318 3.027 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC(C)=C(C)C1 ZINC000619517016 411172954 /nfs/dbraw/zinc/17/29/54/411172954.db2.gz IZWDPCDRXORLPS-UHFFFAOYSA-N 1 1 240.350 3.409 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000619532313 369464326 /nfs/dbraw/zinc/46/43/26/369464326.db2.gz MRILPSMUMCLMNI-GFCCVEGCSA-N 1 1 240.350 3.265 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000619532314 369464007 /nfs/dbraw/zinc/46/40/07/369464007.db2.gz MRILPSMUMCLMNI-LBPRGKRZSA-N 1 1 240.350 3.265 20 30 BGEDMO Cc1nc([C@@H](C)[NH2+]CC2(CC#N)CC2)c(C)s1 ZINC000619535121 369467012 /nfs/dbraw/zinc/46/70/12/369467012.db2.gz WHXNYYAHZMIKOT-SECBINFHSA-N 1 1 249.383 3.104 20 30 BGEDMO Cc1nc([C@H](C)[NH2+]CC2(CC#N)CC2)c(C)s1 ZINC000619535122 369467091 /nfs/dbraw/zinc/46/70/91/369467091.db2.gz WHXNYYAHZMIKOT-VIFPVBQESA-N 1 1 249.383 3.104 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC=C(C)C1 ZINC000619554161 369477142 /nfs/dbraw/zinc/47/71/42/369477142.db2.gz UPEKEMDDWVAKAC-UHFFFAOYSA-N 1 1 226.323 3.019 20 30 BGEDMO CC(C)C[C@H](C)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000619621207 369496244 /nfs/dbraw/zinc/49/62/44/369496244.db2.gz NRXHDYIENHRUIE-KBPBESRZSA-N 1 1 222.376 3.294 20 30 BGEDMO CC(C)C[C@@H](C)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000619621208 369496067 /nfs/dbraw/zinc/49/60/67/369496067.db2.gz NRXHDYIENHRUIE-KGLIPLIRSA-N 1 1 222.376 3.294 20 30 BGEDMO CC(C)C[C@H](C)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000619621209 369496493 /nfs/dbraw/zinc/49/64/93/369496493.db2.gz NRXHDYIENHRUIE-UONOGXRCSA-N 1 1 222.376 3.294 20 30 BGEDMO CC(C)C[C@@H](C)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000619621210 369496418 /nfs/dbraw/zinc/49/64/18/369496418.db2.gz NRXHDYIENHRUIE-ZIAGYGMSSA-N 1 1 222.376 3.294 20 30 BGEDMO N#Cc1ccc(C[NH2+]Cc2ccco2)cc1Cl ZINC000619748338 369570695 /nfs/dbraw/zinc/57/06/95/369570695.db2.gz AVLSUELQGZCHJS-UHFFFAOYSA-N 1 1 246.697 3.094 20 30 BGEDMO CC(C)[N@@H+](CCC#N)C[C@@H](C)C(C)(C)C ZINC000619843810 369615839 /nfs/dbraw/zinc/61/58/39/369615839.db2.gz MCOMZGMGGSDPMF-GFCCVEGCSA-N 1 1 210.365 3.293 20 30 BGEDMO CC(C)[N@@H+](CCC#N)C[C@H](C)C(C)(C)C ZINC000619843811 369615826 /nfs/dbraw/zinc/61/58/26/369615826.db2.gz MCOMZGMGGSDPMF-LBPRGKRZSA-N 1 1 210.365 3.293 20 30 BGEDMO CC[N@H+](C[C@H](C)C(C)(C)C)C[C@H](C)C#N ZINC000619843872 369616439 /nfs/dbraw/zinc/61/64/39/369616439.db2.gz YWAUBRKVOYNHFY-NEPJUHHUSA-N 1 1 210.365 3.150 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](C)C(C)(C)C ZINC000619843873 369616587 /nfs/dbraw/zinc/61/65/87/369616587.db2.gz YWAUBRKVOYNHFY-NWDGAFQWSA-N 1 1 210.365 3.150 20 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244.382 3.021 20 30 BGEDMO C=CC[N@@H+](Cc1cccc2ncccc12)C1CC1 ZINC000639062809 353376649 /nfs/dbraw/zinc/37/66/49/353376649.db2.gz TXXIJYPGCAVTSI-UHFFFAOYSA-N 1 1 238.334 3.385 20 30 BGEDMO C=CC[N@H+](C)Cc1ccc(CC(F)(F)F)cc1 ZINC000639067897 353378157 /nfs/dbraw/zinc/37/81/57/353378157.db2.gz NTQRIFWUPSKQHF-UHFFFAOYSA-N 1 1 243.272 3.409 20 30 BGEDMO C=CC[N@H+](C)Cc1ccccc1CC(F)(F)F ZINC000639067940 353378281 /nfs/dbraw/zinc/37/82/81/353378281.db2.gz OTYSYGZEGXAOEI-UHFFFAOYSA-N 1 1 243.272 3.409 20 30 BGEDMO C=CCC[N@H+](C)Cc1c(C)cccc1OC ZINC000639089728 353457677 /nfs/dbraw/zinc/45/76/77/353457677.db2.gz BTLCAISTVUJLKZ-UHFFFAOYSA-N 1 1 219.328 3.012 20 30 BGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639089932 353458554 /nfs/dbraw/zinc/45/85/54/353458554.db2.gz CLVYJEIJHTUUFP-HNNXBMFYSA-N 1 1 244.382 3.021 20 30 BGEDMO C=CCC[N@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000639089936 353458529 /nfs/dbraw/zinc/45/85/29/353458529.db2.gz CLVYJEIJHTUUFP-OAHLLOKOSA-N 1 1 244.382 3.021 20 30 BGEDMO 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C=CCCCCC[N@H+](CC)[C@H]1CCCOC1 ZINC000649755203 398085384 /nfs/dbraw/zinc/08/53/84/398085384.db2.gz HXYBRYSKUIJHOG-AWEZNQCLSA-N 1 1 225.376 3.234 20 30 BGEDMO C=CCCCCC[N@H+](CC)[C@@H]1CCCOC1 ZINC000649755204 398085492 /nfs/dbraw/zinc/08/54/92/398085492.db2.gz HXYBRYSKUIJHOG-CQSZACIVSA-N 1 1 225.376 3.234 20 30 BGEDMO C=CC[N@@H+]1CCCC[C@H]1Cc1ccc(OC)cc1 ZINC000649792461 398102716 /nfs/dbraw/zinc/10/27/16/398102716.db2.gz GAEMZUYKNVSZSJ-HNNXBMFYSA-N 1 1 245.366 3.278 20 30 BGEDMO C=CC[N@@H+]1CCCC[C@@H]1Cc1ccc(OC)cc1 ZINC000649792462 398102742 /nfs/dbraw/zinc/10/27/42/398102742.db2.gz GAEMZUYKNVSZSJ-OAHLLOKOSA-N 1 1 245.366 3.278 20 30 BGEDMO C=CCCC[N@H+](Cc1cnn(CC)c1)C(C)C ZINC000649812966 398118808 /nfs/dbraw/zinc/11/88/08/398118808.db2.gz QHHQVRCCOOERMF-UHFFFAOYSA-N 1 1 235.375 3.080 20 30 BGEDMO C=C(CC)C[N@H+](Cc1cnn(CC)c1)C(C)C ZINC000649814407 398119815 /nfs/dbraw/zinc/11/98/15/398119815.db2.gz NBZKXIWCDVQQMY-UHFFFAOYSA-N 1 1 235.375 3.080 20 30 BGEDMO C=CCCCC[N@H+](Cc1cnn(CC)c1)C(C)C ZINC000649814439 398119765 /nfs/dbraw/zinc/11/97/65/398119765.db2.gz OJSRXAYTICYYJJ-UHFFFAOYSA-N 1 1 249.402 3.470 20 30 BGEDMO C=C(C)CC[N@H+](Cc1cnn(CC)c1)C(C)C ZINC000649814660 398119919 /nfs/dbraw/zinc/11/99/19/398119919.db2.gz YKMXMJAQOJPIOG-UHFFFAOYSA-N 1 1 235.375 3.080 20 30 BGEDMO C=C(C)C[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000649833435 398131534 /nfs/dbraw/zinc/13/15/34/398131534.db2.gz NJKCSTCASRASQV-CYBMUJFWSA-N 1 1 215.340 3.224 20 30 BGEDMO C=C(C)C[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000649833436 398131258 /nfs/dbraw/zinc/13/12/58/398131258.db2.gz NJKCSTCASRASQV-ZDUSSCGKSA-N 1 1 215.340 3.224 20 30 BGEDMO C=CCC[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000649834394 398132901 /nfs/dbraw/zinc/13/29/01/398132901.db2.gz KLPOSAAUYKBIMZ-CYBMUJFWSA-N 1 1 215.340 3.224 20 30 BGEDMO C=CCC[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000649834395 398132685 /nfs/dbraw/zinc/13/26/85/398132685.db2.gz KLPOSAAUYKBIMZ-ZDUSSCGKSA-N 1 1 215.340 3.224 20 30 BGEDMO C=CCCCC[N@H+](C)Cc1ccc(C)cn1 ZINC000649904417 398176844 /nfs/dbraw/zinc/17/68/44/398176844.db2.gz XGHMJMLEXMATLY-UHFFFAOYSA-N 1 1 218.344 3.178 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907311 398179749 /nfs/dbraw/zinc/17/97/49/398179749.db2.gz OGPXQEXSMHOZHU-NEPJUHHUSA-N 1 1 229.314 3.462 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907312 398179197 /nfs/dbraw/zinc/17/91/97/398179197.db2.gz OGPXQEXSMHOZHU-NWDGAFQWSA-N 1 1 229.314 3.462 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907313 398179433 /nfs/dbraw/zinc/17/94/33/398179433.db2.gz OGPXQEXSMHOZHU-RYUDHWBXSA-N 1 1 229.314 3.462 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907314 398179284 /nfs/dbraw/zinc/17/92/84/398179284.db2.gz OGPXQEXSMHOZHU-VXGBXAGGSA-N 1 1 229.314 3.462 20 30 BGEDMO C=CCCCC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907817 398179661 /nfs/dbraw/zinc/17/96/61/398179661.db2.gz AHCSPHXNSYHQIU-LLVKDONJSA-N 1 1 215.287 3.074 20 30 BGEDMO 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C=CCCCC[N@@H+]1CC[C@@H](OCC)[C@@H](C)C1 ZINC000649992175 398210940 /nfs/dbraw/zinc/21/09/40/398210940.db2.gz YPZOGJNQAHMEJN-UONOGXRCSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCCC[N@@H+]1CC[C@@H](OCC)[C@H](C)C1 ZINC000649992176 398211151 /nfs/dbraw/zinc/21/11/51/398211151.db2.gz YPZOGJNQAHMEJN-ZIAGYGMSSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[N@H+]1CCc2cccc(OC)c2C1 ZINC000650107918 397927868 /nfs/dbraw/zinc/92/78/68/397927868.db2.gz WQSSKCVGABACKA-UHFFFAOYSA-N 1 1 231.339 3.020 20 30 BGEDMO C=C(CC)C[N@H+]1CCc2cccc(OC)c2C1 ZINC000650109536 397932244 /nfs/dbraw/zinc/93/22/44/397932244.db2.gz GBHRQUWPELWFDG-UHFFFAOYSA-N 1 1 231.339 3.020 20 30 BGEDMO C=C(C)CC[N@H+]1CCc2cccc(OC)c2C1 ZINC000650109812 397932340 /nfs/dbraw/zinc/93/23/40/397932340.db2.gz OGFQXWQFHQXPSO-UHFFFAOYSA-N 1 1 231.339 3.020 20 30 BGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000650264094 398018686 /nfs/dbraw/zinc/01/86/86/398018686.db2.gz AFQUWCJLJZHVET-KBPBESRZSA-N 1 1 237.412 3.007 20 30 BGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000650264095 398018832 /nfs/dbraw/zinc/01/88/32/398018832.db2.gz AFQUWCJLJZHVET-KGLIPLIRSA-N 1 1 237.412 3.007 20 30 BGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000650264096 398018727 /nfs/dbraw/zinc/01/87/27/398018727.db2.gz AFQUWCJLJZHVET-UONOGXRCSA-N 1 1 237.412 3.007 20 30 BGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000650264097 398018809 /nfs/dbraw/zinc/01/88/09/398018809.db2.gz AFQUWCJLJZHVET-ZIAGYGMSSA-N 1 1 237.412 3.007 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1cc2cnccc2o1 ZINC000651606485 411129165 /nfs/dbraw/zinc/12/91/65/411129165.db2.gz MPDLDVXCWIZRQU-UHFFFAOYSA-N 1 1 230.311 3.226 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cc2cnccc2o1 ZINC000651642915 487809642 /nfs/dbraw/zinc/80/96/42/487809642.db2.gz KRYIMGVTHAXTLR-UHFFFAOYSA-N 1 1 230.311 3.226 20 30 BGEDMO C=C[C@@H](C)NCc1[nH+]c(C(C)C)n2ccccc12 ZINC000651733429 411139630 /nfs/dbraw/zinc/13/96/30/411139630.db2.gz HKNMKJOGMZEHLG-GFCCVEGCSA-N 1 1 243.354 3.122 20 30 BGEDMO C=C[C@H](C)NCc1[nH+]c(C(C)C)n2ccccc12 ZINC000651733430 411139713 /nfs/dbraw/zinc/13/97/13/411139713.db2.gz HKNMKJOGMZEHLG-LBPRGKRZSA-N 1 1 243.354 3.122 20 30 BGEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000651738636 411140408 /nfs/dbraw/zinc/14/04/08/411140408.db2.gz SJEHWZQKOYHYKM-BNOWGMLFSA-N 1 1 245.370 3.122 20 30 BGEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000651738637 411140335 /nfs/dbraw/zinc/14/03/35/411140335.db2.gz SJEHWZQKOYHYKM-KWCYVHTRSA-N 1 1 245.370 3.122 20 30 BGEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000651738638 411140309 /nfs/dbraw/zinc/14/03/09/411140309.db2.gz SJEHWZQKOYHYKM-MRVWCRGKSA-N 1 1 245.370 3.122 20 30 BGEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000651738639 411140473 /nfs/dbraw/zinc/14/04/73/411140473.db2.gz SJEHWZQKOYHYKM-XBFCOCLRSA-N 1 1 245.370 3.122 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc2cnccc2o1 ZINC000651788160 411143887 /nfs/dbraw/zinc/14/38/87/411143887.db2.gz 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AMTKNQSDLHMUSS-NXEZZACHSA-N 1 1 215.287 3.119 20 30 BGEDMO C=CC[C@H]1CC[C@H]([NH2+]C2(C(F)F)CC2)C1 ZINC000652196699 490170363 /nfs/dbraw/zinc/17/03/63/490170363.db2.gz AMTKNQSDLHMUSS-UWVGGRQHSA-N 1 1 215.287 3.119 20 30 BGEDMO C=CC[C@H]1CC[C@@H]([NH2+]C2(C(F)F)CC2)C1 ZINC000652196700 490170138 /nfs/dbraw/zinc/17/01/38/490170138.db2.gz AMTKNQSDLHMUSS-VHSXEESVSA-N 1 1 215.287 3.119 20 30 BGEDMO C=CC[C@@H]1CC[C@H]([NH2+]C2(C(F)F)CC2)C1 ZINC000652196701 490170392 /nfs/dbraw/zinc/17/03/92/490170392.db2.gz AMTKNQSDLHMUSS-ZJUUUORDSA-N 1 1 215.287 3.119 20 30 BGEDMO C=C(C)C[N@@H+](CC)CCc1noc2ccccc21 ZINC000653488993 487914913 /nfs/dbraw/zinc/91/49/13/487914913.db2.gz ZDXQPXSAWSRPMY-UHFFFAOYSA-N 1 1 244.338 3.268 20 30 BGEDMO C=CCCC[N@H+](C)CCc1noc2ccccc21 ZINC000653558268 487964508 /nfs/dbraw/zinc/96/45/08/487964508.db2.gz ZXABVQGBTNALKS-UHFFFAOYSA-N 1 1 244.338 3.268 20 30 BGEDMO C=CC[N@@H+](CCc1noc2ccccc21)C1CC1 ZINC000653596873 411429744 /nfs/dbraw/zinc/42/97/44/411429744.db2.gz RBSSJOONMGDNRR-UHFFFAOYSA-N 1 1 242.322 3.021 20 30 BGEDMO C=C(C)C[N@@H+](C)CCCc1c(F)cccc1F ZINC000653609411 411438450 /nfs/dbraw/zinc/43/84/50/411438450.db2.gz LXUOBUYNXAWAKW-UHFFFAOYSA-N 1 1 239.309 3.405 20 30 BGEDMO C=CC[N@H+](C)Cc1cc(C(C)C)ccc1OC ZINC000653623789 487991616 /nfs/dbraw/zinc/99/16/16/487991616.db2.gz NZDFOIQGNNFEOG-UHFFFAOYSA-N 1 1 233.355 3.436 20 30 BGEDMO C=CC[N@@H+](C)CCCc1c(F)cccc1F ZINC000653624029 411449514 /nfs/dbraw/zinc/44/95/14/411449514.db2.gz SWZPOFUZEGXDRI-UHFFFAOYSA-N 1 1 225.282 3.015 20 30 BGEDMO C=CCC[N@@H+](C)CCCc1c(F)cccc1F ZINC000653635999 411153739 /nfs/dbraw/zinc/15/37/39/411153739.db2.gz MOMNIKPLXKTHRK-UHFFFAOYSA-N 1 1 239.309 3.405 20 30 BGEDMO C=C(C)CC[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000653749528 411320248 /nfs/dbraw/zinc/32/02/48/411320248.db2.gz IHIAZIVRKVODBV-AWEZNQCLSA-N 1 1 230.355 3.146 20 30 BGEDMO C=C(C)CC[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000653749529 411320228 /nfs/dbraw/zinc/32/02/28/411320228.db2.gz IHIAZIVRKVODBV-CQSZACIVSA-N 1 1 230.355 3.146 20 30 BGEDMO C=CCC[C@H](C)[NH+]1CCN(C(C)(C)CC)CC1 ZINC000653810689 411190814 /nfs/dbraw/zinc/19/08/14/411190814.db2.gz MZLMMTBPJSYFLF-AWEZNQCLSA-N 1 1 238.419 3.147 20 30 BGEDMO C=CCC[C@@H](C)[NH+]1CCN(C(C)(C)CC)CC1 ZINC000653810690 411189952 /nfs/dbraw/zinc/18/99/52/411189952.db2.gz MZLMMTBPJSYFLF-CQSZACIVSA-N 1 1 238.419 3.147 20 30 BGEDMO C=CCCCC[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653811438 411189639 /nfs/dbraw/zinc/18/96/39/411189639.db2.gz JVKRFRUGOGQFIS-HNNXBMFYSA-N 1 1 237.387 3.376 20 30 BGEDMO C=CCCCC[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653811439 411190712 /nfs/dbraw/zinc/19/07/12/411190712.db2.gz JVKRFRUGOGQFIS-OAHLLOKOSA-N 1 1 237.387 3.376 20 30 BGEDMO C=CCCCC[NH+]1CCN(C(C)(C)CC)CC1 ZINC000653811624 411189857 /nfs/dbraw/zinc/18/98/57/411189857.db2.gz REMNUQORASGVNW-UHFFFAOYSA-N 1 1 238.419 3.149 20 30 BGEDMO C=C(C)CC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653830727 411195869 /nfs/dbraw/zinc/19/58/69/411195869.db2.gz HGBXAJSBNKNTFJ-UHFFFAOYSA-N 1 1 223.266 3.247 20 30 BGEDMO C=CCCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653833692 411196408 /nfs/dbraw/zinc/19/64/08/411196408.db2.gz QYTHNPOTIZVPJQ-UHFFFAOYSA-N 1 1 223.266 3.247 20 30 BGEDMO C=C(C)C[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653911077 411222095 /nfs/dbraw/zinc/22/20/95/411222095.db2.gz ZGTLYTIULHQNKP-AWEZNQCLSA-N 1 1 242.322 3.124 20 30 BGEDMO C=C(C)C[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653911078 411222107 /nfs/dbraw/zinc/22/21/07/411222107.db2.gz ZGTLYTIULHQNKP-CQSZACIVSA-N 1 1 242.322 3.124 20 30 BGEDMO C=CCCCCC[NH2+][C@H](C)c1cn[nH]c1C ZINC000655807524 411521636 /nfs/dbraw/zinc/52/16/36/411521636.db2.gz OMBOPYKWDXQLGQ-LLVKDONJSA-N 1 1 221.348 3.115 20 30 BGEDMO C=CCCCCC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000655807525 411521675 /nfs/dbraw/zinc/52/16/75/411521675.db2.gz OMBOPYKWDXQLGQ-NSHDSACASA-N 1 1 221.348 3.115 20 30 BGEDMO C=CCCCCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000655825622 411527088 /nfs/dbraw/zinc/52/70/88/411527088.db2.gz KOWKPEKZDKXICX-UHFFFAOYSA-N 1 1 243.354 3.399 20 30 BGEDMO C=CCCCC[N@H+]1Cc2cccc(F)c2C1 ZINC000657192339 411416702 /nfs/dbraw/zinc/41/67/02/411416702.db2.gz QQZATZAIWTVLEV-UHFFFAOYSA-N 1 1 219.303 3.498 20 30 BGEDMO C=CCCC1(C[NH2+]Cc2ccn[nH]2)CCCC1 ZINC000657566923 411552999 /nfs/dbraw/zinc/55/29/99/411552999.db2.gz DTRFBMNFFBAQDU-UHFFFAOYSA-N 1 1 233.359 3.026 20 30 BGEDMO C=CCCC1(C[NH2+]Cc2n[nH]cc2C)CCCC1 ZINC000657567054 411553073 /nfs/dbraw/zinc/55/30/73/411553073.db2.gz HSKQOMRKDJTSHY-UHFFFAOYSA-N 1 1 247.386 3.334 20 30 BGEDMO C=CCCC1(C[NH2+]Cc2cn[nH]c2C)CCCC1 ZINC000657567832 411553211 /nfs/dbraw/zinc/55/32/11/411553211.db2.gz XYXGGZMVWVEPQJ-UHFFFAOYSA-N 1 1 247.386 3.334 20 30 BGEDMO C=CCCC(C)(C)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000657804650 411600099 /nfs/dbraw/zinc/60/00/99/411600099.db2.gz AOPQYHPLMYMFKG-UHFFFAOYSA-N 1 1 243.354 3.397 20 30 BGEDMO C=CCCC(C)(C)[NH2+]Cc1n[nH]c2ccccc21 ZINC000657804955 411600528 /nfs/dbraw/zinc/60/05/28/411600528.db2.gz IITDCISBGDILIU-UHFFFAOYSA-N 1 1 243.354 3.397 20 30 BGEDMO C=CCC[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000658113699 487545187 /nfs/dbraw/zinc/54/51/87/487545187.db2.gz INZSAUGIMLSHQA-CYBMUJFWSA-N 1 1 239.309 3.419 20 30 BGEDMO C=CCC[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000658113701 487544310 /nfs/dbraw/zinc/54/43/10/487544310.db2.gz INZSAUGIMLSHQA-ZDUSSCGKSA-N 1 1 239.309 3.419 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000659823933 411464052 /nfs/dbraw/zinc/46/40/52/411464052.db2.gz XGABYWNFDUTNMR-HNNXBMFYSA-N 1 1 245.366 3.242 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000659823935 411463786 /nfs/dbraw/zinc/46/37/86/411463786.db2.gz XGABYWNFDUTNMR-OAHLLOKOSA-N 1 1 245.366 3.242 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1cnc2ccccc2n1 ZINC000659828557 411466049 /nfs/dbraw/zinc/46/60/49/411466049.db2.gz FTXODBRGAUUJGO-UHFFFAOYSA-N 1 1 241.338 3.028 20 30 BGEDMO C=C(C)C[N@@H+](CC)CCOCc1ccccc1 ZINC000659829606 411467188 /nfs/dbraw/zinc/46/71/88/411467188.db2.gz SMUCYTCHVIMBTK-UHFFFAOYSA-N 1 1 233.355 3.101 20 30 BGEDMO C=C(C)C[N@@H+](CC)C[C@H](OC)C1CCCC1 ZINC000659829856 411466895 /nfs/dbraw/zinc/46/68/95/411466895.db2.gz WKKQCDYQMBMVQG-AWEZNQCLSA-N 1 1 225.376 3.090 20 30 BGEDMO C=C(C)C[N@@H+](CC)C[C@@H](OC)C1CCCC1 ZINC000659829857 411466083 /nfs/dbraw/zinc/46/60/83/411466083.db2.gz WKKQCDYQMBMVQG-CQSZACIVSA-N 1 1 225.376 3.090 20 30 BGEDMO C=C1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000659910506 411495801 /nfs/dbraw/zinc/49/58/01/411495801.db2.gz LMDOBLHDSXXPJP-UHFFFAOYSA-N 1 1 244.363 3.448 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cnc2ccccc2n1 ZINC000659941255 411504950 /nfs/dbraw/zinc/50/49/50/411504950.db2.gz LMNQKVUWOFGBGK-UHFFFAOYSA-N 1 1 241.338 3.028 20 30 BGEDMO C=CCCC[N@H+](C)C[C@H](OC)C1CCCC1 ZINC000659941332 411504307 /nfs/dbraw/zinc/50/43/07/411504307.db2.gz NFRDYVJTFOJGRE-AWEZNQCLSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[N@H+](C)C[C@@H](OC)C1CCCC1 ZINC000659941333 411503996 /nfs/dbraw/zinc/50/39/96/411503996.db2.gz NFRDYVJTFOJGRE-CQSZACIVSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCCCC[N@H+](C)Cc1cc(C)nc(C)n1 ZINC000659946143 411507261 /nfs/dbraw/zinc/50/72/61/411507261.db2.gz FONRYPQBWNRDBJ-UHFFFAOYSA-N 1 1 247.386 3.272 20 30 BGEDMO C=CCCCCC[N@H+](C)Cc1nc(C)oc1C ZINC000659946509 411389292 /nfs/dbraw/zinc/38/92/92/411389292.db2.gz GTKGNZHDICWUQV-UHFFFAOYSA-N 1 1 236.359 3.470 20 30 BGEDMO C=CCCCCC[N@@H+](C)Cc1nc(C)oc1C ZINC000659946509 411389290 /nfs/dbraw/zinc/38/92/90/411389290.db2.gz GTKGNZHDICWUQV-UHFFFAOYSA-N 1 1 236.359 3.470 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@H]1COC(C)(C)C1 ZINC000659946614 411389308 /nfs/dbraw/zinc/38/93/08/411389308.db2.gz HDAMJVQHEONCKE-CYBMUJFWSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@@H]1COC(C)(C)C1 ZINC000659946617 411389990 /nfs/dbraw/zinc/38/99/90/411389990.db2.gz HDAMJVQHEONCKE-ZDUSSCGKSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCCCC[N@H+](C)CCO[C@@H]1CC1(F)F ZINC000659946727 411507041 /nfs/dbraw/zinc/50/70/41/411507041.db2.gz IPBUTOXHWIVRLC-GFCCVEGCSA-N 1 1 247.329 3.089 20 30 BGEDMO C=CCCCCC[N@H+](C)CCO[C@H]1CC1(F)F ZINC000659946729 411506611 /nfs/dbraw/zinc/50/66/11/411506611.db2.gz IPBUTOXHWIVRLC-LBPRGKRZSA-N 1 1 247.329 3.089 20 30 BGEDMO C=CCCCCC[N@H+](C)Cc1coc(C)n1 ZINC000659947274 488024220 /nfs/dbraw/zinc/02/42/20/488024220.db2.gz MJKFCMTYPGFXMD-UHFFFAOYSA-N 1 1 222.332 3.161 20 30 BGEDMO C=CCCCCC[N@@H+](C)Cc1coc(C)n1 ZINC000659947274 488024214 /nfs/dbraw/zinc/02/42/14/488024214.db2.gz MJKFCMTYPGFXMD-UHFFFAOYSA-N 1 1 222.332 3.161 20 30 BGEDMO C=CC[N@H+](C[C@@H](CC)CC(F)F)C1CC1 ZINC000660169513 411277522 /nfs/dbraw/zinc/27/75/22/411277522.db2.gz JWQFFQXZOVJPJG-JTQLQIEISA-N 1 1 217.303 3.318 20 30 BGEDMO C=CC[N@H+](C[C@H](CC)CC(F)F)C1CC1 ZINC000660169514 411277357 /nfs/dbraw/zinc/27/73/57/411277357.db2.gz JWQFFQXZOVJPJG-SNVBAGLBSA-N 1 1 217.303 3.318 20 30 BGEDMO C=CC[N@@H+](Cc1nsc2ccccc21)C1CC1 ZINC000660170443 411551236 /nfs/dbraw/zinc/55/12/36/411551236.db2.gz RHIVYCYWBYMMMZ-UHFFFAOYSA-N 1 1 244.363 3.447 20 30 BGEDMO C=CC[N@H+](Cc1nsc2ccccc21)C1CC1 ZINC000660170443 411551235 /nfs/dbraw/zinc/55/12/35/411551235.db2.gz RHIVYCYWBYMMMZ-UHFFFAOYSA-N 1 1 244.363 3.447 20 30 BGEDMO C=CC[N@@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000660170474 411551413 /nfs/dbraw/zinc/55/14/13/411551413.db2.gz RKRMDBMNVVBOLI-FRRDWIJNSA-N 1 1 205.345 3.073 20 30 BGEDMO C=CC[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000660170477 411551261 /nfs/dbraw/zinc/55/12/61/411551261.db2.gz RKRMDBMNVVBOLI-UPJWGTAASA-N 1 1 205.345 3.073 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cccc(SC)c1 ZINC000660220524 411554949 /nfs/dbraw/zinc/55/49/49/411554949.db2.gz JOGZSHWXLNKJMY-UHFFFAOYSA-N 1 1 221.369 3.416 20 30 BGEDMO C=C(C)C[N@H+](C)C[C@@H](CC)CC(F)F ZINC000660221044 411555494 /nfs/dbraw/zinc/55/54/94/411555494.db2.gz LOWNZDHJORJSQA-JTQLQIEISA-N 1 1 205.292 3.176 20 30 BGEDMO C=C(C)C[N@H+](C)C[C@H](CC)CC(F)F ZINC000660221046 411555400 /nfs/dbraw/zinc/55/54/00/411555400.db2.gz LOWNZDHJORJSQA-SNVBAGLBSA-N 1 1 205.292 3.176 20 30 BGEDMO C=C(C)C[N@@H+](C)CCc1nsc2ccccc21 ZINC000660221324 411555459 /nfs/dbraw/zinc/55/54/59/411555459.db2.gz ODHXSMCZCHCUME-UHFFFAOYSA-N 1 1 246.379 3.347 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cccc(OC)c1Cl ZINC000660221394 411556309 /nfs/dbraw/zinc/55/63/09/411556309.db2.gz OSAWUAVMJXIGQS-UHFFFAOYSA-N 1 1 239.746 3.357 20 30 BGEDMO C=C(C)C[N@@H+](C)Cc1cccc(OC)c1Cl ZINC000660221394 411556308 /nfs/dbraw/zinc/55/63/08/411556308.db2.gz OSAWUAVMJXIGQS-UHFFFAOYSA-N 1 1 239.746 3.357 20 30 BGEDMO C=C(C)C[N@H+](C)C[C@H](OC)C1CCCCC1 ZINC000660222479 411556280 /nfs/dbraw/zinc/55/62/80/411556280.db2.gz VWHOJTUKLONMSI-AWEZNQCLSA-N 1 1 225.376 3.090 20 30 BGEDMO C=C(C)C[N@H+](C)C[C@@H](OC)C1CCCCC1 ZINC000660222481 411555797 /nfs/dbraw/zinc/55/57/97/411555797.db2.gz VWHOJTUKLONMSI-CQSZACIVSA-N 1 1 225.376 3.090 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1nsc2ccccc21 ZINC000660223143 411300109 /nfs/dbraw/zinc/30/01/09/411300109.db2.gz ZARFVZKGPAZHDL-UHFFFAOYSA-N 1 1 232.352 3.304 20 30 BGEDMO C=C(C)C[N@@H+](C)Cc1nsc2ccccc21 ZINC000660223143 411300106 /nfs/dbraw/zinc/30/01/06/411300106.db2.gz ZARFVZKGPAZHDL-UHFFFAOYSA-N 1 1 232.352 3.304 20 30 BGEDMO C=CC[N@@H+](CCc1ccco1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660224462 411555764 /nfs/dbraw/zinc/55/57/64/411555764.db2.gz JPPTWUUTEIPSSQ-QDMKHBRRSA-N 1 1 245.366 3.356 20 30 BGEDMO C=CC[N@@H+](CCc1ccco1)CC1CC=CC1 ZINC000660226404 411556108 /nfs/dbraw/zinc/55/61/08/411556108.db2.gz WQQWVGMROVQAHT-UHFFFAOYSA-N 1 1 231.339 3.276 20 30 BGEDMO C=CC[N@@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000660327844 411569691 /nfs/dbraw/zinc/56/96/91/411569691.db2.gz FIKAOBRZVNMCKY-AWEZNQCLSA-N 1 1 215.340 3.224 20 30 BGEDMO C=CC[N@@H+](C)CC[C@H]1CCc2ccccc21 ZINC000660327845 411569310 /nfs/dbraw/zinc/56/93/10/411569310.db2.gz FIKAOBRZVNMCKY-CQSZACIVSA-N 1 1 215.340 3.224 20 30 BGEDMO C=CC[N@@H+](C)CCSc1ccc(F)cc1F ZINC000660327921 411569625 /nfs/dbraw/zinc/56/96/25/411569625.db2.gz GCMFJXYOZBRVGV-UHFFFAOYSA-N 1 1 243.322 3.175 20 30 BGEDMO C=CC[N@H+](C)Cc1cccc(F)c1OC(F)F ZINC000660328709 411569675 /nfs/dbraw/zinc/56/96/75/411569675.db2.gz NPPNQCDVOYCQPT-UHFFFAOYSA-N 1 1 245.244 3.045 20 30 BGEDMO C=CC[N@@H+](C)Cc1cccc(F)c1OC(F)F ZINC000660328709 411569674 /nfs/dbraw/zinc/56/96/74/411569674.db2.gz NPPNQCDVOYCQPT-UHFFFAOYSA-N 1 1 245.244 3.045 20 30 BGEDMO C=CC[N@H+](C)Cc1cccc(SC)c1 ZINC000660329196 411569781 /nfs/dbraw/zinc/56/97/81/411569781.db2.gz UJGMKLPQDNCLPY-UHFFFAOYSA-N 1 1 207.342 3.026 20 30 BGEDMO C=CC[N@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000660329542 411417806 /nfs/dbraw/zinc/41/78/06/411417806.db2.gz XEQBSFOBQVSLIZ-UHFFFAOYSA-N 1 1 245.244 3.045 20 30 BGEDMO C=CC[N@@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000660329542 411417805 /nfs/dbraw/zinc/41/78/05/411417805.db2.gz XEQBSFOBQVSLIZ-UHFFFAOYSA-N 1 1 245.244 3.045 20 30 BGEDMO C=CCC[N@H+](C)C[C@H](OC)C1CCCCC1 ZINC000660397995 411579435 /nfs/dbraw/zinc/57/94/35/411579435.db2.gz BXMDUPSWTYJMKG-AWEZNQCLSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCC[N@H+](C)C[C@@H](OC)C1CCCCC1 ZINC000660397996 411579172 /nfs/dbraw/zinc/57/91/72/411579172.db2.gz BXMDUPSWTYJMKG-CQSZACIVSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCC[N@H+](C)CCc1nsc2ccccc21 ZINC000660398439 411579398 /nfs/dbraw/zinc/57/93/98/411579398.db2.gz FOILRAKWKXFRKH-UHFFFAOYSA-N 1 1 246.379 3.347 20 30 BGEDMO C=CCC[N@H+](C)C[C@@H](CC)CC(F)F ZINC000660399306 411578940 /nfs/dbraw/zinc/57/89/40/411578940.db2.gz KMHVZCSBVLFQIW-JTQLQIEISA-N 1 1 205.292 3.176 20 30 BGEDMO C=CCC[N@H+](C)C[C@H](CC)CC(F)F ZINC000660399307 411578974 /nfs/dbraw/zinc/57/89/74/411578974.db2.gz KMHVZCSBVLFQIW-SNVBAGLBSA-N 1 1 205.292 3.176 20 30 BGEDMO C=CCC[N@H+](C)Cc1nsc2ccccc21 ZINC000660401640 411580011 /nfs/dbraw/zinc/58/00/11/411580011.db2.gz RSEZFUHQEJPBHR-UHFFFAOYSA-N 1 1 232.352 3.304 20 30 BGEDMO C=CCC[N@H+](C)Cc1cccc(SC)c1 ZINC000660401649 411580082 /nfs/dbraw/zinc/58/00/82/411580082.db2.gz RWRCLYMRWQNXOG-UHFFFAOYSA-N 1 1 221.369 3.416 20 30 BGEDMO C=CCC[N@H+](C)Cc1cccc(OC)c1Cl ZINC000660403365 411579711 /nfs/dbraw/zinc/57/97/11/411579711.db2.gz YBAZFDNHZAVBOK-UHFFFAOYSA-N 1 1 239.746 3.357 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000660428292 411583940 /nfs/dbraw/zinc/58/39/40/411583940.db2.gz CCXQGYDUDSRLSO-GFCCVEGCSA-N 1 1 232.327 3.093 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000660428292 411583938 /nfs/dbraw/zinc/58/39/38/411583938.db2.gz CCXQGYDUDSRLSO-GFCCVEGCSA-N 1 1 232.327 3.093 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000660428293 411583469 /nfs/dbraw/zinc/58/34/69/411583469.db2.gz CCXQGYDUDSRLSO-LBPRGKRZSA-N 1 1 232.327 3.093 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000660428293 411583468 /nfs/dbraw/zinc/58/34/68/411583468.db2.gz CCXQGYDUDSRLSO-LBPRGKRZSA-N 1 1 232.327 3.093 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660428964 411583924 /nfs/dbraw/zinc/58/39/24/411583924.db2.gz IKDNHAHLWRKAEN-CRWXNKLISA-N 1 1 205.345 3.073 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660428968 411583889 /nfs/dbraw/zinc/58/38/89/411583889.db2.gz IKDNHAHLWRKAEN-XJFOESAGSA-N 1 1 205.345 3.073 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1CCOCc1ccccc1 ZINC000660430719 411583301 /nfs/dbraw/zinc/58/33/01/411583301.db2.gz WVJOABWFZUTSSB-INIZCTEOSA-N 1 1 245.366 3.244 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1CCOCc1ccccc1 ZINC000660430722 411583677 /nfs/dbraw/zinc/58/36/77/411583677.db2.gz WVJOABWFZUTSSB-MRXNPFEDSA-N 1 1 245.366 3.244 20 30 BGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660625987 411609055 /nfs/dbraw/zinc/60/90/55/411609055.db2.gz FRHCPUDCGYCVJV-CABCVRRESA-N 1 1 242.366 3.063 20 30 BGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660625988 411609072 /nfs/dbraw/zinc/60/90/72/411609072.db2.gz FRHCPUDCGYCVJV-GJZGRUSLSA-N 1 1 242.366 3.063 20 30 BGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625989 411608827 /nfs/dbraw/zinc/60/88/27/411608827.db2.gz FRHCPUDCGYCVJV-HUUCEWRRSA-N 1 1 242.366 3.063 20 30 BGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625990 411608675 /nfs/dbraw/zinc/60/86/75/411608675.db2.gz FRHCPUDCGYCVJV-LSDHHAIUSA-N 1 1 242.366 3.063 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660626772 411608941 /nfs/dbraw/zinc/60/89/41/411608941.db2.gz LYAVLRMLDCMFSW-AWEZNQCLSA-N 1 1 230.355 3.227 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660626773 411608928 /nfs/dbraw/zinc/60/89/28/411608928.db2.gz LYAVLRMLDCMFSW-CQSZACIVSA-N 1 1 230.355 3.227 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660627307 411609619 /nfs/dbraw/zinc/60/96/19/411609619.db2.gz RPUPCVIZDAVFFJ-AWEZNQCLSA-N 1 1 230.355 3.227 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660627309 411609827 /nfs/dbraw/zinc/60/98/27/411609827.db2.gz RPUPCVIZDAVFFJ-CQSZACIVSA-N 1 1 230.355 3.227 20 30 BGEDMO C=CCCC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660631644 411609960 /nfs/dbraw/zinc/60/99/60/411609960.db2.gz QBBRSIGLJPUWBG-AWEZNQCLSA-N 1 1 230.355 3.227 20 30 BGEDMO C=CCCC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660631646 411609711 /nfs/dbraw/zinc/60/97/11/411609711.db2.gz QBBRSIGLJPUWBG-CQSZACIVSA-N 1 1 230.355 3.227 20 30 BGEDMO C=CC[N@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660710094 411618395 /nfs/dbraw/zinc/61/83/95/411618395.db2.gz OQGBWNWEYGYDEC-SECBINFHSA-N 1 1 249.745 3.395 20 30 BGEDMO C=CC[N@@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660710094 411618394 /nfs/dbraw/zinc/61/83/94/411618394.db2.gz OQGBWNWEYGYDEC-SECBINFHSA-N 1 1 249.745 3.395 20 30 BGEDMO C=CCN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710094 411618393 /nfs/dbraw/zinc/61/83/93/411618393.db2.gz OQGBWNWEYGYDEC-SECBINFHSA-N 1 1 249.745 3.395 20 30 BGEDMO C=CC[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660710103 411618364 /nfs/dbraw/zinc/61/83/64/411618364.db2.gz OQGBWNWEYGYDEC-VIFPVBQESA-N 1 1 249.745 3.395 20 30 BGEDMO C=CC[N@@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660710103 411618363 /nfs/dbraw/zinc/61/83/63/411618363.db2.gz OQGBWNWEYGYDEC-VIFPVBQESA-N 1 1 249.745 3.395 20 30 BGEDMO C=CCN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710103 411618362 /nfs/dbraw/zinc/61/83/62/411618362.db2.gz OQGBWNWEYGYDEC-VIFPVBQESA-N 1 1 249.745 3.395 20 30 BGEDMO C=CCCCCC[N@@H+](C1CC1)C1(CO)CCC1 ZINC000660772335 411624557 /nfs/dbraw/zinc/62/45/57/411624557.db2.gz YKUHDTPABOEGFL-UHFFFAOYSA-N 1 1 237.387 3.112 20 30 BGEDMO C=CCCCCCN1CCC[N@H+](CC)C[C@@H]1C ZINC000660788077 411632920 /nfs/dbraw/zinc/63/29/20/411632920.db2.gz VSIMHKSAOJTAJC-HNNXBMFYSA-N 1 1 238.419 3.149 20 30 BGEDMO C=CCCCCCN1CCC[N@@H+](CC)C[C@@H]1C ZINC000660788077 411632917 /nfs/dbraw/zinc/63/29/17/411632917.db2.gz VSIMHKSAOJTAJC-HNNXBMFYSA-N 1 1 238.419 3.149 20 30 BGEDMO C=CCCCCC[N@@H+]1CCCN(CC)C[C@@H]1C ZINC000660788077 411632912 /nfs/dbraw/zinc/63/29/12/411632912.db2.gz VSIMHKSAOJTAJC-HNNXBMFYSA-N 1 1 238.419 3.149 20 30 BGEDMO C=CCCCCCN1CCC[N@H+](CC)C[C@H]1C ZINC000660788078 411633264 /nfs/dbraw/zinc/63/32/64/411633264.db2.gz VSIMHKSAOJTAJC-OAHLLOKOSA-N 1 1 238.419 3.149 20 30 BGEDMO C=CCCCCCN1CCC[N@@H+](CC)C[C@H]1C ZINC000660788078 411633261 /nfs/dbraw/zinc/63/32/61/411633261.db2.gz VSIMHKSAOJTAJC-OAHLLOKOSA-N 1 1 238.419 3.149 20 30 BGEDMO C=CCCCCC[N@@H+]1CCCN(CC)C[C@H]1C ZINC000660788078 411633254 /nfs/dbraw/zinc/63/32/54/411633254.db2.gz VSIMHKSAOJTAJC-OAHLLOKOSA-N 1 1 238.419 3.149 20 30 BGEDMO Fc1ccc(C#CC[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000660933219 411684673 /nfs/dbraw/zinc/68/46/73/411684673.db2.gz LJGKEKMQZLOCSJ-HOCLYGCPSA-N 1 1 243.325 3.052 20 30 BGEDMO CC[C@H](C)[N@@H+](CC)CC#Cc1ccccc1 ZINC000661104046 410225776 /nfs/dbraw/zinc/22/57/76/410225776.db2.gz JMRFLXXKUKNSPE-AWEZNQCLSA-N 1 1 215.340 3.159 20 30 BGEDMO CC[C@@H](C)[N@@H+](CC)CC#Cc1ccccc1 ZINC000661104047 410223673 /nfs/dbraw/zinc/22/36/73/410223673.db2.gz JMRFLXXKUKNSPE-CQSZACIVSA-N 1 1 215.340 3.159 20 30 BGEDMO CC[C@@H](C)[N@@H+](CC)CC#Cc1ccc(F)cc1 ZINC000661108779 411712712 /nfs/dbraw/zinc/71/27/12/411712712.db2.gz UXRHRUQZXWCUMG-CYBMUJFWSA-N 1 1 233.330 3.298 20 30 BGEDMO CC[C@H](C)[N@@H+](CC)CC#Cc1ccc(F)cc1 ZINC000661108781 411713077 /nfs/dbraw/zinc/71/30/77/411713077.db2.gz UXRHRUQZXWCUMG-ZDUSSCGKSA-N 1 1 233.330 3.298 20 30 BGEDMO C=CCC[N@H+](C)Cc1cccc2ncccc12 ZINC000661131219 411715007 /nfs/dbraw/zinc/71/50/07/411715007.db2.gz MZEBEDPYZYPTQP-UHFFFAOYSA-N 1 1 226.323 3.243 20 30 BGEDMO CC#CC[N@@H+](Cc1ccsc1)C(C)(C)C ZINC000661137112 411716708 /nfs/dbraw/zinc/71/67/08/411716708.db2.gz ZSNHJOJVOCREII-UHFFFAOYSA-N 1 1 221.369 3.372 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cccc2ncccc12 ZINC000661137233 411717406 /nfs/dbraw/zinc/71/74/06/411717406.db2.gz OUMCJCUXQDJUCZ-UHFFFAOYSA-N 1 1 226.323 3.243 20 30 BGEDMO C=CC[N@H+](C[C@@H](CC)CC(F)F)[C@H](C)COC ZINC000661238524 411739207 /nfs/dbraw/zinc/73/92/07/411739207.db2.gz DHUZGDIOUDNDHR-NEPJUHHUSA-N 1 1 249.345 3.191 20 30 BGEDMO C=CC[N@H+](C[C@H](CC)CC(F)F)[C@@H](C)COC ZINC000661238525 411739744 /nfs/dbraw/zinc/73/97/44/411739744.db2.gz DHUZGDIOUDNDHR-NWDGAFQWSA-N 1 1 249.345 3.191 20 30 BGEDMO C=CC[N@H+](C[C@@H](CC)CC(F)F)[C@@H](C)COC ZINC000661238527 411739266 /nfs/dbraw/zinc/73/92/66/411739266.db2.gz DHUZGDIOUDNDHR-RYUDHWBXSA-N 1 1 249.345 3.191 20 30 BGEDMO C=CC[N@H+](C[C@H](CC)CC(F)F)[C@H](C)COC ZINC000661238529 411739580 /nfs/dbraw/zinc/73/95/80/411739580.db2.gz DHUZGDIOUDNDHR-VXGBXAGGSA-N 1 1 249.345 3.191 20 30 BGEDMO C=CC[N@H+](CCCc1ccccc1)[C@@H](C)COC ZINC000661243364 411743423 /nfs/dbraw/zinc/74/34/23/411743423.db2.gz JUCKSKOBZHRFCT-HNNXBMFYSA-N 1 1 247.382 3.142 20 30 BGEDMO C=CC[N@H+](CCCc1ccccc1)[C@H](C)COC ZINC000661243366 411743427 /nfs/dbraw/zinc/74/34/27/411743427.db2.gz JUCKSKOBZHRFCT-OAHLLOKOSA-N 1 1 247.382 3.142 20 30 BGEDMO C=CC[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)COC ZINC000661243800 411743859 /nfs/dbraw/zinc/74/38/59/411743859.db2.gz NPVBQCSLCWMPLA-CABCVRRESA-N 1 1 247.382 3.313 20 30 BGEDMO C=CC[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)COC ZINC000661243801 411743317 /nfs/dbraw/zinc/74/33/17/411743317.db2.gz NPVBQCSLCWMPLA-GJZGRUSLSA-N 1 1 247.382 3.313 20 30 BGEDMO C=CC[N@@H+](C[C@@H](C)c1ccccc1)[C@H](C)COC ZINC000661243802 411743333 /nfs/dbraw/zinc/74/33/33/411743333.db2.gz NPVBQCSLCWMPLA-HUUCEWRRSA-N 1 1 247.382 3.313 20 30 BGEDMO C=CC[N@@H+](C[C@H](C)c1ccccc1)[C@H](C)COC ZINC000661243803 411742655 /nfs/dbraw/zinc/74/26/55/411742655.db2.gz NPVBQCSLCWMPLA-LSDHHAIUSA-N 1 1 247.382 3.313 20 30 BGEDMO C=CC[N@@H+](C/C=C/c1ccccc1)[C@H](C)COC ZINC000661245857 411743507 /nfs/dbraw/zinc/74/35/07/411743507.db2.gz DFXTVZAHKCYONS-KUCQQTCKSA-N 1 1 245.366 3.223 20 30 BGEDMO C=CC[N@@H+](C/C=C\c1ccccc1)[C@H](C)COC ZINC000661245859 411742926 /nfs/dbraw/zinc/74/29/26/411742926.db2.gz DFXTVZAHKCYONS-MEODZPNASA-N 1 1 245.366 3.223 20 30 BGEDMO C=CC[N@@H+](C/C=C\c1ccccc1)[C@@H](C)COC ZINC000661245862 411743202 /nfs/dbraw/zinc/74/32/02/411743202.db2.gz DFXTVZAHKCYONS-QIENPNARSA-N 1 1 245.366 3.223 20 30 BGEDMO C=CC[N@@H+](C/C=C/c1ccccc1)[C@@H](C)COC ZINC000661245863 411743305 /nfs/dbraw/zinc/74/33/05/411743305.db2.gz DFXTVZAHKCYONS-SHQCLWGWSA-N 1 1 245.366 3.223 20 30 BGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cnc(C)s2)C1 ZINC000661378228 411760036 /nfs/dbraw/zinc/76/00/36/411760036.db2.gz AUGQIYMAHSKYTJ-GFCCVEGCSA-N 1 1 236.384 3.240 20 30 BGEDMO C=CC[C@H]1CCC[N@H+](Cc2cnc(C)s2)C1 ZINC000661378229 411760014 /nfs/dbraw/zinc/76/00/14/411760014.db2.gz AUGQIYMAHSKYTJ-LBPRGKRZSA-N 1 1 236.384 3.240 20 30 BGEDMO C=CC[C@@H]1CCC[N@H+](Cc2csc(C)n2)C1 ZINC000661378320 410594041 /nfs/dbraw/zinc/59/40/41/410594041.db2.gz CPMXZTFFYWPYJF-GFCCVEGCSA-N 1 1 236.384 3.240 20 30 BGEDMO C=CC[C@H]1CCC[N@H+](Cc2csc(C)n2)C1 ZINC000661378321 410594535 /nfs/dbraw/zinc/59/45/35/410594535.db2.gz CPMXZTFFYWPYJF-LBPRGKRZSA-N 1 1 236.384 3.240 20 30 BGEDMO C=CC[C@@H]1CCC[N@H+](CCOC(C)(C)C)C1 ZINC000661378540 411760687 /nfs/dbraw/zinc/76/06/87/411760687.db2.gz IOPSAMWAMOGBJU-CYBMUJFWSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CC[C@H]1CCC[N@H+](CCOC(C)(C)C)C1 ZINC000661378541 411760495 /nfs/dbraw/zinc/76/04/95/411760495.db2.gz IOPSAMWAMOGBJU-ZDUSSCGKSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CC[C@H]1CCC[N@H+](CCCOC(C)C)C1 ZINC000661379335 410594114 /nfs/dbraw/zinc/59/41/14/410594114.db2.gz BTDHEZKODWVZCR-AWEZNQCLSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CC[C@@H]1CCC[N@H+](CCCOC(C)C)C1 ZINC000661379336 410594411 /nfs/dbraw/zinc/59/44/11/410594411.db2.gz BTDHEZKODWVZCR-CQSZACIVSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(C)noc2C)C1 ZINC000661379374 411762388 /nfs/dbraw/zinc/76/23/88/411762388.db2.gz XQBRQIOBANQOFT-CYBMUJFWSA-N 1 1 234.343 3.080 20 30 BGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(C)noc2C)C1 ZINC000661379375 411762972 /nfs/dbraw/zinc/76/29/72/411762972.db2.gz XQBRQIOBANQOFT-ZDUSSCGKSA-N 1 1 234.343 3.080 20 30 BGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC000661379570 411761816 /nfs/dbraw/zinc/76/18/16/411761816.db2.gz ZTHYBYGDTWFQHP-CYBMUJFWSA-N 1 1 234.343 3.080 20 30 BGEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC000661379571 411762279 /nfs/dbraw/zinc/76/22/79/411762279.db2.gz ZTHYBYGDTWFQHP-ZDUSSCGKSA-N 1 1 234.343 3.080 20 30 BGEDMO C=CC[C@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000661379663 411763225 /nfs/dbraw/zinc/76/32/25/411763225.db2.gz GDJJHKVGJFQMTA-KBPBESRZSA-N 1 1 205.345 3.383 20 30 BGEDMO C=CC[C@@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000661379664 411761684 /nfs/dbraw/zinc/76/16/84/411761684.db2.gz GDJJHKVGJFQMTA-KGLIPLIRSA-N 1 1 205.345 3.383 20 30 BGEDMO C=CC[C@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000661379665 411762331 /nfs/dbraw/zinc/76/23/31/411762331.db2.gz GDJJHKVGJFQMTA-UONOGXRCSA-N 1 1 205.345 3.383 20 30 BGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000661379666 411761784 /nfs/dbraw/zinc/76/17/84/411761784.db2.gz GDJJHKVGJFQMTA-ZIAGYGMSSA-N 1 1 205.345 3.383 20 30 BGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(C)onc2CC)C1 ZINC000661379689 411761974 /nfs/dbraw/zinc/76/19/74/411761974.db2.gz GMXJKTVRJZTMDQ-CYBMUJFWSA-N 1 1 248.370 3.334 20 30 BGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(C)onc2CC)C1 ZINC000661379690 411762980 /nfs/dbraw/zinc/76/29/80/411762980.db2.gz GMXJKTVRJZTMDQ-ZDUSSCGKSA-N 1 1 248.370 3.334 20 30 BGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000661379829 411762481 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ZINC000677132747 487979446 /nfs/dbraw/zinc/97/94/46/487979446.db2.gz PSBWJKOAFHPTEG-MNOVXSKESA-N 1 1 233.277 3.063 20 30 BGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000677132748 487979161 /nfs/dbraw/zinc/97/91/61/487979161.db2.gz PSBWJKOAFHPTEG-QWRGUYRKSA-N 1 1 233.277 3.063 20 30 BGEDMO CCC1CCC([N@@H+](CC#CCOC)C2CC2)CC1 ZINC000677132998 487979548 /nfs/dbraw/zinc/97/95/48/487979548.db2.gz BYANZCBKACWVGS-UHFFFAOYSA-N 1 1 249.398 3.069 20 30 BGEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000677475859 488045643 /nfs/dbraw/zinc/04/56/43/488045643.db2.gz GYXYLMLLXYJDGC-GFCCVEGCSA-N 1 1 219.303 3.059 20 30 BGEDMO CCC#C[C@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000677475860 488045449 /nfs/dbraw/zinc/04/54/49/488045449.db2.gz GYXYLMLLXYJDGC-LBPRGKRZSA-N 1 1 219.303 3.059 20 30 BGEDMO CCC#C[C@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000677476863 488044786 /nfs/dbraw/zinc/04/47/86/488044786.db2.gz IKNYZYIKSOGPGB-AWEZNQCLSA-N 1 1 215.340 3.229 20 30 BGEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000677476864 488045931 /nfs/dbraw/zinc/04/59/31/488045931.db2.gz IKNYZYIKSOGPGB-CQSZACIVSA-N 1 1 215.340 3.229 20 30 BGEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000677476936 488044577 /nfs/dbraw/zinc/04/45/77/488044577.db2.gz KNMIQVPRKHRESE-GFCCVEGCSA-N 1 1 219.303 3.059 20 30 BGEDMO CCC#C[C@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000677476937 488045741 /nfs/dbraw/zinc/04/57/41/488045741.db2.gz KNMIQVPRKHRESE-LBPRGKRZSA-N 1 1 219.303 3.059 20 30 BGEDMO CCC#C[C@H](C)[N@H+](C)Cc1ccc(OCC)cc1 ZINC000677477178 488047395 /nfs/dbraw/zinc/04/73/95/488047395.db2.gz UEOROIJFRJRKAM-AWEZNQCLSA-N 1 1 245.366 3.319 20 30 BGEDMO CCC#C[C@@H](C)[N@H+](C)Cc1ccc(OCC)cc1 ZINC000677477179 488046409 /nfs/dbraw/zinc/04/64/09/488046409.db2.gz UEOROIJFRJRKAM-CQSZACIVSA-N 1 1 245.366 3.319 20 30 BGEDMO CCC#C[C@@H](C)[N@@H+](C)CCc1ccc(F)cc1 ZINC000677477861 488039900 /nfs/dbraw/zinc/03/99/00/488039900.db2.gz BTKXSDPVVIOTGZ-CYBMUJFWSA-N 1 1 233.330 3.102 20 30 BGEDMO CCC#C[C@H](C)[N@@H+](C)CCc1ccc(F)cc1 ZINC000677477862 488039793 /nfs/dbraw/zinc/03/97/93/488039793.db2.gz BTKXSDPVVIOTGZ-ZDUSSCGKSA-N 1 1 233.330 3.102 20 30 BGEDMO CCC#C[C@H](C)[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000677478139 488048837 /nfs/dbraw/zinc/04/88/37/488048837.db2.gz OUUHZMCZUHUNLK-AWEZNQCLSA-N 1 1 245.366 3.237 20 30 BGEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000677478140 488048339 /nfs/dbraw/zinc/04/83/39/488048339.db2.gz OUUHZMCZUHUNLK-CQSZACIVSA-N 1 1 245.366 3.237 20 30 BGEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CC#CCOC ZINC000677818380 487509656 /nfs/dbraw/zinc/50/96/56/487509656.db2.gz KVDJQNJJGSUIHG-INIZCTEOSA-N 1 1 245.366 3.109 20 30 BGEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CC#CCOC ZINC000677818381 487509645 /nfs/dbraw/zinc/50/96/45/487509645.db2.gz KVDJQNJJGSUIHG-MRXNPFEDSA-N 1 1 245.366 3.109 20 30 BGEDMO CCCC[N@@H+](CC#CCOC)C1CCCCC1 ZINC000677818436 487508754 /nfs/dbraw/zinc/50/87/54/487508754.db2.gz NJQOPCKDZGJBIQ-UHFFFAOYSA-N 1 1 237.387 3.071 20 30 BGEDMO CCC#C[C@H](C)[N@@H+](CC)Cc1ccccc1 ZINC000677950009 488163349 /nfs/dbraw/zinc/16/33/49/488163349.db2.gz GOJISAPZSFBPEX-AWEZNQCLSA-N 1 1 215.340 3.310 20 30 BGEDMO CCC#C[C@@H](C)[N@@H+](CC)Cc1ccccc1 ZINC000677950010 488163175 /nfs/dbraw/zinc/16/31/75/488163175.db2.gz GOJISAPZSFBPEX-CQSZACIVSA-N 1 1 215.340 3.310 20 30 BGEDMO CCC#C[C@@H](C)[N@@H+](CC)Cc1cccs1 ZINC000677951263 488164508 /nfs/dbraw/zinc/16/45/08/488164508.db2.gz MQCCKZJQXDRYCB-GFCCVEGCSA-N 1 1 221.369 3.372 20 30 BGEDMO CCC#C[C@H](C)[N@@H+](CC)Cc1cccs1 ZINC000677951266 488164253 /nfs/dbraw/zinc/16/42/53/488164253.db2.gz MQCCKZJQXDRYCB-LBPRGKRZSA-N 1 1 221.369 3.372 20 30 BGEDMO C=C(C)C[N@@H+](CC)C[C@@H]1CCOc2ccccc21 ZINC000678121200 488200781 /nfs/dbraw/zinc/20/07/81/488200781.db2.gz WKRDAAYDVLQYLB-AWEZNQCLSA-N 1 1 245.366 3.451 20 30 BGEDMO C=C(C)C[N@@H+](CC)C[C@H]1CCOc2ccccc21 ZINC000678121201 488200869 /nfs/dbraw/zinc/20/08/69/488200869.db2.gz WKRDAAYDVLQYLB-CQSZACIVSA-N 1 1 245.366 3.451 20 30 BGEDMO C=CCCC[N@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000678275151 488234545 /nfs/dbraw/zinc/23/45/45/488234545.db2.gz NCYRGVYBHFENFJ-AWEZNQCLSA-N 1 1 245.366 3.451 20 30 BGEDMO C=CCCC[N@H+](C)C[C@H]1CCOc2ccccc21 ZINC000678275154 488234479 /nfs/dbraw/zinc/23/44/79/488234479.db2.gz NCYRGVYBHFENFJ-CQSZACIVSA-N 1 1 245.366 3.451 20 30 BGEDMO CCC#C[C@H](C)[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000678332171 488241159 /nfs/dbraw/zinc/24/11/59/488241159.db2.gz HFBWTWYBYWFAGK-DZKIICNBSA-N 1 1 227.351 3.481 20 30 BGEDMO CCC#C[C@H](C)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000678332172 488240921 /nfs/dbraw/zinc/24/09/21/488240921.db2.gz HFBWTWYBYWFAGK-IJEWVQPXSA-N 1 1 227.351 3.481 20 30 BGEDMO CCC#C[C@H](C)[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000678332173 488241043 /nfs/dbraw/zinc/24/10/43/488241043.db2.gz HFBWTWYBYWFAGK-OFQRWUPVSA-N 1 1 227.351 3.481 20 30 BGEDMO CCC#C[C@H](C)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000678332174 488240912 /nfs/dbraw/zinc/24/09/12/488240912.db2.gz HFBWTWYBYWFAGK-YCPHGPKFSA-N 1 1 227.351 3.481 20 30 BGEDMO C=CC[N@@H+](CC1CCCCC1)[C@H]1CCCOC1 ZINC000678348830 488244940 /nfs/dbraw/zinc/24/49/40/488244940.db2.gz CHEZXCWBBRPTMF-HNNXBMFYSA-N 1 1 237.387 3.234 20 30 BGEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H]1CCCOC1 ZINC000678348831 488245092 /nfs/dbraw/zinc/24/50/92/488245092.db2.gz CHEZXCWBBRPTMF-OAHLLOKOSA-N 1 1 237.387 3.234 20 30 BGEDMO C=C(CC)C[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000678622610 488273314 /nfs/dbraw/zinc/27/33/14/488273314.db2.gz BQGYFVPGXIDAKT-UHFFFAOYSA-N 1 1 249.354 3.102 20 30 BGEDMO C=C(CC)C[N@@H+](CC)CCC(F)(F)F ZINC000678623803 488273558 /nfs/dbraw/zinc/27/35/58/488273558.db2.gz MVBDBNYRLIKMRY-UHFFFAOYSA-N 1 1 209.255 3.227 20 30 BGEDMO C=C(CC)C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000678624358 488273901 /nfs/dbraw/zinc/27/39/01/488273901.db2.gz ZYKJSAGBKJFKCB-INIZCTEOSA-N 1 1 245.366 3.416 20 30 BGEDMO C=C(CC)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000678624359 488273507 /nfs/dbraw/zinc/27/35/07/488273507.db2.gz ZYKJSAGBKJFKCB-MRXNPFEDSA-N 1 1 245.366 3.416 20 30 BGEDMO C=C(CC)C[N@H+]1CCCc2sccc2C1 ZINC000678624640 488273852 /nfs/dbraw/zinc/27/38/52/488273852.db2.gz IDUATSHHUXERNG-UHFFFAOYSA-N 1 1 221.369 3.463 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000678624890 488273515 /nfs/dbraw/zinc/27/35/15/488273515.db2.gz JCBIYOKSIGNRIQ-HNNXBMFYSA-N 1 1 231.339 3.495 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000678624891 488273471 /nfs/dbraw/zinc/27/34/71/488273471.db2.gz JCBIYOKSIGNRIQ-OAHLLOKOSA-N 1 1 231.339 3.495 20 30 BGEDMO C=C(CC)C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000678625117 488273935 /nfs/dbraw/zinc/27/39/35/488273935.db2.gz ZNAKRFQFMWRSSM-GFCCVEGCSA-N 1 1 205.301 3.035 20 30 BGEDMO C=C(CC)C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000678625118 488273529 /nfs/dbraw/zinc/27/35/29/488273529.db2.gz ZNAKRFQFMWRSSM-LBPRGKRZSA-N 1 1 205.301 3.035 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678637164 488275183 /nfs/dbraw/zinc/27/51/83/488275183.db2.gz CDUHMQFCLCIJDN-CABCVRRESA-N 1 1 237.387 3.091 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000678637165 488275080 /nfs/dbraw/zinc/27/50/80/488275080.db2.gz CDUHMQFCLCIJDN-GJZGRUSLSA-N 1 1 237.387 3.091 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678637166 488275110 /nfs/dbraw/zinc/27/51/10/488275110.db2.gz CDUHMQFCLCIJDN-HUUCEWRRSA-N 1 1 237.387 3.091 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000678637167 488275197 /nfs/dbraw/zinc/27/51/97/488275197.db2.gz CDUHMQFCLCIJDN-LSDHHAIUSA-N 1 1 237.387 3.091 20 30 BGEDMO C=CCCC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678640823 488275490 /nfs/dbraw/zinc/27/54/90/488275490.db2.gz SSEKGQDHVNONRV-CABCVRRESA-N 1 1 237.387 3.091 20 30 BGEDMO C=CCCC[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000678640825 488275089 /nfs/dbraw/zinc/27/50/89/488275089.db2.gz SSEKGQDHVNONRV-GJZGRUSLSA-N 1 1 237.387 3.091 20 30 BGEDMO C=CCCC[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678640827 488275217 /nfs/dbraw/zinc/27/52/17/488275217.db2.gz SSEKGQDHVNONRV-HUUCEWRRSA-N 1 1 237.387 3.091 20 30 BGEDMO C=CCCC[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000678640828 488275040 /nfs/dbraw/zinc/27/50/40/488275040.db2.gz SSEKGQDHVNONRV-LSDHHAIUSA-N 1 1 237.387 3.091 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000678714506 488277117 /nfs/dbraw/zinc/27/71/17/488277117.db2.gz DPHOOVMUCVNFSL-KBPBESRZSA-N 1 1 247.386 3.334 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000678714506 488277114 /nfs/dbraw/zinc/27/71/14/488277114.db2.gz DPHOOVMUCVNFSL-KBPBESRZSA-N 1 1 247.386 3.334 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000678714506 488277111 /nfs/dbraw/zinc/27/71/11/488277111.db2.gz DPHOOVMUCVNFSL-KBPBESRZSA-N 1 1 247.386 3.334 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000678714508 488276996 /nfs/dbraw/zinc/27/69/96/488276996.db2.gz DPHOOVMUCVNFSL-KGLIPLIRSA-N 1 1 247.386 3.334 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000678714508 488276995 /nfs/dbraw/zinc/27/69/95/488276995.db2.gz DPHOOVMUCVNFSL-KGLIPLIRSA-N 1 1 247.386 3.334 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000678714508 488276993 /nfs/dbraw/zinc/27/69/93/488276993.db2.gz DPHOOVMUCVNFSL-KGLIPLIRSA-N 1 1 247.386 3.334 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000678714509 487633541 /nfs/dbraw/zinc/63/35/41/487633541.db2.gz DPHOOVMUCVNFSL-UONOGXRCSA-N 1 1 247.386 3.334 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000678714509 487633539 /nfs/dbraw/zinc/63/35/39/487633539.db2.gz DPHOOVMUCVNFSL-UONOGXRCSA-N 1 1 247.386 3.334 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000678714509 487633535 /nfs/dbraw/zinc/63/35/35/487633535.db2.gz DPHOOVMUCVNFSL-UONOGXRCSA-N 1 1 247.386 3.334 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000678714512 487633433 /nfs/dbraw/zinc/63/34/33/487633433.db2.gz DPHOOVMUCVNFSL-ZIAGYGMSSA-N 1 1 247.386 3.334 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000678714512 487633429 /nfs/dbraw/zinc/63/34/29/487633429.db2.gz DPHOOVMUCVNFSL-ZIAGYGMSSA-N 1 1 247.386 3.334 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000678714512 487633426 /nfs/dbraw/zinc/63/34/26/487633426.db2.gz DPHOOVMUCVNFSL-ZIAGYGMSSA-N 1 1 247.386 3.334 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](CC)C[C@@H]1CCOC1 ZINC000678714537 488276972 /nfs/dbraw/zinc/27/69/72/488276972.db2.gz FYUGGEWZNWSQCV-KGLIPLIRSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](CC)C[C@H]1CCOC1 ZINC000678714538 488276933 /nfs/dbraw/zinc/27/69/33/488276933.db2.gz FYUGGEWZNWSQCV-ZIAGYGMSSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](OCC)C1 ZINC000678714792 487633010 /nfs/dbraw/zinc/63/30/10/487633010.db2.gz PWJYIPASJUCNCM-KGLIPLIRSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](OCC)C1 ZINC000678714793 487633126 /nfs/dbraw/zinc/63/31/26/487633126.db2.gz PWJYIPASJUCNCM-ZIAGYGMSSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000678715575 488277386 /nfs/dbraw/zinc/27/73/86/488277386.db2.gz YITPKGYWPRUVQB-CABCVRRESA-N 1 1 247.386 3.265 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000678715576 488277396 /nfs/dbraw/zinc/27/73/96/488277396.db2.gz YITPKGYWPRUVQB-GJZGRUSLSA-N 1 1 247.386 3.265 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000678715577 488277885 /nfs/dbraw/zinc/27/78/85/488277885.db2.gz YITPKGYWPRUVQB-HUUCEWRRSA-N 1 1 247.386 3.265 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000678715578 488277652 /nfs/dbraw/zinc/27/76/52/488277652.db2.gz YITPKGYWPRUVQB-LSDHHAIUSA-N 1 1 247.386 3.265 20 30 BGEDMO C=CCCC[C@@H](C)[N@@H+](C)CCOC(C)(C)C ZINC000678715999 488277877 /nfs/dbraw/zinc/27/78/77/488277877.db2.gz KHGLPNCGZJTOLI-CYBMUJFWSA-N 1 1 227.392 3.478 20 30 BGEDMO C=CCCC[C@H](C)[N@@H+](C)CCOC(C)(C)C ZINC000678716000 488277856 /nfs/dbraw/zinc/27/78/56/488277856.db2.gz KHGLPNCGZJTOLI-ZDUSSCGKSA-N 1 1 227.392 3.478 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCCOC(C)(C)C1 ZINC000678716351 488277505 /nfs/dbraw/zinc/27/75/05/488277505.db2.gz RPDHWGKOWYUJBE-CYBMUJFWSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCCOC(C)(C)C1 ZINC000678716352 488277061 /nfs/dbraw/zinc/27/70/61/488277061.db2.gz RPDHWGKOWYUJBE-ZDUSSCGKSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+](C)Cc1ccc(OC)nc1 ZINC000678718506 488278563 /nfs/dbraw/zinc/27/85/63/488278563.db2.gz CBJWAKABVHYXEC-CYBMUJFWSA-N 1 1 248.370 3.267 20 30 BGEDMO C=CCCC[C@H](C)[N@H+](C)Cc1ccc(OC)nc1 ZINC000678718509 488278391 /nfs/dbraw/zinc/27/83/91/488278391.db2.gz CBJWAKABVHYXEC-ZDUSSCGKSA-N 1 1 248.370 3.267 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000678722306 488279176 /nfs/dbraw/zinc/27/91/76/488279176.db2.gz VWBGZDMKZIPBNL-GHMZBOCLSA-N 1 1 217.303 3.318 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](C(F)F)C1 ZINC000678722307 488279151 /nfs/dbraw/zinc/27/91/51/488279151.db2.gz VWBGZDMKZIPBNL-MNOVXSKESA-N 1 1 217.303 3.318 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](C(F)F)C1 ZINC000678722308 488279112 /nfs/dbraw/zinc/27/91/12/488279112.db2.gz VWBGZDMKZIPBNL-QWRGUYRKSA-N 1 1 217.303 3.318 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000678722309 488278890 /nfs/dbraw/zinc/27/88/90/488278890.db2.gz VWBGZDMKZIPBNL-WDEREUQCSA-N 1 1 217.303 3.318 20 30 BGEDMO CCC#C[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000678787047 488282910 /nfs/dbraw/zinc/28/29/10/488282910.db2.gz ZNQAORKWFQYOEX-NEPJUHHUSA-N 1 1 249.329 3.287 20 30 BGEDMO CCC#C[C@H](C)[NH2+][C@H](C)c1c(F)cccc1OC ZINC000678787049 488282721 /nfs/dbraw/zinc/28/27/21/488282721.db2.gz ZNQAORKWFQYOEX-NWDGAFQWSA-N 1 1 249.329 3.287 20 30 BGEDMO CCC#C[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000678787050 488282727 /nfs/dbraw/zinc/28/27/27/488282727.db2.gz ZNQAORKWFQYOEX-RYUDHWBXSA-N 1 1 249.329 3.287 20 30 BGEDMO CCC#C[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1OC ZINC000678787051 488282869 /nfs/dbraw/zinc/28/28/69/488282869.db2.gz ZNQAORKWFQYOEX-VXGBXAGGSA-N 1 1 249.329 3.287 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1nc2c(s1)CCC2 ZINC000678808879 488285957 /nfs/dbraw/zinc/28/59/57/488285957.db2.gz KFNFSRJOJIHNGN-UHFFFAOYSA-N 1 1 236.384 3.030 20 30 BGEDMO C=C(C)C[N@@H+](CC)Cc1nc2c(s1)CCC2 ZINC000678808879 488285956 /nfs/dbraw/zinc/28/59/56/488285956.db2.gz KFNFSRJOJIHNGN-UHFFFAOYSA-N 1 1 236.384 3.030 20 30 BGEDMO C=CCCC[N@H+](C)Cc1nc2c(s1)CCC2 ZINC000678832293 488289815 /nfs/dbraw/zinc/28/98/15/488289815.db2.gz FYTAAXSVKMMWRS-UHFFFAOYSA-N 1 1 236.384 3.030 20 30 BGEDMO C=CCCC[C@@H](C)[NH2+]Cc1n[nH]c2ccccc21 ZINC000678940710 488296679 /nfs/dbraw/zinc/29/66/79/488296679.db2.gz FZONQKOBHORDFW-GFCCVEGCSA-N 1 1 243.354 3.397 20 30 BGEDMO C=CCCC[C@H](C)[NH2+]Cc1n[nH]c2ccccc21 ZINC000678940711 487707434 /nfs/dbraw/zinc/70/74/34/487707434.db2.gz FZONQKOBHORDFW-LBPRGKRZSA-N 1 1 243.354 3.397 20 30 BGEDMO C=CCCCCC[N@H+](C)CC(O)(CC)CC ZINC000679132009 488311971 /nfs/dbraw/zinc/31/19/71/488311971.db2.gz VPARBGPIANQANS-UHFFFAOYSA-N 1 1 227.392 3.216 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cccc(F)c1Cl ZINC000679218498 488318215 /nfs/dbraw/zinc/31/82/15/488318215.db2.gz NALKKCMFWYXIPH-UHFFFAOYSA-N 1 1 227.710 3.487 20 30 BGEDMO C=C(C)C[N@@H+](C)Cc1cccc(F)c1Cl ZINC000679218498 488318213 /nfs/dbraw/zinc/31/82/13/488318213.db2.gz NALKKCMFWYXIPH-UHFFFAOYSA-N 1 1 227.710 3.487 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679220017 487783331 /nfs/dbraw/zinc/78/33/31/487783331.db2.gz HWECNAFKATXRCV-AGIUHOORSA-N 1 1 213.340 3.411 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679220018 487783297 /nfs/dbraw/zinc/78/32/97/487783297.db2.gz HWECNAFKATXRCV-AVGNSLFASA-N 1 1 213.340 3.411 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(OCCC)cc1 ZINC000679220432 488319371 /nfs/dbraw/zinc/31/93/71/488319371.db2.gz XVBRKLDCLUKQBI-UHFFFAOYSA-N 1 1 233.355 3.483 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679220567 487783921 /nfs/dbraw/zinc/78/39/21/487783921.db2.gz HWECNAFKATXRCV-FRRDWIJNSA-N 1 1 213.340 3.411 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679220569 487783943 /nfs/dbraw/zinc/78/39/43/487783943.db2.gz HWECNAFKATXRCV-RWMBFGLXSA-N 1 1 213.340 3.411 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000679357758 487931962 /nfs/dbraw/zinc/93/19/62/487931962.db2.gz ACUFCZTVMQESTD-UHFFFAOYSA-N 1 1 245.366 3.408 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1nccc2ccccc21 ZINC000679359150 488345150 /nfs/dbraw/zinc/34/51/50/488345150.db2.gz KUUXKIXKHKJVSO-UHFFFAOYSA-N 1 1 226.323 3.243 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cccc(OCCC)c1 ZINC000679359166 488345353 /nfs/dbraw/zinc/34/53/53/488345353.db2.gz KYNCHQJJPJHCOB-UHFFFAOYSA-N 1 1 233.355 3.483 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccnc2ccccc12 ZINC000679359276 488345437 /nfs/dbraw/zinc/34/54/37/488345437.db2.gz MCECTXOOSWCLOJ-UHFFFAOYSA-N 1 1 226.323 3.243 20 30 BGEDMO C=CCOc1ccccc1C[N@@H+]1CC=CCC1 ZINC000679359581 488345847 /nfs/dbraw/zinc/34/58/47/488345847.db2.gz NZADJZCWRGLXEI-UHFFFAOYSA-N 1 1 229.323 3.013 20 30 BGEDMO C=CCOc1cccc(C[N@@H+]2CC=CCC2)c1 ZINC000679360249 488346013 /nfs/dbraw/zinc/34/60/13/488346013.db2.gz UETWYXBZLSAQRV-UHFFFAOYSA-N 1 1 229.323 3.013 20 30 BGEDMO C=CCOc1ccc(C[N@@H+]2CC=CCC2)cc1 ZINC000679360644 488345731 /nfs/dbraw/zinc/34/57/31/488345731.db2.gz USUYYBHDZHSDMQ-UHFFFAOYSA-N 1 1 229.323 3.013 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cnc(C2CC2)s1 ZINC000679361067 488346739 /nfs/dbraw/zinc/34/67/39/488346739.db2.gz SIOQTIIAWYWAGN-UHFFFAOYSA-N 1 1 222.357 3.028 20 30 BGEDMO C=C(C)C[N@H+](C)CC(C)(C)c1ccccc1 ZINC000679362176 488346765 /nfs/dbraw/zinc/34/67/65/488346765.db2.gz WWJHKZIWUMFIME-UHFFFAOYSA-N 1 1 217.356 3.472 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(CC)s1 ZINC000679362536 488346291 /nfs/dbraw/zinc/34/62/91/488346291.db2.gz YZGXTPMRXTZEFF-UHFFFAOYSA-N 1 1 209.358 3.318 20 30 BGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000679537098 488356985 /nfs/dbraw/zinc/35/69/85/488356985.db2.gz ZTCDZUIQQZGLCE-AWEZNQCLSA-N 1 1 215.340 3.224 20 30 BGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000679537099 488357171 /nfs/dbraw/zinc/35/71/71/488357171.db2.gz ZTCDZUIQQZGLCE-CQSZACIVSA-N 1 1 215.340 3.224 20 30 BGEDMO C=C(C)C[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679542087 488357407 /nfs/dbraw/zinc/35/74/07/488357407.db2.gz MZBHORRVMWWGQQ-NXEZZACHSA-N 1 1 221.266 3.225 20 30 BGEDMO C=C(C)C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679542088 488357118 /nfs/dbraw/zinc/35/71/18/488357118.db2.gz MZBHORRVMWWGQQ-UWVGGRQHSA-N 1 1 221.266 3.225 20 30 BGEDMO C=C(C)C[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679542089 488357198 /nfs/dbraw/zinc/35/71/98/488357198.db2.gz MZBHORRVMWWGQQ-VHSXEESVSA-N 1 1 221.266 3.225 20 30 BGEDMO C=C(C)C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679542090 488357052 /nfs/dbraw/zinc/35/70/52/488357052.db2.gz MZBHORRVMWWGQQ-ZJUUUORDSA-N 1 1 221.266 3.225 20 30 BGEDMO C=CCC[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679542404 488357922 /nfs/dbraw/zinc/35/79/22/488357922.db2.gz QHJZVPJOUFSNHY-NXEZZACHSA-N 1 1 221.266 3.225 20 30 BGEDMO C=CCC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679542405 488357650 /nfs/dbraw/zinc/35/76/50/488357650.db2.gz QHJZVPJOUFSNHY-UWVGGRQHSA-N 1 1 221.266 3.225 20 30 BGEDMO C=CCC[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679542406 488357661 /nfs/dbraw/zinc/35/76/61/488357661.db2.gz QHJZVPJOUFSNHY-VHSXEESVSA-N 1 1 221.266 3.225 20 30 BGEDMO C=CCC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679542407 488357899 /nfs/dbraw/zinc/35/78/99/488357899.db2.gz QHJZVPJOUFSNHY-ZJUUUORDSA-N 1 1 221.266 3.225 20 30 BGEDMO C=CC[N@H+](CCC)Cc1ccc(C)cc1 ZINC000679636828 488361033 /nfs/dbraw/zinc/36/10/33/488361033.db2.gz XPBVMOQHARPGPQ-UHFFFAOYSA-N 1 1 203.329 3.393 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000679680591 488364517 /nfs/dbraw/zinc/36/45/17/488364517.db2.gz CQARGHQORZUTFL-NEPJUHHUSA-N 1 1 247.329 3.435 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679680592 488364152 /nfs/dbraw/zinc/36/41/52/488364152.db2.gz CQARGHQORZUTFL-NWDGAFQWSA-N 1 1 247.329 3.435 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000679680595 488364370 /nfs/dbraw/zinc/36/43/70/488364370.db2.gz CQARGHQORZUTFL-RYUDHWBXSA-N 1 1 247.329 3.435 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679680598 488364303 /nfs/dbraw/zinc/36/43/03/488364303.db2.gz CQARGHQORZUTFL-VXGBXAGGSA-N 1 1 247.329 3.435 20 30 BGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000679824340 488367003 /nfs/dbraw/zinc/36/70/03/488367003.db2.gz VNFZPDMZPKYRIN-AWEZNQCLSA-N 1 1 229.367 3.299 20 30 BGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000679824341 488366959 /nfs/dbraw/zinc/36/69/59/488366959.db2.gz VNFZPDMZPKYRIN-CQSZACIVSA-N 1 1 229.367 3.299 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](OC)CC1 ZINC000679953288 487953151 /nfs/dbraw/zinc/95/31/51/487953151.db2.gz HTJCOWMBFUZWIX-KBPBESRZSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](OC)CC1 ZINC000679953289 487953337 /nfs/dbraw/zinc/95/33/37/487953337.db2.gz HTJCOWMBFUZWIX-KGLIPLIRSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](OC)CC1 ZINC000679953298 487953300 /nfs/dbraw/zinc/95/33/00/487953300.db2.gz HTJCOWMBFUZWIX-UONOGXRCSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](OC)CC1 ZINC000679953303 487953119 /nfs/dbraw/zinc/95/31/19/487953119.db2.gz HTJCOWMBFUZWIX-ZIAGYGMSSA-N 1 1 225.376 3.232 20 30 BGEDMO C=C(C)C[N@@H+](C)CCc1cccc(F)c1F ZINC000680075384 487533927 /nfs/dbraw/zinc/53/39/27/487533927.db2.gz GWVFQOGFHUOXDY-UHFFFAOYSA-N 1 1 225.282 3.015 20 30 BGEDMO C=C(C)C[N@@H+](C)CCCc1ccc(C)cc1 ZINC000680076493 487533915 /nfs/dbraw/zinc/53/39/15/487533915.db2.gz ZKRKXDAAMIBNSN-UHFFFAOYSA-N 1 1 217.356 3.436 20 30 BGEDMO CCC#C[C@H](C)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000680099991 487536175 /nfs/dbraw/zinc/53/61/75/487536175.db2.gz XUEGEQMIJFBKLA-KBPBESRZSA-N 1 1 205.345 3.076 20 30 BGEDMO CCC#C[C@@H](C)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000680100001 487534923 /nfs/dbraw/zinc/53/49/23/487534923.db2.gz XUEGEQMIJFBKLA-KGLIPLIRSA-N 1 1 205.345 3.076 20 30 BGEDMO CCC#C[C@H](C)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000680100003 487535083 /nfs/dbraw/zinc/53/50/83/487535083.db2.gz XUEGEQMIJFBKLA-UONOGXRCSA-N 1 1 205.345 3.076 20 30 BGEDMO CCC#C[C@@H](C)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000680100004 487534682 /nfs/dbraw/zinc/53/46/82/487534682.db2.gz XUEGEQMIJFBKLA-ZIAGYGMSSA-N 1 1 205.345 3.076 20 30 BGEDMO C=C(CC)C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680110296 487537146 /nfs/dbraw/zinc/53/71/46/487537146.db2.gz YRQKJNIDGCPDBQ-HNNXBMFYSA-N 1 1 249.329 3.245 20 30 BGEDMO C=C(CC)C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680110297 487537310 /nfs/dbraw/zinc/53/73/10/487537310.db2.gz YRQKJNIDGCPDBQ-OAHLLOKOSA-N 1 1 249.329 3.245 20 30 BGEDMO C=C(C)C[N@H+](C)C[C@@H](C)Cc1ccccc1 ZINC000680369657 487576091 /nfs/dbraw/zinc/57/60/91/487576091.db2.gz SJTOQOQXPBGEDJ-AWEZNQCLSA-N 1 1 217.356 3.373 20 30 BGEDMO C=C(C)C[N@H+](C)C[C@H](C)Cc1ccccc1 ZINC000680369658 487575998 /nfs/dbraw/zinc/57/59/98/487575998.db2.gz SJTOQOQXPBGEDJ-CQSZACIVSA-N 1 1 217.356 3.373 20 30 BGEDMO CCC#C[C@H](C)[NH2+][C@H](c1nc(C)cs1)C1CC1 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CCC#C[C@@H](C)[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000680397872 487585250 /nfs/dbraw/zinc/58/52/50/487585250.db2.gz DZEFRPDFYPPVPR-MFKMUULPSA-N 1 1 248.395 3.294 20 30 BGEDMO CCC#C[C@@H](C)[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000680397874 487585837 /nfs/dbraw/zinc/58/58/37/487585837.db2.gz DZEFRPDFYPPVPR-ZWNOBZJWSA-N 1 1 248.395 3.294 20 30 BGEDMO C=C(C)C[N@@H+](C)C/C=C\c1ccc(F)cc1F ZINC000680475081 487602911 /nfs/dbraw/zinc/60/29/11/487602911.db2.gz BCPXPRDSJCPIOD-PLNGDYQASA-N 1 1 237.293 3.486 20 30 BGEDMO C=C(C)C[N@@H+](C)C/C=C/c1ccc(F)cc1F ZINC000680475084 487602929 /nfs/dbraw/zinc/60/29/29/487602929.db2.gz BCPXPRDSJCPIOD-SNAWJCMRSA-N 1 1 237.293 3.486 20 30 BGEDMO CC#CCC[N@@H+](C1CC1)C1CCCCC1 ZINC000680882583 487663596 /nfs/dbraw/zinc/66/35/96/487663596.db2.gz JADVHAYBEUXICS-UHFFFAOYSA-N 1 1 205.345 3.197 20 30 BGEDMO CC#CCC[N@H+](CCC)Cc1ccc(OC)cc1 ZINC000680882590 487663717 /nfs/dbraw/zinc/66/37/17/487663717.db2.gz JHDIVMPPKUWAQZ-UHFFFAOYSA-N 1 1 245.366 3.321 20 30 BGEDMO 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C=C(C)CC[N@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000681400052 487791105 /nfs/dbraw/zinc/79/11/05/487791105.db2.gz WYNWJTILGHLNIU-GFCCVEGCSA-N 1 1 249.358 3.125 20 30 BGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000681400057 487791183 /nfs/dbraw/zinc/79/11/83/487791183.db2.gz WYNWJTILGHLNIU-LBPRGKRZSA-N 1 1 249.358 3.125 20 30 BGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000681400057 487791180 /nfs/dbraw/zinc/79/11/80/487791180.db2.gz WYNWJTILGHLNIU-LBPRGKRZSA-N 1 1 249.358 3.125 20 30 BGEDMO C=C(C)CC[N@H+](CC)CCC(F)(F)F ZINC000681401889 487792824 /nfs/dbraw/zinc/79/28/24/487792824.db2.gz DTFJZUOUVKXDNV-UHFFFAOYSA-N 1 1 209.255 3.227 20 30 BGEDMO C=C(C)CC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000681402550 487792036 /nfs/dbraw/zinc/79/20/36/487792036.db2.gz OGGACLGDPGSOMN-INIZCTEOSA-N 1 1 245.366 3.416 20 30 BGEDMO C=C(C)CC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000681402551 487792564 /nfs/dbraw/zinc/79/25/64/487792564.db2.gz OGGACLGDPGSOMN-MRXNPFEDSA-N 1 1 245.366 3.416 20 30 BGEDMO C=C(C)CC[N@H+]1CCCc2sccc2C1 ZINC000681404262 487794251 /nfs/dbraw/zinc/79/42/51/487794251.db2.gz PVIKRPTXBUHOAY-UHFFFAOYSA-N 1 1 221.369 3.463 20 30 BGEDMO C=C(C)CC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000681404273 487794299 /nfs/dbraw/zinc/79/42/99/487794299.db2.gz QQWVPVIWAPPWGN-GFCCVEGCSA-N 1 1 205.301 3.035 20 30 BGEDMO C=C(C)CC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000681404274 487794031 /nfs/dbraw/zinc/79/40/31/487794031.db2.gz QQWVPVIWAPPWGN-LBPRGKRZSA-N 1 1 205.301 3.035 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000681407779 487793169 /nfs/dbraw/zinc/79/31/69/487793169.db2.gz FYPWQIZQTZEDIM-CABCVRRESA-N 1 1 237.387 3.091 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000681407781 487793070 /nfs/dbraw/zinc/79/30/70/487793070.db2.gz FYPWQIZQTZEDIM-GJZGRUSLSA-N 1 1 237.387 3.091 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000681407782 487792997 /nfs/dbraw/zinc/79/29/97/487792997.db2.gz FYPWQIZQTZEDIM-HUUCEWRRSA-N 1 1 237.387 3.091 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000681407784 487792677 /nfs/dbraw/zinc/79/26/77/487792677.db2.gz FYPWQIZQTZEDIM-LSDHHAIUSA-N 1 1 237.387 3.091 20 30 BGEDMO C=C(C)CC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000681409709 487795789 /nfs/dbraw/zinc/79/57/89/487795789.db2.gz GBBUWPAXPQLVCM-HNNXBMFYSA-N 1 1 249.329 3.245 20 30 BGEDMO C=C(C)CC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000681409710 487795802 /nfs/dbraw/zinc/79/58/02/487795802.db2.gz GBBUWPAXPQLVCM-OAHLLOKOSA-N 1 1 249.329 3.245 20 30 BGEDMO CCC#C[C@H](C)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000681476226 487802552 /nfs/dbraw/zinc/80/25/52/487802552.db2.gz JSIOXWDLOSFAIE-AWEZNQCLSA-N 1 1 239.362 3.336 20 30 BGEDMO CCC#C[C@@H](C)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000681476234 487802626 /nfs/dbraw/zinc/80/26/26/487802626.db2.gz JSIOXWDLOSFAIE-CQSZACIVSA-N 1 1 239.362 3.336 20 30 BGEDMO CCC#C[C@@H](C)[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000681693775 487841435 /nfs/dbraw/zinc/84/14/35/487841435.db2.gz GDNZEWYDMKHDPD-LLVKDONJSA-N 1 1 248.395 3.222 20 30 BGEDMO CCC#C[C@H](C)[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000681693777 487841949 /nfs/dbraw/zinc/84/19/49/487841949.db2.gz GDNZEWYDMKHDPD-NSHDSACASA-N 1 1 248.395 3.222 20 30 BGEDMO C=CC[N@H+](C)Cc1ccccc1C1CC1 ZINC000681758147 487857282 /nfs/dbraw/zinc/85/72/82/487857282.db2.gz FKHPEKXJAHHRHN-UHFFFAOYSA-N 1 1 201.313 3.182 20 30 BGEDMO C=CCCC[N@H+](C)[C@H](C)c1cnc(C)nc1C ZINC000682075167 487899474 /nfs/dbraw/zinc/89/94/74/487899474.db2.gz XWCHUFSZKBOJBM-GFCCVEGCSA-N 1 1 233.359 3.052 20 30 BGEDMO C=CCCC[N@H+](C)[C@@H](C)c1cnc(C)nc1C ZINC000682075168 487898946 /nfs/dbraw/zinc/89/89/46/487898946.db2.gz XWCHUFSZKBOJBM-LBPRGKRZSA-N 1 1 233.359 3.052 20 30 BGEDMO C=CCC[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000682434940 487962798 /nfs/dbraw/zinc/96/27/98/487962798.db2.gz DNZAQMBUSRQGCA-AWEZNQCLSA-N 1 1 215.340 3.224 20 30 BGEDMO C=CCC[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000682434941 487962490 /nfs/dbraw/zinc/96/24/90/487962490.db2.gz DNZAQMBUSRQGCA-CQSZACIVSA-N 1 1 215.340 3.224 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(OCCC)cc1 ZINC000682435590 487962519 /nfs/dbraw/zinc/96/25/19/487962519.db2.gz ZRBPIHAWYVGHCF-UHFFFAOYSA-N 1 1 233.355 3.483 20 30 BGEDMO C=CCC[N@H+](C)Cc1nccc2ccccc21 ZINC000682436238 487963082 /nfs/dbraw/zinc/96/30/82/487963082.db2.gz ATTCTNIKRGLYHM-UHFFFAOYSA-N 1 1 226.323 3.243 20 30 BGEDMO C=CCC[N@H+](C)C[C@H]1CCOc2ccccc21 ZINC000682436264 487962808 /nfs/dbraw/zinc/96/28/08/487962808.db2.gz BVDDOXUCYMPWQZ-CYBMUJFWSA-N 1 1 231.339 3.061 20 30 BGEDMO C=CCC[N@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000682436266 487962485 /nfs/dbraw/zinc/96/24/85/487962485.db2.gz BVDDOXUCYMPWQZ-ZDUSSCGKSA-N 1 1 231.339 3.061 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccnc2ccccc12 ZINC000682436312 487963105 /nfs/dbraw/zinc/96/31/05/487963105.db2.gz FYAOAESDLAAJNM-UHFFFAOYSA-N 1 1 226.323 3.243 20 30 BGEDMO C=CCC[N@H+](C)Cc1cnc(C2CC2)s1 ZINC000682436479 487962779 /nfs/dbraw/zinc/96/27/79/487962779.db2.gz MIINOBVDLNVQNP-UHFFFAOYSA-N 1 1 222.357 3.028 20 30 BGEDMO C=CCC[N@H+](C)Cc1cccc2cnccc21 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/nfs/dbraw/zinc/08/37/53/488083753.db2.gz NGHZGRIJRPSTDV-UHFFFAOYSA-N 1 1 245.366 3.198 20 30 BGEDMO C[N@@H+](CC#Cc1ccccc1)Cc1ccsc1 ZINC000683003672 488085282 /nfs/dbraw/zinc/08/52/82/488085282.db2.gz RLJRFMYRGGXUPS-UHFFFAOYSA-N 1 1 241.359 3.232 20 30 BGEDMO C[N@H+](CC#Cc1ccccc1)Cc1ccsc1 ZINC000683003672 488085275 /nfs/dbraw/zinc/08/52/75/488085275.db2.gz RLJRFMYRGGXUPS-UHFFFAOYSA-N 1 1 241.359 3.232 20 30 BGEDMO CC[N@@H+](CC#Cc1ccccc1)Cc1ccoc1 ZINC000683006380 488088411 /nfs/dbraw/zinc/08/84/11/488088411.db2.gz KZEPLJIBCGHPEP-UHFFFAOYSA-N 1 1 239.318 3.153 20 30 BGEDMO CC[N@H+](CC#Cc1ccccc1)Cc1ccoc1 ZINC000683006380 488088408 /nfs/dbraw/zinc/08/84/08/488088408.db2.gz KZEPLJIBCGHPEP-UHFFFAOYSA-N 1 1 239.318 3.153 20 30 BGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000683524954 488185293 /nfs/dbraw/zinc/18/52/93/488185293.db2.gz LMJNEQXYESQBIY-GHMZBOCLSA-N 1 1 233.277 3.063 20 30 BGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000683524956 488185304 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ZINC000684356721 488300017 /nfs/dbraw/zinc/30/00/17/488300017.db2.gz PWPYOOXKJPYRFU-UHFFFAOYSA-N 1 1 225.332 3.238 20 30 BGEDMO C=CCOc1ccc(C[N@@H+]2[C@H](C)C[C@@H]2C)cc1 ZINC000684412660 488308908 /nfs/dbraw/zinc/30/89/08/488308908.db2.gz YWNZEJLKZKESFV-BETUJISGSA-N 1 1 231.339 3.234 20 30 BGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000684625556 488334997 /nfs/dbraw/zinc/33/49/97/488334997.db2.gz WXFWKPJQEIQZNT-DZGCQCFKSA-N 1 1 245.341 3.417 20 30 BGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000684625557 488335069 /nfs/dbraw/zinc/33/50/69/488335069.db2.gz WXFWKPJQEIQZNT-HIFRSBDPSA-N 1 1 245.341 3.417 20 30 BGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000684625558 488334933 /nfs/dbraw/zinc/33/49/33/488334933.db2.gz WXFWKPJQEIQZNT-UKRRQHHQSA-N 1 1 245.341 3.417 20 30 BGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000684625559 488335092 /nfs/dbraw/zinc/33/50/92/488335092.db2.gz WXFWKPJQEIQZNT-ZFWWWQNUSA-N 1 1 245.341 3.417 20 30 BGEDMO C=CC[C@@H](CC)[NH2+]Cc1n[nH]c2ccccc21 ZINC000684931064 488353537 /nfs/dbraw/zinc/35/35/37/488353537.db2.gz UDSJFLIUWQNKSO-LLVKDONJSA-N 1 1 229.327 3.007 20 30 BGEDMO C=CC[C@H](CC)[NH2+]Cc1n[nH]c2ccccc21 ZINC000684931065 488353677 /nfs/dbraw/zinc/35/36/77/488353677.db2.gz UDSJFLIUWQNKSO-NSHDSACASA-N 1 1 229.327 3.007 20 30 BGEDMO C=C(C)C[N@@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000685426497 488026697 /nfs/dbraw/zinc/02/66/97/488026697.db2.gz NJDBSQOBZLGSMY-PLNGDYQASA-N 1 1 237.293 3.486 20 30 BGEDMO C=C(C)C[N@@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000685426498 488026789 /nfs/dbraw/zinc/02/67/89/488026789.db2.gz NJDBSQOBZLGSMY-SNAWJCMRSA-N 1 1 237.293 3.486 20 30 BGEDMO C=CCC[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000685429501 487521859 /nfs/dbraw/zinc/52/18/59/487521859.db2.gz IAIONNDWTUMZSV-AATRIKPKSA-N 1 1 237.293 3.486 20 30 BGEDMO C=CCC[N@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000685429502 487522007 /nfs/dbraw/zinc/52/20/07/487522007.db2.gz IAIONNDWTUMZSV-WAYWQWQTSA-N 1 1 237.293 3.486 20 30 BGEDMO C=CCCCCC[N@H+](C)Cc1oc(C)nc1C ZINC000685565095 487546906 /nfs/dbraw/zinc/54/69/06/487546906.db2.gz LAUYOYSZUNBUOQ-UHFFFAOYSA-N 1 1 236.359 3.470 20 30 BGEDMO C=CC[N@H+](Cc1n[nH]cc1C)CC1CCCCC1 ZINC000685837156 487583548 /nfs/dbraw/zinc/58/35/48/487583548.db2.gz KHMKKGHVOSAURT-UHFFFAOYSA-N 1 1 247.386 3.286 20 30 BGEDMO C=CC[N@@H+](Cc1n[nH]cc1C)CC1CCCCC1 ZINC000685837156 487583544 /nfs/dbraw/zinc/58/35/44/487583544.db2.gz KHMKKGHVOSAURT-UHFFFAOYSA-N 1 1 247.386 3.286 20 30 BGEDMO C=CC[N@H+](Cc1[nH]ncc1C)CC1CCCCC1 ZINC000685837156 487583542 /nfs/dbraw/zinc/58/35/42/487583542.db2.gz KHMKKGHVOSAURT-UHFFFAOYSA-N 1 1 247.386 3.286 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(SC)s1 ZINC000685843079 487587085 /nfs/dbraw/zinc/58/70/85/487587085.db2.gz HJCWTYLYGRCQOE-UHFFFAOYSA-N 1 1 227.398 3.478 20 30 BGEDMO C=C(C)C[N@H+](C)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000685843085 488123416 /nfs/dbraw/zinc/12/34/16/488123416.db2.gz IWLLWWKIBVTNRV-GXTWGEPZSA-N 1 1 207.361 3.487 20 30 BGEDMO C=C(C)C[N@H+](C)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000685843086 488123536 /nfs/dbraw/zinc/12/35/36/488123536.db2.gz IWLLWWKIBVTNRV-JSGCOSHPSA-N 1 1 207.361 3.487 20 30 BGEDMO C=C(C)C[N@H+](C)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000685843087 488123441 /nfs/dbraw/zinc/12/34/41/488123441.db2.gz IWLLWWKIBVTNRV-OCCSQVGLSA-N 1 1 207.361 3.487 20 30 BGEDMO C=C(C)C[N@H+](C)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000685843088 488123352 /nfs/dbraw/zinc/12/33/52/488123352.db2.gz IWLLWWKIBVTNRV-TZMCWYRMSA-N 1 1 207.361 3.487 20 30 BGEDMO C=CCC[N@H+](C)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000685844433 487587072 /nfs/dbraw/zinc/58/70/72/487587072.db2.gz QVNVQGHHRPCAIH-GXTWGEPZSA-N 1 1 207.361 3.487 20 30 BGEDMO C=CCC[N@H+](C)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000685844434 487586717 /nfs/dbraw/zinc/58/67/17/487586717.db2.gz QVNVQGHHRPCAIH-JSGCOSHPSA-N 1 1 207.361 3.487 20 30 BGEDMO C=CCC[N@H+](C)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000685844435 487586609 /nfs/dbraw/zinc/58/66/09/487586609.db2.gz QVNVQGHHRPCAIH-OCCSQVGLSA-N 1 1 207.361 3.487 20 30 BGEDMO C=CCC[N@H+](C)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000685844436 487586209 /nfs/dbraw/zinc/58/62/09/487586209.db2.gz QVNVQGHHRPCAIH-TZMCWYRMSA-N 1 1 207.361 3.487 20 30 BGEDMO C=CCC1([NH2+]CC(F)(F)C(F)F)CCCC1 ZINC000700657563 712002139 /nfs/dbraw/zinc/00/21/39/712002139.db2.gz LMQTXOKTMONIRO-UHFFFAOYSA-N 1 1 239.256 3.365 20 30 BGEDMO CC[N@@H+](Cc1ccc(C)c(C#N)c1)C(C)C ZINC000700719081 712004154 /nfs/dbraw/zinc/00/41/54/712004154.db2.gz QLEHCXFHFPQWNW-UHFFFAOYSA-N 1 1 216.328 3.097 20 30 BGEDMO C#C[C@@H]([NH2+]Cc1c(F)cccc1F)C(C)(C)C ZINC000702288811 712045022 /nfs/dbraw/zinc/04/50/22/712045022.db2.gz PCAUMNQZONEUGA-CYBMUJFWSA-N 1 1 237.293 3.102 20 30 BGEDMO C#C[C@H]([NH2+]Cc1c(F)cccc1F)C(C)(C)C ZINC000702288814 712044784 /nfs/dbraw/zinc/04/47/84/712044784.db2.gz PCAUMNQZONEUGA-ZDUSSCGKSA-N 1 1 237.293 3.102 20 30 BGEDMO C=C(Br)C[N@H+]1CCCC2(CC2)CC1 ZINC000702626741 712056409 /nfs/dbraw/zinc/05/64/09/712056409.db2.gz HITIOFQEHLIMQV-UHFFFAOYSA-N 1 1 244.176 3.161 20 30 BGEDMO C=C(Cl)C[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000703635742 712081800 /nfs/dbraw/zinc/08/18/00/712081800.db2.gz PMLHRZVPRLFMCZ-UHFFFAOYSA-N 1 1 246.137 3.191 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000703673675 711876856 /nfs/dbraw/zinc/87/68/56/711876856.db2.gz ZYSGOJPAEXZPKW-CYBMUJFWSA-N 1 1 208.349 3.192 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000703673677 711876922 /nfs/dbraw/zinc/87/69/22/711876922.db2.gz ZYSGOJPAEXZPKW-ZDUSSCGKSA-N 1 1 208.349 3.192 20 30 BGEDMO CCCCCCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000703715261 712084501 /nfs/dbraw/zinc/08/45/01/712084501.db2.gz ANAVCXDWZSTTHQ-CYBMUJFWSA-N 1 1 235.375 3.347 20 30 BGEDMO CCCCCCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000703715264 712084518 /nfs/dbraw/zinc/08/45/18/712084518.db2.gz ANAVCXDWZSTTHQ-ZDUSSCGKSA-N 1 1 235.375 3.347 20 30 BGEDMO CCCCCCCC[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000703724993 712086012 /nfs/dbraw/zinc/08/60/12/712086012.db2.gz SCFMTMZCDHEEGD-OKILXGFUSA-N 1 1 227.392 3.050 20 30 BGEDMO CCCCCCCCC[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000703752763 712085043 /nfs/dbraw/zinc/08/50/43/712085043.db2.gz MPDMCVMEUSYKSG-GASCZTMLSA-N 1 1 241.419 3.440 20 30 BGEDMO C=CCCC(C)(C)C[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000703960254 712096543 /nfs/dbraw/zinc/09/65/43/712096543.db2.gz CRUMWNMBNGVUMH-CYBMUJFWSA-N 1 1 247.386 3.369 20 30 BGEDMO C=CCCC(C)(C)C[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000703960256 712096631 /nfs/dbraw/zinc/09/66/31/712096631.db2.gz CRUMWNMBNGVUMH-ZDUSSCGKSA-N 1 1 247.386 3.369 20 30 BGEDMO C=CCCCCCCNc1[nH+]cnc2[nH]ccc21 ZINC000705207839 712124318 /nfs/dbraw/zinc/12/43/18/712124318.db2.gz MSOICYZFKNWFSZ-UHFFFAOYSA-N 1 1 244.342 3.458 20 30 BGEDMO C#C[C@H](CC)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000705574906 712133258 /nfs/dbraw/zinc/13/32/58/712133258.db2.gz XDDCJAGUJBLZPL-MRVPVSSYSA-N 1 1 243.684 3.120 20 30 BGEDMO C#C[C@@H](CC)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000705574907 712133686 /nfs/dbraw/zinc/13/36/86/712133686.db2.gz XDDCJAGUJBLZPL-QMMMGPOBSA-N 1 1 243.684 3.120 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000707152822 712166250 /nfs/dbraw/zinc/16/62/50/712166250.db2.gz RQEBKEQZJAQQMW-CYBMUJFWSA-N 1 1 227.392 3.192 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@H]1C(C)(C)O ZINC000707152823 712166206 /nfs/dbraw/zinc/16/62/06/712166206.db2.gz RQEBKEQZJAQQMW-ZDUSSCGKSA-N 1 1 227.392 3.192 20 30 BGEDMO C=CCCCCC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000707231937 712166850 /nfs/dbraw/zinc/16/68/50/712166850.db2.gz TXUDHKZKELXOEF-GFCCVEGCSA-N 1 1 241.375 3.053 20 30 BGEDMO C=CCCCCC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000707231938 712167148 /nfs/dbraw/zinc/16/71/48/712167148.db2.gz TXUDHKZKELXOEF-LBPRGKRZSA-N 1 1 241.375 3.053 20 30 BGEDMO CCCCCCC[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000708280987 712373363 /nfs/dbraw/zinc/37/33/63/712373363.db2.gz IILUIVGTYVOUEJ-KBPBESRZSA-N 1 1 227.392 3.192 20 30 BGEDMO CCCCCCC[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000708280990 712185353 /nfs/dbraw/zinc/18/53/53/712185353.db2.gz IILUIVGTYVOUEJ-KGLIPLIRSA-N 1 1 227.392 3.192 20 30 BGEDMO CCCCCCC[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000708280993 712185494 /nfs/dbraw/zinc/18/54/94/712185494.db2.gz IILUIVGTYVOUEJ-UONOGXRCSA-N 1 1 227.392 3.192 20 30 BGEDMO CCCCCCC[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000708280996 712185346 /nfs/dbraw/zinc/18/53/46/712185346.db2.gz IILUIVGTYVOUEJ-ZIAGYGMSSA-N 1 1 227.392 3.192 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000708434571 712194249 /nfs/dbraw/zinc/19/42/49/712194249.db2.gz UXFPNALFHKUFSW-CYBMUJFWSA-N 1 1 207.361 3.158 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000708434572 712194218 /nfs/dbraw/zinc/19/42/18/712194218.db2.gz UXFPNALFHKUFSW-ZDUSSCGKSA-N 1 1 207.361 3.158 20 30 BGEDMO C=CCCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708442465 712194741 /nfs/dbraw/zinc/19/47/41/712194741.db2.gz MLNQXBLUOZIGAL-UHFFFAOYSA-N 1 1 241.281 3.116 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000708717779 712197396 /nfs/dbraw/zinc/19/73/96/712197396.db2.gz CWWVMBJPDAQJMC-LLVKDONJSA-N 1 1 248.292 3.201 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000708717781 712197780 /nfs/dbraw/zinc/19/77/80/712197780.db2.gz CWWVMBJPDAQJMC-NSHDSACASA-N 1 1 248.292 3.201 20 30 BGEDMO C#CCCCCC[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000708927416 712203518 /nfs/dbraw/zinc/20/35/18/712203518.db2.gz NXFANAVKOAPPLU-GFCCVEGCSA-N 1 1 247.304 3.454 20 30 BGEDMO C#CCCCCC[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000708927419 712203815 /nfs/dbraw/zinc/20/38/15/712203815.db2.gz NXFANAVKOAPPLU-LBPRGKRZSA-N 1 1 247.304 3.454 20 30 BGEDMO C[C@@H](C[N@@H+](C)[C@@H](C)CC#N)CC(C)(C)C ZINC000709143852 712210743 /nfs/dbraw/zinc/21/07/43/712210743.db2.gz RKRUOIVUSLXFTP-NEPJUHHUSA-N 1 1 210.365 3.293 20 30 BGEDMO C[C@H](CC#N)[N@H+](C)C[C@@H](C)CC(C)(C)C ZINC000709143854 712210672 /nfs/dbraw/zinc/21/06/72/712210672.db2.gz RKRUOIVUSLXFTP-NWDGAFQWSA-N 1 1 210.365 3.293 20 30 BGEDMO C[C@H](C[N@@H+](C)[C@@H](C)CC#N)CC(C)(C)C ZINC000709143857 712210327 /nfs/dbraw/zinc/21/03/27/712210327.db2.gz RKRUOIVUSLXFTP-RYUDHWBXSA-N 1 1 210.365 3.293 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)C[C@H](C)CC(C)(C)C ZINC000709212695 712218140 /nfs/dbraw/zinc/21/81/40/712218140.db2.gz BZUQHUOGAFZFCZ-NEPJUHHUSA-N 1 1 210.365 3.150 20 30 BGEDMO C[C@H](C#N)C[N@H+](C)C[C@@H](C)CC(C)(C)C ZINC000709212696 712218116 /nfs/dbraw/zinc/21/81/16/712218116.db2.gz BZUQHUOGAFZFCZ-NWDGAFQWSA-N 1 1 210.365 3.150 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)C[C@@H](C)CC(C)(C)C ZINC000709212697 712218249 /nfs/dbraw/zinc/21/82/49/712218249.db2.gz BZUQHUOGAFZFCZ-RYUDHWBXSA-N 1 1 210.365 3.150 20 30 BGEDMO C[C@@H](C[N@@H+](C)C[C@H](C)C#N)CC(C)(C)C ZINC000709212698 712218241 /nfs/dbraw/zinc/21/82/41/712218241.db2.gz BZUQHUOGAFZFCZ-VXGBXAGGSA-N 1 1 210.365 3.150 20 30 BGEDMO CCCCCCCC[N@@H+](C[C@H](C)O)C(C)C ZINC000709421770 712221234 /nfs/dbraw/zinc/22/12/34/712221234.db2.gz LZMVMKMOAYOAOX-AWEZNQCLSA-N 1 1 229.408 3.438 20 30 BGEDMO CCCCCCCC[N@@H+](C[C@@H](C)O)C(C)C ZINC000709421772 712221315 /nfs/dbraw/zinc/22/13/15/712221315.db2.gz LZMVMKMOAYOAOX-CQSZACIVSA-N 1 1 229.408 3.438 20 30 BGEDMO C#CCCCCC[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000710766134 712256236 /nfs/dbraw/zinc/25/62/36/712256236.db2.gz LBOZKXSIJJQCQB-CYBMUJFWSA-N 1 1 248.395 3.126 20 30 BGEDMO C#CCCCCC[N@H+]1CC[C@H](c2nccs2)C1 ZINC000710766139 712256637 /nfs/dbraw/zinc/25/66/37/712256637.db2.gz LBOZKXSIJJQCQB-ZDUSSCGKSA-N 1 1 248.395 3.126 20 30 BGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](CF)C1 ZINC000711418114 712299249 /nfs/dbraw/zinc/29/92/49/712299249.db2.gz FTKGYNGZLICGNM-CYBMUJFWSA-N 1 1 240.366 3.388 20 30 BGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](CF)C1 ZINC000711418123 712299614 /nfs/dbraw/zinc/29/96/14/712299614.db2.gz FTKGYNGZLICGNM-ZDUSSCGKSA-N 1 1 240.366 3.388 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000711421304 712299143 /nfs/dbraw/zinc/29/91/43/712299143.db2.gz PGJZSFSZBMIYNB-AWEZNQCLSA-N 1 1 246.329 3.048 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](CF)C1 ZINC000711421308 712299365 /nfs/dbraw/zinc/29/93/65/712299365.db2.gz PGJZSFSZBMIYNB-CQSZACIVSA-N 1 1 246.329 3.048 20 30 BGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](CF)C2)cc1C#N ZINC000711430160 712299301 /nfs/dbraw/zinc/29/93/01/712299301.db2.gz KUXPRXOBIBBKIH-AWEZNQCLSA-N 1 1 246.329 3.048 20 30 BGEDMO Cc1ccc(C[N@H+]2CCC[C@H](CF)C2)cc1C#N ZINC000711430162 712299214 /nfs/dbraw/zinc/29/92/14/712299214.db2.gz KUXPRXOBIBBKIH-CQSZACIVSA-N 1 1 246.329 3.048 20 30 BGEDMO C[C@@H]1c2sccc2CC[N@@H+]1CC1(CC#N)CC1 ZINC000711882132 712336642 /nfs/dbraw/zinc/33/66/42/712336642.db2.gz YDOLYURWEMVBKZ-LLVKDONJSA-N 1 1 246.379 3.361 20 30 BGEDMO C[C@H]1c2sccc2CC[N@@H+]1CC1(CC#N)CC1 ZINC000711882142 712336668 /nfs/dbraw/zinc/33/66/68/712336668.db2.gz YDOLYURWEMVBKZ-NSHDSACASA-N 1 1 246.379 3.361 20 30 BGEDMO C=C/C=C\CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000713642546 712467898 /nfs/dbraw/zinc/46/78/98/712467898.db2.gz DNFGWYPYRWNNFH-PLNGDYQASA-N 1 1 226.323 3.122 20 30 BGEDMO C=C/C=C/CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000713642547 712467772 /nfs/dbraw/zinc/46/77/72/712467772.db2.gz DNFGWYPYRWNNFH-SNAWJCMRSA-N 1 1 226.323 3.122 20 30 BGEDMO C=C/C=C\CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000713647718 712468390 /nfs/dbraw/zinc/46/83/90/712468390.db2.gz VFIJGJULXHBALS-ARJAWSKDSA-N 1 1 224.307 3.006 20 30 BGEDMO C=C/C=C\CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000713647718 712468389 /nfs/dbraw/zinc/46/83/89/712468389.db2.gz VFIJGJULXHBALS-ARJAWSKDSA-N 1 1 224.307 3.006 20 30 BGEDMO C=C/C=C/CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000713647719 712468241 /nfs/dbraw/zinc/46/82/41/712468241.db2.gz VFIJGJULXHBALS-ONEGZZNKSA-N 1 1 224.307 3.006 20 30 BGEDMO C=C/C=C/CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000713647719 712468240 /nfs/dbraw/zinc/46/82/40/712468240.db2.gz VFIJGJULXHBALS-ONEGZZNKSA-N 1 1 224.307 3.006 20 30 BGEDMO N#CC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C1CCCC1 ZINC000714824156 712501242 /nfs/dbraw/zinc/50/12/42/712501242.db2.gz TYYBIFXTFSWUDT-HIFRSBDPSA-N 1 1 232.371 3.191 20 30 BGEDMO N#CC[N@H+](CC[C@@H]1C[C@H]1C1CC1)C1CCCC1 ZINC000714824156 712501239 /nfs/dbraw/zinc/50/12/39/712501239.db2.gz TYYBIFXTFSWUDT-HIFRSBDPSA-N 1 1 232.371 3.191 20 30 BGEDMO N#CC[C@@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714835883 712501255 /nfs/dbraw/zinc/50/12/55/712501255.db2.gz KEMNRTNMYFBGMM-CFVMTHIKSA-N 1 1 232.371 3.048 20 30 BGEDMO N#CC[C@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714843776 712501696 /nfs/dbraw/zinc/50/16/96/712501696.db2.gz KEMNRTNMYFBGMM-YUELXQCFSA-N 1 1 232.371 3.048 20 30 BGEDMO CCc1[nH+]c(C)cn1CCCC(C)(C)C#N ZINC000715099011 712509073 /nfs/dbraw/zinc/50/90/73/712509073.db2.gz UCRDSDAYIDQQOE-UHFFFAOYSA-N 1 1 219.332 3.084 20 30 BGEDMO CCc1[nH+]c(C)cn1CCCCC(C)(C)C#N ZINC000715114303 712509804 /nfs/dbraw/zinc/50/98/04/712509804.db2.gz BMKVPRJOCQOPFD-UHFFFAOYSA-N 1 1 233.359 3.474 20 30 BGEDMO C[N@@H+](CCCF)Cc1ccc(C#N)cc1Cl ZINC000716718386 712570748 /nfs/dbraw/zinc/57/07/48/712570748.db2.gz OZKUFJDBMYBJJF-UHFFFAOYSA-N 1 1 240.709 3.003 20 30 BGEDMO CC(F)(F)CCC[N@@H+](CC#N)C1CCCC1 ZINC000718618147 712773773 /nfs/dbraw/zinc/77/37/73/712773773.db2.gz AXQGFHSECQRONC-UHFFFAOYSA-N 1 1 230.302 3.190 20 30 BGEDMO CC(F)(F)CCC[N@H+](CC#N)C1CCCC1 ZINC000718618147 712773772 /nfs/dbraw/zinc/77/37/72/712773772.db2.gz AXQGFHSECQRONC-UHFFFAOYSA-N 1 1 230.302 3.190 20 30 BGEDMO CC(C)C[N@H+](CCC#N)CCCC(C)(F)F ZINC000718624898 712773821 /nfs/dbraw/zinc/77/38/21/712773821.db2.gz UFQRFYBSARYTAQ-UHFFFAOYSA-N 1 1 232.318 3.293 20 30 BGEDMO CC(F)(F)CCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000718629265 712773495 /nfs/dbraw/zinc/77/34/95/712773495.db2.gz IRVUPMWDGNNTCE-LLVKDONJSA-N 1 1 230.302 3.047 20 30 BGEDMO CC(F)(F)CCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000718629266 712773934 /nfs/dbraw/zinc/77/39/34/712773934.db2.gz IRVUPMWDGNNTCE-NSHDSACASA-N 1 1 230.302 3.047 20 30 BGEDMO C=CCCCCC[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719644175 712819762 /nfs/dbraw/zinc/81/97/62/712819762.db2.gz SNOPCHQBFCPEAX-AWEZNQCLSA-N 1 1 239.403 3.216 20 30 BGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719644177 712819767 /nfs/dbraw/zinc/81/97/67/712819767.db2.gz SNOPCHQBFCPEAX-CQSZACIVSA-N 1 1 239.403 3.216 20 30 BGEDMO 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KAHNGKNCXNDFCN-UHFFFAOYSA-N 1 1 213.365 3.069 20 30 BGEDMO CCCCCCCN1CCC[N@H+](C(C)C)CC1 ZINC000740875954 644561449 /nfs/dbraw/zinc/56/14/49/644561449.db2.gz JHKRTVMYRUFBKS-UHFFFAOYSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCN1CCC[N@@H+](C(C)C)CC1 ZINC000740875954 644561446 /nfs/dbraw/zinc/56/14/46/644561446.db2.gz JHKRTVMYRUFBKS-UHFFFAOYSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCC[N@H+]1CCCN(C(C)C)CC1 ZINC000740875954 644561443 /nfs/dbraw/zinc/56/14/43/644561443.db2.gz JHKRTVMYRUFBKS-UHFFFAOYSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000740876007 644562334 /nfs/dbraw/zinc/56/23/34/644562334.db2.gz MKGYFXDKHMTHJZ-AWEZNQCLSA-N 1 1 227.392 3.458 20 30 BGEDMO CCCCCCCC[N@H+]1CCCO[C@H](C)C1 ZINC000740876008 644560374 /nfs/dbraw/zinc/56/03/74/644560374.db2.gz MKGYFXDKHMTHJZ-CQSZACIVSA-N 1 1 227.392 3.458 20 30 BGEDMO CCCCCCCC[N@H+]1CCn2ccnc2C1 ZINC000740876068 644561433 /nfs/dbraw/zinc/56/14/33/644561433.db2.gz MDQJLNQIFIWRFU-UHFFFAOYSA-N 1 1 235.375 3.059 20 30 BGEDMO C#CC[N@H+](CCCCCC)Cc1ccco1 ZINC000740876155 585107364 /nfs/dbraw/zinc/10/73/64/585107364.db2.gz NXHMAPTVEMCKEU-UHFFFAOYSA-N 1 1 219.328 3.295 20 30 BGEDMO CCCCCCCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000740876301 644560450 /nfs/dbraw/zinc/56/04/50/644560450.db2.gz PXMJRCNIKSSNQW-AWEZNQCLSA-N 1 1 227.392 3.458 20 30 BGEDMO CCCCCCCC[N@@H+](C)C[C@H]1CCCO1 ZINC000740876302 644561080 /nfs/dbraw/zinc/56/10/80/644561080.db2.gz PXMJRCNIKSSNQW-CQSZACIVSA-N 1 1 227.392 3.458 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@@H](OC)C1 ZINC000740876500 644560559 /nfs/dbraw/zinc/56/05/59/644560559.db2.gz XEJXUTPXEDDUCZ-CYBMUJFWSA-N 1 1 213.365 3.068 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@H](OC)C1 ZINC000740876501 644561759 /nfs/dbraw/zinc/56/17/59/644561759.db2.gz XEJXUTPXEDDUCZ-ZDUSSCGKSA-N 1 1 213.365 3.068 20 30 BGEDMO CCCCCCC[NH2+]C(C)(C)c1noc(C)n1 ZINC000740876741 644560689 /nfs/dbraw/zinc/56/06/89/644560689.db2.gz CPBCUWMXTMZDBH-UHFFFAOYSA-N 1 1 239.363 3.173 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000740876964 644561848 /nfs/dbraw/zinc/56/18/48/644561848.db2.gz QMMDVJWPMKQTAW-HNNXBMFYSA-N 1 1 249.402 3.490 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000740876965 644560430 /nfs/dbraw/zinc/56/04/30/644560430.db2.gz QMMDVJWPMKQTAW-OAHLLOKOSA-N 1 1 249.402 3.490 20 30 BGEDMO CCCCCCCC[N@@H+](C)CCn1cccn1 ZINC000740877179 644562126 /nfs/dbraw/zinc/56/21/26/644562126.db2.gz FHRRLXJEUCZOIJ-UHFFFAOYSA-N 1 1 237.391 3.175 20 30 BGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000740877205 644561022 /nfs/dbraw/zinc/56/10/22/644561022.db2.gz GMQXVZQGVMHZAP-HNNXBMFYSA-N 1 1 238.419 3.125 20 30 BGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000740877206 644560361 /nfs/dbraw/zinc/56/03/61/644560361.db2.gz GMQXVZQGVMHZAP-OAHLLOKOSA-N 1 1 238.419 3.125 20 30 BGEDMO CCCCCCCC[N@@H+](C)Cc1cc[nH]n1 ZINC000740877471 644561585 /nfs/dbraw/zinc/56/15/85/644561585.db2.gz PPFBDMSODHUGGI-UHFFFAOYSA-N 1 1 223.364 3.202 20 30 BGEDMO CCCCCCCC[N@@H+](C)C(C)(C)C(=O)OC ZINC000740877522 644561305 /nfs/dbraw/zinc/56/13/05/644561305.db2.gz GULXEVYGPXYQHE-UHFFFAOYSA-N 1 1 243.391 3.230 20 30 BGEDMO CCCCCCC[N@@H+](CC)C[C@@H]1CCCO1 ZINC000740877778 644563332 /nfs/dbraw/zinc/56/33/32/644563332.db2.gz GWEWRKPDXBWAFD-AWEZNQCLSA-N 1 1 227.392 3.458 20 30 BGEDMO CCCCCCC[N@@H+](CC)C[C@H]1CCCO1 ZINC000740877779 644563949 /nfs/dbraw/zinc/56/39/49/644563949.db2.gz GWEWRKPDXBWAFD-CQSZACIVSA-N 1 1 227.392 3.458 20 30 BGEDMO CCCCCCC[N@@H+](CC)C[C@@H]1CCOC1 ZINC000740877952 644563710 /nfs/dbraw/zinc/56/37/10/644563710.db2.gz JIRBKVADNYBGMD-AWEZNQCLSA-N 1 1 227.392 3.315 20 30 BGEDMO CCCCCCC[N@@H+](CC)C[C@H]1CCOC1 ZINC000740877953 644564444 /nfs/dbraw/zinc/56/44/44/644564444.db2.gz JIRBKVADNYBGMD-CQSZACIVSA-N 1 1 227.392 3.315 20 30 BGEDMO CCCCCCC[N@H+]1CCOC[C@H]1CC ZINC000740878002 583977888 /nfs/dbraw/zinc/97/78/88/583977888.db2.gz MSBIOFQJVPOGGC-CYBMUJFWSA-N 1 1 213.365 3.068 20 30 BGEDMO CCCCCCC[N@H+]1CCOC[C@@H]1CC ZINC000740878003 583978369 /nfs/dbraw/zinc/97/83/69/583978369.db2.gz MSBIOFQJVPOGGC-ZDUSSCGKSA-N 1 1 213.365 3.068 20 30 BGEDMO CCCCCCCN1CC[NH+](C2CCC2)CC1 ZINC000740878168 644563444 /nfs/dbraw/zinc/56/34/44/644563444.db2.gz SJWBFMVDJPEUJW-UHFFFAOYSA-N 1 1 238.419 3.127 20 30 BGEDMO CCCCCCC[N@@H+](C)Cc1cnn(CC)c1 ZINC000740878263 644564155 /nfs/dbraw/zinc/56/41/55/644564155.db2.gz VPGNGEMYJAKGLY-UHFFFAOYSA-N 1 1 237.391 3.305 20 30 BGEDMO CCCCCCCCN1CCC[N@@H+](CC)CC1 ZINC000740878281 644563379 /nfs/dbraw/zinc/56/33/79/644563379.db2.gz XETAUTWEENGTDP-UHFFFAOYSA-N 1 1 240.435 3.375 20 30 BGEDMO CCCCCCCCN1CCC[N@H+](CC)CC1 ZINC000740878281 644563376 /nfs/dbraw/zinc/56/33/76/644563376.db2.gz XETAUTWEENGTDP-UHFFFAOYSA-N 1 1 240.435 3.375 20 30 BGEDMO CCCCCCCC[N@H+]1CCCN(CC)CC1 ZINC000740878281 644563373 /nfs/dbraw/zinc/56/33/73/644563373.db2.gz XETAUTWEENGTDP-UHFFFAOYSA-N 1 1 240.435 3.375 20 30 BGEDMO CCCCCCCC[N@@H+](C)Cc1ccon1 ZINC000740878355 583978038 /nfs/dbraw/zinc/97/80/38/583978038.db2.gz BAFBQVHTXLKQGG-UHFFFAOYSA-N 1 1 224.348 3.467 20 30 BGEDMO CCCCCCCC[N@H+](C)Cc1ccon1 ZINC000740878355 583978035 /nfs/dbraw/zinc/97/80/35/583978035.db2.gz BAFBQVHTXLKQGG-UHFFFAOYSA-N 1 1 224.348 3.467 20 30 BGEDMO CCCCCCC[N@H+]1CCCOC(C)(C)C1 ZINC000740878571 644564073 /nfs/dbraw/zinc/56/40/73/644564073.db2.gz MPYOLMQALAANTI-UHFFFAOYSA-N 1 1 227.392 3.458 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@H](COC)C1 ZINC000740878712 644564534 /nfs/dbraw/zinc/56/45/34/644564534.db2.gz UQQYQBUZMBKGBZ-AWEZNQCLSA-N 1 1 227.392 3.315 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@@H](COC)C1 ZINC000740878713 644563522 /nfs/dbraw/zinc/56/35/22/644563522.db2.gz UQQYQBUZMBKGBZ-CQSZACIVSA-N 1 1 227.392 3.315 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@H](OCC)C1 ZINC000740878718 644564554 /nfs/dbraw/zinc/56/45/54/644564554.db2.gz VCVRXOXEBZJOIN-AWEZNQCLSA-N 1 1 227.392 3.458 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@@H](OCC)C1 ZINC000740878719 644563457 /nfs/dbraw/zinc/56/34/57/644563457.db2.gz VCVRXOXEBZJOIN-CQSZACIVSA-N 1 1 227.392 3.458 20 30 BGEDMO C#CC[N@@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000740888478 585107981 /nfs/dbraw/zinc/10/79/81/585107981.db2.gz ITEZEWXEHGBXPR-AWEZNQCLSA-N 1 1 227.351 3.483 20 30 BGEDMO C#CC[N@@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000740888479 585108120 /nfs/dbraw/zinc/10/81/20/585108120.db2.gz ITEZEWXEHGBXPR-CQSZACIVSA-N 1 1 227.351 3.483 20 30 BGEDMO C#CC[N@H+](CCC)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000740889070 585107927 /nfs/dbraw/zinc/10/79/27/585107927.db2.gz ZITVMTVZBHEIJW-CABCVRRESA-N 1 1 249.398 3.069 20 30 BGEDMO C#CC[N@H+](CCC)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000740889071 585108105 /nfs/dbraw/zinc/10/81/05/585108105.db2.gz ZITVMTVZBHEIJW-GJZGRUSLSA-N 1 1 249.398 3.069 20 30 BGEDMO C#CC[N@H+](CCC)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000740889072 585108137 /nfs/dbraw/zinc/10/81/37/585108137.db2.gz ZITVMTVZBHEIJW-HUUCEWRRSA-N 1 1 249.398 3.069 20 30 BGEDMO C#CC[N@H+](CCC)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000740889073 585108090 /nfs/dbraw/zinc/10/80/90/585108090.db2.gz ZITVMTVZBHEIJW-LSDHHAIUSA-N 1 1 249.398 3.069 20 30 BGEDMO CC#CC[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000741774391 585118197 /nfs/dbraw/zinc/11/81/97/585118197.db2.gz AWYUEQMZXFOAHR-UHFFFAOYSA-N 1 1 225.335 3.107 20 30 BGEDMO C=CC[N@@H+](Cc1sc(C)nc1C)C(C)C ZINC000741776843 585118344 /nfs/dbraw/zinc/11/83/44/585118344.db2.gz HLKFFABMALLPSH-UHFFFAOYSA-N 1 1 224.373 3.156 20 30 BGEDMO CC#CC[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC000741778714 585118134 /nfs/dbraw/zinc/11/81/34/585118134.db2.gz ALZNVEUZFRIBNC-UHFFFAOYSA-N 1 1 215.340 3.067 20 30 BGEDMO C#CC[N@H+](CCSCC)C1CCCCC1 ZINC000741781203 585118560 /nfs/dbraw/zinc/11/85/60/585118560.db2.gz MANOMFRDJKWBLC-UHFFFAOYSA-N 1 1 225.401 3.007 20 30 BGEDMO CC#CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000741785927 585119058 /nfs/dbraw/zinc/11/90/58/585119058.db2.gz URYLNEQUUQGHSW-UHFFFAOYSA-N 1 1 243.350 3.160 20 30 BGEDMO CC#CC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000741787205 585119228 /nfs/dbraw/zinc/11/92/28/585119228.db2.gz IIJHRCSSPKIGNY-AWEZNQCLSA-N 1 1 235.277 3.125 20 30 BGEDMO CC#CC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000741787205 585119227 /nfs/dbraw/zinc/11/92/27/585119227.db2.gz IIJHRCSSPKIGNY-AWEZNQCLSA-N 1 1 235.277 3.125 20 30 BGEDMO CC#CC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000741787206 585118921 /nfs/dbraw/zinc/11/89/21/585118921.db2.gz IIJHRCSSPKIGNY-CQSZACIVSA-N 1 1 235.277 3.125 20 30 BGEDMO CC#CC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000741787206 585118920 /nfs/dbraw/zinc/11/89/20/585118920.db2.gz IIJHRCSSPKIGNY-CQSZACIVSA-N 1 1 235.277 3.125 20 30 BGEDMO C#CC[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000741794513 585119757 /nfs/dbraw/zinc/11/97/57/585119757.db2.gz REXPCYLYASJDNL-HNNXBMFYSA-N 1 1 213.324 3.074 20 30 BGEDMO C#CC[N@@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000741794514 585119393 /nfs/dbraw/zinc/11/93/93/585119393.db2.gz REXPCYLYASJDNL-OAHLLOKOSA-N 1 1 213.324 3.074 20 30 BGEDMO C#CC[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000741795256 585119402 /nfs/dbraw/zinc/11/94/02/585119402.db2.gz XSQHBNXBXDDOCB-HNNXBMFYSA-N 1 1 213.324 3.155 20 30 BGEDMO C#CC[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000741795257 585119612 /nfs/dbraw/zinc/11/96/12/585119612.db2.gz XSQHBNXBXDDOCB-OAHLLOKOSA-N 1 1 213.324 3.155 20 30 BGEDMO C=C(Cl)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000741807707 585119899 /nfs/dbraw/zinc/11/98/99/585119899.db2.gz ZDOAAYBPADEODW-AWEZNQCLSA-N 1 1 235.758 3.304 20 30 BGEDMO C=C(Cl)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000741807716 585119803 /nfs/dbraw/zinc/11/98/03/585119803.db2.gz ZDOAAYBPADEODW-CQSZACIVSA-N 1 1 235.758 3.304 20 30 BGEDMO C=C(Cl)C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000741808629 585119932 /nfs/dbraw/zinc/11/99/32/585119932.db2.gz AXGIKRNNNCJNBG-LLVKDONJSA-N 1 1 221.731 3.186 20 30 BGEDMO C=C(Cl)C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000741808629 585119931 /nfs/dbraw/zinc/11/99/31/585119931.db2.gz AXGIKRNNNCJNBG-LLVKDONJSA-N 1 1 221.731 3.186 20 30 BGEDMO C=C(Cl)C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000741808630 585119927 /nfs/dbraw/zinc/11/99/27/585119927.db2.gz AXGIKRNNNCJNBG-NSHDSACASA-N 1 1 221.731 3.186 20 30 BGEDMO C=C(Cl)C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000741808630 585119926 /nfs/dbraw/zinc/11/99/26/585119926.db2.gz AXGIKRNNNCJNBG-NSHDSACASA-N 1 1 221.731 3.186 20 30 BGEDMO C#CCCCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000742422717 585126062 /nfs/dbraw/zinc/12/60/62/585126062.db2.gz ALZAIGWEFXPTLS-UHFFFAOYSA-N 1 1 244.725 3.135 20 30 BGEDMO C=CC[N@@H+](Cc1ccncc1Cl)C(C)C ZINC000743840897 585140546 /nfs/dbraw/zinc/14/05/46/585140546.db2.gz LRMWDYKKKUHSNN-UHFFFAOYSA-N 1 1 224.735 3.131 20 30 BGEDMO C=CC[N@H+](Cc1ccncc1Cl)C(C)C ZINC000743840897 585140545 /nfs/dbraw/zinc/14/05/45/585140545.db2.gz LRMWDYKKKUHSNN-UHFFFAOYSA-N 1 1 224.735 3.131 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1N(C)C)C(C)C ZINC000743841058 585140226 /nfs/dbraw/zinc/14/02/26/585140226.db2.gz OOXGAYNADCSHCP-UHFFFAOYSA-N 1 1 232.371 3.149 20 30 BGEDMO C=CC[N@@H+](Cc1cccc(Cl)n1)C(C)C ZINC000743841136 585140145 /nfs/dbraw/zinc/14/01/45/585140145.db2.gz GBMOVHXVINCSBQ-UHFFFAOYSA-N 1 1 224.735 3.131 20 30 BGEDMO C=CC[N@@H+](Cc1cccc(N(C)C)c1)C(C)C ZINC000743841284 585140187 /nfs/dbraw/zinc/14/01/87/585140187.db2.gz RSUCVOZNUXVPCW-UHFFFAOYSA-N 1 1 232.371 3.149 20 30 BGEDMO C=CC[N@H+](CCc1ccc2c(c1)CCO2)C(C)C ZINC000743841312 585140168 /nfs/dbraw/zinc/14/01/68/585140168.db2.gz HWQGDODOZWBNHN-UHFFFAOYSA-N 1 1 245.366 3.060 20 30 BGEDMO C#CC[N@@H+](CCC1CC1)C1CCCCC1 ZINC000743842057 585140416 /nfs/dbraw/zinc/14/04/16/585140416.db2.gz ARPGVXIDQLFZCS-UHFFFAOYSA-N 1 1 205.345 3.054 20 30 BGEDMO C#CC[N@@H+](CC1CCC1)C1CCCCC1 ZINC000743842075 585140152 /nfs/dbraw/zinc/14/01/52/585140152.db2.gz BERUCHDCVRFMSW-UHFFFAOYSA-N 1 1 205.345 3.054 20 30 BGEDMO C#CC[N@H+](CCC1CC1)Cc1ccc(F)cc1 ZINC000743842491 585140571 /nfs/dbraw/zinc/14/05/71/585140571.db2.gz FFXSXSLKANZFTR-UHFFFAOYSA-N 1 1 231.314 3.061 20 30 BGEDMO C#CC[N@H+](Cc1ccc(F)cc1)CC1CCC1 ZINC000743842794 585140428 /nfs/dbraw/zinc/14/04/28/585140428.db2.gz JOTNXDYFIVJMTJ-UHFFFAOYSA-N 1 1 231.314 3.061 20 30 BGEDMO C#CC[N@H+](CCCSC)C1CCCCC1 ZINC000743843349 585140569 /nfs/dbraw/zinc/14/05/69/585140569.db2.gz XCWQEGUPPYVZSX-UHFFFAOYSA-N 1 1 225.401 3.007 20 30 BGEDMO C#CC[N@H+](CC#CC)Cc1ccc2ccccc2c1 ZINC000743854937 585141069 /nfs/dbraw/zinc/14/10/69/585141069.db2.gz UOQWFMKRNYGUDK-UHFFFAOYSA-N 1 1 247.341 3.298 20 30 BGEDMO C#CC[N@@H+](CC#CC)Cc1ccc2ccccc2c1 ZINC000743854937 585141068 /nfs/dbraw/zinc/14/10/68/585141068.db2.gz UOQWFMKRNYGUDK-UHFFFAOYSA-N 1 1 247.341 3.298 20 30 BGEDMO C#CC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000743856263 585141199 /nfs/dbraw/zinc/14/11/99/585141199.db2.gz AGFXLRDTXDJKGA-CVEARBPZSA-N 1 1 227.351 3.196 20 30 BGEDMO C#CC[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000743856264 585141272 /nfs/dbraw/zinc/14/12/72/585141272.db2.gz AGFXLRDTXDJKGA-HOTGVXAUSA-N 1 1 227.351 3.196 20 30 BGEDMO C#CC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000743856265 585141174 /nfs/dbraw/zinc/14/11/74/585141174.db2.gz AGFXLRDTXDJKGA-HZPDHXFCSA-N 1 1 227.351 3.196 20 30 BGEDMO C#CC[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000743856266 585141172 /nfs/dbraw/zinc/14/11/72/585141172.db2.gz AGFXLRDTXDJKGA-JKSUJKDBSA-N 1 1 227.351 3.196 20 30 BGEDMO C#CC[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000743856993 585141058 /nfs/dbraw/zinc/14/10/58/585141058.db2.gz RACLZMRWEQACBM-GOSISDBHSA-N 1 1 247.341 3.419 20 30 BGEDMO C#CC[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000743856994 585141380 /nfs/dbraw/zinc/14/13/80/585141380.db2.gz RACLZMRWEQACBM-SFHVURJKSA-N 1 1 247.341 3.419 20 30 BGEDMO C#CC[N@H+](CC)[C@@H](CC)Cc1ccc(C)cc1 ZINC000743857316 585141081 /nfs/dbraw/zinc/14/10/81/585141081.db2.gz POUNCAHWWLFYGI-INIZCTEOSA-N 1 1 229.367 3.271 20 30 BGEDMO C#CC[N@H+](CC)[C@H](CC)Cc1ccc(C)cc1 ZINC000743857317 585141077 /nfs/dbraw/zinc/14/10/77/585141077.db2.gz POUNCAHWWLFYGI-MRXNPFEDSA-N 1 1 229.367 3.271 20 30 BGEDMO C#CC[N@H+]1CCCC2(C1)CCCCCC2 ZINC000743860125 585141504 /nfs/dbraw/zinc/14/15/04/585141504.db2.gz PPMYOMPCWHNILE-UHFFFAOYSA-N 1 1 205.345 3.056 20 30 BGEDMO C#CC[N@@H+]1CCCC[C@H]1c1cccc(C)c1C ZINC000743862215 585141161 /nfs/dbraw/zinc/14/11/61/585141161.db2.gz FECILMOGQSGJCL-INIZCTEOSA-N 1 1 227.351 3.464 20 30 BGEDMO C#CC[N@@H+]1CCCC[C@@H]1c1cccc(C)c1C ZINC000743862216 585141404 /nfs/dbraw/zinc/14/14/04/585141404.db2.gz FECILMOGQSGJCL-MRXNPFEDSA-N 1 1 227.351 3.464 20 30 BGEDMO C#CC[N@H+](CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000743869110 585141811 /nfs/dbraw/zinc/14/18/11/585141811.db2.gz LCEKQLKZLZVUJM-INIZCTEOSA-N 1 1 247.357 3.348 20 30 BGEDMO C#CC[N@H+](CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000743869111 585141815 /nfs/dbraw/zinc/14/18/15/585141815.db2.gz LCEKQLKZLZVUJM-MRXNPFEDSA-N 1 1 247.357 3.348 20 30 BGEDMO C#CC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000743871976 585141617 /nfs/dbraw/zinc/14/16/17/585141617.db2.gz GKWIIAHXQOIYAA-GXTWGEPZSA-N 1 1 231.339 3.248 20 30 BGEDMO C#CC[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(CC)o1 ZINC000743871977 585141620 /nfs/dbraw/zinc/14/16/20/585141620.db2.gz GKWIIAHXQOIYAA-JSGCOSHPSA-N 1 1 231.339 3.248 20 30 BGEDMO C#CC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(CC)o1 ZINC000743871978 585141674 /nfs/dbraw/zinc/14/16/74/585141674.db2.gz GKWIIAHXQOIYAA-OCCSQVGLSA-N 1 1 231.339 3.248 20 30 BGEDMO C#CC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000743872079 585141726 /nfs/dbraw/zinc/14/17/26/585141726.db2.gz GKWIIAHXQOIYAA-TZMCWYRMSA-N 1 1 231.339 3.248 20 30 BGEDMO C#CC[N@H+](CCC(C)C)Cc1ccc(F)cc1 ZINC000744208810 585146352 /nfs/dbraw/zinc/14/63/52/585146352.db2.gz KOOCQKFOYYSAII-UHFFFAOYSA-N 1 1 233.330 3.307 20 30 BGEDMO C#CC[N@H+](CCC(C)C)C1CCCCC1 ZINC000744213818 585146277 /nfs/dbraw/zinc/14/62/77/585146277.db2.gz IQVMRLGARZCYQW-UHFFFAOYSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CC[N@@H+](CCC1CC1)[C@H]1CCc2ccccc21 ZINC000744388165 585149755 /nfs/dbraw/zinc/14/97/55/585149755.db2.gz NEYZBLWHNZIWSM-KRWDZBQOSA-N 1 1 239.362 3.409 20 30 BGEDMO C#CC[N@@H+](CCC1CC1)[C@@H]1CCc2ccccc21 ZINC000744388166 585149949 /nfs/dbraw/zinc/14/99/49/585149949.db2.gz NEYZBLWHNZIWSM-QGZVFWFLSA-N 1 1 239.362 3.409 20 30 BGEDMO C#CC[N@@H+](CC1CCC1)[C@H]1CCc2ccccc21 ZINC000744388710 585150049 /nfs/dbraw/zinc/15/00/49/585150049.db2.gz TWUMLVNCMDDWIA-KRWDZBQOSA-N 1 1 239.362 3.409 20 30 BGEDMO C#CC[N@@H+](CC1CCC1)[C@@H]1CCc2ccccc21 ZINC000744388713 585149831 /nfs/dbraw/zinc/14/98/31/585149831.db2.gz TWUMLVNCMDDWIA-QGZVFWFLSA-N 1 1 239.362 3.409 20 30 BGEDMO CC(C)CC[N@@H+](CCC#N)C[Si](C)(C)C ZINC000744405144 585149857 /nfs/dbraw/zinc/14/98/57/585149857.db2.gz CQULFZFSAZUYLL-UHFFFAOYSA-N 1 1 226.440 3.126 20 30 BGEDMO CCCCCCC[N@H+]1CCC2(C1)CCOCC2 ZINC000744428374 585150512 /nfs/dbraw/zinc/15/05/12/585150512.db2.gz JTBQJTNJLRNQTC-UHFFFAOYSA-N 1 1 239.403 3.459 20 30 BGEDMO C#CC[N@@H+](CC1CCCC1)C1CCCCC1 ZINC000744739159 585152550 /nfs/dbraw/zinc/15/25/50/585152550.db2.gz JRVSGXFCGHWASS-UHFFFAOYSA-N 1 1 219.372 3.445 20 30 BGEDMO C=CC[N@@H+](C/C=C\Cl)CCc1ccccc1 ZINC000744739272 585152624 /nfs/dbraw/zinc/15/26/24/585152624.db2.gz QXZQGKABWCZWJR-POHAHGRESA-N 1 1 235.758 3.470 20 30 BGEDMO C#CC[N@H+](C/C=C\Cl)C1CCCCC1 ZINC000744739399 585152686 /nfs/dbraw/zinc/15/26/86/585152686.db2.gz ZQZZBBHNRVZUIJ-TWGQIWQCSA-N 1 1 211.736 3.007 20 30 BGEDMO C=CC[N@H+](C/C=C\Cl)Cc1cccc(C#N)c1 ZINC000745260694 585158092 /nfs/dbraw/zinc/15/80/92/585158092.db2.gz FNPGQWRMQZWETL-DAXSKMNVSA-N 1 1 246.741 3.299 20 30 BGEDMO C=CC[N@@H+](C/C=C\Cl)Cc1cccc(C#N)c1 ZINC000745260694 585158091 /nfs/dbraw/zinc/15/80/91/585158091.db2.gz FNPGQWRMQZWETL-DAXSKMNVSA-N 1 1 246.741 3.299 20 30 BGEDMO C#CC[N@H+](Cc1cccc(C)n1)C1CCCCC1 ZINC000745983680 585162451 /nfs/dbraw/zinc/16/24/51/585162451.db2.gz DESSFYNYMVNZGQ-UHFFFAOYSA-N 1 1 242.366 3.158 20 30 BGEDMO CCCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000745986815 585162410 /nfs/dbraw/zinc/16/24/10/585162410.db2.gz FSAPLVRRINYAAM-OKILXGFUSA-N 1 1 225.376 3.210 20 30 BGEDMO C#CC[N@H+](Cc1c(C)cc(C)cc1C)C1CC1 ZINC000746114411 585163154 /nfs/dbraw/zinc/16/31/54/585163154.db2.gz GSKRZZFQGBYHJA-UHFFFAOYSA-N 1 1 227.351 3.209 20 30 BGEDMO C#CC[N@@H+](Cc1cccc2ccccc21)C1CC1 ZINC000746114520 585163214 /nfs/dbraw/zinc/16/32/14/585163214.db2.gz MFKPIZCYAIXKRB-UHFFFAOYSA-N 1 1 235.330 3.437 20 30 BGEDMO C=C(C)C[N@@H+](CCc1ccccc1)C1CC1 ZINC000746119552 585163570 /nfs/dbraw/zinc/16/35/70/585163570.db2.gz ZEWPSORBFRIONH-UHFFFAOYSA-N 1 1 215.340 3.270 20 30 BGEDMO C=CC[N@H+](Cc1ccc(OC)c(OC)c1)C(C)C ZINC000746136886 585163821 /nfs/dbraw/zinc/16/38/21/585163821.db2.gz KZDWBSFWMXSILY-UHFFFAOYSA-N 1 1 249.354 3.100 20 30 BGEDMO C#CC[N@H+](C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000746138403 585163619 /nfs/dbraw/zinc/16/36/19/585163619.db2.gz FCRYIVZERFUOJI-CYBMUJFWSA-N 1 1 215.340 3.436 20 30 BGEDMO C#CC[N@H+](C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000746138405 585163741 /nfs/dbraw/zinc/16/37/41/585163741.db2.gz FCRYIVZERFUOJI-ZDUSSCGKSA-N 1 1 215.340 3.436 20 30 BGEDMO C#CC[N@H+](CC)[C@H](C)c1cccc(Cl)c1 ZINC000746138855 585163919 /nfs/dbraw/zinc/16/39/19/585163919.db2.gz VYWYBGINKLLLER-LLVKDONJSA-N 1 1 221.731 3.356 20 30 BGEDMO C#CC[N@H+](CC)[C@@H](C)c1cccc(Cl)c1 ZINC000746138858 585163717 /nfs/dbraw/zinc/16/37/17/585163717.db2.gz VYWYBGINKLLLER-NSHDSACASA-N 1 1 221.731 3.356 20 30 BGEDMO C#CC[N@H+](CC)Cc1cccc(C(F)(F)F)c1 ZINC000746140068 585163801 /nfs/dbraw/zinc/16/38/01/585163801.db2.gz PJZGLDZIWNEUFD-UHFFFAOYSA-N 1 1 241.256 3.161 20 30 BGEDMO C#CC[N@@H+](Cc1ccco1)C1CCCCC1 ZINC000746141062 585163661 /nfs/dbraw/zinc/16/36/61/585163661.db2.gz QORZMCCZXCYKLE-UHFFFAOYSA-N 1 1 217.312 3.048 20 30 BGEDMO C#CC[N@@H+](Cc1ccccc1Cl)C(C)C ZINC000746141064 585163736 /nfs/dbraw/zinc/16/37/36/585163736.db2.gz QSICFRUEARVJES-UHFFFAOYSA-N 1 1 221.731 3.184 20 30 BGEDMO C#CC[N@H+](Cc1ccccc1Cl)C(C)C ZINC000746141064 585163735 /nfs/dbraw/zinc/16/37/35/585163735.db2.gz QSICFRUEARVJES-UHFFFAOYSA-N 1 1 221.731 3.184 20 30 BGEDMO C#CC[N@H+](CC)[C@@H](CC)c1ccccc1 ZINC000746143102 585163906 /nfs/dbraw/zinc/16/39/06/585163906.db2.gz BVKKTVNDLMRVLE-AWEZNQCLSA-N 1 1 201.313 3.093 20 30 BGEDMO C#CC[N@H+](CC)[C@H](CC)c1ccccc1 ZINC000746143105 585162979 /nfs/dbraw/zinc/16/29/79/585162979.db2.gz BVKKTVNDLMRVLE-CQSZACIVSA-N 1 1 201.313 3.093 20 30 BGEDMO C#CC[N@H+](CC)Cc1ccccc1C(F)(F)F ZINC000746143483 585163642 /nfs/dbraw/zinc/16/36/42/585163642.db2.gz ILCOHKITIFAZIP-UHFFFAOYSA-N 1 1 241.256 3.161 20 30 BGEDMO C#CC[N@H+](CC)[C@H](C)c1ccc(Cl)cc1 ZINC000746144039 585163657 /nfs/dbraw/zinc/16/36/57/585163657.db2.gz JNBZVTDRWARLKX-LLVKDONJSA-N 1 1 221.731 3.356 20 30 BGEDMO C#CC[N@H+](CC)[C@@H](C)c1ccc(Cl)cc1 ZINC000746144040 585163764 /nfs/dbraw/zinc/16/37/64/585163764.db2.gz JNBZVTDRWARLKX-NSHDSACASA-N 1 1 221.731 3.356 20 30 BGEDMO C#CC[N@H+](CC)[C@H](C)c1ccccc1Cl ZINC000746144866 585163612 /nfs/dbraw/zinc/16/36/12/585163612.db2.gz OHHNWAFBYKHEDJ-LLVKDONJSA-N 1 1 221.731 3.356 20 30 BGEDMO C#CC[N@@H+](CC)[C@H](C)c1ccccc1Cl ZINC000746144866 585163611 /nfs/dbraw/zinc/16/36/11/585163611.db2.gz OHHNWAFBYKHEDJ-LLVKDONJSA-N 1 1 221.731 3.356 20 30 BGEDMO C#CC[N@H+](CC)[C@@H](C)c1ccccc1Cl ZINC000746144868 585163761 /nfs/dbraw/zinc/16/37/61/585163761.db2.gz OHHNWAFBYKHEDJ-NSHDSACASA-N 1 1 221.731 3.356 20 30 BGEDMO C#CC[N@@H+](CC)[C@@H](C)c1ccccc1Cl ZINC000746144868 585163760 /nfs/dbraw/zinc/16/37/60/585163760.db2.gz OHHNWAFBYKHEDJ-NSHDSACASA-N 1 1 221.731 3.356 20 30 BGEDMO C#CC[N@H+](CC)[C@@H](CC)c1ccc(F)cc1 ZINC000746145258 585163768 /nfs/dbraw/zinc/16/37/68/585163768.db2.gz STWYJHGZALBUSS-AWEZNQCLSA-N 1 1 219.303 3.232 20 30 BGEDMO C#CC[N@H+](CC)[C@H](CC)c1ccc(F)cc1 ZINC000746145262 585163020 /nfs/dbraw/zinc/16/30/20/585163020.db2.gz STWYJHGZALBUSS-CQSZACIVSA-N 1 1 219.303 3.232 20 30 BGEDMO C#CC[N@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000746145314 585163934 /nfs/dbraw/zinc/16/39/34/585163934.db2.gz USQHQSGGCWYIBD-UHFFFAOYSA-N 1 1 241.256 3.161 20 30 BGEDMO C#CC[N@H+](CCC)[C@@H](CC)c1ccccc1 ZINC000746145462 585163871 /nfs/dbraw/zinc/16/38/71/585163871.db2.gz NMHGXKFNWKDLQC-HNNXBMFYSA-N 1 1 215.340 3.483 20 30 BGEDMO C#CC[N@H+](CC)[C@H](C)c1ccccc1C ZINC000746145621 585163673 /nfs/dbraw/zinc/16/36/73/585163673.db2.gz ZBRIUEXYFXKRGH-CYBMUJFWSA-N 1 1 201.313 3.011 20 30 BGEDMO C#CC[N@H+](CC)[C@@H](C)c1ccccc1C ZINC000746145622 585163793 /nfs/dbraw/zinc/16/37/93/585163793.db2.gz ZBRIUEXYFXKRGH-ZDUSSCGKSA-N 1 1 201.313 3.011 20 30 BGEDMO C#CC[N@H+](CCC)[C@H](CC)c1ccccc1 ZINC000746145740 585163609 /nfs/dbraw/zinc/16/36/09/585163609.db2.gz NMHGXKFNWKDLQC-OAHLLOKOSA-N 1 1 215.340 3.483 20 30 BGEDMO C#CC[N@H+](CCC)[C@H](C)c1ccccc1OC ZINC000746145922 585163706 /nfs/dbraw/zinc/16/37/06/585163706.db2.gz WDAJRTKXTXENFK-CYBMUJFWSA-N 1 1 231.339 3.101 20 30 BGEDMO C#CC[N@H+](CCC)[C@@H](C)c1ccccc1OC ZINC000746145923 585163830 /nfs/dbraw/zinc/16/38/30/585163830.db2.gz WDAJRTKXTXENFK-ZDUSSCGKSA-N 1 1 231.339 3.101 20 30 BGEDMO C#CC[N@@H+](Cc1ccc(C)cc1C)C(C)C ZINC000746146354 585163578 /nfs/dbraw/zinc/16/35/78/585163578.db2.gz APQFYKHMVXPTOP-UHFFFAOYSA-N 1 1 215.340 3.147 20 30 BGEDMO C=CC[N@@H+](Cc1ccc(F)cc1F)C(C)C ZINC000746147732 585163730 /nfs/dbraw/zinc/16/37/30/585163730.db2.gz QKYPOBQIEASEAO-UHFFFAOYSA-N 1 1 225.282 3.361 20 30 BGEDMO C#CC[N@H+](CCCC)[C@@H](C)c1ccccc1 ZINC000746147962 585163649 /nfs/dbraw/zinc/16/36/49/585163649.db2.gz QXOHSMTVGMRSJM-AWEZNQCLSA-N 1 1 215.340 3.483 20 30 BGEDMO C#CC[N@H+](CCCC)[C@H](C)c1ccccc1 ZINC000746147964 585163596 /nfs/dbraw/zinc/16/35/96/585163596.db2.gz QXOHSMTVGMRSJM-CQSZACIVSA-N 1 1 215.340 3.483 20 30 BGEDMO C=CC[N@H+](Cc1ccc(OC)cc1OC)C(C)C ZINC000746148175 585163668 /nfs/dbraw/zinc/16/36/68/585163668.db2.gz UQWOTYDSXVWPOJ-UHFFFAOYSA-N 1 1 249.354 3.100 20 30 BGEDMO C#CC[N@@H+](Cc1cccc(C)c1)CC(C)C ZINC000746152442 585164236 /nfs/dbraw/zinc/16/42/36/585164236.db2.gz CPYLVANGOWXYCR-UHFFFAOYSA-N 1 1 215.340 3.086 20 30 BGEDMO C=CC[N@H+](Cc1ccccc1OC)C(C)C ZINC000746152715 585164073 /nfs/dbraw/zinc/16/40/73/585164073.db2.gz BIZMSFNRVRRRTC-UHFFFAOYSA-N 1 1 219.328 3.092 20 30 BGEDMO C=CC[N@H+](Cc1cc(OC)cc(OC)c1)C(C)C ZINC000746154774 585164092 /nfs/dbraw/zinc/16/40/92/585164092.db2.gz PAAWOXIYCSYOSI-UHFFFAOYSA-N 1 1 249.354 3.100 20 30 BGEDMO C#CC[N@H+](Cc1ccc(CC)cc1)C(C)C ZINC000746154873 585164120 /nfs/dbraw/zinc/16/41/20/585164120.db2.gz QYNJVNMIDDGLEC-UHFFFAOYSA-N 1 1 215.340 3.093 20 30 BGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)CC ZINC000746155126 585164244 /nfs/dbraw/zinc/16/42/44/585164244.db2.gz YARWGEDKVPSKSH-GFCCVEGCSA-N 1 1 219.303 3.059 20 30 BGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)CC ZINC000746155127 585164060 /nfs/dbraw/zinc/16/40/60/585164060.db2.gz YARWGEDKVPSKSH-LBPRGKRZSA-N 1 1 219.303 3.059 20 30 BGEDMO C=CC[N@H+](Cc1cccc(OC)c1OC)C(C)C ZINC000746155229 585164201 /nfs/dbraw/zinc/16/42/01/585164201.db2.gz VEKUISMWAKSZNA-UHFFFAOYSA-N 1 1 249.354 3.100 20 30 BGEDMO C#CC[N@H+](CCC(C)C)Cc1ccccc1 ZINC000746155868 585164198 /nfs/dbraw/zinc/16/41/98/585164198.db2.gz BBPLBBLFIPOWRO-UHFFFAOYSA-N 1 1 215.340 3.168 20 30 BGEDMO C#CC[N@@H+](Cc1cccs1)Cc1ccccc1 ZINC000746155934 585164034 /nfs/dbraw/zinc/16/40/34/585164034.db2.gz FGUSPGZGWFJYOM-UHFFFAOYSA-N 1 1 241.359 3.384 20 30 BGEDMO C#CC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000746156725 585164262 /nfs/dbraw/zinc/16/42/62/585164262.db2.gz DMSLNQQUCDYOKL-UHFFFAOYSA-N 1 1 227.351 3.107 20 30 BGEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)CCC ZINC000746156738 585164221 /nfs/dbraw/zinc/16/42/21/585164221.db2.gz MXDRHTYJOPWJDZ-AWEZNQCLSA-N 1 1 215.340 3.310 20 30 BGEDMO C#CC[N@@H+](Cc1ccccc1)[C@H](C)CCC ZINC000746156740 585164068 /nfs/dbraw/zinc/16/40/68/585164068.db2.gz MXDRHTYJOPWJDZ-CQSZACIVSA-N 1 1 215.340 3.310 20 30 BGEDMO C#CC[N@H+](Cc1ccc(C)cc1)C1CCCC1 ZINC000746156958 585164196 /nfs/dbraw/zinc/16/41/96/585164196.db2.gz GPZHKIHBTXTLGP-UHFFFAOYSA-N 1 1 227.351 3.373 20 30 BGEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(C)C ZINC000746157310 585164111 /nfs/dbraw/zinc/16/41/11/585164111.db2.gz RIMJDBLRZWVRAI-AWEZNQCLSA-N 1 1 215.340 3.166 20 30 BGEDMO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(C)C ZINC000746157313 585164232 /nfs/dbraw/zinc/16/42/32/585164232.db2.gz RIMJDBLRZWVRAI-CQSZACIVSA-N 1 1 215.340 3.166 20 30 BGEDMO C#CC[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000746160134 585164210 /nfs/dbraw/zinc/16/42/10/585164210.db2.gz PTCHBVDJJUVDRI-UHFFFAOYSA-N 1 1 245.341 3.246 20 30 BGEDMO C#CC[N@H+](CCCC)[C@H](C)c1ccc(C)o1 ZINC000746164778 585164307 /nfs/dbraw/zinc/16/43/07/585164307.db2.gz BWOATGTYGFKMQU-CYBMUJFWSA-N 1 1 219.328 3.384 20 30 BGEDMO C#CC[N@H+](CCCC)[C@@H](C)c1ccc(C)o1 ZINC000746164780 585164449 /nfs/dbraw/zinc/16/44/49/585164449.db2.gz BWOATGTYGFKMQU-ZDUSSCGKSA-N 1 1 219.328 3.384 20 30 BGEDMO C#CC[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000746167876 585164282 /nfs/dbraw/zinc/16/42/82/585164282.db2.gz BRZKKLJKQFHERM-UHFFFAOYSA-N 1 1 245.341 3.246 20 30 BGEDMO C=CC[N@H+](CCc1cccs1)C(C)C ZINC000746168005 585164367 /nfs/dbraw/zinc/16/43/67/585164367.db2.gz LEFDXJHMWZSUMY-UHFFFAOYSA-N 1 1 209.358 3.187 20 30 BGEDMO C=CC[N@H+](CCc1ccccc1F)C(C)C ZINC000746170212 585164374 /nfs/dbraw/zinc/16/43/74/585164374.db2.gz QXUYCBCFPWZSPP-UHFFFAOYSA-N 1 1 221.319 3.265 20 30 BGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(C)C ZINC000746170627 585164501 /nfs/dbraw/zinc/16/45/01/585164501.db2.gz WMHJZMZAVYGYBH-CYBMUJFWSA-N 1 1 233.330 3.305 20 30 BGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(C)C ZINC000746170629 585164494 /nfs/dbraw/zinc/16/44/94/585164494.db2.gz WMHJZMZAVYGYBH-ZDUSSCGKSA-N 1 1 233.330 3.305 20 30 BGEDMO CC(C)C[N@@H+](CCC#N)CCc1ccccc1F ZINC000746170716 585164287 /nfs/dbraw/zinc/16/42/87/585164287.db2.gz ZVOKWPQBHGILLM-UHFFFAOYSA-N 1 1 248.345 3.240 20 30 BGEDMO C=CC[N@@H+](CC#Cc1ccc(F)cc1)C(C)C ZINC000746449886 585168097 /nfs/dbraw/zinc/16/80/97/585168097.db2.gz JZJPDKBGMDNYQN-UHFFFAOYSA-N 1 1 231.314 3.074 20 30 BGEDMO C#CC[N@H+](Cc1ccc(C)cn1)C1CCCCC1 ZINC000746451027 585168010 /nfs/dbraw/zinc/16/80/10/585168010.db2.gz RRSUGBRAFZAVAJ-UHFFFAOYSA-N 1 1 242.366 3.158 20 30 BGEDMO C#CC[N@H+](Cc1cnccc1C)C1CCCCC1 ZINC000746451078 585168159 /nfs/dbraw/zinc/16/81/59/585168159.db2.gz VVUUUGQSPINVHZ-UHFFFAOYSA-N 1 1 242.366 3.158 20 30 BGEDMO C#CC[N@H+](CC)[C@H]1CCCc2ccccc21 ZINC000746456829 585168290 /nfs/dbraw/zinc/16/82/90/585168290.db2.gz MNVIVDRDYHXLSD-HNNXBMFYSA-N 1 1 213.324 3.019 20 30 BGEDMO C#CC[N@H+](CC)[C@@H]1CCCc2ccccc21 ZINC000746456830 585168350 /nfs/dbraw/zinc/16/83/50/585168350.db2.gz MNVIVDRDYHXLSD-OAHLLOKOSA-N 1 1 213.324 3.019 20 30 BGEDMO C#CC[N@@H+](CC)CCc1ccc2ccccc2c1 ZINC000746456843 585168430 /nfs/dbraw/zinc/16/84/30/585168430.db2.gz NFMWQVVPQFCTLC-UHFFFAOYSA-N 1 1 237.346 3.337 20 30 BGEDMO C#CC[N@@H+](CC)CCCc1ccc(Cl)cc1 ZINC000746456890 585168198 /nfs/dbraw/zinc/16/81/98/585168198.db2.gz QBDUDODNPCMONJ-UHFFFAOYSA-N 1 1 235.758 3.228 20 30 BGEDMO C#CC[N@H+](CC)[C@@H](CC)c1ccc(F)cc1F ZINC000746457623 585168326 /nfs/dbraw/zinc/16/83/26/585168326.db2.gz NIZHPOPJBOYORP-AWEZNQCLSA-N 1 1 237.293 3.371 20 30 BGEDMO C#CC[N@H+](CC)[C@H](CC)c1ccc(F)cc1F ZINC000746457624 585168192 /nfs/dbraw/zinc/16/81/92/585168192.db2.gz NIZHPOPJBOYORP-CQSZACIVSA-N 1 1 237.293 3.371 20 30 BGEDMO C#CC[N@H+](CC)Cc1csc2ccccc12 ZINC000746457838 585168364 /nfs/dbraw/zinc/16/83/64/585168364.db2.gz RLGQQHRDRKCLHK-UHFFFAOYSA-N 1 1 229.348 3.356 20 30 BGEDMO C#CC[N@H+](CC)Cc1ccccc1OCC(C)C ZINC000746457944 585168449 /nfs/dbraw/zinc/16/84/49/585168449.db2.gz WAXINQZSQRGLCR-UHFFFAOYSA-N 1 1 245.366 3.177 20 30 BGEDMO C#CC[N@H+](CC)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000746458005 585168377 /nfs/dbraw/zinc/16/83/77/585168377.db2.gz ZHTJUPJYNWDCMF-JTQLQIEISA-N 1 1 239.721 3.495 20 30 BGEDMO C#CC[N@H+](CC)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000746458009 585168185 /nfs/dbraw/zinc/16/81/85/585168185.db2.gz ZHTJUPJYNWDCMF-SNVBAGLBSA-N 1 1 239.721 3.495 20 30 BGEDMO C=CCCO[NH+]=C(N)C1CCCCCC1 ZINC000746567223 585170057 /nfs/dbraw/zinc/17/00/57/585170057.db2.gz XOUOHJIBVFRDJS-UHFFFAOYSA-N 1 1 210.321 3.031 20 30 BGEDMO C=C(Cl)C[N@@H+](CCc1ccccc1)C1CC1 ZINC000746652790 585171505 /nfs/dbraw/zinc/17/15/05/585171505.db2.gz QXSMSEIUUGAAIZ-UHFFFAOYSA-N 1 1 235.758 3.446 20 30 BGEDMO C=C(Cl)C[N@H+](CCc1ccccc1)C1CC1 ZINC000746652790 585171504 /nfs/dbraw/zinc/17/15/04/585171504.db2.gz QXSMSEIUUGAAIZ-UHFFFAOYSA-N 1 1 235.758 3.446 20 30 BGEDMO C=C(Cl)C[N@@H+](CC)CCc1cccs1 ZINC000746657385 585172028 /nfs/dbraw/zinc/17/20/28/585172028.db2.gz FVROSMJHWPZOTD-UHFFFAOYSA-N 1 1 229.776 3.365 20 30 BGEDMO C=CC[N@H+](CCCC(C)(C)C#N)C(C)C ZINC000746662106 585171752 /nfs/dbraw/zinc/17/17/52/585171752.db2.gz RXRQOZLKSXDTPO-UHFFFAOYSA-N 1 1 208.349 3.213 20 30 BGEDMO C#CC[N@H+]1CC[C@@H](c2ccccc2)[C@H](CC)C1 ZINC000746674043 585171884 /nfs/dbraw/zinc/17/18/84/585171884.db2.gz MQNUIISGAFHYGE-GDBMZVCRSA-N 1 1 227.351 3.135 20 30 BGEDMO C#CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](CC)C1 ZINC000746674045 585171958 /nfs/dbraw/zinc/17/19/58/585171958.db2.gz MQNUIISGAFHYGE-GOEBONIOSA-N 1 1 227.351 3.135 20 30 BGEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@@H](CC)C1 ZINC000746674046 585171899 /nfs/dbraw/zinc/17/18/99/585171899.db2.gz MQNUIISGAFHYGE-HOCLYGCPSA-N 1 1 227.351 3.135 20 30 BGEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](CC)C1 ZINC000746674048 585171872 /nfs/dbraw/zinc/17/18/72/585171872.db2.gz MQNUIISGAFHYGE-ZBFHGGJFSA-N 1 1 227.351 3.135 20 30 BGEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H](CC)c1ccccc1 ZINC000746706785 585172345 /nfs/dbraw/zinc/17/23/45/585172345.db2.gz WVFNMAPBFFPZLZ-HOTGVXAUSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H](CC)c1ccccc1 ZINC000746706786 585172277 /nfs/dbraw/zinc/17/22/77/585172277.db2.gz WVFNMAPBFFPZLZ-HZPDHXFCSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H](CC)c1ccccc1 ZINC000746706787 585172193 /nfs/dbraw/zinc/17/21/93/585172193.db2.gz WVFNMAPBFFPZLZ-JKSUJKDBSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CC[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000747086723 583336660 /nfs/dbraw/zinc/33/66/60/583336660.db2.gz AMYIQIVLLIRCTM-AWEZNQCLSA-N 1 1 205.345 3.054 20 30 BGEDMO CCCCCCCC(=O)Nc1cc(C)[nH+]cc1C ZINC000747111000 585175013 /nfs/dbraw/zinc/17/50/13/585175013.db2.gz CUNSZDZZKXXXPQ-UHFFFAOYSA-N 1 1 248.370 3.419 20 30 BGEDMO C#CC[N@H+](C/C=C\Cl)[C@H]1CCc2ccccc21 ZINC000747529852 585180434 /nfs/dbraw/zinc/18/04/34/585180434.db2.gz ZPEAJGDGEMMGFM-ANOSYLROSA-N 1 1 245.753 3.362 20 30 BGEDMO C#CC[N@@H+](C/C=C\Cl)[C@H]1CCc2ccccc21 ZINC000747529852 585180433 /nfs/dbraw/zinc/18/04/33/585180433.db2.gz ZPEAJGDGEMMGFM-ANOSYLROSA-N 1 1 245.753 3.362 20 30 BGEDMO C#CC[N@H+](C/C=C/Cl)[C@@H]1CCc2ccccc21 ZINC000747529859 585180465 /nfs/dbraw/zinc/18/04/65/585180465.db2.gz ZPEAJGDGEMMGFM-HYJLXUOHSA-N 1 1 245.753 3.362 20 30 BGEDMO C#CC[N@@H+](C/C=C/Cl)[C@@H]1CCc2ccccc21 ZINC000747529859 585180464 /nfs/dbraw/zinc/18/04/64/585180464.db2.gz ZPEAJGDGEMMGFM-HYJLXUOHSA-N 1 1 245.753 3.362 20 30 BGEDMO C#CC[N@H+](C/C=C/Cl)[C@H]1CCc2ccccc21 ZINC000747529861 585180360 /nfs/dbraw/zinc/18/03/60/585180360.db2.gz ZPEAJGDGEMMGFM-RNOHYWCBSA-N 1 1 245.753 3.362 20 30 BGEDMO C#CC[N@@H+](C/C=C/Cl)[C@H]1CCc2ccccc21 ZINC000747529861 585180359 /nfs/dbraw/zinc/18/03/59/585180359.db2.gz ZPEAJGDGEMMGFM-RNOHYWCBSA-N 1 1 245.753 3.362 20 30 BGEDMO C#CC[N@H+](C/C=C\Cl)[C@@H]1CCc2ccccc21 ZINC000747529864 585180223 /nfs/dbraw/zinc/18/02/23/585180223.db2.gz ZPEAJGDGEMMGFM-WSVPDTOYSA-N 1 1 245.753 3.362 20 30 BGEDMO C#CC[N@@H+](C/C=C\Cl)[C@@H]1CCc2ccccc21 ZINC000747529864 585180222 /nfs/dbraw/zinc/18/02/22/585180222.db2.gz ZPEAJGDGEMMGFM-WSVPDTOYSA-N 1 1 245.753 3.362 20 30 BGEDMO C#CC[N@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000747531479 585180182 /nfs/dbraw/zinc/18/01/82/585180182.db2.gz BCXSWYWKZRFRHA-NEPJUHHUSA-N 1 1 235.758 3.397 20 30 BGEDMO C#CC[N@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000747531489 585180519 /nfs/dbraw/zinc/18/05/19/585180519.db2.gz BCXSWYWKZRFRHA-NWDGAFQWSA-N 1 1 235.758 3.397 20 30 BGEDMO C#CC[N@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000747531490 585180399 /nfs/dbraw/zinc/18/03/99/585180399.db2.gz BCXSWYWKZRFRHA-RYUDHWBXSA-N 1 1 235.758 3.397 20 30 BGEDMO C#CC[N@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000747531492 585180292 /nfs/dbraw/zinc/18/02/92/585180292.db2.gz BCXSWYWKZRFRHA-VXGBXAGGSA-N 1 1 235.758 3.397 20 30 BGEDMO CCON=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000747629072 585181338 /nfs/dbraw/zinc/18/13/38/585181338.db2.gz APBXKWVCIHLGHP-UHFFFAOYSA-N 1 1 248.370 3.167 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000747669467 583371610 /nfs/dbraw/zinc/37/16/10/583371610.db2.gz PRVVZIZFMUYOKM-CYBMUJFWSA-N 1 1 237.730 3.282 20 30 BGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000747669467 583371609 /nfs/dbraw/zinc/37/16/09/583371609.db2.gz PRVVZIZFMUYOKM-CYBMUJFWSA-N 1 1 237.730 3.282 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000747669471 583371465 /nfs/dbraw/zinc/37/14/65/583371465.db2.gz PRVVZIZFMUYOKM-ZDUSSCGKSA-N 1 1 237.730 3.282 20 30 BGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000747669471 583371463 /nfs/dbraw/zinc/37/14/63/583371463.db2.gz PRVVZIZFMUYOKM-ZDUSSCGKSA-N 1 1 237.730 3.282 20 30 BGEDMO N#CCC[C@H]([NH2+]Cc1ccoc1)c1ccccc1 ZINC000747929765 585185799 /nfs/dbraw/zinc/18/57/99/585185799.db2.gz VQPWEMXYEVCVKK-HNNXBMFYSA-N 1 1 240.306 3.414 20 30 BGEDMO N#CCC[C@@H]([NH2+]Cc1ccoc1)c1ccccc1 ZINC000747929766 585185784 /nfs/dbraw/zinc/18/57/84/585185784.db2.gz VQPWEMXYEVCVKK-OAHLLOKOSA-N 1 1 240.306 3.414 20 30 BGEDMO C=CC[N@@H+](Cc1ccnc(Cl)c1)C(C)C ZINC000748806957 585196815 /nfs/dbraw/zinc/19/68/15/585196815.db2.gz WZYJHKGUMCZZNK-UHFFFAOYSA-N 1 1 224.735 3.131 20 30 BGEDMO C#CC[N@H+](CC)[C@H](C)c1cccc(C)c1 ZINC000749154881 585199889 /nfs/dbraw/zinc/19/98/89/585199889.db2.gz IAFHBALBCPHTLD-CYBMUJFWSA-N 1 1 201.313 3.011 20 30 BGEDMO C#CC[N@H+](CC)[C@@H](C)c1cccc(C)c1 ZINC000749154887 585200003 /nfs/dbraw/zinc/20/00/03/585200003.db2.gz IAFHBALBCPHTLD-ZDUSSCGKSA-N 1 1 201.313 3.011 20 30 BGEDMO C=C(Cl)C[N@@H+](CCC)C[C@H]1CCCCO1 ZINC000749293007 585201119 /nfs/dbraw/zinc/20/11/19/585201119.db2.gz YNJKQDOGMGSZIR-GFCCVEGCSA-N 1 1 231.767 3.020 20 30 BGEDMO C=C(Cl)C[N@@H+](CCC)C[C@@H]1CCCCO1 ZINC000749293009 585201163 /nfs/dbraw/zinc/20/11/63/585201163.db2.gz YNJKQDOGMGSZIR-LBPRGKRZSA-N 1 1 231.767 3.020 20 30 BGEDMO C#CC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000749440233 585202483 /nfs/dbraw/zinc/20/24/83/585202483.db2.gz BHOUFEUMNRZIBW-INIZCTEOSA-N 1 1 225.335 3.162 20 30 BGEDMO C#CC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000749440234 585202424 /nfs/dbraw/zinc/20/24/24/585202424.db2.gz BHOUFEUMNRZIBW-MRXNPFEDSA-N 1 1 225.335 3.162 20 30 BGEDMO CCCCCCC[N@H+]1CCCOC[C@H]1C ZINC000749511334 585203130 /nfs/dbraw/zinc/20/31/30/585203130.db2.gz OEQRYARLLZHBML-CYBMUJFWSA-N 1 1 213.365 3.068 20 30 BGEDMO CCCCCCC[N@H+]1CCCOC[C@@H]1C ZINC000749511335 585203207 /nfs/dbraw/zinc/20/32/07/585203207.db2.gz OEQRYARLLZHBML-ZDUSSCGKSA-N 1 1 213.365 3.068 20 30 BGEDMO CCCCCCCC[N@H+]1CCCOC[C@@H]1C ZINC000749511770 585203060 /nfs/dbraw/zinc/20/30/60/585203060.db2.gz QIMNDQSDVPAQQG-AWEZNQCLSA-N 1 1 227.392 3.458 20 30 BGEDMO CCCCCCCC[N@H+]1CCCOC[C@H]1C ZINC000749511772 585203182 /nfs/dbraw/zinc/20/31/82/585203182.db2.gz QIMNDQSDVPAQQG-CQSZACIVSA-N 1 1 227.392 3.458 20 30 BGEDMO C=CC[N@H+](Cc1cccc(COC)c1)C(C)C ZINC000749515756 585203346 /nfs/dbraw/zinc/20/33/46/585203346.db2.gz WDPZICLKVXFSLN-UHFFFAOYSA-N 1 1 233.355 3.229 20 30 BGEDMO CCCCCCC[N@H+]1CCOCC12CCC2 ZINC000749545667 585203608 /nfs/dbraw/zinc/20/36/08/585203608.db2.gz LHQBXKITPFRFCQ-UHFFFAOYSA-N 1 1 225.376 3.212 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000750252897 712405199 /nfs/dbraw/zinc/40/51/99/712405199.db2.gz PNFWRAWRACVGFY-CABCVRRESA-N 1 1 239.403 3.315 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000750252898 712405158 /nfs/dbraw/zinc/40/51/58/712405158.db2.gz PNFWRAWRACVGFY-GJZGRUSLSA-N 1 1 239.403 3.315 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000750252899 712405165 /nfs/dbraw/zinc/40/51/65/712405165.db2.gz PNFWRAWRACVGFY-HUUCEWRRSA-N 1 1 239.403 3.315 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000750252900 712405162 /nfs/dbraw/zinc/40/51/62/712405162.db2.gz PNFWRAWRACVGFY-LSDHHAIUSA-N 1 1 239.403 3.315 20 30 BGEDMO CCCCCCCC[N@H+]1CCc2cn[nH]c2C1 ZINC000750721866 585218853 /nfs/dbraw/zinc/21/88/53/585218853.db2.gz NPBZKRVNBQGGRL-UHFFFAOYSA-N 1 1 235.375 3.128 20 30 BGEDMO CCCCCCCC[N@@H+]1CCc2cn[nH]c2C1 ZINC000750721866 585218852 /nfs/dbraw/zinc/21/88/52/585218852.db2.gz 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ZINC000752712944 585248866 /nfs/dbraw/zinc/24/88/66/585248866.db2.gz GKQPUFXWQAIPKT-UHFFFAOYSA-N 1 1 239.322 3.332 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000752853818 644603517 /nfs/dbraw/zinc/60/35/17/644603517.db2.gz CHZDUJTXCIXVPN-INIZCTEOSA-N 1 1 227.351 3.025 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000752853829 644603756 /nfs/dbraw/zinc/60/37/56/644603756.db2.gz CHZDUJTXCIXVPN-MRXNPFEDSA-N 1 1 227.351 3.025 20 30 BGEDMO C#CCC[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000752853852 644604120 /nfs/dbraw/zinc/60/41/20/644604120.db2.gz DCTUVQXSWYUFEM-HNNXBMFYSA-N 1 1 245.391 3.108 20 30 BGEDMO C#CCC[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000752853867 644604016 /nfs/dbraw/zinc/60/40/16/644604016.db2.gz DCTUVQXSWYUFEM-OAHLLOKOSA-N 1 1 245.391 3.108 20 30 BGEDMO C#CCC[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000752853918 644603406 /nfs/dbraw/zinc/60/34/06/644603406.db2.gz DNFJMRYSPCODPH-GFCCVEGCSA-N 1 1 235.758 3.226 20 30 BGEDMO C#CCC[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000752853920 585250853 /nfs/dbraw/zinc/25/08/53/585250853.db2.gz DNFJMRYSPCODPH-LBPRGKRZSA-N 1 1 235.758 3.226 20 30 BGEDMO C#CCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000752855104 585251004 /nfs/dbraw/zinc/25/10/04/585251004.db2.gz JOYGPLVDZMEPQL-UHFFFAOYSA-N 1 1 205.345 3.054 20 30 BGEDMO C#CCC[N@H+](C)Cc1csc2ccccc12 ZINC000752855180 585250795 /nfs/dbraw/zinc/25/07/95/585250795.db2.gz KFUROWXFMWEVKZ-UHFFFAOYSA-N 1 1 229.348 3.356 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)cc1C ZINC000752855195 585250698 /nfs/dbraw/zinc/25/06/98/585250698.db2.gz KLISHKFNGWETCR-UHFFFAOYSA-N 1 1 233.355 3.402 20 30 BGEDMO C#CCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000752855328 585250760 /nfs/dbraw/zinc/25/07/60/585250760.db2.gz JFWAUUFIKJMMQX-UHFFFAOYSA-N 1 1 231.314 3.061 20 30 BGEDMO C#CCC[N@H+](CC)Cc1ccccc1Cl ZINC000752855846 585250890 /nfs/dbraw/zinc/25/08/90/585250890.db2.gz NGTKIIXYFMHEKV-UHFFFAOYSA-N 1 1 221.731 3.185 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000752856130 585250777 /nfs/dbraw/zinc/25/07/77/585250777.db2.gz 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MZLYGWJEYHEZNM-LSDHHAIUSA-N 1 1 227.351 3.196 20 30 BGEDMO C#CCC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000752856522 585250985 /nfs/dbraw/zinc/25/09/85/585250985.db2.gz QXISQPZGNMWPCP-UHFFFAOYSA-N 1 1 233.742 3.328 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000752856625 585250855 /nfs/dbraw/zinc/25/08/55/585250855.db2.gz PETUASHAQUDHQK-INIZCTEOSA-N 1 1 227.351 3.063 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000752856627 585250682 /nfs/dbraw/zinc/25/06/82/585250682.db2.gz PETUASHAQUDHQK-MRXNPFEDSA-N 1 1 227.351 3.063 20 30 BGEDMO C#CCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000752857425 585251008 /nfs/dbraw/zinc/25/10/08/585251008.db2.gz VIKDUPCQGYEBDE-UHFFFAOYSA-N 1 1 242.149 3.449 20 30 BGEDMO C#CCC[N@@H+](C1CC1)C1CCC(CC)CC1 ZINC000752857462 585250815 /nfs/dbraw/zinc/25/08/15/585250815.db2.gz VLIUDCRJHZJVHB-UHFFFAOYSA-N 1 1 219.372 3.443 20 30 BGEDMO C#CCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000752857691 585250809 /nfs/dbraw/zinc/25/08/09/585250809.db2.gz XLTGNTITQSUJLC-INIZCTEOSA-N 1 1 227.351 3.107 20 30 BGEDMO C#CCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000752857692 585250947 /nfs/dbraw/zinc/25/09/47/585250947.db2.gz XLTGNTITQSUJLC-MRXNPFEDSA-N 1 1 227.351 3.107 20 30 BGEDMO C#CCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000752858218 585250953 /nfs/dbraw/zinc/25/09/53/585250953.db2.gz YMIOYYQXEYPRHM-INIZCTEOSA-N 1 1 227.351 3.279 20 30 BGEDMO C#CCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000752858220 585250798 /nfs/dbraw/zinc/25/07/98/585250798.db2.gz YMIOYYQXEYPRHM-MRXNPFEDSA-N 1 1 227.351 3.279 20 30 BGEDMO C=C(Cl)C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000753136993 585254099 /nfs/dbraw/zinc/25/40/99/585254099.db2.gz SJNQFQPMJGDRCH-CYBMUJFWSA-N 1 1 221.731 3.056 20 30 BGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000753136993 585254098 /nfs/dbraw/zinc/25/40/98/585254098.db2.gz SJNQFQPMJGDRCH-CYBMUJFWSA-N 1 1 221.731 3.056 20 30 BGEDMO C=C(Cl)C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000753136994 585254083 /nfs/dbraw/zinc/25/40/83/585254083.db2.gz SJNQFQPMJGDRCH-ZDUSSCGKSA-N 1 1 221.731 3.056 20 30 BGEDMO C=C(Cl)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000753136994 585254082 /nfs/dbraw/zinc/25/40/82/585254082.db2.gz SJNQFQPMJGDRCH-ZDUSSCGKSA-N 1 1 221.731 3.056 20 30 BGEDMO C#CC[N@H+](CC)[C@H]1CCCc2ccc(F)cc21 ZINC000753163819 585254878 /nfs/dbraw/zinc/25/48/78/585254878.db2.gz SNTSHPYCLAJBBC-HNNXBMFYSA-N 1 1 231.314 3.158 20 30 BGEDMO C#CC[N@H+](CC)[C@@H]1CCCc2ccc(F)cc21 ZINC000753163822 585254759 /nfs/dbraw/zinc/25/47/59/585254759.db2.gz SNTSHPYCLAJBBC-OAHLLOKOSA-N 1 1 231.314 3.158 20 30 BGEDMO C=CC[N@H+](Cc1ncc(CC)s1)C(C)C ZINC000753536044 585261062 /nfs/dbraw/zinc/26/10/62/585261062.db2.gz OBCMZWFKXDDDAK-UHFFFAOYSA-N 1 1 224.373 3.102 20 30 BGEDMO C=CC[N@@H+](Cc1ncc(CC)s1)C(C)C ZINC000753536044 585261061 /nfs/dbraw/zinc/26/10/61/585261061.db2.gz OBCMZWFKXDDDAK-UHFFFAOYSA-N 1 1 224.373 3.102 20 30 BGEDMO C#CC[N@H+](CCC(=O)C(C)(C)C)C1CCCCC1 ZINC000753706503 585266636 /nfs/dbraw/zinc/26/66/36/585266636.db2.gz WIOHLUKHKMGBQW-UHFFFAOYSA-N 1 1 249.398 3.260 20 30 BGEDMO C=CC[N@H+](CCC(=O)CC)CC1CCCCC1 ZINC000753723691 584905400 /nfs/dbraw/zinc/90/54/00/584905400.db2.gz HVZHIXOVNZAQLY-UHFFFAOYSA-N 1 1 237.387 3.424 20 30 BGEDMO Cc1ccc(N=NC2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000753965773 585273973 /nfs/dbraw/zinc/27/39/73/585273973.db2.gz HHDWHLFNWLBWHL-GFCCVEGCSA-N 1 1 243.354 3.020 20 30 BGEDMO Cc1ccc(N=NC2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000753965777 585273910 /nfs/dbraw/zinc/27/39/10/585273910.db2.gz HHDWHLFNWLBWHL-LBPRGKRZSA-N 1 1 243.354 3.020 20 30 BGEDMO Cc1cccc(N=NC2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000753967865 585273990 /nfs/dbraw/zinc/27/39/90/585273990.db2.gz QXBUAZWEZBEMHA-GFCCVEGCSA-N 1 1 243.354 3.020 20 30 BGEDMO Cc1cccc(N=NC2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000753967866 585273850 /nfs/dbraw/zinc/27/38/50/585273850.db2.gz QXBUAZWEZBEMHA-LBPRGKRZSA-N 1 1 243.354 3.020 20 30 BGEDMO C=CC[N@H+](CCCOCc1ccccc1)C(C)C ZINC000754009180 585275147 /nfs/dbraw/zinc/27/51/47/585275147.db2.gz ZKDVWYKSWVUQBM-UHFFFAOYSA-N 1 1 247.382 3.490 20 30 BGEDMO C#CC[N@@H+](CC[C@@H]1CCCCO1)C1CCCCC1 ZINC000754011759 585275293 /nfs/dbraw/zinc/27/52/93/585275293.db2.gz FOCVHTRFVFGVJB-INIZCTEOSA-N 1 1 249.398 3.214 20 30 BGEDMO C#CC[N@@H+](CC[C@H]1CCCCO1)C1CCCCC1 ZINC000754011763 585275380 /nfs/dbraw/zinc/27/53/80/585275380.db2.gz FOCVHTRFVFGVJB-MRXNPFEDSA-N 1 1 249.398 3.214 20 30 BGEDMO C#CC[N@H+](C[C@@H]1C[C@@H]1C)[C@@H]1CCc2ccccc21 ZINC000754102293 641717732 /nfs/dbraw/zinc/71/77/32/641717732.db2.gz SYVOCWPUIFFOBE-JLJPHGGASA-N 1 1 239.362 3.265 20 30 BGEDMO C#CC[N@H+](C[C@@H]1C[C@H]1C)[C@H]1CCc2ccccc21 ZINC000754102302 641718059 /nfs/dbraw/zinc/71/80/59/641718059.db2.gz SYVOCWPUIFFOBE-KMFMINBZSA-N 1 1 239.362 3.265 20 30 BGEDMO C#CC[N@H+](C[C@@H]1C[C@@H]1C)[C@H]1CCc2ccccc21 ZINC000754102311 641718200 /nfs/dbraw/zinc/71/82/00/641718200.db2.gz SYVOCWPUIFFOBE-QRTARXTBSA-N 1 1 239.362 3.265 20 30 BGEDMO C#CC[N@H+](C[C@@H]1C[C@H]1C)[C@@H]1CCc2ccccc21 ZINC000754102337 641718560 /nfs/dbraw/zinc/71/85/60/641718560.db2.gz SYVOCWPUIFFOBE-UKPHBRMFSA-N 1 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208.349 3.191 20 30 BGEDMO CCCCCCCCN1CC[N@@H+](CC)[C@@H](C)C1 ZINC000754372803 585283431 /nfs/dbraw/zinc/28/34/31/585283431.db2.gz LKYZTZBRLWYSHB-HNNXBMFYSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCCN1CC[N@H+](CC)[C@@H](C)C1 ZINC000754372803 585283430 /nfs/dbraw/zinc/28/34/30/585283430.db2.gz LKYZTZBRLWYSHB-HNNXBMFYSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCC[N@H+]1CCN(CC)[C@@H](C)C1 ZINC000754372803 585283429 /nfs/dbraw/zinc/28/34/29/585283429.db2.gz LKYZTZBRLWYSHB-HNNXBMFYSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCCN1CC[N@@H+](CC)[C@H](C)C1 ZINC000754372815 585283538 /nfs/dbraw/zinc/28/35/38/585283538.db2.gz LKYZTZBRLWYSHB-OAHLLOKOSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCCN1CC[N@H+](CC)[C@H](C)C1 ZINC000754372815 585283537 /nfs/dbraw/zinc/28/35/37/585283537.db2.gz LKYZTZBRLWYSHB-OAHLLOKOSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCC[N@H+]1CCN(CC)[C@H](C)C1 ZINC000754372815 585283536 /nfs/dbraw/zinc/28/35/36/585283536.db2.gz LKYZTZBRLWYSHB-OAHLLOKOSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCC[N@H+]1CCOC[C@@H](C)C1 ZINC000754385424 585283712 /nfs/dbraw/zinc/28/37/12/585283712.db2.gz MTSXJYRVLGQLTN-AWEZNQCLSA-N 1 1 227.392 3.315 20 30 BGEDMO CCCCCCCC[N@H+]1CCOC[C@H](C)C1 ZINC000754385426 585283990 /nfs/dbraw/zinc/28/39/90/585283990.db2.gz MTSXJYRVLGQLTN-CQSZACIVSA-N 1 1 227.392 3.315 20 30 BGEDMO C=CC[N@H+](CCN(C)c1ccccc1)C(C)C ZINC000754641357 585288348 /nfs/dbraw/zinc/28/83/48/585288348.db2.gz SBHHAPCNDHXKTM-UHFFFAOYSA-N 1 1 232.371 3.019 20 30 BGEDMO CCCCCCCC[N@@H+](C)Cc1cn[nH]c1 ZINC000754661342 585288741 /nfs/dbraw/zinc/28/87/41/585288741.db2.gz YRCCHOQZQZIWRW-UHFFFAOYSA-N 1 1 223.364 3.202 20 30 BGEDMO Cc1cc(C)c(O)c(C[N@H+](CCC#N)C(C)C)c1 ZINC000754720932 585289964 /nfs/dbraw/zinc/28/99/64/585289964.db2.gz WIPGEEIJJKGXCN-UHFFFAOYSA-N 1 1 246.354 3.133 20 30 BGEDMO C=CC[N@H+](Cc1cc(C)cc(OC)c1O)C(C)C ZINC000754727584 585290105 /nfs/dbraw/zinc/29/01/05/585290105.db2.gz JCOHHIZKCSAWDS-UHFFFAOYSA-N 1 1 249.354 3.106 20 30 BGEDMO C=CC[N@@H+](Cc1cc(C)cc(C)c1O)C(C)C ZINC000754727632 585290168 /nfs/dbraw/zinc/29/01/68/585290168.db2.gz LDWAHFNKJYZSRF-UHFFFAOYSA-N 1 1 233.355 3.405 20 30 BGEDMO CC(C)([NH2+]C[C@@H](C#N)CCC#N)c1cccs1 ZINC000754821625 585291376 /nfs/dbraw/zinc/29/13/76/585291376.db2.gz WVDULFSNZFUKDT-LLVKDONJSA-N 1 1 247.367 3.016 20 30 BGEDMO CC(C)([NH2+]C[C@H](C#N)CCC#N)c1cccs1 ZINC000754821626 585291396 /nfs/dbraw/zinc/29/13/96/585291396.db2.gz WVDULFSNZFUKDT-NSHDSACASA-N 1 1 247.367 3.016 20 30 BGEDMO Oc1ccccc1/C=[NH+]\CCC1CCC1 ZINC000755031725 585292795 /nfs/dbraw/zinc/29/27/95/585292795.db2.gz MVGJWZTUKKFAQK-UVTDQMKNSA-N 1 1 203.285 3.001 20 30 BGEDMO C#CCCC[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000755196994 585296085 /nfs/dbraw/zinc/29/60/85/585296085.db2.gz ZJJBCPYXOFYJJU-FYWRMAATSA-N 1 1 227.351 3.435 20 30 BGEDMO C#CCCC[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000755196999 585296210 /nfs/dbraw/zinc/29/62/10/585296210.db2.gz ZJJBCPYXOFYJJU-SQFISAMPSA-N 1 1 227.351 3.435 20 30 BGEDMO CCCCCCC[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000755203708 585296279 /nfs/dbraw/zinc/29/62/79/585296279.db2.gz DRXLBYDMQAULSJ-UHFFFAOYSA-N 1 1 248.370 3.116 20 30 BGEDMO C#CCOc1ccccc1C[N@H+](C)C[C@@H](C)CC ZINC000755941994 585311281 /nfs/dbraw/zinc/31/12/81/585311281.db2.gz ZZUPZUGBQLPDHJ-AWEZNQCLSA-N 1 1 245.366 3.177 20 30 BGEDMO C#CCOc1ccccc1C[N@H+](C)C[C@H](C)CC ZINC000755941995 585311152 /nfs/dbraw/zinc/31/11/52/585311152.db2.gz ZZUPZUGBQLPDHJ-CQSZACIVSA-N 1 1 245.366 3.177 20 30 BGEDMO C=CC[N@@H+](Cc1nc(C)c(C)s1)C(C)C ZINC000756033998 585313321 /nfs/dbraw/zinc/31/33/21/585313321.db2.gz MTHOEHQKIGWEII-UHFFFAOYSA-N 1 1 224.373 3.156 20 30 BGEDMO C=CC[N@H+](Cc1nc(C)c(C)s1)C(C)C ZINC000756033998 585313320 /nfs/dbraw/zinc/31/33/20/585313320.db2.gz MTHOEHQKIGWEII-UHFFFAOYSA-N 1 1 224.373 3.156 20 30 BGEDMO C=CCCC[N@H+](CC)Cc1cccc(C)n1 ZINC000756034657 585313316 /nfs/dbraw/zinc/31/33/16/585313316.db2.gz CNZBVRGBIACTLD-UHFFFAOYSA-N 1 1 218.344 3.178 20 30 BGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000756057434 585313775 /nfs/dbraw/zinc/31/37/75/585313775.db2.gz HSWCEXGGTSNTHN-GFCCVEGCSA-N 1 1 239.721 3.368 20 30 BGEDMO C=C(Cl)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000756057435 585313830 /nfs/dbraw/zinc/31/38/30/585313830.db2.gz HSWCEXGGTSNTHN-LBPRGKRZSA-N 1 1 239.721 3.368 20 30 BGEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000756057488 585313887 /nfs/dbraw/zinc/31/38/87/585313887.db2.gz JIYSTHKADDOACC-AWEZNQCLSA-N 1 1 235.758 3.403 20 30 BGEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000756057489 585313870 /nfs/dbraw/zinc/31/38/70/585313870.db2.gz JIYSTHKADDOACC-CQSZACIVSA-N 1 1 235.758 3.403 20 30 BGEDMO C#CC[N@H+](CC)Cc1ccc2nc(C)sc2c1 ZINC000756078740 585313987 /nfs/dbraw/zinc/31/39/87/585313987.db2.gz JBVTYMHCOQFRFW-UHFFFAOYSA-N 1 1 244.363 3.060 20 30 BGEDMO C=CC[N@H+](CCCOC(C)(C)C)C(C)C ZINC000756812865 585323781 /nfs/dbraw/zinc/32/37/81/585323781.db2.gz NMIVCPRXFMZWFY-UHFFFAOYSA-N 1 1 213.365 3.088 20 30 BGEDMO C=CC[N@@H+](Cc1nc2cc(F)ccc2o1)C(C)C ZINC000756815385 585323635 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BGEDMO C#CCC[N@@H+]1CCCCC[C@H]1CC(C)C ZINC000760842865 585399485 /nfs/dbraw/zinc/39/94/85/585399485.db2.gz CSDHDVSGGXVHSJ-AWEZNQCLSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CC(C)C ZINC000760842866 585399353 /nfs/dbraw/zinc/39/93/53/585399353.db2.gz CSDHDVSGGXVHSJ-CQSZACIVSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCC[N@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000760843123 585399080 /nfs/dbraw/zinc/39/90/80/585399080.db2.gz FXIVHJNETMGVQR-UHFFFAOYSA-N 1 1 227.351 3.291 20 30 BGEDMO C#CCC[N@@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000760843728 585399153 /nfs/dbraw/zinc/39/91/53/585399153.db2.gz MIJLPRWNLCZABE-KRWDZBQOSA-N 1 1 241.378 3.355 20 30 BGEDMO C#CCC[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000760843731 585399176 /nfs/dbraw/zinc/39/91/76/585399176.db2.gz MIJLPRWNLCZABE-QGZVFWFLSA-N 1 1 241.378 3.355 20 30 BGEDMO C#CCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000760844359 585399116 /nfs/dbraw/zinc/39/91/16/585399116.db2.gz UIULYYKZOXTKAO-HNNXBMFYSA-N 1 1 231.314 3.376 20 30 BGEDMO C#CCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000760844361 585399327 /nfs/dbraw/zinc/39/93/27/585399327.db2.gz UIULYYKZOXTKAO-OAHLLOKOSA-N 1 1 231.314 3.376 20 30 BGEDMO C#CCC[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000760844605 585399640 /nfs/dbraw/zinc/39/96/40/585399640.db2.gz VILSVFGEQWCJKI-DOMZBBRYSA-N 1 1 231.314 3.232 20 30 BGEDMO C#CCC[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000760844610 585399618 /nfs/dbraw/zinc/39/96/18/585399618.db2.gz VILSVFGEQWCJKI-IUODEOHRSA-N 1 1 231.314 3.232 20 30 BGEDMO C#CCC[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000760844614 585399849 /nfs/dbraw/zinc/39/98/49/585399849.db2.gz VILSVFGEQWCJKI-SWLSCSKDSA-N 1 1 231.314 3.232 20 30 BGEDMO C#CCC[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000760844619 585399821 /nfs/dbraw/zinc/39/98/21/585399821.db2.gz VILSVFGEQWCJKI-WFASDCNBSA-N 1 1 231.314 3.232 20 30 BGEDMO C#CCC[N@H+](C)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000760844902 585399772 /nfs/dbraw/zinc/39/97/72/585399772.db2.gz RAFROXUEKLKCLA-CABCVRRESA-N 1 1 249.398 3.069 20 30 BGEDMO C#CCC[N@H+](C)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000760844903 585399607 /nfs/dbraw/zinc/39/96/07/585399607.db2.gz RAFROXUEKLKCLA-GJZGRUSLSA-N 1 1 249.398 3.069 20 30 BGEDMO C#CCC[N@H+](C)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000760844905 585399601 /nfs/dbraw/zinc/39/96/01/585399601.db2.gz RAFROXUEKLKCLA-HUUCEWRRSA-N 1 1 249.398 3.069 20 30 BGEDMO C#CCC[N@H+](C)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000760844914 585399678 /nfs/dbraw/zinc/39/96/78/585399678.db2.gz RAFROXUEKLKCLA-LSDHHAIUSA-N 1 1 249.398 3.069 20 30 BGEDMO C#CCC[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000760845804 585399545 /nfs/dbraw/zinc/39/95/45/585399545.db2.gz CVOLKRGKDJFNKR-UHFFFAOYSA-N 1 1 233.330 3.450 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000760845934 585399611 /nfs/dbraw/zinc/39/96/11/585399611.db2.gz XPUZKUZNNTVIJV-INIZCTEOSA-N 1 1 227.351 3.464 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000760845937 585399704 /nfs/dbraw/zinc/39/97/04/585399704.db2.gz XPUZKUZNNTVIJV-MRXNPFEDSA-N 1 1 227.351 3.464 20 30 BGEDMO C#CCC[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000760846156 585399605 /nfs/dbraw/zinc/39/96/05/585399605.db2.gz ZTXFPIBETUFUFT-GDBMZVCRSA-N 1 1 227.351 3.135 20 30 BGEDMO C#CCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000760846158 585399609 /nfs/dbraw/zinc/39/96/09/585399609.db2.gz ZTXFPIBETUFUFT-GOEBONIOSA-N 1 1 227.351 3.135 20 30 BGEDMO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000760846159 585399788 /nfs/dbraw/zinc/39/97/88/585399788.db2.gz ZTXFPIBETUFUFT-HOCLYGCPSA-N 1 1 227.351 3.135 20 30 BGEDMO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000760846161 585399806 /nfs/dbraw/zinc/39/98/06/585399806.db2.gz ZTXFPIBETUFUFT-ZBFHGGJFSA-N 1 1 227.351 3.135 20 30 BGEDMO C#CCC[N@H+](CC)[C@@H](CC)Cc1ccccc1 ZINC000760846914 585399725 /nfs/dbraw/zinc/39/97/25/585399725.db2.gz IRJRVFVNSGOWDT-INIZCTEOSA-N 1 1 229.367 3.353 20 30 BGEDMO C#CCC[N@H+](CC)[C@H](CC)Cc1ccccc1 ZINC000760846915 585399754 /nfs/dbraw/zinc/39/97/54/585399754.db2.gz IRJRVFVNSGOWDT-MRXNPFEDSA-N 1 1 229.367 3.353 20 30 BGEDMO C#CCC[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000760847489 585399525 /nfs/dbraw/zinc/39/95/25/585399525.db2.gz NLORPCUOIGNAGI-UHFFFAOYSA-N 1 1 215.340 3.310 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000760847707 585399656 /nfs/dbraw/zinc/39/96/56/585399656.db2.gz ORPOKEGWPMBNBP-INIZCTEOSA-N 1 1 227.351 3.464 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000760847708 585399556 /nfs/dbraw/zinc/39/95/56/585399556.db2.gz ORPOKEGWPMBNBP-MRXNPFEDSA-N 1 1 227.351 3.464 20 30 BGEDMO C#CCC[N@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC000760848209 585399648 /nfs/dbraw/zinc/39/96/48/585399648.db2.gz UFEYADOZPJEGTQ-INIZCTEOSA-N 1 1 227.351 3.265 20 30 BGEDMO C#CCC[N@H+]1CCc2ccccc2[C@H]1C(C)C ZINC000760848211 585399833 /nfs/dbraw/zinc/39/98/33/585399833.db2.gz UFEYADOZPJEGTQ-MRXNPFEDSA-N 1 1 227.351 3.265 20 30 BGEDMO C#CCC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000760855003 585399912 /nfs/dbraw/zinc/39/99/12/585399912.db2.gz RAYOSBDLOICLDF-KRWDZBQOSA-N 1 1 241.378 3.497 20 30 BGEDMO C#CCC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000760855009 585400040 /nfs/dbraw/zinc/40/00/40/585400040.db2.gz RAYOSBDLOICLDF-QGZVFWFLSA-N 1 1 241.378 3.497 20 30 BGEDMO C#CCC[N@@H+]1CCCC[C@H]1CCC(C)C ZINC000760860133 585400109 /nfs/dbraw/zinc/40/01/09/585400109.db2.gz LEPMZXUSWKVYOB-AWEZNQCLSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCC[N@@H+]1CCCC[C@@H]1CCC(C)C ZINC000760860135 585400072 /nfs/dbraw/zinc/40/00/72/585400072.db2.gz LEPMZXUSWKVYOB-CQSZACIVSA-N 1 1 207.361 3.300 20 30 BGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCSC1 ZINC000760887346 585401372 /nfs/dbraw/zinc/40/13/72/585401372.db2.gz POCQVFLQLGYMMF-GFCCVEGCSA-N 1 1 215.406 3.394 20 30 BGEDMO CCCCCCC[N@@H+](C)[C@H]1CCSC1 ZINC000760887357 585401483 /nfs/dbraw/zinc/40/14/83/585401483.db2.gz POCQVFLQLGYMMF-LBPRGKRZSA-N 1 1 215.406 3.394 20 30 BGEDMO CC(C)CC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000760968870 585402732 /nfs/dbraw/zinc/40/27/32/585402732.db2.gz WYAFMVAQRQWTGI-HNNXBMFYSA-N 1 1 247.386 3.188 20 30 BGEDMO CC(C)CC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000760968875 585402786 /nfs/dbraw/zinc/40/27/86/585402786.db2.gz WYAFMVAQRQWTGI-OAHLLOKOSA-N 1 1 247.386 3.188 20 30 BGEDMO CCCCCCC[N@H+]1CCCSCC1 ZINC000760996124 585403541 /nfs/dbraw/zinc/40/35/41/585403541.db2.gz YLPUYXDVXRCXMZ-UHFFFAOYSA-N 1 1 215.406 3.396 20 30 BGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761093217 585408282 /nfs/dbraw/zinc/40/82/82/585408282.db2.gz LZRDMMFMNRMXAE-DOMZBBRYSA-N 1 1 240.350 3.082 20 30 BGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761093225 585408219 /nfs/dbraw/zinc/40/82/19/585408219.db2.gz LZRDMMFMNRMXAE-SWLSCSKDSA-N 1 1 240.350 3.082 20 30 BGEDMO CCCCCCC[N@@H+](C)C1(COC)CC1 ZINC000761098719 585409036 /nfs/dbraw/zinc/40/90/36/585409036.db2.gz DQDRBECVECBESZ-UHFFFAOYSA-N 1 1 213.365 3.068 20 30 BGEDMO CCCCCCCC[N@@H+](C)C1(COC)CC1 ZINC000761101335 585409519 /nfs/dbraw/zinc/40/95/19/585409519.db2.gz MAPOOTCFILLIIN-UHFFFAOYSA-N 1 1 227.392 3.458 20 30 BGEDMO C#CC[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000761124775 585410755 /nfs/dbraw/zinc/41/07/55/585410755.db2.gz UFNPIYDEUDKNDA-INIZCTEOSA-N 1 1 227.351 3.107 20 30 BGEDMO C#CC[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000761124777 585410772 /nfs/dbraw/zinc/41/07/72/585410772.db2.gz UFNPIYDEUDKNDA-MRXNPFEDSA-N 1 1 227.351 3.107 20 30 BGEDMO C#CCC[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000761125381 585410831 /nfs/dbraw/zinc/41/08/31/585410831.db2.gz YLQIGSPJFJHCDY-KRWDZBQOSA-N 1 1 241.378 3.497 20 30 BGEDMO C#CCC[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000761125387 585410919 /nfs/dbraw/zinc/41/09/19/585410919.db2.gz YLQIGSPJFJHCDY-QGZVFWFLSA-N 1 1 241.378 3.497 20 30 BGEDMO CCCCCCC[N@H+]1CCOC[C@H]1C1CC1 ZINC000761127507 585410826 /nfs/dbraw/zinc/41/08/26/585410826.db2.gz TYOSDDJBMMDWRM-AWEZNQCLSA-N 1 1 225.376 3.068 20 30 BGEDMO CCCCCCC[N@H+]1CCOC[C@@H]1C1CC1 ZINC000761127509 585410734 /nfs/dbraw/zinc/41/07/34/585410734.db2.gz TYOSDDJBMMDWRM-CQSZACIVSA-N 1 1 225.376 3.068 20 30 BGEDMO CCON=C1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000761251979 585412975 /nfs/dbraw/zinc/41/29/75/585412975.db2.gz DUXOGIPIPRSRDH-UHFFFAOYSA-N 1 1 246.354 3.063 20 30 BGEDMO C#CC[N@@H+](CC)CCCSCc1ccccc1 ZINC000761670264 585417836 /nfs/dbraw/zinc/41/78/36/585417836.db2.gz RBVAOKBJJRWVFM-UHFFFAOYSA-N 1 1 247.407 3.265 20 30 BGEDMO Cc1cc(C)c(N=NC2C[C@@H](C)[N@H+](C)C2)c(C)c1 ZINC000761812758 585418512 /nfs/dbraw/zinc/41/85/12/585418512.db2.gz OMBQQQZIRIWCFG-CYBMUJFWSA-N 1 1 245.370 3.104 20 30 BGEDMO Cc1cc(C)c(N=NC2C[C@H](C)[N@H+](C)C2)c(C)c1 ZINC000761812760 585418584 /nfs/dbraw/zinc/41/85/84/585418584.db2.gz OMBQQQZIRIWCFG-ZDUSSCGKSA-N 1 1 245.370 3.104 20 30 BGEDMO C#CC[N@@H+](Cc1cccc(F)c1)C(C)(C)C ZINC000761921952 585422906 /nfs/dbraw/zinc/42/29/06/585422906.db2.gz VPWSDXWEOXZGOG-UHFFFAOYSA-N 1 1 219.303 3.059 20 30 BGEDMO C#CC[N@@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000761955757 585423283 /nfs/dbraw/zinc/42/32/83/585423283.db2.gz JQHOMNYGHJNZPX-HNNXBMFYSA-N 1 1 213.324 3.074 20 30 BGEDMO C#CC[N@@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000761955787 585423212 /nfs/dbraw/zinc/42/32/12/585423212.db2.gz JQHOMNYGHJNZPX-OAHLLOKOSA-N 1 1 213.324 3.074 20 30 BGEDMO C=CC[N@@H+](Cc1ccc(OC(C)=O)cc1)C(C)C ZINC000762630247 585434741 /nfs/dbraw/zinc/43/47/41/585434741.db2.gz VMHPPUUYRQETAQ-UHFFFAOYSA-N 1 1 247.338 3.008 20 30 BGEDMO C#CCC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000762636441 585434774 /nfs/dbraw/zinc/43/47/74/585434774.db2.gz ZLEYXHQGXHDIQF-HNNXBMFYSA-N 1 1 213.324 3.237 20 30 BGEDMO C#CCC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000762636442 585434856 /nfs/dbraw/zinc/43/48/56/585434856.db2.gz ZLEYXHQGXHDIQF-OAHLLOKOSA-N 1 1 213.324 3.237 20 30 BGEDMO C#CC[N@H+](CC)Cc1ccc(C(F)(F)F)s1 ZINC000762992820 585440977 /nfs/dbraw/zinc/44/09/77/585440977.db2.gz AIJJKAYYJIDOSD-UHFFFAOYSA-N 1 1 247.285 3.222 20 30 BGEDMO C#CC[N@@H+](CC)Cc1ccc(C(F)(F)F)s1 ZINC000762992820 585440976 /nfs/dbraw/zinc/44/09/76/585440976.db2.gz AIJJKAYYJIDOSD-UHFFFAOYSA-N 1 1 247.285 3.222 20 30 BGEDMO C=CC[N@@H+](Cc1ccn(C2CCCC2)n1)C(C)C ZINC000763398097 585447611 /nfs/dbraw/zinc/44/76/11/585447611.db2.gz PFEASBIUPKZAFJ-UHFFFAOYSA-N 1 1 247.386 3.395 20 30 BGEDMO C=CC[N@H+](Cc1ccn(C2CCCC2)n1)C(C)C ZINC000763398097 585447610 /nfs/dbraw/zinc/44/76/10/585447610.db2.gz PFEASBIUPKZAFJ-UHFFFAOYSA-N 1 1 247.386 3.395 20 30 BGEDMO C#CC[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000763398950 585447674 /nfs/dbraw/zinc/44/76/74/585447674.db2.gz XFSYKMDYYUKLNI-UHFFFAOYSA-N 1 1 233.742 3.185 20 30 BGEDMO C#CCCNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC000763530454 585449664 /nfs/dbraw/zinc/44/96/64/585449664.db2.gz VPUMKUATKHGPLU-UHFFFAOYSA-N 1 1 224.307 3.287 20 30 BGEDMO C=C(Cl)C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000763619359 585451315 /nfs/dbraw/zinc/45/13/15/585451315.db2.gz UQYPIVIQPOCQNM-JTQLQIEISA-N 1 1 221.731 3.358 20 30 BGEDMO C=C(Cl)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000763619359 585451314 /nfs/dbraw/zinc/45/13/14/585451314.db2.gz UQYPIVIQPOCQNM-JTQLQIEISA-N 1 1 221.731 3.358 20 30 BGEDMO C=C(Cl)C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000763619361 585451291 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/nfs/dbraw/zinc/50/93/10/585509310.db2.gz CXOACMAPZMBQAP-UHFFFAOYSA-N 1 1 207.361 3.302 20 30 BGEDMO C#CCCC[N@@H+](C)CCCCc1ccccc1 ZINC000766894308 585509256 /nfs/dbraw/zinc/50/92/56/585509256.db2.gz ALNUDJGPUWXNJN-UHFFFAOYSA-N 1 1 229.367 3.355 20 30 BGEDMO C#CCCC[N@H+](CCC)Cc1ccc(OC)cc1 ZINC000766894372 585509056 /nfs/dbraw/zinc/50/90/56/585509056.db2.gz FFCALDAUEGMXLG-UHFFFAOYSA-N 1 1 245.366 3.321 20 30 BGEDMO C#CCCC[N@H+]1CCc2sccc2[C@H]1CC ZINC000766894395 584944405 /nfs/dbraw/zinc/94/44/05/584944405.db2.gz BVBBCNYTBWQXDC-CYBMUJFWSA-N 1 1 233.380 3.471 20 30 BGEDMO C#CCCC[N@H+]1CCc2sccc2[C@@H]1CC ZINC000766894397 584944412 /nfs/dbraw/zinc/94/44/12/584944412.db2.gz BVBBCNYTBWQXDC-ZDUSSCGKSA-N 1 1 233.380 3.471 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000766894537 585509427 /nfs/dbraw/zinc/50/94/27/585509427.db2.gz DNEJWPBTAAVFTL-KKUMJFAQSA-N 1 1 219.372 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000766894554 585509391 /nfs/dbraw/zinc/50/93/91/585509391.db2.gz DNEJWPBTAAVFTL-RRFJBIMHSA-N 1 1 219.372 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000766894555 585509412 /nfs/dbraw/zinc/50/94/12/585509412.db2.gz DNEJWPBTAAVFTL-SOUVJXGZSA-N 1 1 219.372 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000766894556 585509353 /nfs/dbraw/zinc/50/93/53/585509353.db2.gz DNEJWPBTAAVFTL-ZNMIVQPWSA-N 1 1 219.372 3.300 20 30 BGEDMO C#CCCC[N@H+](C)Cc1ccc(CC)cc1 ZINC000766894570 585509318 /nfs/dbraw/zinc/50/93/18/585509318.db2.gz FANXBBYECBFFBU-UHFFFAOYSA-N 1 1 215.340 3.094 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000766894884 585509527 /nfs/dbraw/zinc/50/95/27/585509527.db2.gz GHUXKCXATBQPOS-INIZCTEOSA-N 1 1 245.341 3.246 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000766894886 585509433 /nfs/dbraw/zinc/50/94/33/585509433.db2.gz GHUXKCXATBQPOS-MRXNPFEDSA-N 1 1 245.341 3.246 20 30 BGEDMO C#CCCC[N@@H+](CC=C)Cc1ccccc1F ZINC000766894915 585509046 /nfs/dbraw/zinc/50/90/46/585509046.db2.gz GYJBOOLKBWKFOX-UHFFFAOYSA-N 1 1 231.314 3.227 20 30 BGEDMO C#CCCC[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000766894918 585509078 /nfs/dbraw/zinc/50/90/78/585509078.db2.gz GYJGDGDTRORDFM-UHFFFAOYSA-N 1 1 219.372 3.443 20 30 BGEDMO C#CCCC[N@@H+](CC1CCCCC1)C1CC1 ZINC000766894933 585509365 /nfs/dbraw/zinc/50/93/65/585509365.db2.gz HFELOTYETDIBEF-UHFFFAOYSA-N 1 1 219.372 3.445 20 30 BGEDMO C#CCCC[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000766894962 585508987 /nfs/dbraw/zinc/50/89/87/585508987.db2.gz HPFYMIFRKHLYBK-CYBMUJFWSA-N 1 1 213.324 3.019 20 30 BGEDMO C#CCCC[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000766894966 585509113 /nfs/dbraw/zinc/50/91/13/585509113.db2.gz HPFYMIFRKHLYBK-ZDUSSCGKSA-N 1 1 213.324 3.019 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000766895009 585509503 /nfs/dbraw/zinc/50/95/03/585509503.db2.gz IBZFCGCXUAOJOF-HNNXBMFYSA-N 1 1 243.350 3.246 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000766895011 585509568 /nfs/dbraw/zinc/50/95/68/585509568.db2.gz IBZFCGCXUAOJOF-OAHLLOKOSA-N 1 1 243.350 3.246 20 30 BGEDMO C#CCCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000766895061 585509529 /nfs/dbraw/zinc/50/95/29/585509529.db2.gz IRNJHLHPKSPMLY-KRWDZBQOSA-N 1 1 241.378 3.497 20 30 BGEDMO C#CCCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000766895066 585509595 /nfs/dbraw/zinc/50/95/95/585509595.db2.gz IRNJHLHPKSPMLY-QGZVFWFLSA-N 1 1 241.378 3.497 20 30 BGEDMO C#CCCC[N@@H+](C)CCCOc1ccccc1C ZINC000766895163 585509282 /nfs/dbraw/zinc/50/92/82/585509282.db2.gz JFSYIAJMBDCNMS-UHFFFAOYSA-N 1 1 245.366 3.109 20 30 BGEDMO C#CCCC[N@H+](Cc1ccccc1C)C1CC1 ZINC000766895190 585509493 /nfs/dbraw/zinc/50/94/93/585509493.db2.gz JSGGERKUWSKPCX-UHFFFAOYSA-N 1 1 227.351 3.373 20 30 BGEDMO C#CCCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000766895248 585509471 /nfs/dbraw/zinc/50/94/71/585509471.db2.gz CARJKAGPELAIIY-UHFFFAOYSA-N 1 1 231.314 3.204 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000766895325 585509483 /nfs/dbraw/zinc/50/94/83/585509483.db2.gz DYMGEYPGLGZCRM-HNNXBMFYSA-N 1 1 231.314 3.376 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000766895326 585509473 /nfs/dbraw/zinc/50/94/73/585509473.db2.gz DYMGEYPGLGZCRM-OAHLLOKOSA-N 1 1 231.314 3.376 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000766895477 585509618 /nfs/dbraw/zinc/50/96/18/585509618.db2.gz NJEMIQQEZOXKOI-HNNXBMFYSA-N 1 1 231.314 3.376 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000766895478 585509481 /nfs/dbraw/zinc/50/94/81/585509481.db2.gz NJEMIQQEZOXKOI-OAHLLOKOSA-N 1 1 231.314 3.376 20 30 BGEDMO C#CCCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000766895526 585509641 /nfs/dbraw/zinc/50/96/41/585509641.db2.gz OYOCISPLJUTHBU-UHFFFAOYSA-N 1 1 231.314 3.204 20 30 BGEDMO C#CCCC[N@@H+](CC=C)Cc1ccc(OC)cc1 ZINC000766895530 585509238 /nfs/dbraw/zinc/50/92/38/585509238.db2.gz PJSPVZBSKDJXNC-UHFFFAOYSA-N 1 1 243.350 3.097 20 30 BGEDMO C#CCCC[N@H+](CC)Cc1ccccc1C ZINC000766895538 585509438 /nfs/dbraw/zinc/50/94/38/585509438.db2.gz QDFDWZPFKQEUPL-UHFFFAOYSA-N 1 1 215.340 3.230 20 30 BGEDMO C#CCCC[N@H+](CCC)Cc1ccccc1F ZINC000766895565 585509312 /nfs/dbraw/zinc/50/93/12/585509312.db2.gz LZVFVLWKLQPVGI-UHFFFAOYSA-N 1 1 233.330 3.451 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000766895596 585509982 /nfs/dbraw/zinc/50/99/82/585509982.db2.gz MXQABKTVDVAIPO-AWEZNQCLSA-N 1 1 231.314 3.028 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000766895598 585509690 /nfs/dbraw/zinc/50/96/90/585509690.db2.gz MXQABKTVDVAIPO-CQSZACIVSA-N 1 1 231.314 3.028 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000766895601 585509692 /nfs/dbraw/zinc/50/96/92/585509692.db2.gz MYZWSZHMXITWOJ-HNNXBMFYSA-N 1 1 227.351 3.198 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000766895603 585509769 /nfs/dbraw/zinc/50/97/69/585509769.db2.gz MYZWSZHMXITWOJ-OAHLLOKOSA-N 1 1 227.351 3.198 20 30 BGEDMO C#CCCC[N@H+](C)C1CCCCCCC1 ZINC000766895614 585509778 /nfs/dbraw/zinc/50/97/78/585509778.db2.gz NOVKYZBRAAJGLP-UHFFFAOYSA-N 1 1 207.361 3.445 20 30 BGEDMO C#CCCC[N@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000766895646 585509722 /nfs/dbraw/zinc/50/97/22/585509722.db2.gz OJLJRPNTUHWQAV-CHWSQXEVSA-N 1 1 207.361 3.299 20 30 BGEDMO C#CCCC[N@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000766895648 585509783 /nfs/dbraw/zinc/50/97/83/585509783.db2.gz OJLJRPNTUHWQAV-OLZOCXBDSA-N 1 1 207.361 3.299 20 30 BGEDMO C#CCCC[N@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000766895651 585509688 /nfs/dbraw/zinc/50/96/88/585509688.db2.gz OJLJRPNTUHWQAV-QWHCGFSZSA-N 1 1 207.361 3.299 20 30 BGEDMO C#CCCC[N@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000766895653 585509898 /nfs/dbraw/zinc/50/98/98/585509898.db2.gz OJLJRPNTUHWQAV-STQMWFEESA-N 1 1 207.361 3.299 20 30 BGEDMO C#CCCC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000766895713 585509724 /nfs/dbraw/zinc/50/97/24/585509724.db2.gz QUQLPEZVAPTCSR-AWEZNQCLSA-N 1 1 215.340 3.401 20 30 BGEDMO C#CCCC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000766895714 585509861 /nfs/dbraw/zinc/50/98/61/585509861.db2.gz QUQLPEZVAPTCSR-CQSZACIVSA-N 1 1 215.340 3.401 20 30 BGEDMO C#CCCC[N@@H+](C1CC1)C1CCCCC1 ZINC000766895717 585510004 /nfs/dbraw/zinc/51/00/04/585510004.db2.gz QYUJDKQOUPMMBY-UHFFFAOYSA-N 1 1 205.345 3.197 20 30 BGEDMO C#CCCC[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000766895741 585510070 /nfs/dbraw/zinc/51/00/70/585510070.db2.gz GTFYPDUITMBYRW-UHFFFAOYSA-N 1 1 239.362 3.498 20 30 BGEDMO C#CCCC[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000766895767 585510075 /nfs/dbraw/zinc/51/00/75/585510075.db2.gz HNQBJZJSYRROAA-LLVKDONJSA-N 1 1 237.293 3.371 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000766895774 585510014 /nfs/dbraw/zinc/51/00/14/585510014.db2.gz SIOVKHUCYMXTKI-INIZCTEOSA-N 1 1 245.341 3.246 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000766895778 585509799 /nfs/dbraw/zinc/50/97/99/585509799.db2.gz SIOVKHUCYMXTKI-MRXNPFEDSA-N 1 1 245.341 3.246 20 30 BGEDMO C#CCCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000766895781 585509938 /nfs/dbraw/zinc/50/99/38/585509938.db2.gz SLYGLYONIOSIQJ-UHFFFAOYSA-N 1 1 231.339 3.438 20 30 BGEDMO C#CCCC[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000766895783 585509744 /nfs/dbraw/zinc/50/97/44/585509744.db2.gz HNQBJZJSYRROAA-NSHDSACASA-N 1 1 237.293 3.371 20 30 BGEDMO C#CCCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000766895893 585509999 /nfs/dbraw/zinc/50/99/99/585509999.db2.gz JSJOXQGFRKOKAG-UHFFFAOYSA-N 1 1 243.325 3.328 20 30 BGEDMO C#CCCC[N@H+](CC=C)Cc1ccccc1 ZINC000766895917 585509734 /nfs/dbraw/zinc/50/97/34/585509734.db2.gz KNDWJEZYHAFSNH-UHFFFAOYSA-N 1 1 213.324 3.088 20 30 BGEDMO C#CCCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000766896106 585509885 /nfs/dbraw/zinc/50/98/85/585509885.db2.gz PHZBNCWAYBCCFP-UHFFFAOYSA-N 1 1 219.372 3.445 20 30 BGEDMO C#CCCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000766896173 585509811 /nfs/dbraw/zinc/50/98/11/585509811.db2.gz XPFPCBWOBQIIMY-UHFFFAOYSA-N 1 1 249.304 3.343 20 30 BGEDMO C#CCCC[N@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000766896248 585509738 /nfs/dbraw/zinc/50/97/38/585509738.db2.gz YPGVYJVATXQZFU-AWEZNQCLSA-N 1 1 245.366 3.492 20 30 BGEDMO C#CCCC[N@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000766896249 584944459 /nfs/dbraw/zinc/94/44/59/584944459.db2.gz YPGVYJVATXQZFU-CQSZACIVSA-N 1 1 245.366 3.492 20 30 BGEDMO C#CCCC[N@@H+](CC#C)[C@H]1CCc2ccccc21 ZINC000766896274 585509908 /nfs/dbraw/zinc/50/99/08/585509908.db2.gz QSNSOMKEHLNYPT-KRWDZBQOSA-N 1 1 237.346 3.023 20 30 BGEDMO C#CCCC[N@@H+](CC#C)[C@@H]1CCc2ccccc21 ZINC000766896275 585509904 /nfs/dbraw/zinc/50/99/04/585509904.db2.gz QSNSOMKEHLNYPT-QGZVFWFLSA-N 1 1 237.346 3.023 20 30 BGEDMO C#CCCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000766896330 585510064 /nfs/dbraw/zinc/51/00/64/585510064.db2.gz LUIUHNJACISBOP-HNNXBMFYSA-N 1 1 213.324 3.237 20 30 BGEDMO C#CCCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000766896334 585510052 /nfs/dbraw/zinc/51/00/52/585510052.db2.gz LUIUHNJACISBOP-OAHLLOKOSA-N 1 1 213.324 3.237 20 30 BGEDMO C#CCCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000766896351 585509890 /nfs/dbraw/zinc/50/98/90/585509890.db2.gz RTUWBCHMIZHPTA-KRWDZBQOSA-N 1 1 241.378 3.497 20 30 BGEDMO C#CCCC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000766896353 585509944 /nfs/dbraw/zinc/50/99/44/585509944.db2.gz RTUWBCHMIZHPTA-QGZVFWFLSA-N 1 1 241.378 3.497 20 30 BGEDMO C#CCCC[N@H+](CC=C)Cc1cccs1 ZINC000766896485 585509759 /nfs/dbraw/zinc/50/97/59/585509759.db2.gz PNVYBSUPLCPSFA-UHFFFAOYSA-N 1 1 219.353 3.150 20 30 BGEDMO C#CCCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000766896513 585509767 /nfs/dbraw/zinc/50/97/67/585509767.db2.gz QACGZFKJWDJQBC-INIZCTEOSA-N 1 1 227.351 3.409 20 30 BGEDMO C#CCCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000766896514 585509833 /nfs/dbraw/zinc/50/98/33/585509833.db2.gz QACGZFKJWDJQBC-MRXNPFEDSA-N 1 1 227.351 3.409 20 30 BGEDMO C#CCCC[N@@H+](CCc1ccccc1)C1CC1 ZINC000766896573 585509697 /nfs/dbraw/zinc/50/96/97/585509697.db2.gz SZZLIMBSKUTUOI-UHFFFAOYSA-N 1 1 227.351 3.107 20 30 BGEDMO C#CCCC[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000766896586 584944490 /nfs/dbraw/zinc/94/44/90/584944490.db2.gz UJTKLQFUQPTAQT-UHFFFAOYSA-N 1 1 245.366 3.157 20 30 BGEDMO C#CCCC[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000766896645 585509659 /nfs/dbraw/zinc/50/96/59/585509659.db2.gz WQBCUONZIATHHT-UHFFFAOYSA-N 1 1 233.330 3.450 20 30 BGEDMO C#CCCC[N@H+](CCC)Cc1ccc(F)cc1 ZINC000766896689 584944502 /nfs/dbraw/zinc/94/45/02/584944502.db2.gz WXYBGSGZGRLQSF-UHFFFAOYSA-N 1 1 233.330 3.451 20 30 BGEDMO C#CCCC[N@H+](CC)Cc1c(F)cccc1F ZINC000766896836 585509869 /nfs/dbraw/zinc/50/98/69/585509869.db2.gz XHHFGFQGOHJJBZ-UHFFFAOYSA-N 1 1 237.293 3.200 20 30 BGEDMO C#CCCC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000766896848 585509742 /nfs/dbraw/zinc/50/97/42/585509742.db2.gz UGPJAZKUFDNHBI-INIZCTEOSA-N 1 1 227.351 3.107 20 30 BGEDMO C#CCCC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000766896851 585510034 /nfs/dbraw/zinc/51/00/34/585510034.db2.gz UGPJAZKUFDNHBI-MRXNPFEDSA-N 1 1 227.351 3.107 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000766896983 584944514 /nfs/dbraw/zinc/94/45/14/584944514.db2.gz YDIOFECNHKRCFN-CYBMUJFWSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000766896984 584944516 /nfs/dbraw/zinc/94/45/16/584944516.db2.gz YDIOFECNHKRCFN-ZDUSSCGKSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+](Cc1ccc(F)cc1)C(C)C ZINC000766897013 585510078 /nfs/dbraw/zinc/51/00/78/585510078.db2.gz ZCNQAQDCOAUNTA-UHFFFAOYSA-N 1 1 233.330 3.450 20 30 BGEDMO C#CCCC[N@H+](C)Cc1c(F)cccc1Cl ZINC000766897082 585509847 /nfs/dbraw/zinc/50/98/47/585509847.db2.gz YGQFPWAFHFIILK-UHFFFAOYSA-N 1 1 239.721 3.324 20 30 BGEDMO C#CCCC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000766897082 585509846 /nfs/dbraw/zinc/50/98/46/585509846.db2.gz YGQFPWAFHFIILK-UHFFFAOYSA-N 1 1 239.721 3.324 20 30 BGEDMO C#CCCC[N@H+](Cc1ccccc1F)C1CC1 ZINC000766897096 585509652 /nfs/dbraw/zinc/50/96/52/585509652.db2.gz YYGUCNNKXRVRQA-UHFFFAOYSA-N 1 1 231.314 3.204 20 30 BGEDMO C#CCCC[N@H+](CC=C)CC1CCCCC1 ZINC000766900432 585510212 /nfs/dbraw/zinc/51/02/12/585510212.db2.gz CWEXPFIJYGYJGL-UHFFFAOYSA-N 1 1 219.372 3.468 20 30 BGEDMO C#CCCC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000766900627 585510297 /nfs/dbraw/zinc/51/02/97/585510297.db2.gz NKRDEUOOXASGQH-KRWDZBQOSA-N 1 1 241.378 3.355 20 30 BGEDMO C#CCCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000766900628 585510335 /nfs/dbraw/zinc/51/03/35/585510335.db2.gz NKRDEUOOXASGQH-QGZVFWFLSA-N 1 1 241.378 3.355 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000766900766 585510381 /nfs/dbraw/zinc/51/03/81/585510381.db2.gz DKLWIESNKNXXEQ-KRWDZBQOSA-N 1 1 241.378 3.415 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000766900767 585510484 /nfs/dbraw/zinc/51/04/84/585510484.db2.gz DKLWIESNKNXXEQ-QGZVFWFLSA-N 1 1 241.378 3.415 20 30 BGEDMO C#CCCC[N@@H+]1CCCC[C@@H](SCC)C1 ZINC000766901035 585510475 /nfs/dbraw/zinc/51/04/75/585510475.db2.gz JEGXVOZNJPKEFA-CYBMUJFWSA-N 1 1 225.401 3.007 20 30 BGEDMO C#CCCC[N@@H+]1CCCC[C@H](SCC)C1 ZINC000766901036 585510371 /nfs/dbraw/zinc/51/03/71/585510371.db2.gz JEGXVOZNJPKEFA-ZDUSSCGKSA-N 1 1 225.401 3.007 20 30 BGEDMO C#CCCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000766901112 585510231 /nfs/dbraw/zinc/51/02/31/585510231.db2.gz SBQQALBWEDBMLK-UHFFFAOYSA-N 1 1 239.721 3.324 20 30 BGEDMO C#CCCC[N@H+]1CCCC2(CCCCC2)C1 ZINC000766901543 585508766 /nfs/dbraw/zinc/50/87/66/585508766.db2.gz PVMXSPLOCZZEAD-UHFFFAOYSA-N 1 1 219.372 3.446 20 30 BGEDMO C#CCCC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000766901931 585510277 /nfs/dbraw/zinc/51/02/77/585510277.db2.gz AQAXJVYLPBXGAN-DZGCQCFKSA-N 1 1 245.341 3.417 20 30 BGEDMO C#CCCC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000766901932 585510279 /nfs/dbraw/zinc/51/02/79/585510279.db2.gz AQAXJVYLPBXGAN-HIFRSBDPSA-N 1 1 245.341 3.417 20 30 BGEDMO C#CCCC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000766901934 585510236 /nfs/dbraw/zinc/51/02/36/585510236.db2.gz AQAXJVYLPBXGAN-UKRRQHHQSA-N 1 1 245.341 3.417 20 30 BGEDMO C#CCCC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000766901937 585510098 /nfs/dbraw/zinc/51/00/98/585510098.db2.gz AQAXJVYLPBXGAN-ZFWWWQNUSA-N 1 1 245.341 3.417 20 30 BGEDMO C#CCCC[N@H+](C)[C@@H]1CC[C@@H](SCC)C1 ZINC000766901940 585510524 /nfs/dbraw/zinc/51/05/24/585510524.db2.gz ATYJKURZUWQUMG-CHWSQXEVSA-N 1 1 225.401 3.006 20 30 BGEDMO C#CCCC[N@H+](C)[C@@H]1CC[C@H](SCC)C1 ZINC000766901941 585510089 /nfs/dbraw/zinc/51/00/89/585510089.db2.gz ATYJKURZUWQUMG-OLZOCXBDSA-N 1 1 225.401 3.006 20 30 BGEDMO C#CCCC[N@H+](C)[C@H]1CC[C@@H](SCC)C1 ZINC000766901942 585510219 /nfs/dbraw/zinc/51/02/19/585510219.db2.gz ATYJKURZUWQUMG-QWHCGFSZSA-N 1 1 225.401 3.006 20 30 BGEDMO C#CCCC[N@H+](C)[C@H]1CC[C@H](SCC)C1 ZINC000766901943 585510197 /nfs/dbraw/zinc/51/01/97/585510197.db2.gz ATYJKURZUWQUMG-STQMWFEESA-N 1 1 225.401 3.006 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000766901945 585510477 /nfs/dbraw/zinc/51/04/77/585510477.db2.gz AXKVXOOKTKVHAF-DOTOQJQBSA-N 1 1 241.378 3.353 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000766901946 584944504 /nfs/dbraw/zinc/94/45/04/584944504.db2.gz AXKVXOOKTKVHAF-NVXWUHKLSA-N 1 1 241.378 3.353 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000766901947 584944520 /nfs/dbraw/zinc/94/45/20/584944520.db2.gz AXKVXOOKTKVHAF-RDJZCZTQSA-N 1 1 241.378 3.353 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000766901948 584944525 /nfs/dbraw/zinc/94/45/25/584944525.db2.gz AXKVXOOKTKVHAF-WBVHZDCISA-N 1 1 241.378 3.353 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000766902321 585510227 /nfs/dbraw/zinc/51/02/27/585510227.db2.gz FPLDKCPVQHUMCG-KBPBESRZSA-N 1 1 231.339 3.466 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000766902322 585510225 /nfs/dbraw/zinc/51/02/25/585510225.db2.gz FPLDKCPVQHUMCG-KGLIPLIRSA-N 1 1 231.339 3.466 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000766902323 585510100 /nfs/dbraw/zinc/51/01/00/585510100.db2.gz FPLDKCPVQHUMCG-UONOGXRCSA-N 1 1 231.339 3.466 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000766902324 585510111 /nfs/dbraw/zinc/51/01/11/585510111.db2.gz FPLDKCPVQHUMCG-ZIAGYGMSSA-N 1 1 231.339 3.466 20 30 BGEDMO C#CCCC[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000766902371 585510393 /nfs/dbraw/zinc/51/03/93/585510393.db2.gz HFXQBMYCBMOBEG-GFCCVEGCSA-N 1 1 231.314 3.158 20 30 BGEDMO C#CCCC[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000766902372 585510267 /nfs/dbraw/zinc/51/02/67/585510267.db2.gz HFXQBMYCBMOBEG-LBPRGKRZSA-N 1 1 231.314 3.158 20 30 BGEDMO C#CCCC[N@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000766902414 585510102 /nfs/dbraw/zinc/51/01/02/585510102.db2.gz JMTHVOZUEJCWSS-INIZCTEOSA-N 1 1 229.367 3.353 20 30 BGEDMO C#CCCC[N@H+](C)[C@H](CC)Cc1ccccc1 ZINC000766902415 585510170 /nfs/dbraw/zinc/51/01/70/585510170.db2.gz JMTHVOZUEJCWSS-MRXNPFEDSA-N 1 1 229.367 3.353 20 30 BGEDMO C#CCCC[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000766902541 585510684 /nfs/dbraw/zinc/51/06/84/585510684.db2.gz KHUJNXQWQKOCQZ-GFCCVEGCSA-N 1 1 231.314 3.158 20 30 BGEDMO C#CCCC[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000766902542 585510860 /nfs/dbraw/zinc/51/08/60/585510860.db2.gz KHUJNXQWQKOCQZ-LBPRGKRZSA-N 1 1 231.314 3.158 20 30 BGEDMO C#CCCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000766902658 585510710 /nfs/dbraw/zinc/51/07/10/585510710.db2.gz MPSBNPJACCXRTB-UHFFFAOYSA-N 1 1 233.742 3.112 20 30 BGEDMO C#CCCC[N@@H+](CCC#N)CC(CC)CC ZINC000766902725 585510677 /nfs/dbraw/zinc/51/06/77/585510677.db2.gz MWHBQEQCJHHPET-UHFFFAOYSA-N 1 1 220.360 3.052 20 30 BGEDMO C#CCCC[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000766903020 585510652 /nfs/dbraw/zinc/51/06/52/585510652.db2.gz ONPFWCJPPSOKKN-HNNXBMFYSA-N 1 1 229.367 3.271 20 30 BGEDMO C#CCCC[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000766903022 585510788 /nfs/dbraw/zinc/51/07/88/585510788.db2.gz ONPFWCJPPSOKKN-OAHLLOKOSA-N 1 1 229.367 3.271 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@](C)(CCC)C1 ZINC000766903157 585510835 /nfs/dbraw/zinc/51/08/35/585510835.db2.gz QTGWGPPRLSSZRQ-AWEZNQCLSA-N 1 1 207.361 3.302 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@](C)(CCC)C1 ZINC000766903159 585508878 /nfs/dbraw/zinc/50/88/78/585508878.db2.gz QTGWGPPRLSSZRQ-CQSZACIVSA-N 1 1 207.361 3.302 20 30 BGEDMO C#CCCC[N@@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000766903182 585510786 /nfs/dbraw/zinc/51/07/86/585510786.db2.gz RHLJOLLCSCMIGW-KBPBESRZSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CCCC[C@H]1[C@H](C)CC ZINC000766903184 585510811 /nfs/dbraw/zinc/51/08/11/585510811.db2.gz RHLJOLLCSCMIGW-KGLIPLIRSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)CC ZINC000766903185 585510826 /nfs/dbraw/zinc/51/08/26/585510826.db2.gz RHLJOLLCSCMIGW-UONOGXRCSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000766903187 585510764 /nfs/dbraw/zinc/51/07/64/585510764.db2.gz RHLJOLLCSCMIGW-ZIAGYGMSSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000766903204 585510713 /nfs/dbraw/zinc/51/07/13/585510713.db2.gz ANHKOIZRHSSDQV-AWEZNQCLSA-N 1 1 207.361 3.158 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000766903205 585510847 /nfs/dbraw/zinc/51/08/47/585510847.db2.gz ANHKOIZRHSSDQV-CQSZACIVSA-N 1 1 207.361 3.158 20 30 BGEDMO C#CCCC[N@H+]1CCSC2(CCCCC2)C1 ZINC000766903244 585510883 /nfs/dbraw/zinc/51/08/83/585510883.db2.gz BIGMEEXAXXTCNL-UHFFFAOYSA-N 1 1 237.412 3.152 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H]1CCC(C)C ZINC000766903276 585510580 /nfs/dbraw/zinc/51/05/80/585510580.db2.gz BNSFQQXAUWPOPS-AWEZNQCLSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000766903279 585510590 /nfs/dbraw/zinc/51/05/90/585510590.db2.gz BNSFQQXAUWPOPS-CQSZACIVSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@H+](CC(C)C)CC(C)(C)C ZINC000766903290 585510656 /nfs/dbraw/zinc/51/06/56/585510656.db2.gz BZLAOSPVEBRTII-UHFFFAOYSA-N 1 1 209.377 3.404 20 30 BGEDMO C#CCCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000766904167 585510725 /nfs/dbraw/zinc/51/07/25/585510725.db2.gz XRPYSELKIULVBV-HZSPNIEDSA-N 1 1 205.345 3.053 20 30 BGEDMO C#CCCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000766904170 585510663 /nfs/dbraw/zinc/51/06/63/585510663.db2.gz XRPYSELKIULVBV-MCIONIFRSA-N 1 1 205.345 3.053 20 30 BGEDMO C#CCCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000766904171 585510842 /nfs/dbraw/zinc/51/08/42/585510842.db2.gz XRPYSELKIULVBV-MGPQQGTHSA-N 1 1 205.345 3.053 20 30 BGEDMO C#CCCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000766904172 585510978 /nfs/dbraw/zinc/51/09/78/585510978.db2.gz XRPYSELKIULVBV-RDBSUJKOSA-N 1 1 205.345 3.053 20 30 BGEDMO C#CCCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000766904656 585510922 /nfs/dbraw/zinc/51/09/22/585510922.db2.gz ARPSGBCSSWINOH-HNNXBMFYSA-N 1 1 245.391 3.190 20 30 BGEDMO C#CCCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000766904664 585510747 /nfs/dbraw/zinc/51/07/47/585510747.db2.gz ARPSGBCSSWINOH-OAHLLOKOSA-N 1 1 245.391 3.190 20 30 BGEDMO C#CCCC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000766904815 585510752 /nfs/dbraw/zinc/51/07/52/585510752.db2.gz IAWQDVISYRHOJE-UHFFFAOYSA-N 1 1 233.277 3.064 20 30 BGEDMO C#CCCC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000766904873 585510947 /nfs/dbraw/zinc/51/09/47/585510947.db2.gz DPQGBFRDZBYDPH-UHFFFAOYSA-N 1 1 245.341 3.246 20 30 BGEDMO C#CCCC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000766904977 585510915 /nfs/dbraw/zinc/51/09/15/585510915.db2.gz FFTRMGXZSWAQQR-UHFFFAOYSA-N 1 1 235.758 3.228 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000766905952 585510784 /nfs/dbraw/zinc/51/07/84/585510784.db2.gz OADDGPPVBOQQAP-INIZCTEOSA-N 1 1 227.351 3.063 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000766905954 585510666 /nfs/dbraw/zinc/51/06/66/585510666.db2.gz OADDGPPVBOQQAP-MRXNPFEDSA-N 1 1 227.351 3.063 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H]1[C@@H](C)CCC ZINC000766906071 585511230 /nfs/dbraw/zinc/51/12/30/585511230.db2.gz PKYYHJIDJITMES-KBPBESRZSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H]1[C@H](C)CCC ZINC000766906073 585511035 /nfs/dbraw/zinc/51/10/35/585511035.db2.gz PKYYHJIDJITMES-KGLIPLIRSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H]1[C@@H](C)CCC ZINC000766906075 585511346 /nfs/dbraw/zinc/51/13/46/585511346.db2.gz PKYYHJIDJITMES-UONOGXRCSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H]1[C@H](C)CCC ZINC000766906079 585511136 /nfs/dbraw/zinc/51/11/36/585511136.db2.gz PKYYHJIDJITMES-ZIAGYGMSSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC000766906104 584944548 /nfs/dbraw/zinc/94/45/48/584944548.db2.gz OFGZCGOQYSETKH-KRWDZBQOSA-N 1 1 241.378 3.415 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000766906110 584944539 /nfs/dbraw/zinc/94/45/39/584944539.db2.gz OFGZCGOQYSETKH-QGZVFWFLSA-N 1 1 241.378 3.415 20 30 BGEDMO C#CCCC[N@H+]1CCc2ccccc2[C@@H]1CC ZINC000766906301 585511014 /nfs/dbraw/zinc/51/10/14/585511014.db2.gz QBHTWCRIKIEKIY-INIZCTEOSA-N 1 1 227.351 3.409 20 30 BGEDMO C#CCCC[N@H+]1CCc2ccccc2[C@H]1CC ZINC000766906303 585511122 /nfs/dbraw/zinc/51/11/22/585511122.db2.gz QBHTWCRIKIEKIY-MRXNPFEDSA-N 1 1 227.351 3.409 20 30 BGEDMO C#CCCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000766906333 585511142 /nfs/dbraw/zinc/51/11/42/585511142.db2.gz QFFOKHYHBAKPML-HNNXBMFYSA-N 1 1 217.356 3.222 20 30 BGEDMO C#CCCC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000766906410 585511267 /nfs/dbraw/zinc/51/12/67/585511267.db2.gz QFFOKHYHBAKPML-OAHLLOKOSA-N 1 1 217.356 3.222 20 30 BGEDMO C#CCCC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000766906422 585511060 /nfs/dbraw/zinc/51/10/60/585511060.db2.gz QLYAIOPMZPUPDS-UHFFFAOYSA-N 1 1 245.341 3.246 20 30 BGEDMO C#CCCC[N@H+](CCC)CCc1cccc(F)c1 ZINC000766906472 585511224 /nfs/dbraw/zinc/51/12/24/585511224.db2.gz QRXPBKAASXJCHA-UHFFFAOYSA-N 1 1 247.357 3.494 20 30 BGEDMO C#CCCC[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000766906591 585511048 /nfs/dbraw/zinc/51/10/48/585511048.db2.gz RYSLPKISZZEUQG-LLVKDONJSA-N 1 1 249.304 3.297 20 30 BGEDMO C#CCCC[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000766906593 585510999 /nfs/dbraw/zinc/51/09/99/585510999.db2.gz RYSLPKISZZEUQG-NSHDSACASA-N 1 1 249.304 3.297 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000766906670 585511027 /nfs/dbraw/zinc/51/10/27/585511027.db2.gz STPQXCMMCRAACG-HNNXBMFYSA-N 1 1 245.341 3.104 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000766906673 585511247 /nfs/dbraw/zinc/51/12/47/585511247.db2.gz STPQXCMMCRAACG-OAHLLOKOSA-N 1 1 245.341 3.104 20 30 BGEDMO C#CCCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000766906779 585511114 /nfs/dbraw/zinc/51/11/14/585511114.db2.gz VJXBWRBLUFJPKM-UHFFFAOYSA-N 1 1 245.341 3.451 20 30 BGEDMO C#CCCC[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000766906791 585511289 /nfs/dbraw/zinc/51/12/89/585511289.db2.gz VSJNGIHTCWMTFL-GDBMZVCRSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CCCC[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000766906793 585511139 /nfs/dbraw/zinc/51/11/39/585511139.db2.gz VSJNGIHTCWMTFL-GOEBONIOSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CCCC[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000766906795 585511056 /nfs/dbraw/zinc/51/10/56/585511056.db2.gz VSJNGIHTCWMTFL-HOCLYGCPSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CCCC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000766906797 585511051 /nfs/dbraw/zinc/51/10/51/585511051.db2.gz VSJNGIHTCWMTFL-ZBFHGGJFSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H]1CCCCC ZINC000766907116 585511153 /nfs/dbraw/zinc/51/11/53/585511153.db2.gz VDSCVJIXLZASCI-AWEZNQCLSA-N 1 1 207.361 3.445 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H]1CCCCC ZINC000766907117 585511226 /nfs/dbraw/zinc/51/12/26/585511226.db2.gz VDSCVJIXLZASCI-CQSZACIVSA-N 1 1 207.361 3.445 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000766907216 585511282 /nfs/dbraw/zinc/51/12/82/585511282.db2.gz ZMJQEBYDDQWRCQ-KRWDZBQOSA-N 1 1 241.378 3.454 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000766907218 585511198 /nfs/dbraw/zinc/51/11/98/585511198.db2.gz ZMJQEBYDDQWRCQ-QGZVFWFLSA-N 1 1 241.378 3.454 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000766907262 585511040 /nfs/dbraw/zinc/51/10/40/585511040.db2.gz XOSNYMKTQVJUQB-GDBMZVCRSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000766907263 585511367 /nfs/dbraw/zinc/51/13/67/585511367.db2.gz XOSNYMKTQVJUQB-GOEBONIOSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000766907264 585511200 /nfs/dbraw/zinc/51/12/00/585511200.db2.gz XOSNYMKTQVJUQB-HOCLYGCPSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000766907265 585511342 /nfs/dbraw/zinc/51/13/42/585511342.db2.gz XOSNYMKTQVJUQB-ZBFHGGJFSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CCCC[N@H+](C(C)C)C1CCCCC1 ZINC000766916916 585511401 /nfs/dbraw/zinc/51/14/01/585511401.db2.gz JEXXSGVQAFHMPU-UHFFFAOYSA-N 1 1 207.361 3.443 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H](C)[C@@H]1CCC ZINC000766921008 585511726 /nfs/dbraw/zinc/51/17/26/585511726.db2.gz SJRJFGWZJWFUGE-KBPBESRZSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCC ZINC000766921011 585511743 /nfs/dbraw/zinc/51/17/43/585511743.db2.gz SJRJFGWZJWFUGE-KGLIPLIRSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H](C)[C@H]1CCC ZINC000766921013 585511935 /nfs/dbraw/zinc/51/19/35/585511935.db2.gz SJRJFGWZJWFUGE-UONOGXRCSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC ZINC000766921015 585511921 /nfs/dbraw/zinc/51/19/21/585511921.db2.gz SJRJFGWZJWFUGE-ZIAGYGMSSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CCCC[C@H]1CC(C)C ZINC000766921836 585511941 /nfs/dbraw/zinc/51/19/41/585511941.db2.gz IVYGTUDVKGEHCN-AWEZNQCLSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000766921838 585511810 /nfs/dbraw/zinc/51/18/10/585511810.db2.gz IVYGTUDVKGEHCN-CQSZACIVSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000766934262 585512303 /nfs/dbraw/zinc/51/23/03/585512303.db2.gz FIRLNVLBARDGCM-UHFFFAOYSA-N 1 1 245.366 3.319 20 30 BGEDMO C#CCCC[N@H+]1CCCC12CCCCC2 ZINC000766935878 585512200 /nfs/dbraw/zinc/51/22/00/585512200.db2.gz BSKJLWFOTFFVRU-UHFFFAOYSA-N 1 1 205.345 3.199 20 30 BGEDMO C#CCCC[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000766939193 585512071 /nfs/dbraw/zinc/51/20/71/585512071.db2.gz VVQVCWKVTSZNCY-UHFFFAOYSA-N 1 1 227.351 3.193 20 30 BGEDMO C#CCCC[N@H+](CCC)CCc1cccs1 ZINC000766939727 585512154 /nfs/dbraw/zinc/51/21/54/585512154.db2.gz QBISBKOOGWYWQD-UHFFFAOYSA-N 1 1 235.396 3.416 20 30 BGEDMO C#CCCC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000766940130 585512124 /nfs/dbraw/zinc/51/21/24/585512124.db2.gz KNUDPFBMWRTUHA-UHFFFAOYSA-N 1 1 239.721 3.324 20 30 BGEDMO C=C(Cl)C[N@H+]1CCSC(CC)(CC)C1 ZINC000766987370 585512386 /nfs/dbraw/zinc/51/23/86/585512386.db2.gz XHSGRUNBAHGIAN-UHFFFAOYSA-N 1 1 233.808 3.347 20 30 BGEDMO CCCCCCCC[N@H+]1CCN(C)CC1(C)C ZINC000767001616 585512371 /nfs/dbraw/zinc/51/23/71/585512371.db2.gz XAFSDGRCEJKISN-UHFFFAOYSA-N 1 1 240.435 3.373 20 30 BGEDMO C#CCCC[N@H+]1CCSC(CC)(CC)C1 ZINC000767020794 585512913 /nfs/dbraw/zinc/51/29/13/585512913.db2.gz ZXHJHECJHVESMI-UHFFFAOYSA-N 1 1 225.401 3.007 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000767117973 585514596 /nfs/dbraw/zinc/51/45/96/585514596.db2.gz VILCSLUJCVJSLB-AWEZNQCLSA-N 1 1 249.402 3.180 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000767117976 585514390 /nfs/dbraw/zinc/51/43/90/585514390.db2.gz VILCSLUJCVJSLB-CQSZACIVSA-N 1 1 249.402 3.180 20 30 BGEDMO CCCCCCCC[N@@H+](C)Cc1ncc[nH]1 ZINC000767118017 585514375 /nfs/dbraw/zinc/51/43/75/585514375.db2.gz VOKNECIOINJLBN-UHFFFAOYSA-N 1 1 223.364 3.202 20 30 BGEDMO CCCCCCCC[N@H+](C)Cc1ncc[nH]1 ZINC000767118017 585514374 /nfs/dbraw/zinc/51/43/74/585514374.db2.gz VOKNECIOINJLBN-UHFFFAOYSA-N 1 1 223.364 3.202 20 30 BGEDMO C#CC[N@H+](CC/C=C/CC)C1CCCC1 ZINC000767324696 585516543 /nfs/dbraw/zinc/51/65/43/585516543.db2.gz PWSQLWIILSBGAQ-AATRIKPKSA-N 1 1 205.345 3.221 20 30 BGEDMO C#CC[N@H+](CC/C=C\CC)C1CCCC1 ZINC000767324701 585516621 /nfs/dbraw/zinc/51/66/21/585516621.db2.gz PWSQLWIILSBGAQ-WAYWQWQTSA-N 1 1 205.345 3.221 20 30 BGEDMO CC/C=C/CC[N@@H+](CCC#N)CC(C)C ZINC000767327235 585516776 /nfs/dbraw/zinc/51/67/76/585516776.db2.gz KXFJDJOIGJOFCQ-AATRIKPKSA-N 1 1 208.349 3.214 20 30 BGEDMO CC/C=C\CC[N@@H+](CCC#N)CC(C)C ZINC000767327248 585516618 /nfs/dbraw/zinc/51/66/18/585516618.db2.gz KXFJDJOIGJOFCQ-WAYWQWQTSA-N 1 1 208.349 3.214 20 30 BGEDMO C=CC[N@@H+](CCC(=O)C1CC1)Cc1cccs1 ZINC000767358390 585517855 /nfs/dbraw/zinc/51/78/55/585517855.db2.gz FNEYHVTXTRYRRH-UHFFFAOYSA-N 1 1 249.379 3.105 20 30 BGEDMO C=CC[N@@H+](CCC(=O)C1CC1)Cc1ccccc1 ZINC000767362696 585517814 /nfs/dbraw/zinc/51/78/14/585517814.db2.gz ORBPUBOTTPUIND-UHFFFAOYSA-N 1 1 243.350 3.044 20 30 BGEDMO C=CC[N@@H+](CCC(=O)C1CC1)CC1CCCCC1 ZINC000767374524 585518403 /nfs/dbraw/zinc/51/84/03/585518403.db2.gz JSEOEWOZKHVRBX-UHFFFAOYSA-N 1 1 249.398 3.424 20 30 BGEDMO C=CCCCCC[N@H+](C)CCC(=O)C1CC1 ZINC000767405843 585519566 /nfs/dbraw/zinc/51/95/66/585519566.db2.gz VRDNURASWAMEOE-UHFFFAOYSA-N 1 1 223.360 3.034 20 30 BGEDMO C#C[C@H](C)N(C)c1cc[nH+]c2ccc(Cl)cc21 ZINC000767440043 585520179 /nfs/dbraw/zinc/52/01/79/585520179.db2.gz QBDMONUWBMSYLJ-JTQLQIEISA-N 1 1 244.725 3.346 20 30 BGEDMO C#C[C@@H](C)N(C)c1cc[nH+]c2ccc(Cl)cc21 ZINC000767440044 585520330 /nfs/dbraw/zinc/52/03/30/585520330.db2.gz QBDMONUWBMSYLJ-SNVBAGLBSA-N 1 1 244.725 3.346 20 30 BGEDMO C#C[C@H](C)N(C)c1cc[nH+]c2cc(Cl)ccc21 ZINC000767443639 585520323 /nfs/dbraw/zinc/52/03/23/585520323.db2.gz YFUBMIHLWPWAQU-JTQLQIEISA-N 1 1 244.725 3.346 20 30 BGEDMO C#C[C@@H](C)N(C)c1cc[nH+]c2cc(Cl)ccc21 ZINC000767443642 585520345 /nfs/dbraw/zinc/52/03/45/585520345.db2.gz YFUBMIHLWPWAQU-SNVBAGLBSA-N 1 1 244.725 3.346 20 30 BGEDMO CCO[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000767470633 585520743 /nfs/dbraw/zinc/52/07/43/585520743.db2.gz WBWRXVIWYJIOCP-UHFFFAOYSA-N 1 1 238.356 3.109 20 30 BGEDMO CCCCCCC[NH2+]C1(C(=O)OC)CCCC1 ZINC000767515465 585521436 /nfs/dbraw/zinc/52/14/36/585521436.db2.gz KDWHXNCHOCDYGV-UHFFFAOYSA-N 1 1 241.375 3.032 20 30 BGEDMO C#CCCC[N@@H+]1Cc2ccccc2C[C@@H]1CC ZINC000767885340 585527271 /nfs/dbraw/zinc/52/72/71/585527271.db2.gz ZKTPBIYKIVDIDE-INIZCTEOSA-N 1 1 227.351 3.237 20 30 BGEDMO C#CCCC[N@@H+]1Cc2ccccc2C[C@H]1CC ZINC000767885343 585527144 /nfs/dbraw/zinc/52/71/44/585527144.db2.gz ZKTPBIYKIVDIDE-MRXNPFEDSA-N 1 1 227.351 3.237 20 30 BGEDMO C#CC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000767906348 585528005 /nfs/dbraw/zinc/52/80/05/585528005.db2.gz MUFMAKBENKWTBO-INIZCTEOSA-N 1 1 227.351 3.107 20 30 BGEDMO C#CC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000767906349 585528088 /nfs/dbraw/zinc/52/80/88/585528088.db2.gz MUFMAKBENKWTBO-MRXNPFEDSA-N 1 1 227.351 3.107 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000767933812 585528535 /nfs/dbraw/zinc/52/85/35/585528535.db2.gz BPQITMRHBMPIAL-KRWDZBQOSA-N 1 1 241.378 3.497 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000767933813 585528349 /nfs/dbraw/zinc/52/83/49/585528349.db2.gz BPQITMRHBMPIAL-QGZVFWFLSA-N 1 1 241.378 3.497 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000767936924 585528415 /nfs/dbraw/zinc/52/84/15/585528415.db2.gz WJNOYOWGCZXUSJ-INIZCTEOSA-N 1 1 227.351 3.107 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000767936925 585528397 /nfs/dbraw/zinc/52/83/97/585528397.db2.gz WJNOYOWGCZXUSJ-MRXNPFEDSA-N 1 1 227.351 3.107 20 30 BGEDMO C=CC[NH+](CC=C)Cc1cnc(Cl)c(C)c1 ZINC000768138449 585532807 /nfs/dbraw/zinc/53/28/07/585532807.db2.gz VYJSOIGPDLYDAA-UHFFFAOYSA-N 1 1 236.746 3.217 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1ccc2c(c1)COC2 ZINC000768140334 585532994 /nfs/dbraw/zinc/53/29/94/585532994.db2.gz NLTNALOJGODUAI-UHFFFAOYSA-N 1 1 231.339 3.115 20 30 BGEDMO C#CCOc1ccccc1C[N@@H+](CC)CC(=C)C ZINC000768140652 585532590 /nfs/dbraw/zinc/53/25/90/585532590.db2.gz RHHWHPDQFARHDD-UHFFFAOYSA-N 1 1 243.350 3.097 20 30 BGEDMO C#CCOc1ccc(C[N@@H+](CC)CC(=C)C)cc1 ZINC000768140712 585533000 /nfs/dbraw/zinc/53/30/00/585533000.db2.gz UUMFSXKXCCSEBH-UHFFFAOYSA-N 1 1 243.350 3.097 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1cnc(Cl)c(C)c1 ZINC000768140867 585532842 /nfs/dbraw/zinc/53/28/42/585532842.db2.gz XXZCWOXEMXYCKB-UHFFFAOYSA-N 1 1 238.762 3.441 20 30 BGEDMO C#CCCOc1ccc(C[N@H+](C)CCCC)cc1 ZINC000768142742 585533317 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/nfs/dbraw/zinc/54/93/49/585549349.db2.gz LEDSZWXAPGPHTR-WYMLVPIESA-N 1 1 213.324 3.045 20 30 BGEDMO C#CC[N@H+](Cc1cccc(O)c1)C1CCCCC1 ZINC000769145259 585549915 /nfs/dbraw/zinc/54/99/15/585549915.db2.gz GPEDDDDVCDBLPW-UHFFFAOYSA-N 1 1 243.350 3.160 20 30 BGEDMO C#CC[N@H+](Cc1cccnc1C)C1CCCCC1 ZINC000769146311 585550155 /nfs/dbraw/zinc/55/01/55/585550155.db2.gz SJGFFYAMKMRJDZ-UHFFFAOYSA-N 1 1 242.366 3.158 20 30 BGEDMO C#CC[N@H+](Cc1ccc(C)o1)C1CCCCC1 ZINC000769146389 585550073 /nfs/dbraw/zinc/55/00/73/585550073.db2.gz USPAIBUSOGHKJG-UHFFFAOYSA-N 1 1 231.339 3.356 20 30 BGEDMO C#CC[N@H+](Cc1occc1C)C1CCCCC1 ZINC000769146437 585550037 /nfs/dbraw/zinc/55/00/37/585550037.db2.gz YSYTTWIGNFJPRB-UHFFFAOYSA-N 1 1 231.339 3.356 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769229072 585551343 /nfs/dbraw/zinc/55/13/43/585551343.db2.gz VIUZDODNCCLPKK-GFCCVEGCSA-N 1 1 249.304 3.168 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000769229073 585551262 /nfs/dbraw/zinc/55/12/62/585551262.db2.gz VIUZDODNCCLPKK-LBPRGKRZSA-N 1 1 249.304 3.168 20 30 BGEDMO C#CCOc1ccc(C[N@@H+]2CCCC2(C)C)cc1 ZINC000769238548 585551659 /nfs/dbraw/zinc/55/16/59/585551659.db2.gz DAAJSFMPSDRIFL-UHFFFAOYSA-N 1 1 243.350 3.073 20 30 BGEDMO C#CCOc1ccc(C[N@H+](C)C(C)(C)CC)cc1 ZINC000769382210 585555075 /nfs/dbraw/zinc/55/50/75/585555075.db2.gz SGTZOTBFUJNHNO-UHFFFAOYSA-N 1 1 245.366 3.319 20 30 BGEDMO C=CC[N@H+](CCCC1CCOCC1)C(C)C ZINC000769433024 585556270 /nfs/dbraw/zinc/55/62/70/585556270.db2.gz JOVWFECRTMVAKW-UHFFFAOYSA-N 1 1 225.376 3.090 20 30 BGEDMO C#CCOc1ccc(C[N@@H+](C)CCCC=C)cc1 ZINC000769462694 585557435 /nfs/dbraw/zinc/55/74/35/585557435.db2.gz LDJYHTUWGSDMIC-UHFFFAOYSA-N 1 1 243.350 3.097 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769463120 585557741 /nfs/dbraw/zinc/55/77/41/585557741.db2.gz MOMAAHLOWVSAMS-UHFFFAOYSA-N 1 1 246.398 3.146 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000769463195 585557462 /nfs/dbraw/zinc/55/74/62/585557462.db2.gz OCACJGQSDYHEPE-UHFFFAOYSA-N 1 1 238.762 3.441 20 30 BGEDMO C#CCOc1ccccc1C[N@H+](CC)C1CCC1 ZINC000769466550 585557935 /nfs/dbraw/zinc/55/79/35/585557935.db2.gz LORXWLCMOHBYAJ-UHFFFAOYSA-N 1 1 243.350 3.073 20 30 BGEDMO C#CCOc1ccc(C[N@H+](CC)C2CCC2)cc1 ZINC000769467350 585557833 /nfs/dbraw/zinc/55/78/33/585557833.db2.gz UZSUZGYCKFOBCL-UHFFFAOYSA-N 1 1 243.350 3.073 20 30 BGEDMO C#CC[N@H+](Cc1cc(F)cc(F)c1)C1CCCC1 ZINC000769529853 585558769 /nfs/dbraw/zinc/55/87/69/585558769.db2.gz GVKVFSFCHDDZPT-UHFFFAOYSA-N 1 1 249.304 3.343 20 30 BGEDMO C#CC[N@H+](Cc1ccc(C)s1)C1CCCC1 ZINC000769530409 585558828 /nfs/dbraw/zinc/55/88/28/585558828.db2.gz NVJARKSSBLCHQW-UHFFFAOYSA-N 1 1 233.380 3.434 20 30 BGEDMO C#CC[N@@H+](C[C@H]1CC=CCC1)C1CCCC1 ZINC000769531023 585558835 /nfs/dbraw/zinc/55/88/35/585558835.db2.gz QLNZFEVWRQEFLD-AWEZNQCLSA-N 1 1 217.356 3.221 20 30 BGEDMO C#CC[N@@H+](C[C@@H]1CC=CCC1)C1CCCC1 ZINC000769531049 585558745 /nfs/dbraw/zinc/55/87/45/585558745.db2.gz QLNZFEVWRQEFLD-CQSZACIVSA-N 1 1 217.356 3.221 20 30 BGEDMO C#CC[N@H+](Cc1sccc1C)C1CCCC1 ZINC000769531071 585558680 /nfs/dbraw/zinc/55/86/80/585558680.db2.gz RDVHFSUONHYPFK-UHFFFAOYSA-N 1 1 233.380 3.434 20 30 BGEDMO C#CC[N@H+](Cc1ccc(CC)o1)C1CCCC1 ZINC000769531661 585559129 /nfs/dbraw/zinc/55/91/29/585559129.db2.gz VLWOYHFJRQMFJQ-UHFFFAOYSA-N 1 1 231.339 3.220 20 30 BGEDMO C#CC[N@H+](C)Cc1ccc(-c2ccsc2)cc1 ZINC000769799119 585563962 /nfs/dbraw/zinc/56/39/62/585563962.db2.gz COVCGYARCROAMM-UHFFFAOYSA-N 1 1 241.359 3.480 20 30 BGEDMO C#CC[N@H+](C)Cc1ccc(-c2cccs2)cc1 ZINC000769799666 585563781 /nfs/dbraw/zinc/56/37/81/585563781.db2.gz IERLCVUKZWFPFI-UHFFFAOYSA-N 1 1 241.359 3.480 20 30 BGEDMO Cc1cccc(F)c1N=NC1CCC[N@H+](C)CC1 ZINC000769839583 585565016 /nfs/dbraw/zinc/56/50/16/585565016.db2.gz DXYYZZSAVNDTIY-UHFFFAOYSA-N 1 1 249.333 3.018 20 30 BGEDMO C=C(Cl)C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000769846610 585565220 /nfs/dbraw/zinc/56/52/20/585565220.db2.gz QDZWVOYVIDALRH-UHFFFAOYSA-N 1 1 223.747 3.488 20 30 BGEDMO C=C(Cl)C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000769846610 585565219 /nfs/dbraw/zinc/56/52/19/585565219.db2.gz QDZWVOYVIDALRH-UHFFFAOYSA-N 1 1 223.747 3.488 20 30 BGEDMO C#CCCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000769848406 585565119 /nfs/dbraw/zinc/56/51/19/585565119.db2.gz YEDZOVNCKQQDKI-UHFFFAOYSA-N 1 1 215.340 3.149 20 30 BGEDMO C#CCCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000769855730 585565311 /nfs/dbraw/zinc/56/53/11/585565311.db2.gz ROIGIQXGDIYDLS-UHFFFAOYSA-N 1 1 239.721 3.324 20 30 BGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000769865759 585565535 /nfs/dbraw/zinc/56/55/35/585565535.db2.gz QCRCGONSKHWHNV-MRVPVSSYSA-N 1 1 227.657 3.013 20 30 BGEDMO C=C(Cl)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000769865759 585565534 /nfs/dbraw/zinc/56/55/34/585565534.db2.gz QCRCGONSKHWHNV-MRVPVSSYSA-N 1 1 227.657 3.013 20 30 BGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000769865760 585565579 /nfs/dbraw/zinc/56/55/79/585565579.db2.gz QCRCGONSKHWHNV-QMMMGPOBSA-N 1 1 227.657 3.013 20 30 BGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000769865760 585565578 /nfs/dbraw/zinc/56/55/78/585565578.db2.gz QCRCGONSKHWHNV-QMMMGPOBSA-N 1 1 227.657 3.013 20 30 BGEDMO CCCCCCC[N@H+]1CCC12CCOCC2 ZINC000769894959 585566313 /nfs/dbraw/zinc/56/63/13/585566313.db2.gz ZPMAEYHBLQVCSQ-UHFFFAOYSA-N 1 1 225.376 3.212 20 30 BGEDMO C=CC[C@H]1[N@@H+](CCC(C)=O)CCCC1(C)C ZINC000769952611 585567301 /nfs/dbraw/zinc/56/73/01/585567301.db2.gz FEASLTYAHBJLGG-CYBMUJFWSA-N 1 1 223.360 3.032 20 30 BGEDMO C=CC[C@@H]1[N@@H+](CCC(C)=O)CCCC1(C)C ZINC000769952612 585567092 /nfs/dbraw/zinc/56/70/92/585567092.db2.gz FEASLTYAHBJLGG-ZDUSSCGKSA-N 1 1 223.360 3.032 20 30 BGEDMO C#CCCC[N@@H+]1CCCC(C)(C)[C@@H]1CC=C ZINC000769953092 585567063 /nfs/dbraw/zinc/56/70/63/585567063.db2.gz INVYGSWVNDMYHY-AWEZNQCLSA-N 1 1 219.372 3.467 20 30 BGEDMO C#CCCC[N@@H+]1CCCC(C)(C)[C@H]1CC=C ZINC000769953118 585567288 /nfs/dbraw/zinc/56/72/88/585567288.db2.gz INVYGSWVNDMYHY-CQSZACIVSA-N 1 1 219.372 3.467 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(CCC)cc1 ZINC000769953272 585567105 /nfs/dbraw/zinc/56/71/05/585567105.db2.gz JRCJQFXQNYCRBC-CYBMUJFWSA-N 1 1 215.340 3.093 20 30 BGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(CCC)cc1 ZINC000769953276 585567333 /nfs/dbraw/zinc/56/73/33/585567333.db2.gz JRCJQFXQNYCRBC-ZDUSSCGKSA-N 1 1 215.340 3.093 20 30 BGEDMO C=CC[C@@H]1[N@H+](CCC(=O)C2CC2)CCCC1(C)C ZINC000769953395 585567278 /nfs/dbraw/zinc/56/72/78/585567278.db2.gz KSVPWYBFOCMFKE-HNNXBMFYSA-N 1 1 249.398 3.422 20 30 BGEDMO C=CC[C@H]1[N@H+](CCC(=O)C2CC2)CCCC1(C)C ZINC000769953396 585567000 /nfs/dbraw/zinc/56/70/00/585567000.db2.gz KSVPWYBFOCMFKE-OAHLLOKOSA-N 1 1 249.398 3.422 20 30 BGEDMO C#CCC[N@@H+]1CCCC(C)(C)[C@H]1CC=C ZINC000769954141 584974152 /nfs/dbraw/zinc/97/41/52/584974152.db2.gz RSMQPDWLLWBCAO-CYBMUJFWSA-N 1 1 205.345 3.076 20 30 BGEDMO C#CCC[N@@H+]1CCCC(C)(C)[C@@H]1CC=C ZINC000769954152 584974089 /nfs/dbraw/zinc/97/40/89/584974089.db2.gz RSMQPDWLLWBCAO-ZDUSSCGKSA-N 1 1 205.345 3.076 20 30 BGEDMO C=CC[C@@H]1[N@@H+](CCC(=O)CC)CCCC1(C)C ZINC000769954541 585567240 /nfs/dbraw/zinc/56/72/40/585567240.db2.gz UYLJCQHVKOAQMG-AWEZNQCLSA-N 1 1 237.387 3.422 20 30 BGEDMO C=CC[C@H]1[N@@H+](CCC(=O)CC)CCCC1(C)C ZINC000769954546 585567339 /nfs/dbraw/zinc/56/73/39/585567339.db2.gz UYLJCQHVKOAQMG-CQSZACIVSA-N 1 1 237.387 3.422 20 30 BGEDMO C#CCC[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769954719 585567129 /nfs/dbraw/zinc/56/71/29/585567129.db2.gz TYTVKSNWYQFWRD-NEPJUHHUSA-N 1 1 231.314 3.157 20 30 BGEDMO C#CCC[N@@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000769954721 585567065 /nfs/dbraw/zinc/56/70/65/585567065.db2.gz TYTVKSNWYQFWRD-NWDGAFQWSA-N 1 1 231.314 3.157 20 30 BGEDMO C#CCC[N@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769954723 585567110 /nfs/dbraw/zinc/56/71/10/585567110.db2.gz TYTVKSNWYQFWRD-RYUDHWBXSA-N 1 1 231.314 3.157 20 30 BGEDMO C#CCC[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000769954724 585567327 /nfs/dbraw/zinc/56/73/27/585567327.db2.gz TYTVKSNWYQFWRD-VXGBXAGGSA-N 1 1 231.314 3.157 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)CCCOc1cc(C)ccc1C ZINC000769960596 585567424 /nfs/dbraw/zinc/56/74/24/585567424.db2.gz DSRISKCQLQXKRA-HNNXBMFYSA-N 1 1 245.366 3.026 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)CCCOc1cc(C)ccc1C ZINC000769960601 585567714 /nfs/dbraw/zinc/56/77/14/585567714.db2.gz DSRISKCQLQXKRA-OAHLLOKOSA-N 1 1 245.366 3.026 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC000769960886 585567500 /nfs/dbraw/zinc/56/75/00/585567500.db2.gz CJHFPSIMBKSGEF-AWEZNQCLSA-N 1 1 215.340 3.065 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC000769960889 585567719 /nfs/dbraw/zinc/56/77/19/585567719.db2.gz CJHFPSIMBKSGEF-CQSZACIVSA-N 1 1 215.340 3.065 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)C/C=C/c1ccc(Cl)cc1 ZINC000769961002 585567709 /nfs/dbraw/zinc/56/77/09/585567709.db2.gz KOGQBKLMMKIKCR-BTDICHCPSA-N 1 1 233.742 3.307 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)C/C=C\c1ccc(Cl)cc1 ZINC000769961003 585567587 /nfs/dbraw/zinc/56/75/87/585567587.db2.gz KOGQBKLMMKIKCR-FJOGCWAESA-N 1 1 233.742 3.307 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)C/C=C\c1ccc(Cl)cc1 ZINC000769961004 585567655 /nfs/dbraw/zinc/56/76/55/585567655.db2.gz KOGQBKLMMKIKCR-FOQNGQEVSA-N 1 1 233.742 3.307 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)C/C=C/c1ccc(Cl)cc1 ZINC000769961005 585566854 /nfs/dbraw/zinc/56/68/54/585566854.db2.gz KOGQBKLMMKIKCR-FYJFLYSWSA-N 1 1 233.742 3.307 20 30 BGEDMO C#CCC[N@@H+]1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000769961259 585567411 /nfs/dbraw/zinc/56/74/11/585567411.db2.gz IYDJPNDSSMRFCN-UHFFFAOYSA-N 1 1 239.362 3.416 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000769961716 585567669 /nfs/dbraw/zinc/56/76/69/585567669.db2.gz STPGRXQIIJLCCH-CYBMUJFWSA-N 1 1 223.319 3.293 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000769961722 585567684 /nfs/dbraw/zinc/56/76/84/585567684.db2.gz STPGRXQIIJLCCH-ZDUSSCGKSA-N 1 1 223.319 3.293 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000769962010 585567357 /nfs/dbraw/zinc/56/73/57/585567357.db2.gz OJMQCHWCQDFXDU-JTQLQIEISA-N 1 1 241.256 3.159 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000769962011 585567336 /nfs/dbraw/zinc/56/73/36/585567336.db2.gz OJMQCHWCQDFXDU-SNVBAGLBSA-N 1 1 241.256 3.159 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)CCCc1ccccc1Cl ZINC000769962025 585567665 /nfs/dbraw/zinc/56/76/65/585567665.db2.gz PHJLKRHQMUEDQQ-GFCCVEGCSA-N 1 1 235.758 3.226 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)CCCc1ccccc1Cl ZINC000769962035 585567397 /nfs/dbraw/zinc/56/73/97/585567397.db2.gz PHJLKRHQMUEDQQ-LBPRGKRZSA-N 1 1 235.758 3.226 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc2ccccc2s1 ZINC000769962154 585567729 /nfs/dbraw/zinc/56/77/29/585567729.db2.gz RZESGVBIQNTMNC-LLVKDONJSA-N 1 1 229.348 3.355 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc2ccccc2s1 ZINC000769962157 585567428 /nfs/dbraw/zinc/56/74/28/585567428.db2.gz RZESGVBIQNTMNC-NSHDSACASA-N 1 1 229.348 3.355 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1csc2ccccc12 ZINC000769962173 585567687 /nfs/dbraw/zinc/56/76/87/585567687.db2.gz ZJPOQNJUPQGTGA-LLVKDONJSA-N 1 1 229.348 3.355 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1csc2ccccc12 ZINC000769962177 585567515 /nfs/dbraw/zinc/56/75/15/585567515.db2.gz ZJPOQNJUPQGTGA-NSHDSACASA-N 1 1 229.348 3.355 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)CCc1ccc2ccccc2c1 ZINC000769962210 585567566 /nfs/dbraw/zinc/56/75/66/585567566.db2.gz CLMPRNXFSBUVJX-AWEZNQCLSA-N 1 1 237.346 3.336 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)CCc1ccc2ccccc2c1 ZINC000769962215 643528632 /nfs/dbraw/zinc/52/86/32/643528632.db2.gz CLMPRNXFSBUVJX-CQSZACIVSA-N 1 1 237.346 3.336 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000769962929 585567934 /nfs/dbraw/zinc/56/79/34/585567934.db2.gz LOFIYOUUANRFCV-JTQLQIEISA-N 1 1 241.256 3.159 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000769962931 585567970 /nfs/dbraw/zinc/56/79/70/585567970.db2.gz LOFIYOUUANRFCV-SNVBAGLBSA-N 1 1 241.256 3.159 20 30 BGEDMO C#C[C@H](C)[N@H+](C)Cc1ccccc1OCC(C)C ZINC000769963064 585567904 /nfs/dbraw/zinc/56/79/04/585567904.db2.gz PYFUCZOHWJZLCE-AWEZNQCLSA-N 1 1 245.366 3.175 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccccc1OCC(C)C ZINC000769963067 585567540 /nfs/dbraw/zinc/56/75/40/585567540.db2.gz PYFUCZOHWJZLCE-CQSZACIVSA-N 1 1 245.366 3.175 20 30 BGEDMO C#CC[N@@H+]1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000769963075 585567922 /nfs/dbraw/zinc/56/79/22/585567922.db2.gz YXYIINCXIKVGBB-UHFFFAOYSA-N 1 1 225.335 3.026 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000769963130 585568040 /nfs/dbraw/zinc/56/80/40/585568040.db2.gz SKGVHUBGQUFNPI-JTQLQIEISA-N 1 1 241.256 3.159 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000769963131 585567927 /nfs/dbraw/zinc/56/79/27/585567927.db2.gz SKGVHUBGQUFNPI-SNVBAGLBSA-N 1 1 241.256 3.159 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1C ZINC000769963630 584974236 /nfs/dbraw/zinc/97/42/36/584974236.db2.gz YZEOQVRYKSQVIF-LLVKDONJSA-N 1 1 221.731 3.102 20 30 BGEDMO 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BGEDMO C#C[C@@H](C)[N@@H+](C)CCSc1ccc(C)c(C)c1 ZINC000769975672 585568209 /nfs/dbraw/zinc/56/82/09/585568209.db2.gz GSNBEJXNIWZDFD-CQSZACIVSA-N 1 1 247.407 3.349 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000769975894 585568184 /nfs/dbraw/zinc/56/81/84/585568184.db2.gz NPEIQHNRTJZXBT-SECBINFHSA-N 1 1 242.149 3.447 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000769975895 585568409 /nfs/dbraw/zinc/56/84/09/585568409.db2.gz NPEIQHNRTJZXBT-VIFPVBQESA-N 1 1 242.149 3.447 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000769976198 585568385 /nfs/dbraw/zinc/56/83/85/585568385.db2.gz WMXPAYLMXOURDM-SECBINFHSA-N 1 1 242.149 3.447 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000769976198 585568384 /nfs/dbraw/zinc/56/83/84/585568384.db2.gz WMXPAYLMXOURDM-SECBINFHSA-N 1 1 242.149 3.447 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000769976200 585568420 /nfs/dbraw/zinc/56/84/20/585568420.db2.gz WMXPAYLMXOURDM-VIFPVBQESA-N 1 1 242.149 3.447 20 30 BGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000769976200 585568419 /nfs/dbraw/zinc/56/84/19/585568419.db2.gz WMXPAYLMXOURDM-VIFPVBQESA-N 1 1 242.149 3.447 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)CCCSCc1ccccc1 ZINC000769977258 585568275 /nfs/dbraw/zinc/56/82/75/585568275.db2.gz CISYQEUVFWONHB-AWEZNQCLSA-N 1 1 247.407 3.263 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)CCCSCc1ccccc1 ZINC000769977260 585568348 /nfs/dbraw/zinc/56/83/48/585568348.db2.gz CISYQEUVFWONHB-CQSZACIVSA-N 1 1 247.407 3.263 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000769977587 585568309 /nfs/dbraw/zinc/56/83/09/585568309.db2.gz MBSLZWQQJWWLAE-CYBMUJFWSA-N 1 1 215.340 3.264 20 30 BGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000769977588 585568206 /nfs/dbraw/zinc/56/82/06/585568206.db2.gz MBSLZWQQJWWLAE-ZDUSSCGKSA-N 1 1 215.340 3.264 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)CCCOc1c(C)cccc1C ZINC000769978276 585568108 /nfs/dbraw/zinc/56/81/08/585568108.db2.gz VELWXTGOFZACRD-HNNXBMFYSA-N 1 1 245.366 3.026 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)CCCOc1c(C)cccc1C ZINC000769978278 585568122 /nfs/dbraw/zinc/56/81/22/585568122.db2.gz VELWXTGOFZACRD-OAHLLOKOSA-N 1 1 245.366 3.026 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)CCCc1ccc(Cl)cc1 ZINC000769978519 585568306 /nfs/dbraw/zinc/56/83/06/585568306.db2.gz ZCTHORFUCSFDOK-GFCCVEGCSA-N 1 1 235.758 3.226 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)CCCc1ccc(Cl)cc1 ZINC000769978523 585568087 /nfs/dbraw/zinc/56/80/87/585568087.db2.gz ZCTHORFUCSFDOK-LBPRGKRZSA-N 1 1 235.758 3.226 20 30 BGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC12CCC2 ZINC000769985270 585568574 /nfs/dbraw/zinc/56/85/74/585568574.db2.gz WWURGKJLEVCQPD-UHFFFAOYSA-N 1 1 240.350 3.385 20 30 BGEDMO CCCCCCCCC[N@@H+](C)[C@H]1CCOC1 ZINC000770509583 585575339 /nfs/dbraw/zinc/57/53/39/585575339.db2.gz PDXYDSXBRIUAGE-AWEZNQCLSA-N 1 1 227.392 3.458 20 30 BGEDMO CCCCCCCCC[N@@H+](C)[C@@H]1CCOC1 ZINC000770509591 585575013 /nfs/dbraw/zinc/57/50/13/585575013.db2.gz PDXYDSXBRIUAGE-CQSZACIVSA-N 1 1 227.392 3.458 20 30 BGEDMO C#CC[N@H+](CC)Cc1cccc(SCC)c1 ZINC000770637096 585578342 /nfs/dbraw/zinc/57/83/42/585578342.db2.gz XEIHUVOFAARDND-UHFFFAOYSA-N 1 1 233.380 3.254 20 30 BGEDMO C#CC[N@H+](Cc1cccc(SCC)c1)C1CC1 ZINC000770664422 585579260 /nfs/dbraw/zinc/57/92/60/585579260.db2.gz IBQMUCCLPFTQOA-UHFFFAOYSA-N 1 1 245.391 3.396 20 30 BGEDMO CCCCCCCC[N@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000771459507 585594592 /nfs/dbraw/zinc/59/45/92/585594592.db2.gz LHVKHMFZJNEGIQ-CABCVRRESA-N 1 1 240.435 3.371 20 30 BGEDMO CCCCCCCC[N@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000771459509 585594723 /nfs/dbraw/zinc/59/47/23/585594723.db2.gz LHVKHMFZJNEGIQ-GJZGRUSLSA-N 1 1 240.435 3.371 20 30 BGEDMO CCCCCCCC[N@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000771459510 585594612 /nfs/dbraw/zinc/59/46/12/585594612.db2.gz LHVKHMFZJNEGIQ-HUUCEWRRSA-N 1 1 240.435 3.371 20 30 BGEDMO CCCCCCCC[N@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000771459513 585594748 /nfs/dbraw/zinc/59/47/48/585594748.db2.gz LHVKHMFZJNEGIQ-LSDHHAIUSA-N 1 1 240.435 3.371 20 30 BGEDMO 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CCC[N@@H+](CC)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000771935795 585604899 /nfs/dbraw/zinc/60/48/99/585604899.db2.gz XWBNAHWKFZCYBY-ZDUSSCGKSA-N 1 1 246.354 3.209 20 30 BGEDMO C#CC[N@H+](Cc1ncccc1C)C1CCCCC1 ZINC000772175481 585609435 /nfs/dbraw/zinc/60/94/35/585609435.db2.gz ORGWJDJKTBJPCS-UHFFFAOYSA-N 1 1 242.366 3.158 20 30 BGEDMO C#CCC[N@@H+]1CC=C(c2ccc(CC)cc2)CC1 ZINC000772353335 585613204 /nfs/dbraw/zinc/61/32/04/585613204.db2.gz AIHBJZNXTXSOSE-UHFFFAOYSA-N 1 1 239.362 3.361 20 30 BGEDMO C=CC[N@H+](CCOc1ccccc1C)C1CC1 ZINC000772380613 585613749 /nfs/dbraw/zinc/61/37/49/585613749.db2.gz GLSKJYMLZZSLRL-UHFFFAOYSA-N 1 1 231.339 3.024 20 30 BGEDMO C=CC[N@H+](CCOc1ccc(C)cc1)C1CC1 ZINC000772383699 585613863 /nfs/dbraw/zinc/61/38/63/585613863.db2.gz XDGNXNXSNFHHNX-UHFFFAOYSA-N 1 1 231.339 3.024 20 30 BGEDMO C=CCCCCC[N@H+](C)CC1(O)CCCCC1 ZINC000772777110 585623352 /nfs/dbraw/zinc/62/33/52/585623352.db2.gz MJHOWIIQFWARMI-UHFFFAOYSA-N 1 1 239.403 3.360 20 30 BGEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccoc1 ZINC000773030798 585629682 /nfs/dbraw/zinc/62/96/82/585629682.db2.gz UNBDYISBCDZIEM-JTQLQIEISA-N 1 1 244.269 3.141 20 30 BGEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccoc1 ZINC000773030799 585629691 /nfs/dbraw/zinc/62/96/91/585629691.db2.gz UNBDYISBCDZIEM-SNVBAGLBSA-N 1 1 244.269 3.141 20 30 BGEDMO C=C(CC)CO[NH+]=C(N)C1CCCCC1 ZINC000773177023 585632927 /nfs/dbraw/zinc/63/29/27/585632927.db2.gz DXJLQWZEHJVCNF-UHFFFAOYSA-N 1 1 210.321 3.031 20 30 BGEDMO C=C(CC)CO[NH+]=C(N)CCc1ccccc1 ZINC000773177379 585633187 /nfs/dbraw/zinc/63/31/87/585633187.db2.gz IBCWXZLVNDPJTD-UHFFFAOYSA-N 1 1 232.327 3.084 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000773408199 585636378 /nfs/dbraw/zinc/63/63/78/585636378.db2.gz GMKBRWRGMWOJNT-CYBMUJFWSA-N 1 1 220.316 3.086 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000773408201 585636357 /nfs/dbraw/zinc/63/63/57/585636357.db2.gz GMKBRWRGMWOJNT-ZDUSSCGKSA-N 1 1 220.316 3.086 20 30 BGEDMO 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C=C(CC)C[N@H+]1CCc2c(C)cccc2C1 ZINC000773428709 585636771 /nfs/dbraw/zinc/63/67/71/585636771.db2.gz QWAOMUJEVULRQO-UHFFFAOYSA-N 1 1 215.340 3.319 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000773430369 585636604 /nfs/dbraw/zinc/63/66/04/585636604.db2.gz QPTMYVLCPGMWBB-KBPBESRZSA-N 1 1 249.354 3.134 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000773430371 585636622 /nfs/dbraw/zinc/63/66/22/585636622.db2.gz QPTMYVLCPGMWBB-KGLIPLIRSA-N 1 1 249.354 3.134 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000773430372 585636686 /nfs/dbraw/zinc/63/66/86/585636686.db2.gz QPTMYVLCPGMWBB-UONOGXRCSA-N 1 1 249.354 3.134 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000773430373 585636735 /nfs/dbraw/zinc/63/67/35/585636735.db2.gz QPTMYVLCPGMWBB-ZIAGYGMSSA-N 1 1 249.354 3.134 20 30 BGEDMO C=C(CC)C[N@@H+](C)CCc1ccccc1F ZINC000773432911 585636799 /nfs/dbraw/zinc/63/67/99/585636799.db2.gz YEPQIIOGHWDAPJ-UHFFFAOYSA-N 1 1 221.319 3.266 20 30 BGEDMO CCCCCCCC[N@H+]1CCc2n[nH]cc2C1 ZINC000773501516 585638368 /nfs/dbraw/zinc/63/83/68/585638368.db2.gz ASAFWQHECLTJHE-UHFFFAOYSA-N 1 1 235.375 3.128 20 30 BGEDMO C#CC[N@H+](CC)Cc1ccc(C)cc1Cl ZINC000773755980 644696381 /nfs/dbraw/zinc/69/63/81/644696381.db2.gz SKQCOJWCHAUUHM-UHFFFAOYSA-N 1 1 221.731 3.104 20 30 BGEDMO C#CC[N@@H+](CC)Cc1ccc(C)cc1Cl ZINC000773755980 644696376 /nfs/dbraw/zinc/69/63/76/644696376.db2.gz SKQCOJWCHAUUHM-UHFFFAOYSA-N 1 1 221.731 3.104 20 30 BGEDMO C#CCCC[N@H+]1CCc2ccccc2C1(C)C ZINC000773762050 585643476 /nfs/dbraw/zinc/64/34/76/585643476.db2.gz STTCYFZDKUGBHQ-UHFFFAOYSA-N 1 1 227.351 3.193 20 30 BGEDMO C=CC[N@H+](Cc1ccc(N(C)CC)cc1)C1CC1 ZINC000773816906 585644210 /nfs/dbraw/zinc/64/42/10/585644210.db2.gz HXCQVHJCFDWZCA-UHFFFAOYSA-N 1 1 244.382 3.293 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000773837277 585644809 /nfs/dbraw/zinc/64/48/09/585644809.db2.gz ZRSZKAZLPPTLJR-UHFFFAOYSA-N 1 1 232.371 3.151 20 30 BGEDMO C#CC[N@H+](Cc1ccc(C)cc1Cl)C1CC1 ZINC000773843810 585644815 /nfs/dbraw/zinc/64/48/15/585644815.db2.gz FZSWAAJKXVJUKJ-UHFFFAOYSA-N 1 1 233.742 3.246 20 30 BGEDMO C#CC[N@@H+](Cc1ccc(C)cc1Cl)C1CC1 ZINC000773843810 585644814 /nfs/dbraw/zinc/64/48/14/585644814.db2.gz FZSWAAJKXVJUKJ-UHFFFAOYSA-N 1 1 233.742 3.246 20 30 BGEDMO C#CC[N@@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC000773887198 585645801 /nfs/dbraw/zinc/64/58/01/585645801.db2.gz CXJLPDWAMCNHKN-UHFFFAOYSA-N 1 1 242.149 3.101 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000773887808 585645763 /nfs/dbraw/zinc/64/57/63/585645763.db2.gz HVEDOTWSHIMXPO-UHFFFAOYSA-N 1 1 232.371 3.151 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1Cl ZINC000773893761 585645991 /nfs/dbraw/zinc/64/59/91/585645991.db2.gz DHHQQDZXMNZLAN-LLVKDONJSA-N 1 1 221.731 3.102 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(C)cc1Cl ZINC000773893761 585645990 /nfs/dbraw/zinc/64/59/90/585645990.db2.gz DHHQQDZXMNZLAN-LLVKDONJSA-N 1 1 221.731 3.102 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C)cc1Cl ZINC000773893763 585646032 /nfs/dbraw/zinc/64/60/32/585646032.db2.gz DHHQQDZXMNZLAN-NSHDSACASA-N 1 1 221.731 3.102 20 30 BGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(C)cc1Cl ZINC000773893763 585646031 /nfs/dbraw/zinc/64/60/31/585646031.db2.gz DHHQQDZXMNZLAN-NSHDSACASA-N 1 1 221.731 3.102 20 30 BGEDMO C#CCCC[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000773936219 585646647 /nfs/dbraw/zinc/64/66/47/585646647.db2.gz WAMHLASNCAFRRI-HNNXBMFYSA-N 1 1 229.367 3.271 20 30 BGEDMO C#CCCC[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000773936221 585646678 /nfs/dbraw/zinc/64/66/78/585646678.db2.gz WAMHLASNCAFRRI-OAHLLOKOSA-N 1 1 229.367 3.271 20 30 BGEDMO C#CCCC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000773977511 585647575 /nfs/dbraw/zinc/64/75/75/585647575.db2.gz OHTCWGWVVSBBAB-ZDUSSCGKSA-N 1 1 207.361 3.300 20 30 BGEDMO CN(C)c1ccc(C=[NH+]OC2CCCC2)s1 ZINC000774596265 585661331 /nfs/dbraw/zinc/66/13/31/585661331.db2.gz AJFYDFGFHSWLKK-UHFFFAOYSA-N 1 1 238.356 3.107 20 30 BGEDMO C=CC[N@@H+](Cc1ccc(C#N)c(C)c1)C(C)C ZINC000774837072 585666884 /nfs/dbraw/zinc/66/68/84/585666884.db2.gz AFPHTDGXFZUKDU-UHFFFAOYSA-N 1 1 228.339 3.263 20 30 BGEDMO C=CC[N@H+](Cc1ccc(C)c(OC)c1)C(C)C ZINC000774838748 585667053 /nfs/dbraw/zinc/66/70/53/585667053.db2.gz KSARFLHZMAQTQO-UHFFFAOYSA-N 1 1 233.355 3.400 20 30 BGEDMO C#CC[N@@H+](CC)CC[C@H](C)c1ccccc1 ZINC000774856877 585667744 /nfs/dbraw/zinc/66/77/44/585667744.db2.gz FIMZGRFRZWVWCQ-AWEZNQCLSA-N 1 1 215.340 3.135 20 30 BGEDMO C#CC[N@@H+](CC)CC[C@@H](C)c1ccccc1 ZINC000774856878 585667760 /nfs/dbraw/zinc/66/77/60/585667760.db2.gz FIMZGRFRZWVWCQ-CQSZACIVSA-N 1 1 215.340 3.135 20 30 BGEDMO C#CC[N@H+](CC)Cc1ccc(C)c(Cl)c1 ZINC000774858216 585668003 /nfs/dbraw/zinc/66/80/03/585668003.db2.gz NIPJJBAPQSRCSQ-UHFFFAOYSA-N 1 1 221.731 3.104 20 30 BGEDMO CCC#C[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000774863810 585667983 /nfs/dbraw/zinc/66/79/83/585667983.db2.gz JZGOKMGFGSGLTQ-GHMZBOCLSA-N 1 1 237.293 3.417 20 30 BGEDMO CCC#C[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000774863814 585667857 /nfs/dbraw/zinc/66/78/57/585667857.db2.gz JZGOKMGFGSGLTQ-MNOVXSKESA-N 1 1 237.293 3.417 20 30 BGEDMO CCC#C[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000774863815 585667793 /nfs/dbraw/zinc/66/77/93/585667793.db2.gz JZGOKMGFGSGLTQ-QWRGUYRKSA-N 1 1 237.293 3.417 20 30 BGEDMO CCC#C[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000774863817 585668011 /nfs/dbraw/zinc/66/80/11/585668011.db2.gz JZGOKMGFGSGLTQ-WDEREUQCSA-N 1 1 237.293 3.417 20 30 BGEDMO C#CC[N@H+](CC1(C)CCC1)C1CCCC1 ZINC000774907119 585668957 /nfs/dbraw/zinc/66/89/57/585668957.db2.gz BMSISCMSVXPFBA-UHFFFAOYSA-N 1 1 205.345 3.054 20 30 BGEDMO C#CC[N@H+](CC[C@H](C)c1ccccc1)C1CC1 ZINC000775068054 585671755 /nfs/dbraw/zinc/67/17/55/585671755.db2.gz GQWBMUFIVMHRME-AWEZNQCLSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CC[N@H+](CC[C@@H](C)c1ccccc1)C1CC1 ZINC000775068060 585671780 /nfs/dbraw/zinc/67/17/80/585671780.db2.gz GQWBMUFIVMHRME-CQSZACIVSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CC[N@H+](Cc1ccc(C)c(Cl)c1)C1CC1 ZINC000775068344 585671799 /nfs/dbraw/zinc/67/17/99/585671799.db2.gz NNWHJYCOZYHTQH-UHFFFAOYSA-N 1 1 233.742 3.246 20 30 BGEDMO C#C[C@H](C)[N@H+](C)C[C@H](CC)c1ccccc1 ZINC000775177898 644701377 /nfs/dbraw/zinc/70/13/77/644701377.db2.gz DJMAFKZFYDSKSI-KBPBESRZSA-N 1 1 215.340 3.134 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)C[C@H](CC)c1ccccc1 ZINC000775177901 644701265 /nfs/dbraw/zinc/70/12/65/644701265.db2.gz DJMAFKZFYDSKSI-KGLIPLIRSA-N 1 1 215.340 3.134 20 30 BGEDMO C#C[C@H](C)[N@H+](C)C[C@@H](CC)c1ccccc1 ZINC000775177902 585672732 /nfs/dbraw/zinc/67/27/32/585672732.db2.gz DJMAFKZFYDSKSI-UONOGXRCSA-N 1 1 215.340 3.134 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)C[C@@H](CC)c1ccccc1 ZINC000775177905 585672805 /nfs/dbraw/zinc/67/28/05/585672805.db2.gz DJMAFKZFYDSKSI-ZIAGYGMSSA-N 1 1 215.340 3.134 20 30 BGEDMO C#C[C@H](C)[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000775178290 585673079 /nfs/dbraw/zinc/67/30/79/585673079.db2.gz FOSLSOFBYNTRSX-KBPBESRZSA-N 1 1 215.340 3.134 20 30 BGEDMO C#C[C@H](C)[N@H+](C)CC[C@@H](C)c1ccccc1 ZINC000775178292 585672724 /nfs/dbraw/zinc/67/27/24/585672724.db2.gz FOSLSOFBYNTRSX-KGLIPLIRSA-N 1 1 215.340 3.134 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000775178293 585672760 /nfs/dbraw/zinc/67/27/60/585672760.db2.gz FOSLSOFBYNTRSX-UONOGXRCSA-N 1 1 215.340 3.134 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)CC[C@@H](C)c1ccccc1 ZINC000775178294 585672881 /nfs/dbraw/zinc/67/28/81/585672881.db2.gz FOSLSOFBYNTRSX-ZIAGYGMSSA-N 1 1 215.340 3.134 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C)c(Cl)c1 ZINC000775178305 585673113 /nfs/dbraw/zinc/67/31/13/585673113.db2.gz FXCIACZLSLSGQD-LLVKDONJSA-N 1 1 221.731 3.102 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C)c(Cl)c1 ZINC000775178306 585672893 /nfs/dbraw/zinc/67/28/93/585672893.db2.gz FXCIACZLSLSGQD-NSHDSACASA-N 1 1 221.731 3.102 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1C1CC1 ZINC000775178355 585673045 /nfs/dbraw/zinc/67/30/45/585673045.db2.gz ILKYTMVFBGZHSF-GFCCVEGCSA-N 1 1 213.324 3.018 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccccc1C1CC1 ZINC000775178356 585672863 /nfs/dbraw/zinc/67/28/63/585672863.db2.gz ILKYTMVFBGZHSF-LBPRGKRZSA-N 1 1 213.324 3.018 20 30 BGEDMO C#C[C@H](C)[N@H+](C)C[C@H](C)CCc1ccccc1 ZINC000775178362 585672937 /nfs/dbraw/zinc/67/29/37/585672937.db2.gz IVJWZCWTJNGLLM-CABCVRRESA-N 1 1 229.367 3.209 20 30 BGEDMO C#C[C@H](C)[N@H+](C)C[C@@H](C)CCc1ccccc1 ZINC000775178363 585673002 /nfs/dbraw/zinc/67/30/02/585673002.db2.gz IVJWZCWTJNGLLM-GJZGRUSLSA-N 1 1 229.367 3.209 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)C[C@H](C)CCc1ccccc1 ZINC000775178364 585672945 /nfs/dbraw/zinc/67/29/45/585672945.db2.gz IVJWZCWTJNGLLM-HUUCEWRRSA-N 1 1 229.367 3.209 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)C[C@@H](C)CCc1ccccc1 ZINC000775178365 585673227 /nfs/dbraw/zinc/67/32/27/585673227.db2.gz IVJWZCWTJNGLLM-LSDHHAIUSA-N 1 1 229.367 3.209 20 30 BGEDMO C#C[C@H](C)[N@H+](C)CCc1ccc(C(C)C)cc1 ZINC000775179306 585673036 /nfs/dbraw/zinc/67/30/36/585673036.db2.gz NBWWKIORHVCMCC-AWEZNQCLSA-N 1 1 229.367 3.306 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)CCc1ccc(C(C)C)cc1 ZINC000775179308 585673241 /nfs/dbraw/zinc/67/32/41/585673241.db2.gz NBWWKIORHVCMCC-CQSZACIVSA-N 1 1 229.367 3.306 20 30 BGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OCCCC)cc1 ZINC000775182413 585672866 /nfs/dbraw/zinc/67/28/66/585672866.db2.gz DJVMLOCKQVJHHQ-AWEZNQCLSA-N 1 1 245.366 3.319 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OCCCC)cc1 ZINC000775182415 585673188 /nfs/dbraw/zinc/67/31/88/585673188.db2.gz DJVMLOCKQVJHHQ-CQSZACIVSA-N 1 1 245.366 3.319 20 30 BGEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(OCC(C)C)c1 ZINC000775182498 644700206 /nfs/dbraw/zinc/70/02/06/644700206.db2.gz AKPYBTRXUQMLGZ-AWEZNQCLSA-N 1 1 245.366 3.175 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(OCC(C)C)c1 ZINC000775182499 644701427 /nfs/dbraw/zinc/70/14/27/644701427.db2.gz AKPYBTRXUQMLGZ-CQSZACIVSA-N 1 1 245.366 3.175 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)[C@H](C)CCc1cccc(F)c1 ZINC000775182524 585672984 /nfs/dbraw/zinc/67/29/84/585672984.db2.gz BERUTBBNDGHQNG-CHWSQXEVSA-N 1 1 233.330 3.100 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)[C@@H](C)CCc1cccc(F)c1 ZINC000775182525 585672735 /nfs/dbraw/zinc/67/27/35/585672735.db2.gz BERUTBBNDGHQNG-OLZOCXBDSA-N 1 1 233.330 3.100 20 30 BGEDMO C#C[C@H](C)[N@H+](C)[C@H](C)CCc1cccc(F)c1 ZINC000775182526 585672932 /nfs/dbraw/zinc/67/29/32/585672932.db2.gz BERUTBBNDGHQNG-QWHCGFSZSA-N 1 1 233.330 3.100 20 30 BGEDMO C#C[C@H](C)[N@H+](C)[C@@H](C)CCc1cccc(F)c1 ZINC000775182527 585672966 /nfs/dbraw/zinc/67/29/66/585672966.db2.gz BERUTBBNDGHQNG-STQMWFEESA-N 1 1 233.330 3.100 20 30 BGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OCC(C)C)cc1 ZINC000775182658 585673146 /nfs/dbraw/zinc/67/31/46/585673146.db2.gz FGYBSLQDZROKSN-AWEZNQCLSA-N 1 1 245.366 3.175 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OCC(C)C)cc1 ZINC000775182659 585672860 /nfs/dbraw/zinc/67/28/60/585672860.db2.gz FGYBSLQDZROKSN-CQSZACIVSA-N 1 1 245.366 3.175 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)CCCCCOc1ccccc1 ZINC000775183110 585673217 /nfs/dbraw/zinc/67/32/17/585673217.db2.gz IGNNYFKHTDHMOS-HNNXBMFYSA-N 1 1 245.366 3.189 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)CCCCCOc1ccccc1 ZINC000775183111 585673084 /nfs/dbraw/zinc/67/30/84/585673084.db2.gz IGNNYFKHTDHMOS-OAHLLOKOSA-N 1 1 245.366 3.189 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)Cc1c2ccccc2oc1CC ZINC000775183120 585673099 /nfs/dbraw/zinc/67/30/99/585673099.db2.gz INHVSFXKJXZXHY-GFCCVEGCSA-N 1 1 241.334 3.449 20 30 BGEDMO C#C[C@H](C)[N@H+](C)Cc1c2ccccc2oc1CC ZINC000775183122 585673017 /nfs/dbraw/zinc/67/30/17/585673017.db2.gz INHVSFXKJXZXHY-LBPRGKRZSA-N 1 1 241.334 3.449 20 30 BGEDMO C#C[C@H](C)[N@H+](C)C[C@@H](C)c1cccc(Cl)c1 ZINC000775183476 585672872 /nfs/dbraw/zinc/67/28/72/585672872.db2.gz NAYIXPHASJARND-NEPJUHHUSA-N 1 1 235.758 3.397 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)C[C@H](C)c1cccc(Cl)c1 ZINC000775183483 585673004 /nfs/dbraw/zinc/67/30/04/585673004.db2.gz NAYIXPHASJARND-NWDGAFQWSA-N 1 1 235.758 3.397 20 30 BGEDMO C#C[C@H](C)[N@H+](C)C[C@H](C)c1cccc(Cl)c1 ZINC000775183484 585672988 /nfs/dbraw/zinc/67/29/88/585672988.db2.gz NAYIXPHASJARND-RYUDHWBXSA-N 1 1 235.758 3.397 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)C[C@@H](C)c1cccc(Cl)c1 ZINC000775183486 585672934 /nfs/dbraw/zinc/67/29/34/585672934.db2.gz NAYIXPHASJARND-VXGBXAGGSA-N 1 1 235.758 3.397 20 30 BGEDMO C#C[C@H](C)[N@H+](C)Cc1ccccc1OCCCC ZINC000775183542 585672950 /nfs/dbraw/zinc/67/29/50/585672950.db2.gz NYRBBGVRAZDKEU-AWEZNQCLSA-N 1 1 245.366 3.319 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccccc1OCCCC ZINC000775183544 585673160 /nfs/dbraw/zinc/67/31/60/585673160.db2.gz NYRBBGVRAZDKEU-CQSZACIVSA-N 1 1 245.366 3.319 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000775183981 585672839 /nfs/dbraw/zinc/67/28/39/585672839.db2.gz QKRKRSHATHFJQJ-JTQLQIEISA-N 1 1 231.270 3.025 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000775183982 585673014 /nfs/dbraw/zinc/67/30/14/585673014.db2.gz QKRKRSHATHFJQJ-SNVBAGLBSA-N 1 1 231.270 3.025 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C)oc2ccccc21 ZINC000775183989 585672727 /nfs/dbraw/zinc/67/27/27/585672727.db2.gz RASHEOZFSNQYNE-LLVKDONJSA-N 1 1 227.307 3.195 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1c(C)oc2ccccc21 ZINC000775183990 585672915 /nfs/dbraw/zinc/67/29/15/585672915.db2.gz RASHEOZFSNQYNE-NSHDSACASA-N 1 1 227.307 3.195 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000775183991 585673182 /nfs/dbraw/zinc/67/31/82/585673182.db2.gz REJYGZYPRNIXIJ-LLVKDONJSA-N 1 1 235.396 3.499 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000775183992 585673091 /nfs/dbraw/zinc/67/30/91/585673091.db2.gz REJYGZYPRNIXIJ-NSHDSACASA-N 1 1 235.396 3.499 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(C)c(C)cc1C ZINC000775183997 583058050 /nfs/dbraw/zinc/05/80/50/583058050.db2.gz RJNASTIDPNPPTE-AWEZNQCLSA-N 1 1 215.340 3.065 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)c(C)cc1C ZINC000775183998 583058275 /nfs/dbraw/zinc/05/82/75/583058275.db2.gz RJNASTIDPNPPTE-CQSZACIVSA-N 1 1 215.340 3.065 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000775184024 585672768 /nfs/dbraw/zinc/67/27/68/585672768.db2.gz SPFNYSVPQYFBCF-CMPYXILNSA-N 1 1 213.324 3.043 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000775184025 585673050 /nfs/dbraw/zinc/67/30/50/585673050.db2.gz SPFNYSVPQYFBCF-FZDNWWAKSA-N 1 1 213.324 3.043 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000775184026 585672921 /nfs/dbraw/zinc/67/29/21/585672921.db2.gz SPFNYSVPQYFBCF-YBEMTRGBSA-N 1 1 213.324 3.043 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000775184027 585672808 /nfs/dbraw/zinc/67/28/08/585672808.db2.gz SPFNYSVPQYFBCF-YPDDLIOESA-N 1 1 213.324 3.043 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(SCC)c1 ZINC000775184317 585672999 /nfs/dbraw/zinc/67/29/99/585672999.db2.gz PPZZWORLFAQACV-GFCCVEGCSA-N 1 1 233.380 3.252 20 30 BGEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(SCC)c1 ZINC000775184318 585672814 /nfs/dbraw/zinc/67/28/14/585672814.db2.gz PPZZWORLFAQACV-LBPRGKRZSA-N 1 1 233.380 3.252 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(CCC)c1 ZINC000775184470 585673238 /nfs/dbraw/zinc/67/32/38/585673238.db2.gz WJYZVEIWJOCEQZ-CYBMUJFWSA-N 1 1 215.340 3.093 20 30 BGEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(CCC)c1 ZINC000775184471 585672790 /nfs/dbraw/zinc/67/27/90/585672790.db2.gz WJYZVEIWJOCEQZ-ZDUSSCGKSA-N 1 1 215.340 3.093 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000775184695 585673208 /nfs/dbraw/zinc/67/32/08/585673208.db2.gz XTZQLLKMDLFCGP-CYBMUJFWSA-N 1 1 239.318 3.400 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000775184696 583058918 /nfs/dbraw/zinc/05/89/18/583058918.db2.gz XTZQLLKMDLFCGP-ZDUSSCGKSA-N 1 1 239.318 3.400 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C)cc(Cl)cc1C ZINC000775184984 585673010 /nfs/dbraw/zinc/67/30/10/585673010.db2.gz UMCWEHOZSMYKRC-GFCCVEGCSA-N 1 1 235.758 3.410 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1c(C)cc(Cl)cc1C ZINC000775184987 585673194 /nfs/dbraw/zinc/67/31/94/585673194.db2.gz UMCWEHOZSMYKRC-LBPRGKRZSA-N 1 1 235.758 3.410 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000775185107 585673224 /nfs/dbraw/zinc/67/32/24/585673224.db2.gz YPIIORCLZNJONH-SECBINFHSA-N 1 1 242.149 3.447 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000775185108 585673026 /nfs/dbraw/zinc/67/30/26/585673026.db2.gz YPIIORCLZNJONH-VIFPVBQESA-N 1 1 242.149 3.447 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c(C)c1 ZINC000775185119 585672802 /nfs/dbraw/zinc/67/28/02/585672802.db2.gz YSYYNRHERGEZRS-LLVKDONJSA-N 1 1 221.731 3.102 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Cl)c(C)c1 ZINC000775185121 585673252 /nfs/dbraw/zinc/67/32/52/585673252.db2.gz YSYYNRHERGEZRS-NSHDSACASA-N 1 1 221.731 3.102 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000775185196 585672994 /nfs/dbraw/zinc/67/29/94/585672994.db2.gz YUXDZFMXJLOTJL-BHYGNILZSA-N 1 1 241.378 3.450 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000775185197 585672997 /nfs/dbraw/zinc/67/29/97/585672997.db2.gz YUXDZFMXJLOTJL-UAGQMJEPSA-N 1 1 241.378 3.450 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000775185199 585672957 /nfs/dbraw/zinc/67/29/57/585672957.db2.gz YUXDZFMXJLOTJL-USXIJHARSA-N 1 1 241.378 3.450 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000775185201 585673048 /nfs/dbraw/zinc/67/30/48/585673048.db2.gz YUXDZFMXJLOTJL-XIRDDKMYSA-N 1 1 241.378 3.450 20 30 BGEDMO C=C(C)CC[N@H+](C)Cc1ccc(OC)c(F)c1 ZINC000775559534 585679663 /nfs/dbraw/zinc/67/96/63/585679663.db2.gz WOMFWPJJQBXWAO-UHFFFAOYSA-N 1 1 237.318 3.232 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000775562099 585679617 /nfs/dbraw/zinc/67/96/17/585679617.db2.gz DGJXSPQAROBGAV-CYBMUJFWSA-N 1 1 220.316 3.086 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000775562100 585679016 /nfs/dbraw/zinc/67/90/16/585679016.db2.gz DGJXSPQAROBGAV-ZDUSSCGKSA-N 1 1 220.316 3.086 20 30 BGEDMO CCCCCCC[N@H+]1CCOCC[C@H]1C ZINC000775566141 585679723 /nfs/dbraw/zinc/67/97/23/585679723.db2.gz JMQBEXBWODUZLM-CYBMUJFWSA-N 1 1 213.365 3.068 20 30 BGEDMO CCCCCCC[N@H+]1CCOCC[C@@H]1C ZINC000775566142 585679917 /nfs/dbraw/zinc/67/99/17/585679917.db2.gz JMQBEXBWODUZLM-ZDUSSCGKSA-N 1 1 213.365 3.068 20 30 BGEDMO CCCCCCCC[N@H+]1CCOCC[C@@H]1C ZINC000775569625 585680299 /nfs/dbraw/zinc/68/02/99/585680299.db2.gz ODYWCTSVIYIKGX-AWEZNQCLSA-N 1 1 227.392 3.458 20 30 BGEDMO CCCCCCCC[N@H+]1CCOCC[C@H]1C ZINC000775569627 585680331 /nfs/dbraw/zinc/68/03/31/585680331.db2.gz ODYWCTSVIYIKGX-CQSZACIVSA-N 1 1 227.392 3.458 20 30 BGEDMO C=CC[N@H+](CCC(=O)c1ccc(C)cc1)C(C)C ZINC000775571269 585680323 /nfs/dbraw/zinc/68/03/23/585680323.db2.gz DKYSMQGIRFXPDE-UHFFFAOYSA-N 1 1 245.366 3.464 20 30 BGEDMO C=CC[N@@H+](Cc1ccc(C)nc1C)C(C)C ZINC000775573397 585680631 /nfs/dbraw/zinc/68/06/31/585680631.db2.gz YENSRWXWKLQUFV-UHFFFAOYSA-N 1 1 218.344 3.095 20 30 BGEDMO C#CC[N@H+](CCC(=C)C)C1CCCCC1 ZINC000775585705 585680951 /nfs/dbraw/zinc/68/09/51/585680951.db2.gz HOJCCQRCJUVDQL-UHFFFAOYSA-N 1 1 205.345 3.221 20 30 BGEDMO C#CC[N@H+](CCC(=C)C)Cc1ccc(F)cc1 ZINC000775586082 585680979 /nfs/dbraw/zinc/68/09/79/585680979.db2.gz JNAKUEDCLHVQOF-UHFFFAOYSA-N 1 1 231.314 3.227 20 30 BGEDMO C#CC[N@H+](C[C@@H]1CCC(C)(C)O1)C1CCCCC1 ZINC000775586663 585680871 /nfs/dbraw/zinc/68/08/71/585680871.db2.gz NECSVBNPIDHPEI-HNNXBMFYSA-N 1 1 249.398 3.212 20 30 BGEDMO C#CC[N@H+](C[C@H]1CCC(C)(C)O1)C1CCCCC1 ZINC000775586666 585680921 /nfs/dbraw/zinc/68/09/21/585680921.db2.gz NECSVBNPIDHPEI-OAHLLOKOSA-N 1 1 249.398 3.212 20 30 BGEDMO C=C(C)CC[N@H+]1CCc2c(C)cccc2C1 ZINC000775593914 585681073 /nfs/dbraw/zinc/68/10/73/585681073.db2.gz KZBSFHCZAXZJQX-UHFFFAOYSA-N 1 1 215.340 3.319 20 30 BGEDMO C=C(C)CC[N@H+](C)CCc1ccccc1F ZINC000775600591 585681497 /nfs/dbraw/zinc/68/14/97/585681497.db2.gz IXNRHFGXYAIDGF-UHFFFAOYSA-N 1 1 221.319 3.266 20 30 BGEDMO Cc1ccc(C[N@H+](CCC#N)CC(C)C)c(C)n1 ZINC000775605191 585681262 /nfs/dbraw/zinc/68/12/62/585681262.db2.gz YXUIYECEVINZHU-UHFFFAOYSA-N 1 1 245.370 3.070 20 30 BGEDMO Cc1ccc(C[N@@H+](CCC#N)CC(C)C)c(C)n1 ZINC000775605191 585681261 /nfs/dbraw/zinc/68/12/61/585681261.db2.gz YXUIYECEVINZHU-UHFFFAOYSA-N 1 1 245.370 3.070 20 30 BGEDMO C=C(C)CC[N@H+](C)Cc1ccc(Cl)nc1 ZINC000775608883 585681435 /nfs/dbraw/zinc/68/14/35/585681435.db2.gz ANLMLGXQQRIRNB-UHFFFAOYSA-N 1 1 224.735 3.133 20 30 BGEDMO C#CC[N@H+](CC)[C@@H](C)c1cccc(Cl)c1F ZINC000775609763 585681251 /nfs/dbraw/zinc/68/12/51/585681251.db2.gz VNOXEFBZMDGGAM-JTQLQIEISA-N 1 1 239.721 3.495 20 30 BGEDMO C#CC[N@@H+](CC)[C@@H](C)c1cccc(Cl)c1F ZINC000775609763 585681250 /nfs/dbraw/zinc/68/12/50/585681250.db2.gz VNOXEFBZMDGGAM-JTQLQIEISA-N 1 1 239.721 3.495 20 30 BGEDMO C#CC[N@H+](CC)[C@H](C)c1cccc(Cl)c1F ZINC000775609764 585681222 /nfs/dbraw/zinc/68/12/22/585681222.db2.gz VNOXEFBZMDGGAM-SNVBAGLBSA-N 1 1 239.721 3.495 20 30 BGEDMO C#CC[N@@H+](CC)[C@H](C)c1cccc(Cl)c1F ZINC000775609764 585681221 /nfs/dbraw/zinc/68/12/21/585681221.db2.gz VNOXEFBZMDGGAM-SNVBAGLBSA-N 1 1 239.721 3.495 20 30 BGEDMO C=C(C)CC[N@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000775610253 585681403 /nfs/dbraw/zinc/68/14/03/585681403.db2.gz NFIUVSCZZZLQRK-INIZCTEOSA-N 1 1 247.382 3.317 20 30 BGEDMO C=C(C)CC[N@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000775610254 585681405 /nfs/dbraw/zinc/68/14/05/585681405.db2.gz NFIUVSCZZZLQRK-MRXNPFEDSA-N 1 1 247.382 3.317 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000775615732 585681543 /nfs/dbraw/zinc/68/15/43/585681543.db2.gz RWFZCRWVAPOGEE-KBPBESRZSA-N 1 1 249.354 3.134 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000775615733 585681400 /nfs/dbraw/zinc/68/14/00/585681400.db2.gz RWFZCRWVAPOGEE-KGLIPLIRSA-N 1 1 249.354 3.134 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000775615734 585681515 /nfs/dbraw/zinc/68/15/15/585681515.db2.gz RWFZCRWVAPOGEE-UONOGXRCSA-N 1 1 249.354 3.134 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000775615735 585681517 /nfs/dbraw/zinc/68/15/17/585681517.db2.gz RWFZCRWVAPOGEE-ZIAGYGMSSA-N 1 1 249.354 3.134 20 30 BGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC2(C)C)cc1 ZINC000775634099 585681933 /nfs/dbraw/zinc/68/19/33/585681933.db2.gz ZSPKYQBUBBBFKZ-UHFFFAOYSA-N 1 1 242.366 3.472 20 30 BGEDMO Cc1cccc(C[N@H+](CCC#N)CC(C)C)c1O ZINC000775643369 585682070 /nfs/dbraw/zinc/68/20/70/585682070.db2.gz PAUABQSAENCGST-UHFFFAOYSA-N 1 1 246.354 3.072 20 30 BGEDMO C=CC[N@@H+](Cc1cn(C)nc1C(C)(C)C)C(C)C ZINC000775656846 585682191 /nfs/dbraw/zinc/68/21/91/585682191.db2.gz OALNUGUGSWSATI-UHFFFAOYSA-N 1 1 249.402 3.114 20 30 BGEDMO C=CC[N@@H+](Cc1cccc(C)c1O)C(C)C ZINC000775656862 585682445 /nfs/dbraw/zinc/68/24/45/585682445.db2.gz OQFNIOSNOGVWJM-UHFFFAOYSA-N 1 1 219.328 3.097 20 30 BGEDMO C=CC[N@@H+](Cc1nc2c(s1)CCC2)C(C)C ZINC000775656874 585682556 /nfs/dbraw/zinc/68/25/56/585682556.db2.gz OZEDUYLCFCBKCF-UHFFFAOYSA-N 1 1 236.384 3.028 20 30 BGEDMO C=CC[N@H+](Cc1nc2c(s1)CCC2)C(C)C ZINC000775656874 585682555 /nfs/dbraw/zinc/68/25/55/585682555.db2.gz OZEDUYLCFCBKCF-UHFFFAOYSA-N 1 1 236.384 3.028 20 30 BGEDMO C#CC[N@H+](CC)Cc1cccc(OCC(C)C)c1 ZINC000775660194 585682241 /nfs/dbraw/zinc/68/22/41/585682241.db2.gz ADXBQAXLWJJUPI-UHFFFAOYSA-N 1 1 245.366 3.177 20 30 BGEDMO C#CC[N@@H+](CCCCc1ccccc1)C1CC1 ZINC000775672494 585682814 /nfs/dbraw/zinc/68/28/14/585682814.db2.gz ALLHSVFKLRXKCQ-UHFFFAOYSA-N 1 1 227.351 3.107 20 30 BGEDMO C[N@@H+](CC1(C#N)CC1)C1CCCCCCC1 ZINC000775959562 585688317 /nfs/dbraw/zinc/68/83/17/585688317.db2.gz ANQPWWJPZWYCNJ-UHFFFAOYSA-N 1 1 220.360 3.335 20 30 BGEDMO Cc1cc([C@@H](C)[NH2+]CC2(C#N)CC2)cc(C)c1F ZINC000776005856 585689144 /nfs/dbraw/zinc/68/91/44/585689144.db2.gz DJTXJUYIYGITTM-GFCCVEGCSA-N 1 1 246.329 3.397 20 30 BGEDMO Cc1cc([C@H](C)[NH2+]CC2(C#N)CC2)cc(C)c1F ZINC000776005857 585689171 /nfs/dbraw/zinc/68/91/71/585689171.db2.gz DJTXJUYIYGITTM-LBPRGKRZSA-N 1 1 246.329 3.397 20 30 BGEDMO C#CC[N@H+](CCC(C)(C)C#N)C1CCCCC1 ZINC000776580302 585700939 /nfs/dbraw/zinc/70/09/39/585700939.db2.gz SVVWQIBFHMPSJI-UHFFFAOYSA-N 1 1 232.371 3.194 20 30 BGEDMO C[N@@H+](CCc1ccccc1F)CCC(C)(C)C#N ZINC000776581328 585701263 /nfs/dbraw/zinc/70/12/63/585701263.db2.gz CQZQAZARMUSTEG-UHFFFAOYSA-N 1 1 248.345 3.240 20 30 BGEDMO Cc1cccc2c1CC[N@@H+](CCC(C)(C)C#N)C2 ZINC000776582714 585701140 /nfs/dbraw/zinc/70/11/40/585701140.db2.gz UGWMPPAINVBBID-UHFFFAOYSA-N 1 1 242.366 3.293 20 30 BGEDMO CCCCC(N)=[NH+]OCc1ccc(C#N)cc1C ZINC000776743309 585703900 /nfs/dbraw/zinc/70/39/00/585703900.db2.gz POYWNZNJVKSYGR-UHFFFAOYSA-N 1 1 245.326 3.055 20 30 BGEDMO CCCCCCC[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000776747237 585703997 /nfs/dbraw/zinc/70/39/97/585703997.db2.gz QVQXTBQTMFVLSF-CABCVRRESA-N 1 1 240.435 3.277 20 30 BGEDMO CCCCCCC[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000776747238 585703947 /nfs/dbraw/zinc/70/39/47/585703947.db2.gz QVQXTBQTMFVLSF-GJZGRUSLSA-N 1 1 240.435 3.277 20 30 BGEDMO CCCCCCC[NH2+][C@@H]1CCN(CC)C[C@H]1C ZINC000776747239 585703871 /nfs/dbraw/zinc/70/38/71/585703871.db2.gz QVQXTBQTMFVLSF-HUUCEWRRSA-N 1 1 240.435 3.277 20 30 BGEDMO CCCCCCC[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000776747240 585703937 /nfs/dbraw/zinc/70/39/37/585703937.db2.gz QVQXTBQTMFVLSF-LSDHHAIUSA-N 1 1 240.435 3.277 20 30 BGEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1C)C(C)C ZINC000776788288 585705742 /nfs/dbraw/zinc/70/57/42/585705742.db2.gz LUDKVXYLFVARCD-UHFFFAOYSA-N 1 1 228.339 3.263 20 30 BGEDMO CCCCCCC[N@H+]1CCO[C@H](C2CC2)C1 ZINC000776799606 585705702 /nfs/dbraw/zinc/70/57/02/585705702.db2.gz MTTHHUNVRQGXOZ-AWEZNQCLSA-N 1 1 225.376 3.068 20 30 BGEDMO CCCCCCC[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000776799612 585705697 /nfs/dbraw/zinc/70/56/97/585705697.db2.gz MTTHHUNVRQGXOZ-CQSZACIVSA-N 1 1 225.376 3.068 20 30 BGEDMO C#CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000776849715 585706372 /nfs/dbraw/zinc/70/63/72/585706372.db2.gz LWZHPESPXGVJBB-BBWFWOEESA-N 1 1 239.362 3.278 20 30 BGEDMO C#CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000776849719 585706234 /nfs/dbraw/zinc/70/62/34/585706234.db2.gz LWZHPESPXGVJBB-BRWVUGGUSA-N 1 1 239.362 3.278 20 30 BGEDMO C#CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000776849723 585706151 /nfs/dbraw/zinc/70/61/51/585706151.db2.gz LWZHPESPXGVJBB-GVDBMIGSSA-N 1 1 239.362 3.278 20 30 BGEDMO C#CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000776849727 585706141 /nfs/dbraw/zinc/70/61/41/585706141.db2.gz LWZHPESPXGVJBB-ZACQAIPSSA-N 1 1 239.362 3.278 20 30 BGEDMO C#CCCC[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000776856651 585706238 /nfs/dbraw/zinc/70/62/38/585706238.db2.gz OWNFGJIBNATBEL-UHFFFAOYSA-N 1 1 227.351 3.075 20 30 BGEDMO C#CC[N@H+](Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000777221881 585709454 /nfs/dbraw/zinc/70/94/54/585709454.db2.gz NQGWHZDNAFPCOG-UHFFFAOYSA-N 1 1 237.705 3.077 20 30 BGEDMO C#CC[N@@H+](Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000777221881 585709453 /nfs/dbraw/zinc/70/94/53/585709453.db2.gz NQGWHZDNAFPCOG-UHFFFAOYSA-N 1 1 237.705 3.077 20 30 BGEDMO C[N@@H+](CCC#N)[C@@H]1CCc2cc(Cl)ccc21 ZINC000777401434 585711326 /nfs/dbraw/zinc/71/13/26/585711326.db2.gz OBPMXYDRSURKPL-CYBMUJFWSA-N 1 1 234.730 3.173 20 30 BGEDMO C[N@H+](CCC#N)[C@@H]1CCc2cc(Cl)ccc21 ZINC000777401434 585711325 /nfs/dbraw/zinc/71/13/25/585711325.db2.gz OBPMXYDRSURKPL-CYBMUJFWSA-N 1 1 234.730 3.173 20 30 BGEDMO C[N@@H+](CCC#N)[C@H]1CCc2cc(Cl)ccc21 ZINC000777401436 585711363 /nfs/dbraw/zinc/71/13/63/585711363.db2.gz OBPMXYDRSURKPL-ZDUSSCGKSA-N 1 1 234.730 3.173 20 30 BGEDMO C[N@H+](CCC#N)[C@H]1CCc2cc(Cl)ccc21 ZINC000777401436 585711362 /nfs/dbraw/zinc/71/13/62/585711362.db2.gz OBPMXYDRSURKPL-ZDUSSCGKSA-N 1 1 234.730 3.173 20 30 BGEDMO CC[N@H+]1CCC(=NOC2CCCCC2)[C@H](C)C1 ZINC000777458334 585712931 /nfs/dbraw/zinc/71/29/31/585712931.db2.gz CPRWZYDIPLGNET-GFCCVEGCSA-N 1 1 238.375 3.053 20 30 BGEDMO CC[N@H+]1CCC(=NOC2CCCCC2)[C@@H](C)C1 ZINC000777458335 585713036 /nfs/dbraw/zinc/71/30/36/585713036.db2.gz CPRWZYDIPLGNET-LBPRGKRZSA-N 1 1 238.375 3.053 20 30 BGEDMO C=CC[N@H+](CCC(=O)c1ccc(F)cc1)C(C)C ZINC000777559007 585715286 /nfs/dbraw/zinc/71/52/86/585715286.db2.gz POQSSSUKCQMMCO-UHFFFAOYSA-N 1 1 249.329 3.295 20 30 BGEDMO C=CC[N@H+](CCC(=O)c1ccccc1)C(C)C ZINC000777559119 585715227 /nfs/dbraw/zinc/71/52/27/585715227.db2.gz RXEUFIIGANBGSV-UHFFFAOYSA-N 1 1 231.339 3.156 20 30 BGEDMO CCCCCCCCC[N@@H+](C)CC1OCCO1 ZINC000777560686 585715027 /nfs/dbraw/zinc/71/50/27/585715027.db2.gz ZCPBJLCAMPOBRY-UHFFFAOYSA-N 1 1 243.391 3.042 20 30 BGEDMO CC[N@H+](Cc1ccc(CF)cc1)C[C@H](C)C#N ZINC000777567855 585715488 /nfs/dbraw/zinc/71/54/88/585715488.db2.gz ZIAJQEKRCIQGNW-GFCCVEGCSA-N 1 1 234.318 3.138 20 30 BGEDMO CC[N@@H+](Cc1ccc(CF)cc1)C[C@H](C)C#N ZINC000777567855 585715487 /nfs/dbraw/zinc/71/54/87/585715487.db2.gz ZIAJQEKRCIQGNW-GFCCVEGCSA-N 1 1 234.318 3.138 20 30 BGEDMO CC[N@H+](Cc1ccc(CF)cc1)C[C@@H](C)C#N ZINC000777567856 585715604 /nfs/dbraw/zinc/71/56/04/585715604.db2.gz ZIAJQEKRCIQGNW-LBPRGKRZSA-N 1 1 234.318 3.138 20 30 BGEDMO CC[N@@H+](Cc1ccc(CF)cc1)C[C@@H](C)C#N ZINC000777567856 585715603 /nfs/dbraw/zinc/71/56/03/585715603.db2.gz ZIAJQEKRCIQGNW-LBPRGKRZSA-N 1 1 234.318 3.138 20 30 BGEDMO N#CCC[N@H+](Cc1ccc(CF)cc1)CC1CC1 ZINC000777593965 585716323 /nfs/dbraw/zinc/71/63/23/585716323.db2.gz BYVXWUWFYRSJQU-UHFFFAOYSA-N 1 1 246.329 3.282 20 30 BGEDMO N#CCC[N@@H+](Cc1ccc(CF)cc1)CC1CC1 ZINC000777593965 585716322 /nfs/dbraw/zinc/71/63/22/585716322.db2.gz BYVXWUWFYRSJQU-UHFFFAOYSA-N 1 1 246.329 3.282 20 30 BGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(CF)cc1)C1CC1 ZINC000777713126 585719145 /nfs/dbraw/zinc/71/91/45/585719145.db2.gz PVUKSBOMGYORPT-GFCCVEGCSA-N 1 1 246.329 3.280 20 30 BGEDMO C[C@H](C#N)C[N@H+](Cc1ccc(CF)cc1)C1CC1 ZINC000777713126 585719144 /nfs/dbraw/zinc/71/91/44/585719144.db2.gz PVUKSBOMGYORPT-GFCCVEGCSA-N 1 1 246.329 3.280 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(CF)cc1)C1CC1 ZINC000777713129 585719017 /nfs/dbraw/zinc/71/90/17/585719017.db2.gz PVUKSBOMGYORPT-LBPRGKRZSA-N 1 1 246.329 3.280 20 30 BGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(CF)cc1)C1CC1 ZINC000777713129 585719016 /nfs/dbraw/zinc/71/90/16/585719016.db2.gz PVUKSBOMGYORPT-LBPRGKRZSA-N 1 1 246.329 3.280 20 30 BGEDMO C=CC[N@H+](Cc1ccc(CF)cc1)C1CC1 ZINC000777725664 585719463 /nfs/dbraw/zinc/71/94/63/585719463.db2.gz WCZWLGDYZFQVMV-UHFFFAOYSA-N 1 1 219.303 3.307 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)[C@H]1CCc2cc(Cl)ccc21 ZINC000777827122 585720900 /nfs/dbraw/zinc/72/09/00/585720900.db2.gz CTFFCEZHLWOUFW-HZMBPMFUSA-N 1 1 248.757 3.419 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)[C@H]1CCc2cc(Cl)ccc21 ZINC000777827122 585720899 /nfs/dbraw/zinc/72/08/99/585720899.db2.gz CTFFCEZHLWOUFW-HZMBPMFUSA-N 1 1 248.757 3.419 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCc2cc(Cl)ccc21 ZINC000777827168 585720832 /nfs/dbraw/zinc/72/08/32/585720832.db2.gz CTFFCEZHLWOUFW-IINYFYTJSA-N 1 1 248.757 3.419 20 30 BGEDMO C[C@@H](C#N)C[N@H+](C)[C@@H]1CCc2cc(Cl)ccc21 ZINC000777827168 585720831 /nfs/dbraw/zinc/72/08/31/585720831.db2.gz CTFFCEZHLWOUFW-IINYFYTJSA-N 1 1 248.757 3.419 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCc2cc(Cl)ccc21 ZINC000777827169 585720741 /nfs/dbraw/zinc/72/07/41/585720741.db2.gz CTFFCEZHLWOUFW-QMTHXVAHSA-N 1 1 248.757 3.419 20 30 BGEDMO C[C@H](C#N)C[N@H+](C)[C@@H]1CCc2cc(Cl)ccc21 ZINC000777827169 585720740 /nfs/dbraw/zinc/72/07/40/585720740.db2.gz CTFFCEZHLWOUFW-QMTHXVAHSA-N 1 1 248.757 3.419 20 30 BGEDMO C[C@H](C#N)C[N@@H+](C)[C@H]1CCc2cc(Cl)ccc21 ZINC000777827170 585720818 /nfs/dbraw/zinc/72/08/18/585720818.db2.gz CTFFCEZHLWOUFW-YGRLFVJLSA-N 1 1 248.757 3.419 20 30 BGEDMO C[C@H](C#N)C[N@H+](C)[C@H]1CCc2cc(Cl)ccc21 ZINC000777827170 585720817 /nfs/dbraw/zinc/72/08/17/585720817.db2.gz CTFFCEZHLWOUFW-YGRLFVJLSA-N 1 1 248.757 3.419 20 30 BGEDMO C=C(C)C[N@@H+](C)Cn1ccc(-c2ccsc2)n1 ZINC000777959271 585724128 /nfs/dbraw/zinc/72/41/28/585724128.db2.gz CNMBLEBUDRUPHT-UHFFFAOYSA-N 1 1 247.367 3.077 20 30 BGEDMO C=C(C)C[N@H+](C)Cn1ccc(-c2ccsc2)n1 ZINC000777959271 585724127 /nfs/dbraw/zinc/72/41/27/585724127.db2.gz CNMBLEBUDRUPHT-UHFFFAOYSA-N 1 1 247.367 3.077 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000777959315 585724273 /nfs/dbraw/zinc/72/42/73/585724273.db2.gz FUUXPBRXFRQCGH-UHFFFAOYSA-N 1 1 245.366 3.279 20 30 BGEDMO C=C(C)C[N@@H+](C)Cn1ccc(-c2cccs2)n1 ZINC000777961001 585724369 /nfs/dbraw/zinc/72/43/69/585724369.db2.gz PXTZJLOCLWGSII-UHFFFAOYSA-N 1 1 247.367 3.077 20 30 BGEDMO C=C(C)C[N@H+](C)Cn1ccc(-c2cccs2)n1 ZINC000777961001 585724368 /nfs/dbraw/zinc/72/43/68/585724368.db2.gz PXTZJLOCLWGSII-UHFFFAOYSA-N 1 1 247.367 3.077 20 30 BGEDMO CCCCCCC[N@@H+](CC(C)(C)O)C1CC1 ZINC000778214971 585727807 /nfs/dbraw/zinc/72/78/07/585727807.db2.gz XBUYVBOQTHTYJK-UHFFFAOYSA-N 1 1 227.392 3.192 20 30 BGEDMO C=CC[N@@H+](Cc1ccc(Cl)cn1)C(C)C ZINC000778217337 585728152 /nfs/dbraw/zinc/72/81/52/585728152.db2.gz XRCIYUIADLXRHW-UHFFFAOYSA-N 1 1 224.735 3.131 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(CF)cc1 ZINC000778232453 585728906 /nfs/dbraw/zinc/72/89/06/585728906.db2.gz ZTKZHBNLEYGFNF-UHFFFAOYSA-N 1 1 207.292 3.164 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000778237127 585728729 /nfs/dbraw/zinc/72/87/29/585728729.db2.gz KMARWHDGMNPFGA-UHFFFAOYSA-N 1 1 245.153 3.396 20 30 BGEDMO C#CC[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000778243221 585729346 /nfs/dbraw/zinc/72/93/46/585729346.db2.gz IOCDHOIGVBWHIF-CYBMUJFWSA-N 1 1 231.314 3.028 20 30 BGEDMO C#CC[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000778243223 585729339 /nfs/dbraw/zinc/72/93/39/585729339.db2.gz IOCDHOIGVBWHIF-ZDUSSCGKSA-N 1 1 231.314 3.028 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000778245196 585729285 /nfs/dbraw/zinc/72/92/85/585729285.db2.gz UQMKYOOWTQQUDT-AWEZNQCLSA-N 1 1 245.341 3.419 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000778245214 585729544 /nfs/dbraw/zinc/72/95/44/585729544.db2.gz UQMKYOOWTQQUDT-CQSZACIVSA-N 1 1 245.341 3.419 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@](CC)(CO)C1 ZINC000778324857 643344078 /nfs/dbraw/zinc/34/40/78/643344078.db2.gz DSHFWXOAQPXVOU-HNNXBMFYSA-N 1 1 241.419 3.441 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@@](CC)(CO)C1 ZINC000778324889 643342730 /nfs/dbraw/zinc/34/27/30/643342730.db2.gz DSHFWXOAQPXVOU-OAHLLOKOSA-N 1 1 241.419 3.441 20 30 BGEDMO C#CCCC[N@H+](CC)[C@H](C)Cc1ccsc1 ZINC000778378801 585732999 /nfs/dbraw/zinc/73/29/99/585732999.db2.gz PSISBHIBWCIZQQ-CYBMUJFWSA-N 1 1 235.396 3.414 20 30 BGEDMO C#CCCC[N@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000778378804 585732843 /nfs/dbraw/zinc/73/28/43/585732843.db2.gz PSISBHIBWCIZQQ-ZDUSSCGKSA-N 1 1 235.396 3.414 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@@](O)(CC)C1 ZINC000778396842 585733558 /nfs/dbraw/zinc/73/35/58/585733558.db2.gz OBMHTHXUNWMQMS-AWEZNQCLSA-N 1 1 227.392 3.194 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@](O)(CC)C1 ZINC000778396844 585733600 /nfs/dbraw/zinc/73/36/00/585733600.db2.gz OBMHTHXUNWMQMS-CQSZACIVSA-N 1 1 227.392 3.194 20 30 BGEDMO C=C(C)[C@@H](C)OC(=O)C[N@H+](C)CCCCCC ZINC000778728028 585739862 /nfs/dbraw/zinc/73/98/62/585739862.db2.gz QQXJRRPPEOTHSS-CYBMUJFWSA-N 1 1 241.375 3.006 20 30 BGEDMO C=C(C)[C@@H](C)OC(=O)C[N@@H+](C)CCCCCC ZINC000778728028 585739861 /nfs/dbraw/zinc/73/98/61/585739861.db2.gz QQXJRRPPEOTHSS-CYBMUJFWSA-N 1 1 241.375 3.006 20 30 BGEDMO C=C(C)[C@H](C)OC(=O)C[N@H+](C)CCCCCC ZINC000778728031 585739873 /nfs/dbraw/zinc/73/98/73/585739873.db2.gz QQXJRRPPEOTHSS-ZDUSSCGKSA-N 1 1 241.375 3.006 20 30 BGEDMO C=C(C)[C@H](C)OC(=O)C[N@@H+](C)CCCCCC ZINC000778728031 585739872 /nfs/dbraw/zinc/73/98/72/585739872.db2.gz QQXJRRPPEOTHSS-ZDUSSCGKSA-N 1 1 241.375 3.006 20 30 BGEDMO C=CC[N@H+](CCc1ccco1)C[Si](C)(C)C ZINC000778996342 585743810 /nfs/dbraw/zinc/74/38/10/585743810.db2.gz MERQAGNCWFWJSU-UHFFFAOYSA-N 1 1 237.419 3.188 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1c(O)cccc1Cl ZINC000779143799 585745496 /nfs/dbraw/zinc/74/54/96/585745496.db2.gz ICRBGMIIZNAASB-UHFFFAOYSA-N 1 1 225.719 3.054 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000779143816 585745802 /nfs/dbraw/zinc/74/58/02/585745802.db2.gz ISFAXBSWZPCPIA-UHFFFAOYSA-N 1 1 243.709 3.193 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cncc2ccccc21 ZINC000779144258 585745810 /nfs/dbraw/zinc/74/58/10/585745810.db2.gz NDLWQXQUDGIBMS-UHFFFAOYSA-N 1 1 226.323 3.243 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cc2cccc(OC)c2o1 ZINC000779145898 585745671 /nfs/dbraw/zinc/74/56/71/585745671.db2.gz XKACUTOZMHRTMK-UHFFFAOYSA-N 1 1 245.322 3.449 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000779149491 585745887 /nfs/dbraw/zinc/74/58/87/585745887.db2.gz MUYBCFKPQUJVGX-UHFFFAOYSA-N 1 1 224.735 3.051 20 30 BGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccoc1 ZINC000779167459 585746808 /nfs/dbraw/zinc/74/68/08/585746808.db2.gz GDFJOWGBWGBMDY-UHFFFAOYSA-N 1 1 231.295 3.103 20 30 BGEDMO C=CC[N@H+](C)Cc1cc2cccc(OC)c2o1 ZINC000779188253 585746648 /nfs/dbraw/zinc/74/66/48/585746648.db2.gz JMKKPJJLWDGFCN-UHFFFAOYSA-N 1 1 231.295 3.059 20 30 BGEDMO CC(C)CCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000779216833 585747558 /nfs/dbraw/zinc/74/75/58/585747558.db2.gz VIXPCMWNGLWUAO-UHFFFAOYSA-N 1 1 236.384 3.488 20 30 BGEDMO C[C@@H]1C[N@@H+](CCCCC#N)Cc2ccccc21 ZINC000779460177 585755214 /nfs/dbraw/zinc/75/52/14/585755214.db2.gz LOPJMECICWKJSG-CYBMUJFWSA-N 1 1 228.339 3.300 20 30 BGEDMO C[C@H]1C[N@@H+](CCCCC#N)Cc2ccccc21 ZINC000779460183 585755283 /nfs/dbraw/zinc/75/52/83/585755283.db2.gz LOPJMECICWKJSG-ZDUSSCGKSA-N 1 1 228.339 3.300 20 30 BGEDMO CC(C)c1ccc(C=NNc2cc[nH+]cc2)cc1 ZINC000779807321 585765096 /nfs/dbraw/zinc/76/50/96/585765096.db2.gz RPPHYVDMRHWLHB-UHFFFAOYSA-N 1 1 239.322 3.073 20 30 BGEDMO C(=NNc1cc[nH+]cc1)c1ccc2ccccc2c1 ZINC000779808357 585765299 /nfs/dbraw/zinc/76/52/99/585765299.db2.gz JORFCOHMVBOXPH-UHFFFAOYSA-N 1 1 247.301 3.103 20 30 BGEDMO CCC(=NNc1cc[nH+]cc1)c1ccc(C)cc1 ZINC000779809759 585766148 /nfs/dbraw/zinc/76/61/48/585766148.db2.gz POWLSMASUCEBQR-UHFFFAOYSA-N 1 1 239.322 3.038 20 30 BGEDMO CC(=NNc1cc[nH+]cc1)c1cc(C)sc1C ZINC000779809931 585766140 /nfs/dbraw/zinc/76/61/40/585766140.db2.gz UCRJUMFLGDJFOH-UHFFFAOYSA-N 1 1 245.351 3.018 20 30 BGEDMO CCCC(=NNc1cc[nH+]cc1)c1ccccc1 ZINC000779810664 585766242 /nfs/dbraw/zinc/76/62/42/585766242.db2.gz GFJQTEUOZFDWEE-UHFFFAOYSA-N 1 1 239.322 3.120 20 30 BGEDMO 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C#CC[N@@H+](CC)CCCc1ccccc1Cl ZINC000784158634 585852174 /nfs/dbraw/zinc/85/21/74/585852174.db2.gz AQSJUSQBCZASEA-UHFFFAOYSA-N 1 1 235.758 3.228 20 30 BGEDMO C=CC[N@@H+](Cc1cncc2ccccc21)C1CC1 ZINC000784256483 585853551 /nfs/dbraw/zinc/85/35/51/585853551.db2.gz CWUKGDMDHUNNLX-UHFFFAOYSA-N 1 1 238.334 3.385 20 30 BGEDMO C#CCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000784354796 585856822 /nfs/dbraw/zinc/85/68/22/585856822.db2.gz WRGSLBJNVHLHGX-BBRMVZONSA-N 1 1 243.350 3.101 20 30 BGEDMO C#CCC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000784354798 585856785 /nfs/dbraw/zinc/85/67/85/585856785.db2.gz WRGSLBJNVHLHGX-CJNGLKHVSA-N 1 1 243.350 3.101 20 30 BGEDMO C#CCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000784354800 585856651 /nfs/dbraw/zinc/85/66/51/585856651.db2.gz WRGSLBJNVHLHGX-CZUORRHYSA-N 1 1 243.350 3.101 20 30 BGEDMO C#CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000784354801 585856707 /nfs/dbraw/zinc/85/67/07/585856707.db2.gz WRGSLBJNVHLHGX-XJKSGUPXSA-N 1 1 243.350 3.101 20 30 BGEDMO C=CC[N@@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000784376077 583013775 /nfs/dbraw/zinc/01/37/75/583013775.db2.gz YGBNXAUUUFGZCR-INIZCTEOSA-N 1 1 244.382 3.082 20 30 BGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000784376078 583013637 /nfs/dbraw/zinc/01/36/37/583013637.db2.gz YGBNXAUUUFGZCR-MRXNPFEDSA-N 1 1 244.382 3.082 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@@]1(CC)CO ZINC000784388637 585857783 /nfs/dbraw/zinc/85/77/83/585857783.db2.gz KCBOCNSORDHALV-AWEZNQCLSA-N 1 1 227.392 3.194 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@]1(CC)CO ZINC000784388638 585857849 /nfs/dbraw/zinc/85/78/49/585857849.db2.gz KCBOCNSORDHALV-CQSZACIVSA-N 1 1 227.392 3.194 20 30 BGEDMO CCCCCCC[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000784394946 585858674 /nfs/dbraw/zinc/85/86/74/585858674.db2.gz QGIGTJODNMIXGL-HDJSIYSDSA-N 1 1 227.392 3.192 20 30 BGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000784452026 585860340 /nfs/dbraw/zinc/86/03/40/585860340.db2.gz ZFYRFLIZIYQHLY-HNNXBMFYSA-N 1 1 246.329 3.282 20 30 BGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000784452026 585860339 /nfs/dbraw/zinc/86/03/39/585860339.db2.gz ZFYRFLIZIYQHLY-HNNXBMFYSA-N 1 1 246.329 3.282 20 30 BGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000784452028 585860423 /nfs/dbraw/zinc/86/04/23/585860423.db2.gz ZFYRFLIZIYQHLY-OAHLLOKOSA-N 1 1 246.329 3.282 20 30 BGEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000784452028 585860422 /nfs/dbraw/zinc/86/04/22/585860422.db2.gz ZFYRFLIZIYQHLY-OAHLLOKOSA-N 1 1 246.329 3.282 20 30 BGEDMO CCCCCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000784453763 585860317 /nfs/dbraw/zinc/86/03/17/585860317.db2.gz MJPTYIUXKBAEAN-CYBMUJFWSA-N 1 1 208.349 3.192 20 30 BGEDMO CCCCCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000784453769 585860321 /nfs/dbraw/zinc/86/03/21/585860321.db2.gz MJPTYIUXKBAEAN-ZDUSSCGKSA-N 1 1 208.349 3.192 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000784477030 585860954 /nfs/dbraw/zinc/86/09/54/585860954.db2.gz PSGQQOLZRPIRNJ-INIZCTEOSA-N 1 1 227.351 3.198 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000784477040 585861134 /nfs/dbraw/zinc/86/11/34/585861134.db2.gz PSGQQOLZRPIRNJ-MRXNPFEDSA-N 1 1 227.351 3.198 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000784480463 585860932 /nfs/dbraw/zinc/86/09/32/585860932.db2.gz GIBLTEULQVQYLU-INIZCTEOSA-N 1 1 227.351 3.198 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000784480464 585861059 /nfs/dbraw/zinc/86/10/59/585861059.db2.gz GIBLTEULQVQYLU-MRXNPFEDSA-N 1 1 227.351 3.198 20 30 BGEDMO C#CCC[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000784500456 585861499 /nfs/dbraw/zinc/86/14/99/585861499.db2.gz ZXHNEGYVXAOYGN-HNNXBMFYSA-N 1 1 227.351 3.116 20 30 BGEDMO C#CCC[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000784500458 585861458 /nfs/dbraw/zinc/86/14/58/585861458.db2.gz ZXHNEGYVXAOYGN-OAHLLOKOSA-N 1 1 227.351 3.116 20 30 BGEDMO C#CC[N@H+](Cc1cncc(C)c1)C1CCCCC1 ZINC000785446082 585874038 /nfs/dbraw/zinc/87/40/38/585874038.db2.gz XMWHMODKOGZNJF-UHFFFAOYSA-N 1 1 242.366 3.158 20 30 BGEDMO CCCC(=NNc1cc[nH+]cc1)c1ccsc1 ZINC000785460976 584008087 /nfs/dbraw/zinc/00/80/87/584008087.db2.gz IFEBGUNDXPHNTP-UHFFFAOYSA-N 1 1 245.351 3.181 20 30 BGEDMO C#CC[N@@H+](C)CCc1cc(Cl)ccc1Cl ZINC000785821354 585881522 /nfs/dbraw/zinc/88/15/22/585881522.db2.gz AZIQERRPAVWYRY-UHFFFAOYSA-N 1 1 242.149 3.101 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000785833023 585881698 /nfs/dbraw/zinc/88/16/98/585881698.db2.gz OPCFGNQCVFUSCK-CYBMUJFWSA-N 1 1 227.351 3.408 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000785833024 585881827 /nfs/dbraw/zinc/88/18/27/585881827.db2.gz OPCFGNQCVFUSCK-ZDUSSCGKSA-N 1 1 227.351 3.408 20 30 BGEDMO C#CC[N@H+](C[C@@H]1C(C)=CCC[C@@H]1C)C1CC1 ZINC000785980060 585884712 /nfs/dbraw/zinc/88/47/12/585884712.db2.gz WFMQSJHJNKJXME-DZGCQCFKSA-N 1 1 217.356 3.076 20 30 BGEDMO C#CC[N@H+](C[C@H]1C(C)=CCC[C@H]1C)C1CC1 ZINC000785980064 585884626 /nfs/dbraw/zinc/88/46/26/585884626.db2.gz WFMQSJHJNKJXME-HIFRSBDPSA-N 1 1 217.356 3.076 20 30 BGEDMO C#CC[N@H+](C[C@@H]1C(C)=CCC[C@H]1C)C1CC1 ZINC000785980066 585884762 /nfs/dbraw/zinc/88/47/62/585884762.db2.gz WFMQSJHJNKJXME-UKRRQHHQSA-N 1 1 217.356 3.076 20 30 BGEDMO C#CC[N@H+](C[C@H]1C(C)=CCC[C@@H]1C)C1CC1 ZINC000785980067 585884612 /nfs/dbraw/zinc/88/46/12/585884612.db2.gz WFMQSJHJNKJXME-ZFWWWQNUSA-N 1 1 217.356 3.076 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000785996192 585884543 /nfs/dbraw/zinc/88/45/43/585884543.db2.gz CFMWSRPFSNHBGR-NXEZZACHSA-N 1 1 234.170 3.221 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC000785996193 585884615 /nfs/dbraw/zinc/88/46/15/585884615.db2.gz CFMWSRPFSNHBGR-UWVGGRQHSA-N 1 1 234.170 3.221 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC000785996194 585884623 /nfs/dbraw/zinc/88/46/23/585884623.db2.gz CFMWSRPFSNHBGR-VHSXEESVSA-N 1 1 234.170 3.221 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000785996195 585884538 /nfs/dbraw/zinc/88/45/38/585884538.db2.gz CFMWSRPFSNHBGR-ZJUUUORDSA-N 1 1 234.170 3.221 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000785998185 585884845 /nfs/dbraw/zinc/88/48/45/585884845.db2.gz YGZZVGOUTAYDEG-GFCCVEGCSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000785998185 585884844 /nfs/dbraw/zinc/88/48/44/585884844.db2.gz YGZZVGOUTAYDEG-GFCCVEGCSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000785998186 585885147 /nfs/dbraw/zinc/88/51/47/585885147.db2.gz YGZZVGOUTAYDEG-LBPRGKRZSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000785998186 585885146 /nfs/dbraw/zinc/88/51/46/585885146.db2.gz YGZZVGOUTAYDEG-LBPRGKRZSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccnc1Cl ZINC000785998455 585885075 /nfs/dbraw/zinc/88/50/75/585885075.db2.gz FMJSXQYVLJIIRG-GFCCVEGCSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cccnc1Cl ZINC000785998455 585885074 /nfs/dbraw/zinc/88/50/74/585885074.db2.gz FMJSXQYVLJIIRG-GFCCVEGCSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccnc1Cl ZINC000785998456 585885079 /nfs/dbraw/zinc/88/50/79/585885079.db2.gz FMJSXQYVLJIIRG-LBPRGKRZSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccnc1Cl ZINC000785998456 585885078 /nfs/dbraw/zinc/88/50/78/585885078.db2.gz FMJSXQYVLJIIRG-LBPRGKRZSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1CCc1cccs1 ZINC000785998504 585885041 /nfs/dbraw/zinc/88/50/41/585885041.db2.gz HEFSMYGNEKBWHK-GFCCVEGCSA-N 1 1 221.369 3.331 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1CCc1cccs1 ZINC000785998505 585884904 /nfs/dbraw/zinc/88/49/04/585884904.db2.gz HEFSMYGNEKBWHK-LBPRGKRZSA-N 1 1 221.369 3.331 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000785998730 584016176 /nfs/dbraw/zinc/01/61/76/584016176.db2.gz LPNUEPMMKBPVNQ-INIZCTEOSA-N 1 1 243.350 3.257 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000785998731 584016214 /nfs/dbraw/zinc/01/62/14/584016214.db2.gz LPNUEPMMKBPVNQ-MRXNPFEDSA-N 1 1 243.350 3.257 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)n1 ZINC000785999041 585884887 /nfs/dbraw/zinc/88/48/87/585884887.db2.gz PXNGPLYOYSYWBV-GFCCVEGCSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)n1 ZINC000785999041 585884886 /nfs/dbraw/zinc/88/48/86/585884886.db2.gz PXNGPLYOYSYWBV-GFCCVEGCSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)n1 ZINC000785999043 585884940 /nfs/dbraw/zinc/88/49/40/585884940.db2.gz PXNGPLYOYSYWBV-LBPRGKRZSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)n1 ZINC000785999043 585884939 /nfs/dbraw/zinc/88/49/39/585884939.db2.gz PXNGPLYOYSYWBV-LBPRGKRZSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000785999082 585884920 /nfs/dbraw/zinc/88/49/20/585884920.db2.gz QLFMCSQNETUWMW-HNNXBMFYSA-N 1 1 244.382 3.293 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000785999084 585884931 /nfs/dbraw/zinc/88/49/31/585884931.db2.gz QLFMCSQNETUWMW-OAHLLOKOSA-N 1 1 244.382 3.293 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000785999417 585884852 /nfs/dbraw/zinc/88/48/52/585884852.db2.gz UQQCJUHJFNHIBH-GFCCVEGCSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccnc(Cl)c1 ZINC000785999417 585884851 /nfs/dbraw/zinc/88/48/51/585884851.db2.gz UQQCJUHJFNHIBH-GFCCVEGCSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000785999420 585884879 /nfs/dbraw/zinc/88/48/79/585884879.db2.gz UQQCJUHJFNHIBH-LBPRGKRZSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccnc(Cl)c1 ZINC000785999420 585884878 /nfs/dbraw/zinc/88/48/78/585884878.db2.gz UQQCJUHJFNHIBH-LBPRGKRZSA-N 1 1 236.746 3.276 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000785999470 585884818 /nfs/dbraw/zinc/88/48/18/585884818.db2.gz VRLUBLAVKAMBAL-GFCCVEGCSA-N 1 1 223.360 3.032 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000785999471 585884923 /nfs/dbraw/zinc/88/49/23/585884923.db2.gz VRLUBLAVKAMBAL-LBPRGKRZSA-N 1 1 223.360 3.032 20 30 BGEDMO C=CCC[N@H+](C)Cn1c2ccccc2oc1=S ZINC000786100661 585887214 /nfs/dbraw/zinc/88/72/14/585887214.db2.gz DAXZHELAEMHJKP-UHFFFAOYSA-N 1 1 248.351 3.429 20 30 BGEDMO C=CCC[N@H+](C)Cn1nc(Cl)c2ccccc21 ZINC000786100941 585887050 /nfs/dbraw/zinc/88/70/50/585887050.db2.gz HBEJCLXLARYNSR-UHFFFAOYSA-N 1 1 249.745 3.155 20 30 BGEDMO C=CCC[N@H+](C)Cn1cc(-c2ccccc2)cn1 ZINC000786101038 585887463 /nfs/dbraw/zinc/88/74/63/585887463.db2.gz HZFFFYJJRXMQID-UHFFFAOYSA-N 1 1 241.338 3.016 20 30 BGEDMO C=CCC[N@H+](C)Cn1ccc(-c2ccsc2)n1 ZINC000786101127 585887436 /nfs/dbraw/zinc/88/74/36/585887436.db2.gz JLCJYSAEHAVDPF-UHFFFAOYSA-N 1 1 247.367 3.077 20 30 BGEDMO C=CCC[N@H+](C)Cn1ccn(C(C)C)c1=S ZINC000786101330 585887399 /nfs/dbraw/zinc/88/73/99/585887399.db2.gz KDBGLLUVCBZEFD-UHFFFAOYSA-N 1 1 239.388 3.065 20 30 BGEDMO C=CCC[N@@H+](C)Cn1ccn(C(C)C)c1=S ZINC000786101330 585887398 /nfs/dbraw/zinc/88/73/98/585887398.db2.gz KDBGLLUVCBZEFD-UHFFFAOYSA-N 1 1 239.388 3.065 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000786101760 585887251 /nfs/dbraw/zinc/88/72/51/585887251.db2.gz QBTWBDHBWKLHDP-UHFFFAOYSA-N 1 1 219.328 3.017 20 30 BGEDMO C=CCC[N@H+](C)Cn1cnc2cc(C)c(C)cc21 ZINC000786101900 585887256 /nfs/dbraw/zinc/88/72/56/585887256.db2.gz ROFXABCDCZLKPN-UHFFFAOYSA-N 1 1 243.354 3.119 20 30 BGEDMO C=CCC[N@H+](C)Cn1ccc(-c2ccccc2)n1 ZINC000786102301 585887488 /nfs/dbraw/zinc/88/74/88/585887488.db2.gz VXHNTINVKYDQDY-UHFFFAOYSA-N 1 1 241.338 3.016 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000786102424 584016903 /nfs/dbraw/zinc/01/69/03/584016903.db2.gz XUEBWHTUXLRAQX-UHFFFAOYSA-N 1 1 245.366 3.279 20 30 BGEDMO C=CCC[N@H+](C)Cn1ccc(-c2cccs2)n1 ZINC000786102492 585887322 /nfs/dbraw/zinc/88/73/22/585887322.db2.gz ZXGVIOZERFVFJP-UHFFFAOYSA-N 1 1 247.367 3.077 20 30 BGEDMO C#CCC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000786131274 585887630 /nfs/dbraw/zinc/88/76/30/585887630.db2.gz UVQOLVANNTZBMN-GOEBONIOSA-N 1 1 227.351 3.196 20 30 BGEDMO C#CCC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000786131276 585887737 /nfs/dbraw/zinc/88/77/37/585887737.db2.gz UVQOLVANNTZBMN-HOCLYGCPSA-N 1 1 227.351 3.196 20 30 BGEDMO C#CCC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000786131277 585887568 /nfs/dbraw/zinc/88/75/68/585887568.db2.gz UVQOLVANNTZBMN-ZBFHGGJFSA-N 1 1 227.351 3.196 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000786447555 644775914 /nfs/dbraw/zinc/77/59/14/644775914.db2.gz WCXZXKPYNBUATH-UHFFFAOYSA-N 1 1 245.153 3.396 20 30 BGEDMO C=CCC[N@H+](C)Cc1cncc2ccccc21 ZINC000786447907 644774997 /nfs/dbraw/zinc/77/49/97/644774997.db2.gz ZLONZKUOVCLNQJ-UHFFFAOYSA-N 1 1 226.323 3.243 20 30 BGEDMO C=CCC[N@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000786578143 585895087 /nfs/dbraw/zinc/89/50/87/585895087.db2.gz IQPPQCXFBMHLIX-UHFFFAOYSA-N 1 1 224.735 3.051 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(OCOCC)cc1 ZINC000786578640 585895303 /nfs/dbraw/zinc/89/53/03/585895303.db2.gz LCDNKZNMKIRBBR-UHFFFAOYSA-N 1 1 249.354 3.067 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc2cccc(OC)c2o1 ZINC000786578824 585895389 /nfs/dbraw/zinc/89/53/89/585895389.db2.gz NGFKJRLOSVRQED-UHFFFAOYSA-N 1 1 245.322 3.449 20 30 BGEDMO C#CCCOc1ccc(C[N@@H+](C)CCC=C)cc1 ZINC000786579266 585895437 /nfs/dbraw/zinc/89/54/37/585895437.db2.gz RBQDJLFWNUGBOK-UHFFFAOYSA-N 1 1 243.350 3.097 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000786579959 585895348 /nfs/dbraw/zinc/89/53/48/585895348.db2.gz WHOWZESIUGBPEN-UHFFFAOYSA-N 1 1 225.719 3.054 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000786580026 585895383 /nfs/dbraw/zinc/89/53/83/585895383.db2.gz WZGCNMYYTKWWBU-UHFFFAOYSA-N 1 1 239.746 3.362 20 30 BGEDMO C=CC[N@@H+](Cc1scnc1C1CC1)C(C)C ZINC000787102052 585901539 /nfs/dbraw/zinc/90/15/39/585901539.db2.gz NAADLWMHRLQPST-UHFFFAOYSA-N 1 1 236.384 3.417 20 30 BGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)CC1(C)CC1 ZINC000787132731 585901990 /nfs/dbraw/zinc/90/19/90/585901990.db2.gz PZXIBIWEJAIACQ-UHFFFAOYSA-N 1 1 231.314 3.061 20 30 BGEDMO C#CC[N@H+](CC1(C)CC1)C1CCCCC1 ZINC000787132757 585901892 /nfs/dbraw/zinc/90/18/92/585901892.db2.gz 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/nfs/dbraw/zinc/99/80/00/585998000.db2.gz XDTRGDXMUJUHSO-UHFFFAOYSA-N 1 1 232.302 3.094 20 30 BGEDMO C#CC[N@H+](Cc1cc(C)ccn1)C1CCCCC1 ZINC000792209332 585997925 /nfs/dbraw/zinc/99/79/25/585997925.db2.gz BYCYUTLICLETFR-UHFFFAOYSA-N 1 1 242.366 3.158 20 30 BGEDMO CCCCCCCCC[N@H+]1CCCOCC1 ZINC000792215735 585998213 /nfs/dbraw/zinc/99/82/13/585998213.db2.gz JYPJMOLWHLWYGE-UHFFFAOYSA-N 1 1 227.392 3.459 20 30 BGEDMO CCCCCCCCC[N@H+]1CCN(C)[C@@H](C)C1 ZINC000792263872 644795789 /nfs/dbraw/zinc/79/57/89/644795789.db2.gz CZMYGSKXWRQIJK-HNNXBMFYSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCCC[N@H+]1CCN(C)[C@H](C)C1 ZINC000792263874 644796738 /nfs/dbraw/zinc/79/67/38/644796738.db2.gz CZMYGSKXWRQIJK-OAHLLOKOSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCCC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000792296954 585999482 /nfs/dbraw/zinc/99/94/82/585999482.db2.gz FIMBRJGVIPKDIU-CABCVRRESA-N 1 1 239.403 3.051 20 30 BGEDMO CCCCCCCCC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000792296957 585999447 /nfs/dbraw/zinc/99/94/47/585999447.db2.gz FIMBRJGVIPKDIU-LSDHHAIUSA-N 1 1 239.403 3.051 20 30 BGEDMO C#CC[N@H+](C)Cc1c(C)ccc2ccccc21 ZINC000792298867 585999566 /nfs/dbraw/zinc/99/95/66/585999566.db2.gz VTGGEWHEJIFWGC-UHFFFAOYSA-N 1 1 223.319 3.213 20 30 BGEDMO C#CCCC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000792322433 585999616 /nfs/dbraw/zinc/99/96/16/585999616.db2.gz BYXUIGLVCJJUPV-UHFFFAOYSA-N 1 1 249.304 3.343 20 30 BGEDMO C#CCCC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000792322433 585999615 /nfs/dbraw/zinc/99/96/15/585999615.db2.gz BYXUIGLVCJJUPV-UHFFFAOYSA-N 1 1 249.304 3.343 20 30 BGEDMO C#CCCC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000792359806 586000155 /nfs/dbraw/zinc/00/01/55/586000155.db2.gz BXQXUFCYAJECTI-LLVKDONJSA-N 1 1 247.304 3.310 20 30 BGEDMO C#CCCC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000792359809 585999913 /nfs/dbraw/zinc/99/99/13/585999913.db2.gz BXQXUFCYAJECTI-NSHDSACASA-N 1 1 247.304 3.310 20 30 BGEDMO C#CCC[N@H+](C)C1CCC(CCC)CC1 ZINC000792466747 586001059 /nfs/dbraw/zinc/00/10/59/586001059.db2.gz GFTPAJZJBGJKFG-UHFFFAOYSA-N 1 1 207.361 3.300 20 30 BGEDMO C=CC[N@H+](CCCc1ccc(C)nc1)C(C)C ZINC000792794201 586005314 /nfs/dbraw/zinc/00/53/14/586005314.db2.gz IOKOREVBPABHQF-UHFFFAOYSA-N 1 1 232.371 3.219 20 30 BGEDMO C#CC[N@H+](CCCCCF)C1CCCCC1 ZINC000792866506 586006135 /nfs/dbraw/zinc/00/61/35/586006135.db2.gz HTKURQCVNPDGBH-UHFFFAOYSA-N 1 1 225.351 3.394 20 30 BGEDMO C=CCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792900022 586006723 /nfs/dbraw/zinc/00/67/23/586006723.db2.gz IMDFCWDXBJWJBY-VHSXEESVSA-N 1 1 234.170 3.078 20 30 BGEDMO C=CCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792900024 586006858 /nfs/dbraw/zinc/00/68/58/586006858.db2.gz IMDFCWDXBJWJBY-ZJUUUORDSA-N 1 1 234.170 3.078 20 30 BGEDMO C=C(C)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792900342 586006640 /nfs/dbraw/zinc/00/66/40/586006640.db2.gz BFKNLUVMVLZAOE-VHSXEESVSA-N 1 1 234.170 3.078 20 30 BGEDMO C=C(C)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792900343 586006605 /nfs/dbraw/zinc/00/66/05/586006605.db2.gz BFKNLUVMVLZAOE-ZJUUUORDSA-N 1 1 234.170 3.078 20 30 BGEDMO C=CCCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792905763 586006778 /nfs/dbraw/zinc/00/67/78/586006778.db2.gz NJPAKGOTZSSQAJ-MNOVXSKESA-N 1 1 248.197 3.468 20 30 BGEDMO C=CCCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792905766 586006811 /nfs/dbraw/zinc/00/68/11/586006811.db2.gz NJPAKGOTZSSQAJ-WDEREUQCSA-N 1 1 248.197 3.468 20 30 BGEDMO C=C(CC)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792906031 586006844 /nfs/dbraw/zinc/00/68/44/586006844.db2.gz NRUKUKGFGNQODC-MNOVXSKESA-N 1 1 248.197 3.468 20 30 BGEDMO C=C(CC)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792906035 586006849 /nfs/dbraw/zinc/00/68/49/586006849.db2.gz NRUKUKGFGNQODC-WDEREUQCSA-N 1 1 248.197 3.468 20 30 BGEDMO C=C(C)CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792910247 586006633 /nfs/dbraw/zinc/00/66/33/586006633.db2.gz ZOFAROWDAKIMNB-MNOVXSKESA-N 1 1 248.197 3.468 20 30 BGEDMO C=C(C)CC[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792910249 586006395 /nfs/dbraw/zinc/00/63/95/586006395.db2.gz ZOFAROWDAKIMNB-WDEREUQCSA-N 1 1 248.197 3.468 20 30 BGEDMO C#CCCC[N@H+](C)C(C)(C)c1ccccc1 ZINC000792929360 586007085 /nfs/dbraw/zinc/00/70/85/586007085.db2.gz ZSGJSVYNFCFJMO-UHFFFAOYSA-N 1 1 215.340 3.267 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000792941015 586007519 /nfs/dbraw/zinc/00/75/19/586007519.db2.gz QQCORIVQKXNDTC-HNNXBMFYSA-N 1 1 239.403 3.459 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000792941016 586007462 /nfs/dbraw/zinc/00/74/62/586007462.db2.gz QQCORIVQKXNDTC-OAHLLOKOSA-N 1 1 239.403 3.459 20 30 BGEDMO C#CCCC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000792941181 586007488 /nfs/dbraw/zinc/00/74/88/586007488.db2.gz SPMGPIPFWWLMCT-UHFFFAOYSA-N 1 1 225.335 3.189 20 30 BGEDMO CC[C@@H](C)CON=Cc1[nH+]c(C)n2ccccc12 ZINC000793146692 586011773 /nfs/dbraw/zinc/01/17/73/586011773.db2.gz UOZRCNNPZMRYTE-LLVKDONJSA-N 1 1 245.326 3.039 20 30 BGEDMO CC[C@H](C)CON=Cc1[nH+]c(C)n2ccccc12 ZINC000793146694 586011796 /nfs/dbraw/zinc/01/17/96/586011796.db2.gz UOZRCNNPZMRYTE-NSHDSACASA-N 1 1 245.326 3.039 20 30 BGEDMO CC[C@H](C)CO[NH+]=Cc1ccc(N(C)C)s1 ZINC000793147177 583564100 /nfs/dbraw/zinc/56/41/00/583564100.db2.gz ZZAVYHUEDBLWCF-JTQLQIEISA-N 1 1 240.372 3.211 20 30 BGEDMO CC[C@@H](C)CO[NH+]=Cc1ccc(N(C)C)s1 ZINC000793147179 583563985 /nfs/dbraw/zinc/56/39/85/583563985.db2.gz ZZAVYHUEDBLWCF-SNVBAGLBSA-N 1 1 240.372 3.211 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)C[C@@H](c1ccccc1)C(C)C ZINC000793185586 586013511 /nfs/dbraw/zinc/01/35/11/586013511.db2.gz JRGAWMUQSJCUTG-GDBMZVCRSA-N 1 1 229.367 3.380 20 30 BGEDMO C#C[C@H](C)[N@H+](C)C[C@@H](c1ccccc1)C(C)C ZINC000793185590 586013587 /nfs/dbraw/zinc/01/35/87/586013587.db2.gz JRGAWMUQSJCUTG-GOEBONIOSA-N 1 1 229.367 3.380 20 30 BGEDMO C#C[C@H](C)[N@H+](C)C[C@H](c1ccccc1)C(C)C ZINC000793185591 586013422 /nfs/dbraw/zinc/01/34/22/586013422.db2.gz JRGAWMUQSJCUTG-HOCLYGCPSA-N 1 1 229.367 3.380 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)C[C@H](c1ccccc1)C(C)C ZINC000793185593 586013387 /nfs/dbraw/zinc/01/33/87/586013387.db2.gz JRGAWMUQSJCUTG-ZBFHGGJFSA-N 1 1 229.367 3.380 20 30 BGEDMO C#CCCOc1ccc(C[N@@H+]2[C@H](C)C[C@@H]2C)cc1 ZINC000793219641 586014310 /nfs/dbraw/zinc/01/43/10/586014310.db2.gz BSBMSAKXUDNPNB-OKILXGFUSA-N 1 1 243.350 3.071 20 30 BGEDMO C=CCCCCC[C@@H](C)[NH2+]Cc1cn[nH]c1C ZINC000793538401 586022286 /nfs/dbraw/zinc/02/22/86/586022286.db2.gz DAYVLNYTYUJZCQ-GFCCVEGCSA-N 1 1 235.375 3.333 20 30 BGEDMO C=CCCCCC[C@H](C)[NH2+]Cc1cn[nH]c1C ZINC000793538403 586022290 /nfs/dbraw/zinc/02/22/90/586022290.db2.gz DAYVLNYTYUJZCQ-LBPRGKRZSA-N 1 1 235.375 3.333 20 30 BGEDMO C=CCCCCC[C@@H](C)[NH2+]Cc1ncccc1O ZINC000793591829 586023775 /nfs/dbraw/zinc/02/37/75/586023775.db2.gz RFTLGJFNOGEPIP-CYBMUJFWSA-N 1 1 248.370 3.402 20 30 BGEDMO C=CCCCCC[C@H](C)[NH2+]Cc1ncccc1O ZINC000793591830 586023826 /nfs/dbraw/zinc/02/38/26/586023826.db2.gz RFTLGJFNOGEPIP-ZDUSSCGKSA-N 1 1 248.370 3.402 20 30 BGEDMO C=CC[N@@H+](Cc1cccc(F)c1C#N)C(C)C ZINC000794276736 586036781 /nfs/dbraw/zinc/03/67/81/586036781.db2.gz WXZKPBQBANXGCQ-UHFFFAOYSA-N 1 1 232.302 3.094 20 30 BGEDMO C=CC[N@H+](Cc1cccc(F)c1C#N)C(C)C ZINC000794276736 586036780 /nfs/dbraw/zinc/03/67/80/586036780.db2.gz WXZKPBQBANXGCQ-UHFFFAOYSA-N 1 1 232.302 3.094 20 30 BGEDMO C#CC[N@H+](CC)C[C@H](OC(C)C)c1ccccc1 ZINC000794392684 586038822 /nfs/dbraw/zinc/03/88/22/586038822.db2.gz JOECYMXJTJOYBB-INIZCTEOSA-N 1 1 245.366 3.108 20 30 BGEDMO C#CC[N@H+](CC)C[C@@H](OC(C)C)c1ccccc1 ZINC000794392685 586038858 /nfs/dbraw/zinc/03/88/58/586038858.db2.gz JOECYMXJTJOYBB-MRXNPFEDSA-N 1 1 245.366 3.108 20 30 BGEDMO C=CCCC[N@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000794437224 586039610 /nfs/dbraw/zinc/03/96/10/586039610.db2.gz XGCSXKJPHIAJQG-LLVKDONJSA-N 1 1 238.762 3.484 20 30 BGEDMO C=CCCC[N@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000794437225 586039678 /nfs/dbraw/zinc/03/96/78/586039678.db2.gz XGCSXKJPHIAJQG-NSHDSACASA-N 1 1 238.762 3.484 20 30 BGEDMO C=C(C)CC[N@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000794438268 586039524 /nfs/dbraw/zinc/03/95/24/586039524.db2.gz WNQIMGXDLXTVPC-LLVKDONJSA-N 1 1 238.762 3.484 20 30 BGEDMO C=C(C)CC[N@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000794438269 586039630 /nfs/dbraw/zinc/03/96/30/586039630.db2.gz WNQIMGXDLXTVPC-NSHDSACASA-N 1 1 238.762 3.484 20 30 BGEDMO C=C(CC)C[N@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000794443167 586039918 /nfs/dbraw/zinc/03/99/18/586039918.db2.gz JTAXDYBCAOZWRG-LLVKDONJSA-N 1 1 238.762 3.484 20 30 BGEDMO C=C(CC)C[N@@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000794443167 586039917 /nfs/dbraw/zinc/03/99/17/586039917.db2.gz JTAXDYBCAOZWRG-LLVKDONJSA-N 1 1 238.762 3.484 20 30 BGEDMO C=C(CC)C[N@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000794443172 586039866 /nfs/dbraw/zinc/03/98/66/586039866.db2.gz JTAXDYBCAOZWRG-NSHDSACASA-N 1 1 238.762 3.484 20 30 BGEDMO C=C(CC)C[N@@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000794443172 586039865 /nfs/dbraw/zinc/03/98/65/586039865.db2.gz JTAXDYBCAOZWRG-NSHDSACASA-N 1 1 238.762 3.484 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000794534310 586042313 /nfs/dbraw/zinc/04/23/13/586042313.db2.gz PQYZETLHIALFBZ-GDBMZVCRSA-N 1 1 245.366 3.106 20 30 BGEDMO C#C[C@H](C)[N@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000794534311 583604347 /nfs/dbraw/zinc/60/43/47/583604347.db2.gz PQYZETLHIALFBZ-GOEBONIOSA-N 1 1 245.366 3.106 20 30 BGEDMO C#C[C@H](C)[N@H+](C)C[C@H](OC(C)C)c1ccccc1 ZINC000794534314 583604357 /nfs/dbraw/zinc/60/43/57/583604357.db2.gz PQYZETLHIALFBZ-HOCLYGCPSA-N 1 1 245.366 3.106 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)C[C@H](OC(C)C)c1ccccc1 ZINC000794534318 583604287 /nfs/dbraw/zinc/60/42/87/583604287.db2.gz PQYZETLHIALFBZ-ZBFHGGJFSA-N 1 1 245.366 3.106 20 30 BGEDMO C#CCC[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000794683032 586046750 /nfs/dbraw/zinc/04/67/50/586046750.db2.gz FNSBLROXBLSVRE-AWEZNQCLSA-N 1 1 215.340 3.481 20 30 BGEDMO C#CCC[N@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000794683034 586046833 /nfs/dbraw/zinc/04/68/33/586046833.db2.gz FNSBLROXBLSVRE-CQSZACIVSA-N 1 1 215.340 3.481 20 30 BGEDMO CCCCCCCC[N@@H+](CC)[C@H](C)CO ZINC000794693564 586046899 /nfs/dbraw/zinc/04/68/99/586046899.db2.gz TXYDEOCGEKFXEF-CYBMUJFWSA-N 1 1 215.381 3.050 20 30 BGEDMO C=CC[N@H+](CCC#N)CCCCCCC ZINC000794733984 586047708 /nfs/dbraw/zinc/04/77/08/586047708.db2.gz IQVALQNXRHHHSZ-UHFFFAOYSA-N 1 1 208.349 3.358 20 30 BGEDMO C=CC[N@@H+](CCC#N)CCCCCCC ZINC000794733984 586047707 /nfs/dbraw/zinc/04/77/07/586047707.db2.gz IQVALQNXRHHHSZ-UHFFFAOYSA-N 1 1 208.349 3.358 20 30 BGEDMO C=CC[N@@H+](CCC#N)C[C@@H]1CCc2ccccc21 ZINC000794735712 586047795 /nfs/dbraw/zinc/04/77/95/586047795.db2.gz RSTDKNYYKJQXFD-HNNXBMFYSA-N 1 1 240.350 3.118 20 30 BGEDMO C=CC[N@H+](CCC#N)C[C@@H]1CCc2ccccc21 ZINC000794735712 586047794 /nfs/dbraw/zinc/04/77/94/586047794.db2.gz RSTDKNYYKJQXFD-HNNXBMFYSA-N 1 1 240.350 3.118 20 30 BGEDMO C=CC[N@@H+](CCC#N)C[C@H]1CCc2ccccc21 ZINC000794735716 586047784 /nfs/dbraw/zinc/04/77/84/586047784.db2.gz RSTDKNYYKJQXFD-OAHLLOKOSA-N 1 1 240.350 3.118 20 30 BGEDMO C=CC[N@H+](CCC#N)C[C@H]1CCc2ccccc21 ZINC000794735716 586047783 /nfs/dbraw/zinc/04/77/83/586047783.db2.gz RSTDKNYYKJQXFD-OAHLLOKOSA-N 1 1 240.350 3.118 20 30 BGEDMO CCC(=NNc1cc[nH+]cc1)c1cccc(C)c1 ZINC000794927751 586055923 /nfs/dbraw/zinc/05/59/23/586055923.db2.gz PXPGVXMTJPWKHN-UHFFFAOYSA-N 1 1 239.322 3.038 20 30 BGEDMO CCCCCCCC[N@@H+](C)C1(CO)CCC1 ZINC000795191829 586070662 /nfs/dbraw/zinc/07/06/62/586070662.db2.gz HUHKXIJSCHSGID-UHFFFAOYSA-N 1 1 227.392 3.194 20 30 BGEDMO CCCCCCC[N@@H+](C)C(C)(C)COC ZINC000795193411 586071210 /nfs/dbraw/zinc/07/12/10/586071210.db2.gz QQNLDIXUPCLLBQ-UHFFFAOYSA-N 1 1 215.381 3.314 20 30 BGEDMO C=C(C)CCO[NH+]=C(N)CCc1ccccc1 ZINC000795203397 586070773 /nfs/dbraw/zinc/07/07/73/586070773.db2.gz AKVFELBEGFKGKY-UHFFFAOYSA-N 1 1 232.327 3.084 20 30 BGEDMO C=C(C)CCO[NH+]=C(N)CCCc1ccccc1 ZINC000795203509 586070557 /nfs/dbraw/zinc/07/05/57/586070557.db2.gz CNRTXWQPRZCRTB-UHFFFAOYSA-N 1 1 246.354 3.474 20 30 BGEDMO C=C(C)CCO[NH+]=C(N)C1CCCCC1 ZINC000795204620 586071795 /nfs/dbraw/zinc/07/17/95/586071795.db2.gz CPHZOPNIZQHABA-UHFFFAOYSA-N 1 1 210.321 3.031 20 30 BGEDMO C=C(C)CCO[NH+]=C(N)C1CCCCCC1 ZINC000795212110 586072238 /nfs/dbraw/zinc/07/22/38/586072238.db2.gz HXEUAWRYJJFNCT-UHFFFAOYSA-N 1 1 224.348 3.421 20 30 BGEDMO C=C(C)CCO[NH+]=C(N)Cc1ccccc1C ZINC000795212886 586072247 /nfs/dbraw/zinc/07/22/47/586072247.db2.gz QCVPNQPQMMRVHK-UHFFFAOYSA-N 1 1 232.327 3.002 20 30 BGEDMO C=CC[N@H+](CC[C@@H](O)c1ccccc1)C(C)C ZINC000795865688 586093747 /nfs/dbraw/zinc/09/37/47/586093747.db2.gz CSYZTUFECTWQFD-OAHLLOKOSA-N 1 1 233.355 3.007 20 30 BGEDMO C#CC[N@H+](CCCCF)[C@H]1CCc2ccccc21 ZINC000795873353 586094021 /nfs/dbraw/zinc/09/40/21/586094021.db2.gz NAHGXDBPKFWSGF-INIZCTEOSA-N 1 1 245.341 3.359 20 30 BGEDMO C#CC[N@H+](CCCCF)[C@@H]1CCc2ccccc21 ZINC000795873357 586093815 /nfs/dbraw/zinc/09/38/15/586093815.db2.gz NAHGXDBPKFWSGF-MRXNPFEDSA-N 1 1 245.341 3.359 20 30 BGEDMO C#CC[N@H+](CCCCF)C1CCCCC1 ZINC000795876916 586094015 /nfs/dbraw/zinc/09/40/15/586094015.db2.gz DEFZUHAPVVIKCF-UHFFFAOYSA-N 1 1 211.324 3.004 20 30 BGEDMO C#CC[N@H+](CCCCF)Cc1ccc(F)cc1 ZINC000795877781 586093837 /nfs/dbraw/zinc/09/38/37/586093837.db2.gz KZCLWMKQPQZGHD-UHFFFAOYSA-N 1 1 237.293 3.011 20 30 BGEDMO C#CC[N@H+](CC)[C@H]1CCc2cc(Cl)ccc21 ZINC000795931973 586094769 /nfs/dbraw/zinc/09/47/69/586094769.db2.gz LTJXCFWHIUPOKA-AWEZNQCLSA-N 1 1 233.742 3.282 20 30 BGEDMO C#CC[N@H+](CC)[C@@H]1CCc2cc(Cl)ccc21 ZINC000795931975 586094795 /nfs/dbraw/zinc/09/47/95/586094795.db2.gz LTJXCFWHIUPOKA-CQSZACIVSA-N 1 1 233.742 3.282 20 30 BGEDMO C=CC[N@H+](C)[C@@H]1CCc2cc(Cl)ccc21 ZINC000796014791 586096293 /nfs/dbraw/zinc/09/62/93/586096293.db2.gz KYXZBYMAVLPLEP-CYBMUJFWSA-N 1 1 221.731 3.445 20 30 BGEDMO C=CC[N@H+](C)[C@H]1CCc2cc(Cl)ccc21 ZINC000796014796 586096411 /nfs/dbraw/zinc/09/64/11/586096411.db2.gz KYXZBYMAVLPLEP-ZDUSSCGKSA-N 1 1 221.731 3.445 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000796050059 586097027 /nfs/dbraw/zinc/09/70/27/586097027.db2.gz NPWJYAKHFOGGOA-HZPDHXFCSA-N 1 1 245.366 3.151 20 30 BGEDMO CCCCCCCC[N@@H+](C)[C@H]1CCCOC1 ZINC000796197616 586098613 /nfs/dbraw/zinc/09/86/13/586098613.db2.gz OCZSGKDCPFOUTG-AWEZNQCLSA-N 1 1 227.392 3.458 20 30 BGEDMO CCCCCCCC[N@@H+](C)[C@@H]1CCCOC1 ZINC000796197617 586098739 /nfs/dbraw/zinc/09/87/39/586098739.db2.gz OCZSGKDCPFOUTG-CQSZACIVSA-N 1 1 227.392 3.458 20 30 BGEDMO C#CC[N@@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000796201575 586098786 /nfs/dbraw/zinc/09/87/86/586098786.db2.gz LOSHRCJETNBBCW-INIZCTEOSA-N 1 1 227.351 3.063 20 30 BGEDMO C#CC[N@@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000796201577 586098553 /nfs/dbraw/zinc/09/85/53/586098553.db2.gz LOSHRCJETNBBCW-MRXNPFEDSA-N 1 1 227.351 3.063 20 30 BGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCCOC1 ZINC000796202790 586098708 /nfs/dbraw/zinc/09/87/08/586098708.db2.gz MSUFFXMLEOYVLX-CYBMUJFWSA-N 1 1 213.365 3.068 20 30 BGEDMO CCCCCCC[N@@H+](C)[C@H]1CCCOC1 ZINC000796202791 586098688 /nfs/dbraw/zinc/09/86/88/586098688.db2.gz MSUFFXMLEOYVLX-ZDUSSCGKSA-N 1 1 213.365 3.068 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000796204937 586098620 /nfs/dbraw/zinc/09/86/20/586098620.db2.gz ZUGQKMYCLVJQCR-KRWDZBQOSA-N 1 1 241.378 3.454 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000796204938 586098722 /nfs/dbraw/zinc/09/87/22/586098722.db2.gz ZUGQKMYCLVJQCR-QGZVFWFLSA-N 1 1 241.378 3.454 20 30 BGEDMO CCCCCCC[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000796219221 586099100 /nfs/dbraw/zinc/09/91/00/586099100.db2.gz YVPXGDXKFNNJLJ-BETUJISGSA-N 1 1 213.365 3.066 20 30 BGEDMO C#CC[N@@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1OC ZINC000796244178 586099457 /nfs/dbraw/zinc/09/94/57/586099457.db2.gz BQPLXPGPDXUTCD-DZGCQCFKSA-N 1 1 243.350 3.101 20 30 BGEDMO C#CC[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC000796244181 586099521 /nfs/dbraw/zinc/09/95/21/586099521.db2.gz BQPLXPGPDXUTCD-HIFRSBDPSA-N 1 1 243.350 3.101 20 30 BGEDMO C#CC[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC000796244184 586099404 /nfs/dbraw/zinc/09/94/04/586099404.db2.gz BQPLXPGPDXUTCD-UKRRQHHQSA-N 1 1 243.350 3.101 20 30 BGEDMO C#CC[N@@H+]1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC000796244185 586099384 /nfs/dbraw/zinc/09/93/84/586099384.db2.gz BQPLXPGPDXUTCD-ZFWWWQNUSA-N 1 1 243.350 3.101 20 30 BGEDMO C#CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000796283184 586100003 /nfs/dbraw/zinc/10/00/03/586100003.db2.gz QRUJBWOEDSOEEA-BBWFWOEESA-N 1 1 239.362 3.278 20 30 BGEDMO C#CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000796283185 586100184 /nfs/dbraw/zinc/10/01/84/586100184.db2.gz QRUJBWOEDSOEEA-BRWVUGGUSA-N 1 1 239.362 3.278 20 30 BGEDMO C#CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000796283187 586100046 /nfs/dbraw/zinc/10/00/46/586100046.db2.gz QRUJBWOEDSOEEA-GVDBMIGSSA-N 1 1 239.362 3.278 20 30 BGEDMO C#CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000796283188 586100190 /nfs/dbraw/zinc/10/01/90/586100190.db2.gz QRUJBWOEDSOEEA-ZACQAIPSSA-N 1 1 239.362 3.278 20 30 BGEDMO CCCCCCCCN1CC[N@@H+](CC)C[C@@H]1C ZINC000796316732 586100324 /nfs/dbraw/zinc/10/03/24/586100324.db2.gz OGFYXSGJWIOKMT-HNNXBMFYSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCCN1CC[N@H+](CC)C[C@@H]1C ZINC000796316732 586100323 /nfs/dbraw/zinc/10/03/23/586100323.db2.gz OGFYXSGJWIOKMT-HNNXBMFYSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCC[N@H+]1CCN(CC)C[C@@H]1C ZINC000796316732 586100322 /nfs/dbraw/zinc/10/03/22/586100322.db2.gz OGFYXSGJWIOKMT-HNNXBMFYSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCCN1CC[N@@H+](CC)C[C@H]1C ZINC000796316733 586100265 /nfs/dbraw/zinc/10/02/65/586100265.db2.gz OGFYXSGJWIOKMT-OAHLLOKOSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCCN1CC[N@H+](CC)C[C@H]1C ZINC000796316733 586100264 /nfs/dbraw/zinc/10/02/64/586100264.db2.gz OGFYXSGJWIOKMT-OAHLLOKOSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCC[N@H+]1CCN(CC)C[C@H]1C ZINC000796316733 586100263 /nfs/dbraw/zinc/10/02/63/586100263.db2.gz OGFYXSGJWIOKMT-OAHLLOKOSA-N 1 1 240.435 3.373 20 30 BGEDMO C#CC[N@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000796432755 712424894 /nfs/dbraw/zinc/42/48/94/712424894.db2.gz ACJKXBYWZRAWFT-DZGCQCFKSA-N 1 1 213.324 3.093 20 30 BGEDMO C#CC[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000796432757 712424917 /nfs/dbraw/zinc/42/49/17/712424917.db2.gz ACJKXBYWZRAWFT-HIFRSBDPSA-N 1 1 213.324 3.093 20 30 BGEDMO C#CC[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000796432759 712424923 /nfs/dbraw/zinc/42/49/23/712424923.db2.gz ACJKXBYWZRAWFT-UKRRQHHQSA-N 1 1 213.324 3.093 20 30 BGEDMO C#CC[N@H+]1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000796432761 712424810 /nfs/dbraw/zinc/42/48/10/712424810.db2.gz ACJKXBYWZRAWFT-ZFWWWQNUSA-N 1 1 213.324 3.093 20 30 BGEDMO C#CCC[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000796434985 644811573 /nfs/dbraw/zinc/81/15/73/644811573.db2.gz ODBXSWMIKKQYCB-GDBMZVCRSA-N 1 1 227.351 3.483 20 30 BGEDMO C#CCC[N@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000796434986 644811763 /nfs/dbraw/zinc/81/17/63/644811763.db2.gz ODBXSWMIKKQYCB-GOEBONIOSA-N 1 1 227.351 3.483 20 30 BGEDMO C#CCC[N@H+]1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000796434987 644812316 /nfs/dbraw/zinc/81/23/16/644812316.db2.gz ODBXSWMIKKQYCB-HOCLYGCPSA-N 1 1 227.351 3.483 20 30 BGEDMO C#CCC[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000796434988 644811708 /nfs/dbraw/zinc/81/17/08/644811708.db2.gz ODBXSWMIKKQYCB-ZBFHGGJFSA-N 1 1 227.351 3.483 20 30 BGEDMO C#CCC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000796460438 586104228 /nfs/dbraw/zinc/10/42/28/586104228.db2.gz WRIXXAJPJRWZBH-UHFFFAOYSA-N 1 1 245.753 3.452 20 30 BGEDMO CCCCCCCCC[N@@H+](C)C1(CO)CC1 ZINC000796499863 586105228 /nfs/dbraw/zinc/10/52/28/586105228.db2.gz AWJAOPKASCQDFJ-UHFFFAOYSA-N 1 1 227.392 3.194 20 30 BGEDMO C=C(Cl)C[N@@H+](CC1CC1)CC1CCC1 ZINC000796573762 586107119 /nfs/dbraw/zinc/10/71/19/586107119.db2.gz FCMCWQXJUFJVDL-UHFFFAOYSA-N 1 1 213.752 3.251 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000796574836 586107084 /nfs/dbraw/zinc/10/70/84/586107084.db2.gz HIZDBSUDANQBFD-LLVKDONJSA-N 1 1 215.768 3.497 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000796574848 586107242 /nfs/dbraw/zinc/10/72/42/586107242.db2.gz HIZDBSUDANQBFD-NSHDSACASA-N 1 1 215.768 3.497 20 30 BGEDMO CCCCCCC[N@H+]1CCOC[C@H]1CC(F)F ZINC000796581799 586107518 /nfs/dbraw/zinc/10/75/18/586107518.db2.gz ANOQWAUOQMLYPM-GFCCVEGCSA-N 1 1 249.345 3.313 20 30 BGEDMO CCCCCCC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000796581800 586108004 /nfs/dbraw/zinc/10/80/04/586108004.db2.gz ANOQWAUOQMLYPM-LBPRGKRZSA-N 1 1 249.345 3.313 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@H](c2ccc(CC)cc2)C1 ZINC000796584556 586107870 /nfs/dbraw/zinc/10/78/70/586107870.db2.gz NOXVDUZEIOVZCC-KRWDZBQOSA-N 1 1 241.378 3.452 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC000796584557 586107863 /nfs/dbraw/zinc/10/78/63/586107863.db2.gz NOXVDUZEIOVZCC-QGZVFWFLSA-N 1 1 241.378 3.452 20 30 BGEDMO C#CC[N@@H+]1CCC[C@H](c2ccc(CC)cc2)C1 ZINC000796585370 586107825 /nfs/dbraw/zinc/10/78/25/586107825.db2.gz RZVWNXLXMNEPNW-INIZCTEOSA-N 1 1 227.351 3.062 20 30 BGEDMO C#CC[N@@H+]1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC000796585373 586107878 /nfs/dbraw/zinc/10/78/78/586107878.db2.gz RZVWNXLXMNEPNW-MRXNPFEDSA-N 1 1 227.351 3.062 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000796609656 586108265 /nfs/dbraw/zinc/10/82/65/586108265.db2.gz UOHSBTQFCVDJOC-INIZCTEOSA-N 1 1 245.341 3.203 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000796609659 586108103 /nfs/dbraw/zinc/10/81/03/586108103.db2.gz UOHSBTQFCVDJOC-MRXNPFEDSA-N 1 1 245.341 3.203 20 30 BGEDMO C#CCCC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000796621215 586108589 /nfs/dbraw/zinc/10/85/89/586108589.db2.gz UDJROXWSQAHULR-GDBMZVCRSA-N 1 1 227.351 3.483 20 30 BGEDMO C#CCCC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000796621216 586108543 /nfs/dbraw/zinc/10/85/43/586108543.db2.gz UDJROXWSQAHULR-GOEBONIOSA-N 1 1 227.351 3.483 20 30 BGEDMO C#CCCC[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000796621217 586108600 /nfs/dbraw/zinc/10/86/00/586108600.db2.gz UDJROXWSQAHULR-HOCLYGCPSA-N 1 1 227.351 3.483 20 30 BGEDMO C#CCCC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000796621218 586108602 /nfs/dbraw/zinc/10/86/02/586108602.db2.gz UDJROXWSQAHULR-ZBFHGGJFSA-N 1 1 227.351 3.483 20 30 BGEDMO C#CC[N@H+](CC(=C)CC)Cc1ccccc1 ZINC000796632756 586108884 /nfs/dbraw/zinc/10/88/84/586108884.db2.gz NQMVECQWKLTLRK-UHFFFAOYSA-N 1 1 213.324 3.088 20 30 BGEDMO C#CC[N@H+](CC=C(C)C)Cc1ccccc1 ZINC000796638622 586108745 /nfs/dbraw/zinc/10/87/45/586108745.db2.gz BUYMOGLZFWHKRP-UHFFFAOYSA-N 1 1 213.324 3.088 20 30 BGEDMO C#CC[N@H+](CCSC(C)C)Cc1ccccc1 ZINC000796639116 586109174 /nfs/dbraw/zinc/10/91/74/586109174.db2.gz GYTLFXRHQLKWCO-UHFFFAOYSA-N 1 1 247.407 3.263 20 30 BGEDMO C#CC[N@@H+](Cc1ccccc1)[C@H]1C=CCCC1 ZINC000796639529 586109012 /nfs/dbraw/zinc/10/90/12/586109012.db2.gz OKBPXPFFAJDRJQ-INIZCTEOSA-N 1 1 225.335 3.231 20 30 BGEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H]1C=CCCC1 ZINC000796639532 586109002 /nfs/dbraw/zinc/10/90/02/586109002.db2.gz OKBPXPFFAJDRJQ-MRXNPFEDSA-N 1 1 225.335 3.231 20 30 BGEDMO C#CC[N@H+](CCCC=C)Cc1ccccc1 ZINC000796640066 586108823 /nfs/dbraw/zinc/10/88/23/586108823.db2.gz FLQNBZOMFRDCCN-UHFFFAOYSA-N 1 1 213.324 3.088 20 30 BGEDMO C#CC[N@H+](CCC(=C)C)Cc1ccccc1 ZINC000796640175 586109153 /nfs/dbraw/zinc/10/91/53/586109153.db2.gz HAKAWRVOJGEOPT-UHFFFAOYSA-N 1 1 213.324 3.088 20 30 BGEDMO C#CC[N@H+](CCCCCF)Cc1ccccc1 ZINC000796641863 586109069 /nfs/dbraw/zinc/10/90/69/586109069.db2.gz VUHHLHAJHUXCQA-UHFFFAOYSA-N 1 1 233.330 3.262 20 30 BGEDMO CCCCCCCC[N@@H+](C)C[C@@H](C)OC ZINC000796642218 586108964 /nfs/dbraw/zinc/10/89/64/586108964.db2.gz ZYMNOKRSIADWGU-CYBMUJFWSA-N 1 1 215.381 3.314 20 30 BGEDMO CCCCCCCC[N@@H+](C)C[C@H](C)OC ZINC000796642219 586108933 /nfs/dbraw/zinc/10/89/33/586108933.db2.gz ZYMNOKRSIADWGU-ZDUSSCGKSA-N 1 1 215.381 3.314 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1cc(C)nc(Cl)c1 ZINC000797589155 586129521 /nfs/dbraw/zinc/12/95/21/586129521.db2.gz SUILZUCPSHFKPM-UHFFFAOYSA-N 1 1 238.762 3.441 20 30 BGEDMO C=CC[NH+](CC=C)Cc1cc(C)nc(Cl)c1 ZINC000797589171 586129359 /nfs/dbraw/zinc/12/93/59/586129359.db2.gz UUUHZGJOCXNXDE-UHFFFAOYSA-N 1 1 236.746 3.217 20 30 BGEDMO C=CC[N@@H+](Cc1cc(C)nc(Cl)c1)C(C)C ZINC000797589921 586129451 /nfs/dbraw/zinc/12/94/51/586129451.db2.gz RUFYXXAHLQFMJB-UHFFFAOYSA-N 1 1 238.762 3.440 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000797591927 586129338 /nfs/dbraw/zinc/12/93/38/586129338.db2.gz XCHBMDXWDBJGEE-UHFFFAOYSA-N 1 1 238.762 3.441 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000797600743 586129266 /nfs/dbraw/zinc/12/92/66/586129266.db2.gz DQHFWUKUXMXTNK-UHFFFAOYSA-N 1 1 224.735 3.051 20 30 BGEDMO C=CC[N@H+](Cc1cc(C)nc(Cl)c1)C1CC1 ZINC000797602968 586129369 /nfs/dbraw/zinc/12/93/69/586129369.db2.gz ZEEKAMYQIPCHQH-UHFFFAOYSA-N 1 1 236.746 3.194 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000797603607 586129281 /nfs/dbraw/zinc/12/92/81/586129281.db2.gz RGEMJORHYSXYKF-UHFFFAOYSA-N 1 1 224.735 3.051 20 30 BGEDMO CON=C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000797787364 586131411 /nfs/dbraw/zinc/13/14/11/586131411.db2.gz NJLZUPJLKPVUPW-UHFFFAOYSA-N 1 1 246.354 3.063 20 30 BGEDMO C=CC[N@H+](Cc1cn(C(C)C)nc1C)C(C)C ZINC000798942654 586154130 /nfs/dbraw/zinc/15/41/30/586154130.db2.gz YOUHFUJCNJAMCT-UHFFFAOYSA-N 1 1 235.375 3.169 20 30 BGEDMO C=CC[N@H+](CCCCC1CCOCC1)C(C)C ZINC000799113462 586157516 /nfs/dbraw/zinc/15/75/16/586157516.db2.gz GSLQSIKLDCQUTC-UHFFFAOYSA-N 1 1 239.403 3.480 20 30 BGEDMO CCCCCCC[N@H+]1CCCO[C@@H](CC)C1 ZINC000799200148 586167983 /nfs/dbraw/zinc/16/79/83/586167983.db2.gz ASTROABFJKRSBS-AWEZNQCLSA-N 1 1 227.392 3.458 20 30 BGEDMO CCCCCCC[N@H+]1CCCO[C@H](CC)C1 ZINC000799200149 586167875 /nfs/dbraw/zinc/16/78/75/586167875.db2.gz ASTROABFJKRSBS-CQSZACIVSA-N 1 1 227.392 3.458 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000799343563 586172959 /nfs/dbraw/zinc/17/29/59/586172959.db2.gz JLUGKZWOWGGWFK-KBPBESRZSA-N 1 1 227.392 3.456 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000799343566 586172011 /nfs/dbraw/zinc/17/20/11/586172011.db2.gz JLUGKZWOWGGWFK-KGLIPLIRSA-N 1 1 227.392 3.456 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000799343568 586171667 /nfs/dbraw/zinc/17/16/67/586171667.db2.gz JLUGKZWOWGGWFK-UONOGXRCSA-N 1 1 227.392 3.456 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000799343569 586171735 /nfs/dbraw/zinc/17/17/35/586171735.db2.gz JLUGKZWOWGGWFK-ZIAGYGMSSA-N 1 1 227.392 3.456 20 30 BGEDMO CCc1cccc(C)c1N=NC1C[C@@H](C)[N@@H+](C)C1 ZINC000799493854 583961983 /nfs/dbraw/zinc/96/19/83/583961983.db2.gz SFEDLGCMBQDIDM-GFCCVEGCSA-N 1 1 245.370 3.049 20 30 BGEDMO CCc1cccc(C)c1N=NC1C[C@H](C)[N@@H+](C)C1 ZINC000799493855 583961637 /nfs/dbraw/zinc/96/16/37/583961637.db2.gz SFEDLGCMBQDIDM-LBPRGKRZSA-N 1 1 245.370 3.049 20 30 BGEDMO C#CC[N@@H+](CC)CCSC1CCCCC1 ZINC000800349091 586213448 /nfs/dbraw/zinc/21/34/48/586213448.db2.gz ZELXCQMESTXTGP-UHFFFAOYSA-N 1 1 225.401 3.007 20 30 BGEDMO C#CC[N@@H+](CCSC1CCCCC1)C1CC1 ZINC000800373272 586214208 /nfs/dbraw/zinc/21/42/08/586214208.db2.gz XTJRWANBMDGKLC-UHFFFAOYSA-N 1 1 237.412 3.150 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)CCSC1CCCCC1 ZINC000800381837 586214576 /nfs/dbraw/zinc/21/45/76/586214576.db2.gz KPEWBGOCRRPKCE-GFCCVEGCSA-N 1 1 225.401 3.006 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)CCSC1CCCCC1 ZINC000800381838 586214407 /nfs/dbraw/zinc/21/44/07/586214407.db2.gz KPEWBGOCRRPKCE-LBPRGKRZSA-N 1 1 225.401 3.006 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000800473380 644834447 /nfs/dbraw/zinc/83/44/47/644834447.db2.gz UMNZDRMWDREPJZ-INIZCTEOSA-N 1 1 245.341 3.279 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000800473381 644835135 /nfs/dbraw/zinc/83/51/35/644835135.db2.gz UMNZDRMWDREPJZ-MRXNPFEDSA-N 1 1 245.341 3.279 20 30 BGEDMO C#CCC[N@@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000800474058 644834338 /nfs/dbraw/zinc/83/43/38/644834338.db2.gz FEYKVDVSMIVBBN-HNNXBMFYSA-N 1 1 249.304 3.028 20 30 BGEDMO C#CCC[N@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000800474058 644834334 /nfs/dbraw/zinc/83/43/34/644834334.db2.gz FEYKVDVSMIVBBN-HNNXBMFYSA-N 1 1 249.304 3.028 20 30 BGEDMO C#CCC[N@@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000800474065 644835233 /nfs/dbraw/zinc/83/52/33/644835233.db2.gz FEYKVDVSMIVBBN-OAHLLOKOSA-N 1 1 249.304 3.028 20 30 BGEDMO C#CCC[N@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000800474065 644835230 /nfs/dbraw/zinc/83/52/30/644835230.db2.gz FEYKVDVSMIVBBN-OAHLLOKOSA-N 1 1 249.304 3.028 20 30 BGEDMO C=CC[N@H+](Cc1cccc(OC)c1F)C(C)C ZINC000800507934 586223424 /nfs/dbraw/zinc/22/34/24/586223424.db2.gz DWPAMSUDNPRTMK-UHFFFAOYSA-N 1 1 237.318 3.231 20 30 BGEDMO C=CC[N@H+](CCSC(C)C)C(C)C ZINC000801511025 586259821 /nfs/dbraw/zinc/25/98/21/586259821.db2.gz MNLHGXNFYFGGDU-UHFFFAOYSA-N 1 1 201.379 3.024 20 30 BGEDMO C=CC[N@@H+](C[C@@H]1CCC2(CCCC2)O1)C(C)C ZINC000801511853 586259672 /nfs/dbraw/zinc/25/96/72/586259672.db2.gz WAZDDHWUPPAQIE-AWEZNQCLSA-N 1 1 237.387 3.375 20 30 BGEDMO C=CC[N@@H+](C[C@H]1CCC2(CCCC2)O1)C(C)C ZINC000801511854 586260141 /nfs/dbraw/zinc/26/01/41/586260141.db2.gz WAZDDHWUPPAQIE-CQSZACIVSA-N 1 1 237.387 3.375 20 30 BGEDMO C#CC[N@H+](CCSC(C)C)C1CCCCC1 ZINC000801514114 586260006 /nfs/dbraw/zinc/26/00/06/586260006.db2.gz PDGBTWJNKCXEDR-UHFFFAOYSA-N 1 1 239.428 3.396 20 30 BGEDMO C#CC[N@H+](CCSC(C)C)C1CCCC1 ZINC000801520971 586260353 /nfs/dbraw/zinc/26/03/53/586260353.db2.gz LKGJWDSTGFFLMD-UHFFFAOYSA-N 1 1 225.401 3.006 20 30 BGEDMO CCCCCCCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801559997 586262822 /nfs/dbraw/zinc/26/28/22/586262822.db2.gz GRZKCRWOOQNQQO-GFCCVEGCSA-N 1 1 249.345 3.313 20 30 BGEDMO CCCCCCCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801559997 586262821 /nfs/dbraw/zinc/26/28/21/586262821.db2.gz GRZKCRWOOQNQQO-GFCCVEGCSA-N 1 1 249.345 3.313 20 30 BGEDMO CCCCCCCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801559998 586262879 /nfs/dbraw/zinc/26/28/79/586262879.db2.gz GRZKCRWOOQNQQO-LBPRGKRZSA-N 1 1 249.345 3.313 20 30 BGEDMO CCCCCCCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801559998 586262878 /nfs/dbraw/zinc/26/28/78/586262878.db2.gz GRZKCRWOOQNQQO-LBPRGKRZSA-N 1 1 249.345 3.313 20 30 BGEDMO CC#CC[N@H+](CCCC)Cc1ccccc1O ZINC000801595295 586265125 /nfs/dbraw/zinc/26/51/25/586265125.db2.gz KZVQBIYYHONEBA-UHFFFAOYSA-N 1 1 231.339 3.018 20 30 BGEDMO C=CC[N@H+](CCCC)Cc1ccccc1O ZINC000801596495 586265743 /nfs/dbraw/zinc/26/57/43/586265743.db2.gz BNIWFNUDBXMOIK-UHFFFAOYSA-N 1 1 219.328 3.180 20 30 BGEDMO C#CCCC[N@H+](CCCC)Cc1ccccc1O ZINC000801596531 586265968 /nfs/dbraw/zinc/26/59/68/586265968.db2.gz DLRUNSPOBKULAF-UHFFFAOYSA-N 1 1 245.366 3.408 20 30 BGEDMO CC#CCC[N@H+](CCCC)Cc1ccccc1O ZINC000801597063 586265954 /nfs/dbraw/zinc/26/59/54/586265954.db2.gz ZIPBGHUESHNHCP-UHFFFAOYSA-N 1 1 245.366 3.408 20 30 BGEDMO C#CCCC[N@H+](C)[C@H](C)C1CCCCC1 ZINC000801600792 586265173 /nfs/dbraw/zinc/26/51/73/586265173.db2.gz OHTCWGWVVSBBAB-CYBMUJFWSA-N 1 1 207.361 3.300 20 30 BGEDMO C#CCCC[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000801601058 586265991 /nfs/dbraw/zinc/26/59/91/586265991.db2.gz RMGRCLKIFNSNSI-UHFFFAOYSA-N 1 1 229.323 3.172 20 30 BGEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000801601765 586265923 /nfs/dbraw/zinc/26/59/23/586265923.db2.gz NRPRAPVTOADOAV-MUJYYYPQSA-N 1 1 225.335 3.030 20 30 BGEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000801601947 586265757 /nfs/dbraw/zinc/26/57/57/586265757.db2.gz RNFHCDTZMQYKFN-BJWYYQGGSA-N 1 1 239.362 3.420 20 30 BGEDMO C=C(C)C[N@@H+](CC)CCSC(C)(C)C ZINC000801911633 644844108 /nfs/dbraw/zinc/84/41/08/644844108.db2.gz PFHNMWQIILNWQS-UHFFFAOYSA-N 1 1 215.406 3.416 20 30 BGEDMO C=CC[N@H+](C[C@H](OC)c1ccccc1)C(C)C ZINC000801912845 644845271 /nfs/dbraw/zinc/84/52/71/644845271.db2.gz GDTDSKFZRUFJEB-HNNXBMFYSA-N 1 1 233.355 3.271 20 30 BGEDMO C=CC[N@H+](C[C@@H](OC)c1ccccc1)C(C)C ZINC000801912846 644844776 /nfs/dbraw/zinc/84/47/76/644844776.db2.gz GDTDSKFZRUFJEB-OAHLLOKOSA-N 1 1 233.355 3.271 20 30 BGEDMO C=CC[N@H+](CCSC(C)(C)C)C(C)C ZINC000801913625 586276336 /nfs/dbraw/zinc/27/63/36/586276336.db2.gz YVFLKLPQYWNSTQ-UHFFFAOYSA-N 1 1 215.406 3.415 20 30 BGEDMO C=CCCC[N@H+](C)CCSC(C)(C)C ZINC000801922914 586277838 /nfs/dbraw/zinc/27/78/38/586277838.db2.gz SRXOLCVHIDFZSZ-UHFFFAOYSA-N 1 1 215.406 3.416 20 30 BGEDMO CC(C)(C)SCC[N@@H+](CCC#N)CC1CC1 ZINC000801924138 644845312 /nfs/dbraw/zinc/84/53/12/644845312.db2.gz JUXYNEPUPPMQSX-UHFFFAOYSA-N 1 1 240.416 3.144 20 30 BGEDMO C#CC[N@H+](CCSC(C)(C)C)C1CCCC1 ZINC000801927676 644847182 /nfs/dbraw/zinc/84/71/82/644847182.db2.gz YJDCELZMTSDCRG-UHFFFAOYSA-N 1 1 239.428 3.396 20 30 BGEDMO C[C@H](C#N)C[N@@H+](CCSC(C)(C)C)C1CC1 ZINC000801935766 586279615 /nfs/dbraw/zinc/27/96/15/586279615.db2.gz DKOBQURHCDMDKI-LLVKDONJSA-N 1 1 240.416 3.142 20 30 BGEDMO C[C@H](C#N)C[N@H+](CCSC(C)(C)C)C1CC1 ZINC000801935766 586279612 /nfs/dbraw/zinc/27/96/12/586279612.db2.gz DKOBQURHCDMDKI-LLVKDONJSA-N 1 1 240.416 3.142 20 30 BGEDMO C[C@@H](C#N)C[N@@H+](CCSC(C)(C)C)C1CC1 ZINC000801935767 586279963 /nfs/dbraw/zinc/27/99/63/586279963.db2.gz DKOBQURHCDMDKI-NSHDSACASA-N 1 1 240.416 3.142 20 30 BGEDMO C[C@@H](C#N)C[N@H+](CCSC(C)(C)C)C1CC1 ZINC000801935767 586279961 /nfs/dbraw/zinc/27/99/61/586279961.db2.gz DKOBQURHCDMDKI-NSHDSACASA-N 1 1 240.416 3.142 20 30 BGEDMO CC(C)(C)SCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000801937803 586279762 /nfs/dbraw/zinc/27/97/62/586279762.db2.gz AJSWCHVADJBXJY-CYBMUJFWSA-N 1 1 240.416 3.144 20 30 BGEDMO CC(C)(C)SCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000801937804 586279855 /nfs/dbraw/zinc/27/98/55/586279855.db2.gz AJSWCHVADJBXJY-ZDUSSCGKSA-N 1 1 240.416 3.144 20 30 BGEDMO C=CC[N@H+](CCSC(C)(C)C)C1CC1 ZINC000801940678 586280471 /nfs/dbraw/zinc/28/04/71/586280471.db2.gz PNGOOLZPRYUKIT-UHFFFAOYSA-N 1 1 213.390 3.169 20 30 BGEDMO C=CCC[N@@H+](C)CCSC(C)(C)C ZINC000801948001 586282290 /nfs/dbraw/zinc/28/22/90/586282290.db2.gz KNNNYQIMVCLJEB-UHFFFAOYSA-N 1 1 201.379 3.026 20 30 BGEDMO CCCCCCCC[N@H+]1CCOCC12CC2 ZINC000801981140 586285419 /nfs/dbraw/zinc/28/54/19/586285419.db2.gz PORKGGUJFJEOEI-UHFFFAOYSA-N 1 1 225.376 3.212 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000801987476 586285033 /nfs/dbraw/zinc/28/50/33/586285033.db2.gz IVCTYOGXEXEFPP-NSHDSACASA-N 1 1 235.318 3.270 20 30 BGEDMO CCCCCCCCC[N@H+]1CC[C@@](F)(CO)C1 ZINC000802014308 586286123 /nfs/dbraw/zinc/28/61/23/586286123.db2.gz PTOWOVRISYSPMS-AWEZNQCLSA-N 1 1 245.382 3.143 20 30 BGEDMO CCCCCCCCC[N@H+]1CC[C@](F)(CO)C1 ZINC000802014311 586286105 /nfs/dbraw/zinc/28/61/05/586286105.db2.gz PTOWOVRISYSPMS-CQSZACIVSA-N 1 1 245.382 3.143 20 30 BGEDMO C=CC[N@H+](Cc1c(C)cc(C)nc1OC)C(C)C ZINC000805731407 585824215 /nfs/dbraw/zinc/82/42/15/585824215.db2.gz DWBUJFSFROZXQR-UHFFFAOYSA-N 1 1 248.370 3.103 20 30 BGEDMO C#CCCC[N@H+](C)[C@@H](CC)c1ccccc1OC ZINC000805835582 585908989 /nfs/dbraw/zinc/90/89/89/585908989.db2.gz OTRYJIOTUALUHN-HNNXBMFYSA-N 1 1 245.366 3.492 20 30 BGEDMO C#CCCC[N@H+](C)[C@H](CC)c1ccccc1OC ZINC000805835585 585908891 /nfs/dbraw/zinc/90/88/91/585908891.db2.gz OTRYJIOTUALUHN-OAHLLOKOSA-N 1 1 245.366 3.492 20 30 BGEDMO C#CCC[N@H+](C)[C@@H](CC)c1ccccc1OC ZINC000805835971 585909287 /nfs/dbraw/zinc/90/92/87/585909287.db2.gz XWBULJSGRKHCDF-AWEZNQCLSA-N 1 1 231.339 3.101 20 30 BGEDMO C#CCC[N@H+](C)[C@H](CC)c1ccccc1OC ZINC000805835972 585909334 /nfs/dbraw/zinc/90/93/34/585909334.db2.gz XWBULJSGRKHCDF-CQSZACIVSA-N 1 1 231.339 3.101 20 30 BGEDMO C#CCC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000805839805 585909833 /nfs/dbraw/zinc/90/98/33/585909833.db2.gz SWZDRVLVIQRHSD-CHWSQXEVSA-N 1 1 207.361 3.156 20 30 BGEDMO C#CCC[N@@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000805839808 585909888 /nfs/dbraw/zinc/90/98/88/585909888.db2.gz SWZDRVLVIQRHSD-OLZOCXBDSA-N 1 1 207.361 3.156 20 30 BGEDMO C#CCC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000805839809 585909883 /nfs/dbraw/zinc/90/98/83/585909883.db2.gz SWZDRVLVIQRHSD-QWHCGFSZSA-N 1 1 207.361 3.156 20 30 BGEDMO C#CCC[N@@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000805839810 585909800 /nfs/dbraw/zinc/90/98/00/585909800.db2.gz SWZDRVLVIQRHSD-STQMWFEESA-N 1 1 207.361 3.156 20 30 BGEDMO C=C(Cl)C[N@H+](C)C1CCC(F)(F)CC1 ZINC000805840578 585910272 /nfs/dbraw/zinc/91/02/72/585910272.db2.gz SVUGVHDBCCZPNE-UHFFFAOYSA-N 1 1 223.694 3.249 20 30 BGEDMO COCC(C)(C)CCC/[NH+]=C/c1ccccc1O ZINC000806551917 586413813 /nfs/dbraw/zinc/41/38/13/586413813.db2.gz YYOSWRYTEVOAAQ-LFIBNONCSA-N 1 1 249.354 3.264 20 30 BGEDMO C=CC[N@H+](C/C=C\Cl)Cc1cccs1 ZINC000807276733 586431875 /nfs/dbraw/zinc/43/18/75/586431875.db2.gz LOXVQPNJFVLKCC-XQRVVYSFSA-N 1 1 227.760 3.489 20 30 BGEDMO C=CC[N@@H+](C/C=C\Cl)Cc1cccs1 ZINC000807276733 586431874 /nfs/dbraw/zinc/43/18/74/586431874.db2.gz LOXVQPNJFVLKCC-XQRVVYSFSA-N 1 1 227.760 3.489 20 30 BGEDMO C=CC[N@H+](CCC(=O)C(C)C)Cc1ccccc1 ZINC000808706890 586483092 /nfs/dbraw/zinc/48/30/92/586483092.db2.gz AJQMLELWTCNATB-UHFFFAOYSA-N 1 1 245.366 3.290 20 30 BGEDMO C=CC[N@H+](CC[C@H](O)c1ccccc1)C(C)C ZINC000808709556 586483368 /nfs/dbraw/zinc/48/33/68/586483368.db2.gz CSYZTUFECTWQFD-HNNXBMFYSA-N 1 1 233.355 3.007 20 30 BGEDMO C=CCCCCC[N@H+](C)CCC(=O)C(C)C ZINC000808727502 586485205 /nfs/dbraw/zinc/48/52/05/586485205.db2.gz GLHZVGHEYQYUFH-UHFFFAOYSA-N 1 1 225.376 3.280 20 30 BGEDMO C=CCCC[N@H+](C)CC[C@H](O)c1ccccc1 ZINC000808728349 586485080 /nfs/dbraw/zinc/48/50/80/586485080.db2.gz OCTPPQACIDZDEY-HNNXBMFYSA-N 1 1 233.355 3.008 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000808754289 586488082 /nfs/dbraw/zinc/48/80/82/586488082.db2.gz NPWJYAKHFOGGOA-CVEARBPZSA-N 1 1 245.366 3.151 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000808754292 586488549 /nfs/dbraw/zinc/48/85/49/586488549.db2.gz NPWJYAKHFOGGOA-HOTGVXAUSA-N 1 1 245.366 3.151 20 30 BGEDMO C#CCCC[N@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000808760957 586489004 /nfs/dbraw/zinc/48/90/04/586489004.db2.gz FUHICEKSYNOYRW-INIZCTEOSA-N 1 1 245.366 3.492 20 30 BGEDMO C#CCCC[N@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000808760958 586488932 /nfs/dbraw/zinc/48/89/32/586488932.db2.gz FUHICEKSYNOYRW-MRXNPFEDSA-N 1 1 245.366 3.492 20 30 BGEDMO C#CCC[N@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000808761478 586489121 /nfs/dbraw/zinc/48/91/21/586489121.db2.gz NNJKIDQQMFCJLZ-HNNXBMFYSA-N 1 1 231.339 3.101 20 30 BGEDMO C#CCC[N@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000808761479 586488657 /nfs/dbraw/zinc/48/86/57/586488657.db2.gz NNJKIDQQMFCJLZ-OAHLLOKOSA-N 1 1 231.339 3.101 20 30 BGEDMO C#CCCC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000808791245 586490158 /nfs/dbraw/zinc/49/01/58/586490158.db2.gz OPLSESXIILTAQF-UHFFFAOYSA-N 1 1 243.350 3.073 20 30 BGEDMO C#CCCC[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000808792573 586490365 /nfs/dbraw/zinc/49/03/65/586490365.db2.gz KZKQFKLSWPJBTF-TXEJJXNPSA-N 1 1 247.304 3.453 20 30 BGEDMO C#CCC[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000808793511 586490240 /nfs/dbraw/zinc/49/02/40/586490240.db2.gz IMUYNRJOKXRWHS-PHIMTYICSA-N 1 1 233.277 3.063 20 30 BGEDMO C#CCC[N@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000808794608 586490254 /nfs/dbraw/zinc/49/02/54/586490254.db2.gz BYVOQDVYJIYKDW-UHFFFAOYSA-N 1 1 245.366 3.319 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@@](CO)(CCC)C1 ZINC000808796441 586490362 /nfs/dbraw/zinc/49/03/62/586490362.db2.gz LTKHXEZDOHABMG-HNNXBMFYSA-N 1 1 241.419 3.441 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@](CO)(CCC)C1 ZINC000808796442 586490464 /nfs/dbraw/zinc/49/04/64/586490464.db2.gz LTKHXEZDOHABMG-OAHLLOKOSA-N 1 1 241.419 3.441 20 30 BGEDMO C#Cc1ccc(C[N@H+](C)C2CCCCC2)cc1 ZINC000809537580 586506482 /nfs/dbraw/zinc/50/64/82/586506482.db2.gz OPQQQJKRLZEQSY-UHFFFAOYSA-N 1 1 227.351 3.432 20 30 BGEDMO C#Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000809537764 586506456 /nfs/dbraw/zinc/50/64/56/586506456.db2.gz RDHDTPDLNAMIGF-OKILXGFUSA-N 1 1 227.351 3.146 20 30 BGEDMO C[N@H+](CCC#N)CCCC1CCCCC1 ZINC000809537974 586506191 /nfs/dbraw/zinc/50/61/91/586506191.db2.gz UNEIZFNPPZUFBT-UHFFFAOYSA-N 1 1 208.349 3.192 20 30 BGEDMO C#Cc1ccc(C[N@H+](CC)CCCC)cc1 ZINC000809538146 586506341 /nfs/dbraw/zinc/50/63/41/586506341.db2.gz HTWSBBCUFRVNKY-UHFFFAOYSA-N 1 1 215.340 3.290 20 30 BGEDMO C#Cc1ccc(C[N@@H+](C)Cc2cccs2)cc1 ZINC000809538258 586506280 /nfs/dbraw/zinc/50/62/80/586506280.db2.gz LSKUAYZZUKDSQG-UHFFFAOYSA-N 1 1 241.359 3.361 20 30 BGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC000809538327 586506316 /nfs/dbraw/zinc/50/63/16/586506316.db2.gz YHKFYVSEHRIAFS-INIZCTEOSA-N 1 1 227.351 3.432 20 30 BGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2CC)cc1 ZINC000809538328 586506268 /nfs/dbraw/zinc/50/62/68/586506268.db2.gz YHKFYVSEHRIAFS-MRXNPFEDSA-N 1 1 227.351 3.432 20 30 BGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000809538519 586506477 /nfs/dbraw/zinc/50/64/77/586506477.db2.gz OQCMQTZMVMJRGR-CYBMUJFWSA-N 1 1 213.324 3.042 20 30 BGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000809538520 586506304 /nfs/dbraw/zinc/50/63/04/586506304.db2.gz OQCMQTZMVMJRGR-ZDUSSCGKSA-N 1 1 213.324 3.042 20 30 BGEDMO C#Cc1ccc(C[N@@H+](CC)CC(=C)C)cc1 ZINC000809538716 644889730 /nfs/dbraw/zinc/88/97/30/644889730.db2.gz RWZAOPUMSIIMIE-UHFFFAOYSA-N 1 1 213.324 3.066 20 30 BGEDMO C#Cc1ccc(C[N@@H+](C)Cc2ccsc2)cc1 ZINC000809540209 644889311 /nfs/dbraw/zinc/88/93/11/644889311.db2.gz NIGLOUHSGWNMAM-UHFFFAOYSA-N 1 1 241.359 3.361 20 30 BGEDMO C#Cc1ccc(C[N@H+](C)C2CCCC2)cc1 ZINC000809540632 644889693 /nfs/dbraw/zinc/88/96/93/644889693.db2.gz DWJXNQYAZCWQEI-UHFFFAOYSA-N 1 1 213.324 3.042 20 30 BGEDMO C#Cc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1 ZINC000809542135 644889349 /nfs/dbraw/zinc/88/93/49/644889349.db2.gz UQIUXZZVTVQHRN-UHFFFAOYSA-N 1 1 239.318 3.201 20 30 BGEDMO C#Cc1ccc(C[N@H+](CCCC)C2CC2)cc1 ZINC000809545313 644890375 /nfs/dbraw/zinc/89/03/75/644890375.db2.gz BBTYCXZBOKWQRV-UHFFFAOYSA-N 1 1 227.351 3.432 20 30 BGEDMO C#Cc1ccc(C[N@H+](CCC)C2CC2)cc1 ZINC000809545374 586506700 /nfs/dbraw/zinc/50/67/00/586506700.db2.gz BYVKMEHHBXQWHU-UHFFFAOYSA-N 1 1 213.324 3.042 20 30 BGEDMO C#Cc1ccc(C[N@H+](C)[C@H](C)C(C)C)cc1 ZINC000809545507 586506564 /nfs/dbraw/zinc/50/65/64/586506564.db2.gz DVGDMILHNLVYNX-CYBMUJFWSA-N 1 1 215.340 3.144 20 30 BGEDMO C#Cc1ccc(C[N@H+](C)[C@@H](C)C(C)C)cc1 ZINC000809545510 586506576 /nfs/dbraw/zinc/50/65/76/586506576.db2.gz DVGDMILHNLVYNX-ZDUSSCGKSA-N 1 1 215.340 3.144 20 30 BGEDMO C#Cc1ccc(C[N@H+](CC)C2CCCC2)cc1 ZINC000809545715 586506589 /nfs/dbraw/zinc/50/65/89/586506589.db2.gz PMPCBQUKNCKDTD-UHFFFAOYSA-N 1 1 227.351 3.432 20 30 BGEDMO C#Cc1ccc(C[N@@H+](CC)CC(C)C)cc1 ZINC000809545937 586506606 /nfs/dbraw/zinc/50/66/06/586506606.db2.gz UHOZCBVTZQAQNZ-UHFFFAOYSA-N 1 1 215.340 3.146 20 30 BGEDMO C#Cc1ccc(C[N@H+](C)[C@H](C)c2ccco2)cc1 ZINC000809545976 586506578 /nfs/dbraw/zinc/50/65/78/586506578.db2.gz LFCAQQAVDSTRRD-CYBMUJFWSA-N 1 1 239.318 3.454 20 30 BGEDMO C#Cc1ccc(C[N@H+](C)[C@@H](C)c2ccco2)cc1 ZINC000809545977 586506677 /nfs/dbraw/zinc/50/66/77/586506677.db2.gz LFCAQQAVDSTRRD-ZDUSSCGKSA-N 1 1 239.318 3.454 20 30 BGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2C(C)C)cc1 ZINC000809546110 586506609 /nfs/dbraw/zinc/50/66/09/586506609.db2.gz XARHASYNFQAEJK-INIZCTEOSA-N 1 1 227.351 3.288 20 30 BGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(C)C)cc1 ZINC000809546111 586506603 /nfs/dbraw/zinc/50/66/03/586506603.db2.gz XARHASYNFQAEJK-MRXNPFEDSA-N 1 1 227.351 3.288 20 30 BGEDMO C#Cc1ccc(C[N@H+](C)[C@H](C)CCC)cc1 ZINC000809546250 586506473 /nfs/dbraw/zinc/50/64/73/586506473.db2.gz ZRVGKXGOCUZIAN-CYBMUJFWSA-N 1 1 215.340 3.288 20 30 BGEDMO C#Cc1ccc(C[N@H+](C)[C@@H](C)CCC)cc1 ZINC000809546251 586506399 /nfs/dbraw/zinc/50/63/99/586506399.db2.gz ZRVGKXGOCUZIAN-ZDUSSCGKSA-N 1 1 215.340 3.288 20 30 BGEDMO C#Cc1ccc(C[N@H+](C)CCC(C)C)cc1 ZINC000809546820 586506584 /nfs/dbraw/zinc/50/65/84/586506584.db2.gz YLHSFKIRSBVTMJ-UHFFFAOYSA-N 1 1 215.340 3.146 20 30 BGEDMO C#Cc1ccc(C[N@H+]([C@H](C)C2CC2)C2CC2)cc1 ZINC000809547180 586506566 /nfs/dbraw/zinc/50/65/66/586506566.db2.gz MLGIUVJRBHQFNL-CYBMUJFWSA-N 1 1 239.362 3.431 20 30 BGEDMO C#Cc1ccc(C[N@H+]([C@@H](C)C2CC2)C2CC2)cc1 ZINC000809547182 586506596 /nfs/dbraw/zinc/50/65/96/586506596.db2.gz MLGIUVJRBHQFNL-ZDUSSCGKSA-N 1 1 239.362 3.431 20 30 BGEDMO C=CC[N@H+](CCCc1cnccc1C)C(C)C ZINC000809547222 586506553 /nfs/dbraw/zinc/50/65/53/586506553.db2.gz NBIJHQGJTFULPI-UHFFFAOYSA-N 1 1 232.371 3.219 20 30 BGEDMO C#Cc1ccc(C[N@H+](CC=C)C(C)C)cc1 ZINC000809547909 586506629 /nfs/dbraw/zinc/50/66/29/586506629.db2.gz XCDFBVBHNYEMDJ-UHFFFAOYSA-N 1 1 213.324 3.064 20 30 BGEDMO C#Cc1ccc(C[N@H+](CC(C)C)C2CC2)cc1 ZINC000809547984 586506683 /nfs/dbraw/zinc/50/66/83/586506683.db2.gz YEBITNYFJHOYLX-UHFFFAOYSA-N 1 1 227.351 3.288 20 30 BGEDMO C#Cc1ccc(C[N@H+](C(C)C)C2CC2)cc1 ZINC000809548046 586506719 /nfs/dbraw/zinc/50/67/19/586506719.db2.gz ZNWXZFIDCPEAHO-UHFFFAOYSA-N 1 1 213.324 3.041 20 30 BGEDMO C#Cc1ccc(C[N@H+](C)C[C@H](C)CC)cc1 ZINC000809548371 712584538 /nfs/dbraw/zinc/58/45/38/712584538.db2.gz JKHHFMMBWHQQFE-CYBMUJFWSA-N 1 1 215.340 3.146 20 30 BGEDMO C#Cc1ccc(C[N@H+](C)C[C@@H](C)CC)cc1 ZINC000809548373 712584466 /nfs/dbraw/zinc/58/44/66/712584466.db2.gz JKHHFMMBWHQQFE-ZDUSSCGKSA-N 1 1 215.340 3.146 20 30 BGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](CC)C2)cc1 ZINC000809548796 712584385 /nfs/dbraw/zinc/58/43/85/712584385.db2.gz JLXRYTDWJCMCRL-HNNXBMFYSA-N 1 1 227.351 3.290 20 30 BGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](CC)C2)cc1 ZINC000809548798 712584227 /nfs/dbraw/zinc/58/42/27/712584227.db2.gz JLXRYTDWJCMCRL-OAHLLOKOSA-N 1 1 227.351 3.290 20 30 BGEDMO C#Cc1ccc(C[N@H+](CC2CC2)C(C)C)cc1 ZINC000809549377 712584369 /nfs/dbraw/zinc/58/43/69/712584369.db2.gz WCDOBIZFFYZVAD-UHFFFAOYSA-N 1 1 227.351 3.288 20 30 BGEDMO C#Cc1ccc(C[N@@H+]2CCCC(C)(C)C2)cc1 ZINC000809549804 586506242 /nfs/dbraw/zinc/50/62/42/586506242.db2.gz NAHQCNVRYHYIHX-UHFFFAOYSA-N 1 1 227.351 3.290 20 30 BGEDMO C#Cc1ccc(C[N@H+](C)CC(C)(C)C)cc1 ZINC000809550012 712584215 /nfs/dbraw/zinc/58/42/15/712584215.db2.gz BREDZOJPVZGLKB-UHFFFAOYSA-N 1 1 215.340 3.146 20 30 BGEDMO C#Cc1ccc(C[N@@H+](C)Cc2ccoc2C)cc1 ZINC000809552397 712584585 /nfs/dbraw/zinc/58/45/85/712584585.db2.gz SVEUYXJJWWQBIG-UHFFFAOYSA-N 1 1 239.318 3.201 20 30 BGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000809553103 712584441 /nfs/dbraw/zinc/58/44/41/712584441.db2.gz XDFRBCZGHLIQLM-DLBZAZTESA-N 1 1 239.362 3.432 20 30 BGEDMO 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1 235.375 3.100 20 30 BGEDMO CCCCCCCC[N@@H+](CC)[C@H]1CCOC1 ZINC000812878254 586588296 /nfs/dbraw/zinc/58/82/96/586588296.db2.gz UNYSEBATZOLQOF-AWEZNQCLSA-N 1 1 227.392 3.458 20 30 BGEDMO CCCCCCCC[N@@H+](CC)[C@@H]1CCOC1 ZINC000812878255 586588009 /nfs/dbraw/zinc/58/80/09/586588009.db2.gz UNYSEBATZOLQOF-CQSZACIVSA-N 1 1 227.392 3.458 20 30 BGEDMO CCCCCCC[N@@H+](CC)[C@@H]1CCOC1 ZINC000812878620 586588110 /nfs/dbraw/zinc/58/81/10/586588110.db2.gz FGVFCGYEPLUALP-CYBMUJFWSA-N 1 1 213.365 3.068 20 30 BGEDMO CCCCCCC[N@@H+](CC)[C@H]1CCOC1 ZINC000812878621 586588207 /nfs/dbraw/zinc/58/82/07/586588207.db2.gz FGVFCGYEPLUALP-ZDUSSCGKSA-N 1 1 213.365 3.068 20 30 BGEDMO C#CCCC[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812881841 644934825 /nfs/dbraw/zinc/93/48/25/644934825.db2.gz DLHRVNCPZXRJQN-NEPJUHHUSA-N 1 1 247.304 3.453 20 30 BGEDMO C#CCC[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812882922 586587960 /nfs/dbraw/zinc/58/79/60/586587960.db2.gz WKFWNQXNWOCXPJ-MNOVXSKESA-N 1 1 233.277 3.063 20 30 BGEDMO 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20 30 BGEDMO C=CCOc1cccc(C[N@@H+]2C[C@H](C)[C@H]2C)c1 ZINC000816647926 586750426 /nfs/dbraw/zinc/75/04/26/586750426.db2.gz AJZQMTUTTGJLDW-QWHCGFSZSA-N 1 1 231.339 3.092 20 30 BGEDMO C=CCOc1cccc(C[N@@H+]2C[C@H](C)[C@@H]2C)c1 ZINC000816647927 586749898 /nfs/dbraw/zinc/74/98/98/586749898.db2.gz AJZQMTUTTGJLDW-STQMWFEESA-N 1 1 231.339 3.092 20 30 BGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2C)cc1 ZINC000816648743 586751200 /nfs/dbraw/zinc/75/12/00/586751200.db2.gz OLMPQPDBVSZIJV-CHWSQXEVSA-N 1 1 231.339 3.092 20 30 BGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cc1 ZINC000816648744 586751376 /nfs/dbraw/zinc/75/13/76/586751376.db2.gz OLMPQPDBVSZIJV-OLZOCXBDSA-N 1 1 231.339 3.092 20 30 BGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H]2C)cc1 ZINC000816648745 586751350 /nfs/dbraw/zinc/75/13/50/586751350.db2.gz OLMPQPDBVSZIJV-QWHCGFSZSA-N 1 1 231.339 3.092 20 30 BGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)[C@@H]2C)cc1 ZINC000816648746 586751437 /nfs/dbraw/zinc/75/14/37/586751437.db2.gz OLMPQPDBVSZIJV-STQMWFEESA-N 1 1 231.339 3.092 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000817276367 586792715 /nfs/dbraw/zinc/79/27/15/586792715.db2.gz BDMJDSITELETRE-INIZCTEOSA-N 1 1 245.341 3.246 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000817276368 586792490 /nfs/dbraw/zinc/79/24/90/586792490.db2.gz BDMJDSITELETRE-MRXNPFEDSA-N 1 1 245.341 3.246 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817281806 644968884 /nfs/dbraw/zinc/96/88/84/644968884.db2.gz PPCRMQVWYFOQPM-LLVKDONJSA-N 1 1 233.277 3.064 20 30 BGEDMO C#CCCC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817281807 644969392 /nfs/dbraw/zinc/96/93/92/644969392.db2.gz PPCRMQVWYFOQPM-NSHDSACASA-N 1 1 233.277 3.064 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817282236 644969623 /nfs/dbraw/zinc/96/96/23/644969623.db2.gz XDXSCQNYLZOIGB-SECBINFHSA-N 1 1 241.684 3.403 20 30 BGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817282236 644969620 /nfs/dbraw/zinc/96/96/20/644969620.db2.gz XDXSCQNYLZOIGB-SECBINFHSA-N 1 1 241.684 3.403 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817282237 644969267 /nfs/dbraw/zinc/96/92/67/644969267.db2.gz XDXSCQNYLZOIGB-VIFPVBQESA-N 1 1 241.684 3.403 20 30 BGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817282237 644969264 /nfs/dbraw/zinc/96/92/64/644969264.db2.gz XDXSCQNYLZOIGB-VIFPVBQESA-N 1 1 241.684 3.403 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@H](O)CC12CCC2 ZINC000817290424 586793276 /nfs/dbraw/zinc/79/32/76/586793276.db2.gz ITUPFTKBIAASMB-AWEZNQCLSA-N 1 1 239.403 3.336 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000817290431 586793336 /nfs/dbraw/zinc/79/33/36/586793336.db2.gz ITUPFTKBIAASMB-CQSZACIVSA-N 1 1 239.403 3.336 20 30 BGEDMO C#CCC[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000817297195 586792882 /nfs/dbraw/zinc/79/28/82/586792882.db2.gz OSHVWYOTQIZFPD-HNNXBMFYSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CCC[N@@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000817297202 586793010 /nfs/dbraw/zinc/79/30/10/586793010.db2.gz OSHVWYOTQIZFPD-OAHLLOKOSA-N 1 1 227.351 3.278 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000817410622 586801313 /nfs/dbraw/zinc/80/13/13/586801313.db2.gz QXPKQIDTNQYNFU-GFCCVEGCSA-N 1 1 213.324 3.018 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000817410623 586801357 /nfs/dbraw/zinc/80/13/57/586801357.db2.gz QXPKQIDTNQYNFU-LBPRGKRZSA-N 1 1 213.324 3.018 20 30 BGEDMO CCCCCCCCN1CCC2(CC[NH2+]2)CC1 ZINC000817879612 586832423 /nfs/dbraw/zinc/83/24/23/586832423.db2.gz DFKYUBDEGXGIQA-UHFFFAOYSA-N 1 1 238.419 3.175 20 30 BGEDMO CCCCCCCCC[NH2+][C@H]1CCC[C@@H]1N ZINC000817897061 586834896 /nfs/dbraw/zinc/83/48/96/586834896.db2.gz CTEUOKTYGDJNIV-KBPBESRZSA-N 1 1 226.408 3.206 20 30 BGEDMO CCCCCCCCC[NH2+][C@H]1CCC[C@H]1N ZINC000817897062 586834552 /nfs/dbraw/zinc/83/45/52/586834552.db2.gz CTEUOKTYGDJNIV-KGLIPLIRSA-N 1 1 226.408 3.206 20 30 BGEDMO CCCCCCCCC[NH2+][C@@H]1CCC[C@@H]1N ZINC000817897063 586835354 /nfs/dbraw/zinc/83/53/54/586835354.db2.gz CTEUOKTYGDJNIV-UONOGXRCSA-N 1 1 226.408 3.206 20 30 BGEDMO CCCCCCCCC[NH2+][C@@H]1CCC[C@H]1N ZINC000817897064 586835061 /nfs/dbraw/zinc/83/50/61/586835061.db2.gz CTEUOKTYGDJNIV-ZIAGYGMSSA-N 1 1 226.408 3.206 20 30 BGEDMO C=CCCCCCCCC[NH2+][C@H]1CCC[C@H]1N ZINC000817930618 586841882 /nfs/dbraw/zinc/84/18/82/586841882.db2.gz DVTAVZPIQXVZEC-CABCVRRESA-N 1 1 238.419 3.373 20 30 BGEDMO C=CCCCCCCCC[NH2+][C@H]1CCC[C@@H]1N ZINC000817930619 586842054 /nfs/dbraw/zinc/84/20/54/586842054.db2.gz DVTAVZPIQXVZEC-GJZGRUSLSA-N 1 1 238.419 3.373 20 30 BGEDMO C=CCCCCCCCC[NH2+][C@@H]1CCC[C@H]1N ZINC000817930620 586842070 /nfs/dbraw/zinc/84/20/70/586842070.db2.gz DVTAVZPIQXVZEC-HUUCEWRRSA-N 1 1 238.419 3.373 20 30 BGEDMO C=CCCCCCCCC[NH2+][C@@H]1CCC[C@@H]1N ZINC000817930621 586842020 /nfs/dbraw/zinc/84/20/20/586842020.db2.gz DVTAVZPIQXVZEC-LSDHHAIUSA-N 1 1 238.419 3.373 20 30 BGEDMO C=CCCCCCC[NH2+][C@H]1CCCCC[C@H]1N ZINC000817932557 586843635 /nfs/dbraw/zinc/84/36/35/586843635.db2.gz TWSJBTRXUJJYLX-CABCVRRESA-N 1 1 238.419 3.373 20 30 BGEDMO C=CCCCCCC[NH2+][C@H]1CCCCC[C@@H]1N ZINC000817932558 586843219 /nfs/dbraw/zinc/84/32/19/586843219.db2.gz TWSJBTRXUJJYLX-GJZGRUSLSA-N 1 1 238.419 3.373 20 30 BGEDMO C=CCCCCCC[NH2+][C@@H]1CCCCC[C@H]1N ZINC000817932560 586843237 /nfs/dbraw/zinc/84/32/37/586843237.db2.gz TWSJBTRXUJJYLX-HUUCEWRRSA-N 1 1 238.419 3.373 20 30 BGEDMO C=CCCCCCC[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000817932561 586842935 /nfs/dbraw/zinc/84/29/35/586842935.db2.gz TWSJBTRXUJJYLX-LSDHHAIUSA-N 1 1 238.419 3.373 20 30 BGEDMO C=CCCCCC[C@H](C)[NH2+]C[C@H](N)C(C)C ZINC000817959543 586851396 /nfs/dbraw/zinc/85/13/96/586851396.db2.gz SSKFQJQFQDLCFH-KBPBESRZSA-N 1 1 226.408 3.084 20 30 BGEDMO C=CCCCCC[C@@H](C)[NH2+]C[C@H](N)C(C)C ZINC000817959545 586851528 /nfs/dbraw/zinc/85/15/28/586851528.db2.gz SSKFQJQFQDLCFH-KGLIPLIRSA-N 1 1 226.408 3.084 20 30 BGEDMO C=CCCCCC[C@H](C)[NH2+]C[C@@H](N)C(C)C ZINC000817959546 586851342 /nfs/dbraw/zinc/85/13/42/586851342.db2.gz SSKFQJQFQDLCFH-UONOGXRCSA-N 1 1 226.408 3.084 20 30 BGEDMO C=CCCCCC[C@@H](C)[NH2+]C[C@@H](N)C(C)C ZINC000817959548 586852020 /nfs/dbraw/zinc/85/20/20/586852020.db2.gz SSKFQJQFQDLCFH-ZIAGYGMSSA-N 1 1 226.408 3.084 20 30 BGEDMO CCCCCCCC[NH2+][C@@H]1CCCC[C@H]1N ZINC000818340187 586887528 /nfs/dbraw/zinc/88/75/28/586887528.db2.gz JMMNJKZKQIRMFH-ZIAGYGMSSA-N 1 1 226.408 3.206 20 30 BGEDMO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000818614951 586906385 /nfs/dbraw/zinc/90/63/85/586906385.db2.gz JQXRDTLZUVGQNH-RBSFLKMASA-N 1 1 238.419 3.371 20 30 BGEDMO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000818614952 586906974 /nfs/dbraw/zinc/90/69/74/586906974.db2.gz JQXRDTLZUVGQNH-RRFJBIMHSA-N 1 1 238.419 3.371 20 30 BGEDMO CC1CC[NH+](c2ccc(NCCC#N)cc2)CC1 ZINC000819394960 586960761 /nfs/dbraw/zinc/96/07/61/586960761.db2.gz HAIBHMFMGZAVIK-UHFFFAOYSA-N 1 1 243.354 3.248 20 30 BGEDMO CC[N@H+](c1ccc(NCCC#N)cc1)C(C)C ZINC000819396766 586961296 /nfs/dbraw/zinc/96/12/96/586961296.db2.gz BJSPYLONCPJFHD-UHFFFAOYSA-N 1 1 231.343 3.247 20 30 BGEDMO CCCC[N@@H+](C)c1ccc(NCCC#N)cc1 ZINC000819437267 586964136 /nfs/dbraw/zinc/96/41/36/586964136.db2.gz IVHRDVBWBUGQIX-UHFFFAOYSA-N 1 1 231.343 3.248 20 30 BGEDMO CCCC[N@H+](C)c1ccc(NCCC#N)cc1 ZINC000819437267 586964135 /nfs/dbraw/zinc/96/41/35/586964135.db2.gz IVHRDVBWBUGQIX-UHFFFAOYSA-N 1 1 231.343 3.248 20 30 BGEDMO C=C(C)C[N@@H+](CC)CC[C@H]1CC1(Cl)Cl ZINC000822574932 587175950 /nfs/dbraw/zinc/17/59/50/587175950.db2.gz IOGAOVYICQRMDA-JTQLQIEISA-N 1 1 236.186 3.468 20 30 BGEDMO C=C(C)C[N@@H+](CC)CC[C@@H]1CC1(Cl)Cl ZINC000822574934 587176199 /nfs/dbraw/zinc/17/61/99/587176199.db2.gz IOGAOVYICQRMDA-SNVBAGLBSA-N 1 1 236.186 3.468 20 30 BGEDMO C=CC[N@H+](CC[C@H]1CC1(Cl)Cl)C(C)C ZINC000822583939 587176449 /nfs/dbraw/zinc/17/64/49/587176449.db2.gz XFEDBMNDQATVKO-JTQLQIEISA-N 1 1 236.186 3.467 20 30 BGEDMO C=CC[N@H+](CC[C@@H]1CC1(Cl)Cl)C(C)C ZINC000822583940 587176427 /nfs/dbraw/zinc/17/64/27/587176427.db2.gz XFEDBMNDQATVKO-SNVBAGLBSA-N 1 1 236.186 3.467 20 30 BGEDMO CC[N@@H+](CC[C@@H]1CC1(Cl)Cl)C[C@H](C)C#N ZINC000822598768 587177243 /nfs/dbraw/zinc/17/72/43/587177243.db2.gz VVNNEKGMACCBAD-NXEZZACHSA-N 1 1 249.185 3.052 20 30 BGEDMO CC[N@@H+](CC[C@H]1CC1(Cl)Cl)C[C@@H](C)C#N ZINC000822598769 587176929 /nfs/dbraw/zinc/17/69/29/587176929.db2.gz VVNNEKGMACCBAD-UWVGGRQHSA-N 1 1 249.185 3.052 20 30 BGEDMO CC[N@@H+](CC[C@@H]1CC1(Cl)Cl)C[C@@H](C)C#N ZINC000822598770 587176888 /nfs/dbraw/zinc/17/68/88/587176888.db2.gz VVNNEKGMACCBAD-VHSXEESVSA-N 1 1 249.185 3.052 20 30 BGEDMO CC[N@@H+](CC[C@H]1CC1(Cl)Cl)C[C@H](C)C#N ZINC000822598771 587177101 /nfs/dbraw/zinc/17/71/01/587177101.db2.gz VVNNEKGMACCBAD-ZJUUUORDSA-N 1 1 249.185 3.052 20 30 BGEDMO C=CCCC[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000822628646 587178525 /nfs/dbraw/zinc/17/85/25/587178525.db2.gz ZAPKXQGVTBIBEY-JTQLQIEISA-N 1 1 236.186 3.468 20 30 BGEDMO C=CCCC[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000822628647 587178523 /nfs/dbraw/zinc/17/85/23/587178523.db2.gz ZAPKXQGVTBIBEY-SNVBAGLBSA-N 1 1 236.186 3.468 20 30 BGEDMO C=CC[N@H+](CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000822807611 587186888 /nfs/dbraw/zinc/18/68/88/587186888.db2.gz AZPHCZQOLAFIQY-SECBINFHSA-N 1 1 234.170 3.221 20 30 BGEDMO C=CC[N@H+](CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000822807612 587187275 /nfs/dbraw/zinc/18/72/75/587187275.db2.gz AZPHCZQOLAFIQY-VIFPVBQESA-N 1 1 234.170 3.221 20 30 BGEDMO C=C(C)C[N@@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000822828322 587188216 /nfs/dbraw/zinc/18/82/16/587188216.db2.gz ZZDMPCDJXCREJA-SECBINFHSA-N 1 1 222.159 3.078 20 30 BGEDMO C=C(C)C[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000822828323 587188158 /nfs/dbraw/zinc/18/81/58/587188158.db2.gz ZZDMPCDJXCREJA-VIFPVBQESA-N 1 1 222.159 3.078 20 30 BGEDMO C=CCC[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000822951344 587195283 /nfs/dbraw/zinc/19/52/83/587195283.db2.gz QLWDWMJGWITMPY-SECBINFHSA-N 1 1 222.159 3.078 20 30 BGEDMO C=CCC[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000822951345 587195399 /nfs/dbraw/zinc/19/53/99/587195399.db2.gz QLWDWMJGWITMPY-VIFPVBQESA-N 1 1 222.159 3.078 20 30 BGEDMO CCCCCCC[N@H+]1Cc2cccnc2C1 ZINC000823006435 587197536 /nfs/dbraw/zinc/19/75/36/587197536.db2.gz INGPDKZDDTVJPX-UHFFFAOYSA-N 1 1 218.344 3.368 20 30 BGEDMO CCCCCCC[N@@H+]1Cc2cccnc2C1 ZINC000823006435 587197535 /nfs/dbraw/zinc/19/75/35/587197535.db2.gz INGPDKZDDTVJPX-UHFFFAOYSA-N 1 1 218.344 3.368 20 30 BGEDMO C[N@@H+](CC[C@@H]1CC1(Cl)Cl)CC(C)(C)C#N ZINC000823171806 587206675 /nfs/dbraw/zinc/20/66/75/587206675.db2.gz AXSKNAJMSPSAEZ-SECBINFHSA-N 1 1 249.185 3.052 20 30 BGEDMO C[N@@H+](CC[C@H]1CC1(Cl)Cl)CC(C)(C)C#N ZINC000823171807 587206663 /nfs/dbraw/zinc/20/66/63/587206663.db2.gz AXSKNAJMSPSAEZ-VIFPVBQESA-N 1 1 249.185 3.052 20 30 BGEDMO CCCCCCC[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000823184728 587207202 /nfs/dbraw/zinc/20/72/02/587207202.db2.gz IPIJTAJLGZDJED-HNNXBMFYSA-N 1 1 240.435 3.229 20 30 BGEDMO CCCCCCC[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000823184729 587206993 /nfs/dbraw/zinc/20/69/93/587206993.db2.gz IPIJTAJLGZDJED-OAHLLOKOSA-N 1 1 240.435 3.229 20 30 BGEDMO CCCCCCCC[N@H+]1CCN(C)C[C@@H]1CC ZINC000823195181 587207446 /nfs/dbraw/zinc/20/74/46/587207446.db2.gz REQKOHQKFXDVIX-HNNXBMFYSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCC[N@H+]1CCN(C)C[C@H]1CC ZINC000823195182 587207730 /nfs/dbraw/zinc/20/77/30/587207730.db2.gz REQKOHQKFXDVIX-OAHLLOKOSA-N 1 1 240.435 3.373 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1ccnc(Cl)c1F ZINC000823382806 587218906 /nfs/dbraw/zinc/21/89/06/587218906.db2.gz WRWWYZAOKAGHFT-UHFFFAOYSA-N 1 1 242.725 3.272 20 30 BGEDMO C=C(C)C[N@@H+](CC)Cc1ccnc(Cl)c1F ZINC000823382806 587218904 /nfs/dbraw/zinc/21/89/04/587218904.db2.gz WRWWYZAOKAGHFT-UHFFFAOYSA-N 1 1 242.725 3.272 20 30 BGEDMO C=CC[N@@H+](Cc1csc(C)c1)C(C)C ZINC000823408373 587220367 /nfs/dbraw/zinc/22/03/67/587220367.db2.gz DJHQPFVSBRNKCS-UHFFFAOYSA-N 1 1 209.358 3.453 20 30 BGEDMO C=CC[N@@H+](Cc1cc2cccnc2o1)C(C)C ZINC000823408490 587220393 /nfs/dbraw/zinc/22/03/93/587220393.db2.gz IRYOMRYEOONIRM-UHFFFAOYSA-N 1 1 230.311 3.224 20 30 BGEDMO C=CC[N@@H+](Cc1ccnc(Cl)c1F)C(C)C ZINC000823408700 587219985 /nfs/dbraw/zinc/21/99/85/587219985.db2.gz PIXNARXGMFVAGR-UHFFFAOYSA-N 1 1 242.725 3.271 20 30 BGEDMO C=CC[N@H+](Cc1ccnc(Cl)c1F)C(C)C ZINC000823408700 587219984 /nfs/dbraw/zinc/21/99/84/587219984.db2.gz PIXNARXGMFVAGR-UHFFFAOYSA-N 1 1 242.725 3.271 20 30 BGEDMO C=CC[N@H+](Cc1cc(F)cc(OC)c1)C(C)C ZINC000823409280 587220284 /nfs/dbraw/zinc/22/02/84/587220284.db2.gz WTFCVVJWYXKPSN-UHFFFAOYSA-N 1 1 237.318 3.231 20 30 BGEDMO C#CC[N@H+](CC)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000823419324 587221086 /nfs/dbraw/zinc/22/10/86/587221086.db2.gz YOFOAKLTLYBEIE-LLVKDONJSA-N 1 1 237.293 3.023 20 30 BGEDMO C#CC[N@H+](CC)C[C@H](C)c1cc(F)cc(F)c1 ZINC000823419325 587220973 /nfs/dbraw/zinc/22/09/73/587220973.db2.gz YOFOAKLTLYBEIE-NSHDSACASA-N 1 1 237.293 3.023 20 30 BGEDMO C#CC[N@H+](Cc1ccncc1C)C1CCCCC1 ZINC000823424023 587221066 /nfs/dbraw/zinc/22/10/66/587221066.db2.gz QZPKHFYIHRJPNO-UHFFFAOYSA-N 1 1 242.366 3.158 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccnc(Cl)c1F ZINC000823458867 587223262 /nfs/dbraw/zinc/22/32/62/587223262.db2.gz ISFDOTOCXJRSRS-UHFFFAOYSA-N 1 1 242.725 3.272 20 30 BGEDMO C=CCCCC[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823606275 587232942 /nfs/dbraw/zinc/23/29/42/587232942.db2.gz REMJFGVHVUVZBD-INIZCTEOSA-N 1 1 247.382 3.182 20 30 BGEDMO C=CCCCC[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823606276 587232842 /nfs/dbraw/zinc/23/28/42/587232842.db2.gz REMJFGVHVUVZBD-MRXNPFEDSA-N 1 1 247.382 3.182 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C/C=C\Cl ZINC000823617743 645047553 /nfs/dbraw/zinc/04/75/53/645047553.db2.gz MBBBETSYEJACIW-IBHLPDHGSA-N 1 1 234.730 3.304 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000823618918 645047923 /nfs/dbraw/zinc/04/79/23/645047923.db2.gz VTBYCGCWAARKAW-LLVKDONJSA-N 1 1 234.730 3.304 20 30 BGEDMO C=C(Cl)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000823618918 645047919 /nfs/dbraw/zinc/04/79/19/645047919.db2.gz VTBYCGCWAARKAW-LLVKDONJSA-N 1 1 234.730 3.304 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823618920 645047887 /nfs/dbraw/zinc/04/78/87/645047887.db2.gz VTBYCGCWAARKAW-NSHDSACASA-N 1 1 234.730 3.304 20 30 BGEDMO C=C(Cl)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823618920 645047884 /nfs/dbraw/zinc/04/78/84/645047884.db2.gz VTBYCGCWAARKAW-NSHDSACASA-N 1 1 234.730 3.304 20 30 BGEDMO C#CCC[N@H+]1CC(C)(C)C[C@H]1c1ccccc1 ZINC000823643721 587233781 /nfs/dbraw/zinc/23/37/81/587233781.db2.gz RCKZPWHCYLYYPY-HNNXBMFYSA-N 1 1 227.351 3.483 20 30 BGEDMO C#CCC[N@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000823643733 587233640 /nfs/dbraw/zinc/23/36/40/587233640.db2.gz RCKZPWHCYLYYPY-OAHLLOKOSA-N 1 1 227.351 3.483 20 30 BGEDMO C#CC[N@H+](C[C@@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000824173214 587259222 /nfs/dbraw/zinc/25/92/22/587259222.db2.gz YFSPMHFRQKINNJ-LLVKDONJSA-N 1 1 249.304 3.166 20 30 BGEDMO C#CC[N@H+](C[C@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000824173215 587259558 /nfs/dbraw/zinc/25/95/58/587259558.db2.gz YFSPMHFRQKINNJ-NSHDSACASA-N 1 1 249.304 3.166 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000824297450 587265265 /nfs/dbraw/zinc/26/52/65/587265265.db2.gz SUAMWXYWKYZSMU-GHMZBOCLSA-N 1 1 237.293 3.022 20 30 BGEDMO C#C[C@H](C)[N@H+](C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000824297451 587265531 /nfs/dbraw/zinc/26/55/31/587265531.db2.gz SUAMWXYWKYZSMU-MNOVXSKESA-N 1 1 237.293 3.022 20 30 BGEDMO C#C[C@H](C)[N@H+](C)C[C@H](C)c1cc(F)cc(F)c1 ZINC000824297452 587265595 /nfs/dbraw/zinc/26/55/95/587265595.db2.gz SUAMWXYWKYZSMU-QWRGUYRKSA-N 1 1 237.293 3.022 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)C[C@H](C)c1cc(F)cc(F)c1 ZINC000824297453 587265330 /nfs/dbraw/zinc/26/53/30/587265330.db2.gz SUAMWXYWKYZSMU-WDEREUQCSA-N 1 1 237.293 3.022 20 30 BGEDMO CC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000824547941 587275178 /nfs/dbraw/zinc/27/51/78/587275178.db2.gz FEHWHJFNZNXNSX-UHFFFAOYSA-N 1 1 242.366 3.472 20 30 BGEDMO C=CC[N@H+](Cc1cc(COC)cs1)C(C)C ZINC000824580868 587277708 /nfs/dbraw/zinc/27/77/08/587277708.db2.gz KUCVFUJNYKHYLD-UHFFFAOYSA-N 1 1 239.384 3.291 20 30 BGEDMO C=CC[N@@H+](Cc1c(C2CCC2)cnn1C)C(C)C ZINC000824580992 587277726 /nfs/dbraw/zinc/27/77/26/587277726.db2.gz LWXPSFOBNHDNFS-UHFFFAOYSA-N 1 1 247.386 3.084 20 30 BGEDMO C=C(C)CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000824743663 587285441 /nfs/dbraw/zinc/28/54/41/587285441.db2.gz LCNCHBJLOFNMSC-UHFFFAOYSA-N 1 1 243.709 3.241 20 30 BGEDMO CC1(C)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000824823541 587289045 /nfs/dbraw/zinc/28/90/45/587289045.db2.gz CNDOPXBVJDJDLK-UHFFFAOYSA-N 1 1 240.350 3.226 20 30 BGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000824898138 587292401 /nfs/dbraw/zinc/29/24/01/587292401.db2.gz HWAWVVDEFRYWQT-AWEZNQCLSA-N 1 1 235.758 3.446 20 30 BGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000824898140 587292452 /nfs/dbraw/zinc/29/24/52/587292452.db2.gz HWAWVVDEFRYWQT-CQSZACIVSA-N 1 1 235.758 3.446 20 30 BGEDMO C=C(CC)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000825221029 587309511 /nfs/dbraw/zinc/30/95/11/587309511.db2.gz FFBZRRRWGVZMKO-UHFFFAOYSA-N 1 1 243.709 3.241 20 30 BGEDMO C=C(CC)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000825221656 587310231 /nfs/dbraw/zinc/31/02/31/587310231.db2.gz VLETVJMKMYSNNW-UHFFFAOYSA-N 1 1 243.709 3.241 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825440456 587319367 /nfs/dbraw/zinc/31/93/67/587319367.db2.gz HFOQCYRBZBHULJ-UHFFFAOYSA-N 1 1 239.746 3.362 20 30 BGEDMO C#CC[N@H+](Cc1cc2c(cccc2C)[nH]1)C1CC1 ZINC000825519719 587322384 /nfs/dbraw/zinc/32/23/84/587322384.db2.gz KNTFOHFAXRNQHP-UHFFFAOYSA-N 1 1 238.334 3.074 20 30 BGEDMO C#CC[N@H+](Cc1cc2ccc(C)cc2[nH]1)C1CC1 ZINC000825519808 587322860 /nfs/dbraw/zinc/32/28/60/587322860.db2.gz NGDUVPWHBLTATJ-UHFFFAOYSA-N 1 1 238.334 3.074 20 30 BGEDMO C=CCC[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825650943 587329265 /nfs/dbraw/zinc/32/92/65/587329265.db2.gz BBBYEAXZPNELMD-UHFFFAOYSA-N 1 1 239.746 3.362 20 30 BGEDMO N#CCC[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000825722145 645064105 /nfs/dbraw/zinc/06/41/05/645064105.db2.gz XOOMFRVWCBWOGA-UHFFFAOYSA-N 1 1 228.339 3.347 20 30 BGEDMO C#CCCCNc1[nH+]ccc2ccc(C)cc21 ZINC000825791054 587339277 /nfs/dbraw/zinc/33/92/77/587339277.db2.gz VWBFMYWFHUSAFJ-UHFFFAOYSA-N 1 1 224.307 3.369 20 30 BGEDMO C#Cc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000826538928 587354441 /nfs/dbraw/zinc/35/44/41/587354441.db2.gz LMKQHDVIIVKFHL-HOTGVXAUSA-N 1 1 225.335 3.042 20 30 BGEDMO C#CC1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000826716515 645067066 /nfs/dbraw/zinc/06/70/66/645067066.db2.gz YCZGRRNSWYQKIJ-UHFFFAOYSA-N 1 1 242.347 3.146 20 30 BGEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000826945638 712592908 /nfs/dbraw/zinc/59/29/08/712592908.db2.gz ACEIUSLPUKFENX-AWEZNQCLSA-N 1 1 245.366 3.489 20 30 BGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000826945644 712592874 /nfs/dbraw/zinc/59/28/74/712592874.db2.gz ACEIUSLPUKFENX-CQSZACIVSA-N 1 1 245.366 3.489 20 30 BGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000826945684 712592959 /nfs/dbraw/zinc/59/29/59/712592959.db2.gz ANXOUZJEVSVKJW-GFCCVEGCSA-N 1 1 249.329 3.319 20 30 BGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000826945686 712592920 /nfs/dbraw/zinc/59/29/20/712592920.db2.gz ANXOUZJEVSVKJW-LBPRGKRZSA-N 1 1 249.329 3.319 20 30 BGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000826946900 587366507 /nfs/dbraw/zinc/36/65/07/587366507.db2.gz LLGYFEFLXNAAOP-GFCCVEGCSA-N 1 1 246.354 3.340 20 30 BGEDMO C=CC[C@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000826946901 587366569 /nfs/dbraw/zinc/36/65/69/587366569.db2.gz LLGYFEFLXNAAOP-LBPRGKRZSA-N 1 1 246.354 3.340 20 30 BGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000826947348 587366544 /nfs/dbraw/zinc/36/65/44/587366544.db2.gz QIULISDTWBJITH-GFCCVEGCSA-N 1 1 205.301 3.068 20 30 BGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000826947430 587366596 /nfs/dbraw/zinc/36/65/96/587366596.db2.gz QIULISDTWBJITH-LBPRGKRZSA-N 1 1 205.301 3.068 20 30 BGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC000826947443 587366450 /nfs/dbraw/zinc/36/64/50/587366450.db2.gz QMJAVIISIJRUTM-GFCCVEGCSA-N 1 1 234.318 3.009 20 30 BGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC000826947447 587366689 /nfs/dbraw/zinc/36/66/89/587366689.db2.gz QMJAVIISIJRUTM-LBPRGKRZSA-N 1 1 234.318 3.009 20 30 BGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000826948063 587366565 /nfs/dbraw/zinc/36/65/65/587366565.db2.gz VTTMNBOGUULHOT-CYBMUJFWSA-N 1 1 231.339 3.180 20 30 BGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000826948064 587366455 /nfs/dbraw/zinc/36/64/55/587366455.db2.gz VTTMNBOGUULHOT-ZDUSSCGKSA-N 1 1 231.339 3.180 20 30 BGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(F)nc2C)C1 ZINC000826948071 587366590 /nfs/dbraw/zinc/36/65/90/587366590.db2.gz VYWAINMFMQAEQA-CYBMUJFWSA-N 1 1 248.345 3.317 20 30 BGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(F)nc2C)C1 ZINC000826948072 587366617 /nfs/dbraw/zinc/36/66/17/587366617.db2.gz VYWAINMFMQAEQA-ZDUSSCGKSA-N 1 1 248.345 3.317 20 30 BGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000827272148 587374656 /nfs/dbraw/zinc/37/46/56/587374656.db2.gz YBLQTGYKBCQJED-HNNXBMFYSA-N 1 1 245.341 3.240 20 30 BGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000827272149 587374784 /nfs/dbraw/zinc/37/47/84/587374784.db2.gz YBLQTGYKBCQJED-OAHLLOKOSA-N 1 1 245.341 3.240 20 30 BGEDMO C=CCCCC[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000827333086 587377355 /nfs/dbraw/zinc/37/73/55/587377355.db2.gz XROXVQNZXLGUHY-AWEZNQCLSA-N 1 1 234.343 3.476 20 30 BGEDMO C=CCCCC[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000827333091 587377490 /nfs/dbraw/zinc/37/74/90/587377490.db2.gz XROXVQNZXLGUHY-CQSZACIVSA-N 1 1 234.343 3.476 20 30 BGEDMO C=C(C)C[N@H+](CC)C[C@]1(C)CC1(Cl)Cl ZINC000827353470 587378162 /nfs/dbraw/zinc/37/81/62/587378162.db2.gz DETUNKGEDIMNHT-JTQLQIEISA-N 1 1 236.186 3.468 20 30 BGEDMO C=C(C)C[N@H+](CC)C[C@@]1(C)CC1(Cl)Cl ZINC000827353471 587378169 /nfs/dbraw/zinc/37/81/69/587378169.db2.gz DETUNKGEDIMNHT-SNVBAGLBSA-N 1 1 236.186 3.468 20 30 BGEDMO C=CCCCC[N@H+](C)Cc1c(C)noc1C ZINC000827401030 587380002 /nfs/dbraw/zinc/38/00/02/587380002.db2.gz VTSMIORYTOQHNZ-UHFFFAOYSA-N 1 1 222.332 3.080 20 30 BGEDMO C=CC[N@@H+](C[C@]1(C)CC1(Cl)Cl)C(C)C ZINC000827437879 587381093 /nfs/dbraw/zinc/38/10/93/587381093.db2.gz DTMQYHIZFKWTBB-JTQLQIEISA-N 1 1 236.186 3.467 20 30 BGEDMO C=CC[N@@H+](C[C@@]1(C)CC1(Cl)Cl)C(C)C ZINC000827437880 587381059 /nfs/dbraw/zinc/38/10/59/587381059.db2.gz DTMQYHIZFKWTBB-SNVBAGLBSA-N 1 1 236.186 3.467 20 30 BGEDMO C=CC[N@@H+](C[C@@H](O)[C@H](C)c1ccccc1)C(C)C ZINC000827438411 587380651 /nfs/dbraw/zinc/38/06/51/587380651.db2.gz PDNPVPOURGAKMK-GDBMZVCRSA-N 1 1 247.382 3.047 20 30 BGEDMO C=CC[N@@H+](C[C@@H](O)[C@@H](C)c1ccccc1)C(C)C ZINC000827438412 587380734 /nfs/dbraw/zinc/38/07/34/587380734.db2.gz PDNPVPOURGAKMK-GOEBONIOSA-N 1 1 247.382 3.047 20 30 BGEDMO C=CC[N@@H+](C[C@H](O)[C@@H](C)c1ccccc1)C(C)C ZINC000827438413 587380753 /nfs/dbraw/zinc/38/07/53/587380753.db2.gz PDNPVPOURGAKMK-HOCLYGCPSA-N 1 1 247.382 3.047 20 30 BGEDMO C=CC[N@@H+](C[C@H](O)[C@H](C)c1ccccc1)C(C)C ZINC000827438414 587380780 /nfs/dbraw/zinc/38/07/80/587380780.db2.gz PDNPVPOURGAKMK-ZBFHGGJFSA-N 1 1 247.382 3.047 20 30 BGEDMO C=CC[N@@H+](C[C@@H]1CCC(F)(F)C1)C(C)C ZINC000827438452 587381038 /nfs/dbraw/zinc/38/10/38/587381038.db2.gz QFSGCNQZFZBKSP-LLVKDONJSA-N 1 1 217.303 3.318 20 30 BGEDMO C=CC[N@@H+](C[C@H]1CCC(F)(F)C1)C(C)C ZINC000827438453 587381047 /nfs/dbraw/zinc/38/10/47/587381047.db2.gz QFSGCNQZFZBKSP-NSHDSACASA-N 1 1 217.303 3.318 20 30 BGEDMO C=CC[N@@H+](Cc1cccc(C(C)=O)c1)C(C)C ZINC000827438616 587379589 /nfs/dbraw/zinc/37/95/89/587379589.db2.gz SJAFWHUBOHBZSZ-UHFFFAOYSA-N 1 1 231.339 3.286 20 30 BGEDMO C=CC[N@H+](C[C@H](Cc1ccccc1)OC)C(C)C ZINC000827438633 587380902 /nfs/dbraw/zinc/38/09/02/587380902.db2.gz TZVGUOKDFUOQTP-INIZCTEOSA-N 1 1 247.382 3.141 20 30 BGEDMO C=CC[N@H+](C[C@@H](Cc1ccccc1)OC)C(C)C ZINC000827438634 587380946 /nfs/dbraw/zinc/38/09/46/587380946.db2.gz TZVGUOKDFUOQTP-MRXNPFEDSA-N 1 1 247.382 3.141 20 30 BGEDMO C#CC[N@H+](CC1CC(F)(F)C1)C1CCCCC1 ZINC000827515661 587385751 /nfs/dbraw/zinc/38/57/51/587385751.db2.gz DRAWLMGLJCIXQI-UHFFFAOYSA-N 1 1 241.325 3.300 20 30 BGEDMO C#CC[N@H+](CCCC(=O)CC)C1CCCCC1 ZINC000827516200 587385860 /nfs/dbraw/zinc/38/58/60/587385860.db2.gz NVZFHUOBFCLXSK-UHFFFAOYSA-N 1 1 235.371 3.014 20 30 BGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@]1(C)CC1(Cl)Cl ZINC000827602153 587391835 /nfs/dbraw/zinc/39/18/35/587391835.db2.gz QRCNFUDFFXPPMX-NXEZZACHSA-N 1 1 249.185 3.052 20 30 BGEDMO CC[N@H+](C[C@H](C)C#N)C[C@@]1(C)CC1(Cl)Cl ZINC000827602153 587391834 /nfs/dbraw/zinc/39/18/34/587391834.db2.gz QRCNFUDFFXPPMX-NXEZZACHSA-N 1 1 249.185 3.052 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@]1(C)CC1(Cl)Cl ZINC000827602155 587391957 /nfs/dbraw/zinc/39/19/57/587391957.db2.gz QRCNFUDFFXPPMX-UWVGGRQHSA-N 1 1 249.185 3.052 20 30 BGEDMO CC[N@H+](C[C@@H](C)C#N)C[C@]1(C)CC1(Cl)Cl ZINC000827602155 587391955 /nfs/dbraw/zinc/39/19/55/587391955.db2.gz QRCNFUDFFXPPMX-UWVGGRQHSA-N 1 1 249.185 3.052 20 30 BGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@]1(C)CC1(Cl)Cl ZINC000827602157 587392094 /nfs/dbraw/zinc/39/20/94/587392094.db2.gz QRCNFUDFFXPPMX-VHSXEESVSA-N 1 1 249.185 3.052 20 30 BGEDMO CC[N@H+](C[C@@H](C)C#N)C[C@@]1(C)CC1(Cl)Cl ZINC000827602157 587392093 /nfs/dbraw/zinc/39/20/93/587392093.db2.gz QRCNFUDFFXPPMX-VHSXEESVSA-N 1 1 249.185 3.052 20 30 BGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@]1(C)CC1(Cl)Cl ZINC000827602159 587391820 /nfs/dbraw/zinc/39/18/20/587391820.db2.gz QRCNFUDFFXPPMX-ZJUUUORDSA-N 1 1 249.185 3.052 20 30 BGEDMO CC[N@H+](C[C@H](C)C#N)C[C@]1(C)CC1(Cl)Cl ZINC000827602159 587391819 /nfs/dbraw/zinc/39/18/19/587391819.db2.gz QRCNFUDFFXPPMX-ZJUUUORDSA-N 1 1 249.185 3.052 20 30 BGEDMO C=CC[N@H+](CCc1ncc(C)cc1C)C(C)C ZINC000827799722 587403293 /nfs/dbraw/zinc/40/32/93/587403293.db2.gz UHHHEGQYKKYEPI-UHFFFAOYSA-N 1 1 232.371 3.137 20 30 BGEDMO C#CC[N@@H+](CCC[C@H]1CCOC1)C1CCCCC1 ZINC000827814207 587404269 /nfs/dbraw/zinc/40/42/69/587404269.db2.gz ADNWAWUCPKLVJT-HNNXBMFYSA-N 1 1 249.398 3.071 20 30 BGEDMO C#CC[N@@H+](CCC[C@@H]1CCOC1)C1CCCCC1 ZINC000827814208 587404134 /nfs/dbraw/zinc/40/41/34/587404134.db2.gz ADNWAWUCPKLVJT-OAHLLOKOSA-N 1 1 249.398 3.071 20 30 BGEDMO C=CCCC[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000827860489 587405850 /nfs/dbraw/zinc/40/58/50/587405850.db2.gz UMUFEPPZTDVVJC-JTQLQIEISA-N 1 1 236.186 3.468 20 30 BGEDMO C=CCCC[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000827860490 587405651 /nfs/dbraw/zinc/40/56/51/587405651.db2.gz UMUFEPPZTDVVJC-SNVBAGLBSA-N 1 1 236.186 3.468 20 30 BGEDMO C=CCCC[N@H+](C)Cc1csc(Cl)n1 ZINC000827860569 587405854 /nfs/dbraw/zinc/40/58/54/587405854.db2.gz WBYOCDJNXLCEKD-UHFFFAOYSA-N 1 1 230.764 3.195 20 30 BGEDMO C=CCCC[N@@H+](C)Cc1csc(Cl)n1 ZINC000827860569 587405853 /nfs/dbraw/zinc/40/58/53/587405853.db2.gz WBYOCDJNXLCEKD-UHFFFAOYSA-N 1 1 230.764 3.195 20 30 BGEDMO C=CCCCC[N@@H+](CCC#N)CC(C)C ZINC000827872725 587406332 /nfs/dbraw/zinc/40/63/32/587406332.db2.gz HYWJNOYGQRGARY-UHFFFAOYSA-N 1 1 208.349 3.214 20 30 BGEDMO C#CC[N@@H+](CC)CC/C=C\c1ccccc1 ZINC000827991471 587415694 /nfs/dbraw/zinc/41/56/94/587415694.db2.gz QCJKOMXILBHBII-WQLSENKSSA-N 1 1 213.324 3.045 20 30 BGEDMO C#CC[N@@H+](CC)CC/C=C/c1ccccc1 ZINC000827991479 587415421 /nfs/dbraw/zinc/41/54/21/587415421.db2.gz QCJKOMXILBHBII-XYOKQWHBSA-N 1 1 213.324 3.045 20 30 BGEDMO C#CC[N@H+](C[C@@H]1CCC(F)(F)C1)C1CCCC1 ZINC000828036429 587416901 /nfs/dbraw/zinc/41/69/01/587416901.db2.gz KJLFSXJREJYXGS-GFCCVEGCSA-N 1 1 241.325 3.300 20 30 BGEDMO C#CC[N@H+](C[C@H]1CCC(F)(F)C1)C1CCCC1 ZINC000828036430 587417084 /nfs/dbraw/zinc/41/70/84/587417084.db2.gz KJLFSXJREJYXGS-LBPRGKRZSA-N 1 1 241.325 3.300 20 30 BGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(F)c1 ZINC000828095468 587419177 /nfs/dbraw/zinc/41/91/77/587419177.db2.gz OOWVIGBFQAZWMD-LLVKDONJSA-N 1 1 232.302 3.170 20 30 BGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(F)c1 ZINC000828095469 587419424 /nfs/dbraw/zinc/41/94/24/587419424.db2.gz OOWVIGBFQAZWMD-NSHDSACASA-N 1 1 232.302 3.170 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)CC(C)C ZINC000828440873 587442415 /nfs/dbraw/zinc/44/24/15/587442415.db2.gz WTOLBPIKRQWEAP-CYBMUJFWSA-N 1 1 223.360 3.032 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)CC(C)C ZINC000828440874 587442351 /nfs/dbraw/zinc/44/23/51/587442351.db2.gz WTOLBPIKRQWEAP-ZDUSSCGKSA-N 1 1 223.360 3.032 20 30 BGEDMO C=CCCCC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000828529452 587447889 /nfs/dbraw/zinc/44/78/89/587447889.db2.gz MUQDOWHAOZLMML-JTQLQIEISA-N 1 1 221.266 3.227 20 30 BGEDMO C=CCCCC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000828529453 587448205 /nfs/dbraw/zinc/44/82/05/587448205.db2.gz MUQDOWHAOZLMML-SNVBAGLBSA-N 1 1 221.266 3.227 20 30 BGEDMO C=CC[N@H+](C[C@]1(C)CC1(Cl)Cl)C1CC1 ZINC000828620721 587454232 /nfs/dbraw/zinc/45/42/32/587454232.db2.gz VBLGIQNOUXDUPK-JTQLQIEISA-N 1 1 234.170 3.221 20 30 BGEDMO C=CC[N@H+](C[C@@]1(C)CC1(Cl)Cl)C1CC1 ZINC000828620723 587454516 /nfs/dbraw/zinc/45/45/16/587454516.db2.gz VBLGIQNOUXDUPK-SNVBAGLBSA-N 1 1 234.170 3.221 20 30 BGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cc1 ZINC000828624146 587454357 /nfs/dbraw/zinc/45/43/57/587454357.db2.gz FVJHGLKNGCRWAS-LLVKDONJSA-N 1 1 232.302 3.170 20 30 BGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cc1 ZINC000828624148 587454421 /nfs/dbraw/zinc/45/44/21/587454421.db2.gz FVJHGLKNGCRWAS-NSHDSACASA-N 1 1 232.302 3.170 20 30 BGEDMO CC(C)[C@H]([NH2+]CC1(C#N)CCC1)c1ccccn1 ZINC000828693490 587457541 /nfs/dbraw/zinc/45/75/41/587457541.db2.gz UMOHKKMSKZDUAM-AWEZNQCLSA-N 1 1 243.354 3.062 20 30 BGEDMO CC(C)[C@@H]([NH2+]CC1(C#N)CCC1)c1ccccn1 ZINC000828693497 587457621 /nfs/dbraw/zinc/45/76/21/587457621.db2.gz UMOHKKMSKZDUAM-CQSZACIVSA-N 1 1 243.354 3.062 20 30 BGEDMO C=C(C)C[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000828735955 587459569 /nfs/dbraw/zinc/45/95/69/587459569.db2.gz CMXUWGBWFMNKQM-SECBINFHSA-N 1 1 222.159 3.078 20 30 BGEDMO C=C(C)C[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000828735956 587459285 /nfs/dbraw/zinc/45/92/85/587459285.db2.gz CMXUWGBWFMNKQM-VIFPVBQESA-N 1 1 222.159 3.078 20 30 BGEDMO Cc1nc(C)c([C@@H](C)[NH2+]CC2(C#N)CCC2)s1 ZINC000828816391 587464026 /nfs/dbraw/zinc/46/40/26/587464026.db2.gz UGIAUZWAVJQVJM-SECBINFHSA-N 1 1 249.383 3.104 20 30 BGEDMO Cc1nc(C)c([C@H](C)[NH2+]CC2(C#N)CCC2)s1 ZINC000828816392 587463789 /nfs/dbraw/zinc/46/37/89/587463789.db2.gz UGIAUZWAVJQVJM-VIFPVBQESA-N 1 1 249.383 3.104 20 30 BGEDMO C#CC[N@@H+](CC/C=C\c1ccccc1)C1CC1 ZINC000828890897 587469102 /nfs/dbraw/zinc/46/91/02/587469102.db2.gz FDKNADSOMHCTKC-POHAHGRESA-N 1 1 225.335 3.188 20 30 BGEDMO C#CC[N@@H+](CC/C=C/c1ccccc1)C1CC1 ZINC000828890898 587468958 /nfs/dbraw/zinc/46/89/58/587468958.db2.gz FDKNADSOMHCTKC-UXBLZVDNSA-N 1 1 225.335 3.188 20 30 BGEDMO C#CCCC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000829008725 587479208 /nfs/dbraw/zinc/47/92/08/587479208.db2.gz WDWGVFNGUUQETL-UHFFFAOYSA-N 1 1 239.771 3.173 20 30 BGEDMO C=CCC[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000829141049 587483641 /nfs/dbraw/zinc/48/36/41/587483641.db2.gz YFZHUVZNRYDAMZ-SECBINFHSA-N 1 1 222.159 3.078 20 30 BGEDMO C=CCC[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000829141050 587483577 /nfs/dbraw/zinc/48/35/77/587483577.db2.gz YFZHUVZNRYDAMZ-VIFPVBQESA-N 1 1 222.159 3.078 20 30 BGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(Cl)nc1 ZINC000829159209 587485862 /nfs/dbraw/zinc/48/58/62/587485862.db2.gz MWLRKANRRWBSRU-JTQLQIEISA-N 1 1 249.745 3.079 20 30 BGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(Cl)nc1 ZINC000829159211 587485779 /nfs/dbraw/zinc/48/57/79/587485779.db2.gz MWLRKANRRWBSRU-SNVBAGLBSA-N 1 1 249.745 3.079 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000829226434 587489215 /nfs/dbraw/zinc/48/92/15/587489215.db2.gz PPMWEYMIOYJQFR-INIZCTEOSA-N 1 1 245.341 3.246 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000829226440 587489227 /nfs/dbraw/zinc/48/92/27/587489227.db2.gz PPMWEYMIOYJQFR-MRXNPFEDSA-N 1 1 245.341 3.246 20 30 BGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccccc1OC1CC1 ZINC000829244032 587489934 /nfs/dbraw/zinc/48/99/34/587489934.db2.gz OJTJWZUMICOTJZ-UHFFFAOYSA-N 1 1 243.350 3.071 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)CC/C=C/c1ccccc1 ZINC000829283045 587491337 /nfs/dbraw/zinc/49/13/37/587491337.db2.gz IJDGVCUSEORVLB-BCNIOPEESA-N 1 1 213.324 3.043 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)CC/C=C/c1ccccc1 ZINC000829283046 587491545 /nfs/dbraw/zinc/49/15/45/587491545.db2.gz IJDGVCUSEORVLB-CEFACKQISA-N 1 1 213.324 3.043 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)CC/C=C\c1ccccc1 ZINC000829283047 587491189 /nfs/dbraw/zinc/49/11/89/587491189.db2.gz IJDGVCUSEORVLB-ICDLMJIXSA-N 1 1 213.324 3.043 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)CC/C=C\c1ccccc1 ZINC000829283048 587491286 /nfs/dbraw/zinc/49/12/86/587491286.db2.gz IJDGVCUSEORVLB-UNJUUPHPSA-N 1 1 213.324 3.043 20 30 BGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccnc(Cl)c1 ZINC000829390195 587495430 /nfs/dbraw/zinc/49/54/30/587495430.db2.gz AQDLQEQQYHHUPM-JTQLQIEISA-N 1 1 249.745 3.079 20 30 BGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccnc(Cl)c1 ZINC000829390196 587495568 /nfs/dbraw/zinc/49/55/68/587495568.db2.gz AQDLQEQQYHHUPM-SNVBAGLBSA-N 1 1 249.745 3.079 20 30 BGEDMO C=CCCCC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000829449110 587497347 /nfs/dbraw/zinc/49/73/47/587497347.db2.gz MFYDQKLBMFSULV-AWEZNQCLSA-N 1 1 230.355 3.227 20 30 BGEDMO C=CCCCC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000829449111 587497698 /nfs/dbraw/zinc/49/76/98/587497698.db2.gz MFYDQKLBMFSULV-CQSZACIVSA-N 1 1 230.355 3.227 20 30 BGEDMO C=CCCCC[N@@H+]1CCC=C(Br)C1 ZINC000829463894 587498828 /nfs/dbraw/zinc/49/88/28/587498828.db2.gz QOQYNGOZPKAJFB-UHFFFAOYSA-N 1 1 244.176 3.327 20 30 BGEDMO C=C(Cl)C[NH2+]C1(c2ccccc2C)CC1 ZINC000829490162 587500154 /nfs/dbraw/zinc/50/01/54/587500154.db2.gz NVEDJHACVBYEQS-UHFFFAOYSA-N 1 1 221.731 3.326 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000829620582 587506364 /nfs/dbraw/zinc/50/63/64/587506364.db2.gz AMNIJQLHJWUSJG-KGLIPLIRSA-N 1 1 225.376 3.068 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000829764089 587514579 /nfs/dbraw/zinc/51/45/79/587514579.db2.gz GJOCSUDAMFKXHT-INIZCTEOSA-N 1 1 245.341 3.246 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC000829764090 587514569 /nfs/dbraw/zinc/51/45/69/587514569.db2.gz GJOCSUDAMFKXHT-MRXNPFEDSA-N 1 1 245.341 3.246 20 30 BGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000829768403 587514586 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30 BGEDMO C#CC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000830746403 587566261 /nfs/dbraw/zinc/56/62/61/587566261.db2.gz XJMAFZRAJHRITG-HNNXBMFYSA-N 1 1 223.319 3.013 20 30 BGEDMO C#CC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000830746404 587566477 /nfs/dbraw/zinc/56/64/77/587566477.db2.gz XJMAFZRAJHRITG-OAHLLOKOSA-N 1 1 223.319 3.013 20 30 BGEDMO C#CCC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000830764570 587568946 /nfs/dbraw/zinc/56/89/46/587568946.db2.gz JNDWGQOANCCTAL-INIZCTEOSA-N 1 1 237.346 3.403 20 30 BGEDMO C#CCC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000830764572 587568904 /nfs/dbraw/zinc/56/89/04/587568904.db2.gz JNDWGQOANCCTAL-MRXNPFEDSA-N 1 1 237.346 3.403 20 30 BGEDMO C#CCCC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000830987767 587580176 /nfs/dbraw/zinc/58/01/76/587580176.db2.gz FVWBSLIWTDOZTA-AWEZNQCLSA-N 1 1 205.345 3.054 20 30 BGEDMO C#CCCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000830987769 587580064 /nfs/dbraw/zinc/58/00/64/587580064.db2.gz FVWBSLIWTDOZTA-CQSZACIVSA-N 1 1 205.345 3.054 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000831176772 587589812 /nfs/dbraw/zinc/58/98/12/587589812.db2.gz ZXZFIQYJGODWAW-CYBMUJFWSA-N 1 1 249.345 3.049 20 30 BGEDMO CCCCCCCC[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000831176773 587589750 /nfs/dbraw/zinc/58/97/50/587589750.db2.gz ZXZFIQYJGODWAW-ZDUSSCGKSA-N 1 1 249.345 3.049 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000831527714 587616540 /nfs/dbraw/zinc/61/65/40/587616540.db2.gz HEYNGOKYZQWMCQ-KBPBESRZSA-N 1 1 227.392 3.314 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000831527717 587616624 /nfs/dbraw/zinc/61/66/24/587616624.db2.gz HEYNGOKYZQWMCQ-KGLIPLIRSA-N 1 1 227.392 3.314 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000831527718 587616745 /nfs/dbraw/zinc/61/67/45/587616745.db2.gz HEYNGOKYZQWMCQ-UONOGXRCSA-N 1 1 227.392 3.314 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000831527720 587616440 /nfs/dbraw/zinc/61/64/40/587616440.db2.gz HEYNGOKYZQWMCQ-ZIAGYGMSSA-N 1 1 227.392 3.314 20 30 BGEDMO C#CCC[N@H+](CCCC)[C@@H]1CCCC[C@H]1OC ZINC000831787216 587632074 /nfs/dbraw/zinc/63/20/74/587632074.db2.gz OGSQMUJOZNLFAQ-HUUCEWRRSA-N 1 1 237.387 3.069 20 30 BGEDMO CCCCCCCN1CC[N@@H+](CC)C[C@@H]1CC ZINC000831965279 587639819 /nfs/dbraw/zinc/63/98/19/587639819.db2.gz VJWPNFGXJRIFGT-HNNXBMFYSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCN1CC[N@H+](CC)C[C@@H]1CC ZINC000831965279 587639818 /nfs/dbraw/zinc/63/98/18/587639818.db2.gz VJWPNFGXJRIFGT-HNNXBMFYSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCC[N@H+]1CCN(CC)C[C@@H]1CC ZINC000831965279 587639816 /nfs/dbraw/zinc/63/98/16/587639816.db2.gz VJWPNFGXJRIFGT-HNNXBMFYSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCN1CC[N@@H+](CC)C[C@H]1CC ZINC000831965280 587639732 /nfs/dbraw/zinc/63/97/32/587639732.db2.gz VJWPNFGXJRIFGT-OAHLLOKOSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCCN1CC[N@H+](CC)C[C@H]1CC ZINC000831965280 587639730 /nfs/dbraw/zinc/63/97/30/587639730.db2.gz VJWPNFGXJRIFGT-OAHLLOKOSA-N 1 1 240.435 3.373 20 30 BGEDMO CCCCCCC[N@H+]1CCN(CC)C[C@H]1CC ZINC000831965280 587639728 /nfs/dbraw/zinc/63/97/28/587639728.db2.gz VJWPNFGXJRIFGT-OAHLLOKOSA-N 1 1 240.435 3.373 20 30 BGEDMO C#CCCC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000832232191 587651571 /nfs/dbraw/zinc/65/15/71/587651571.db2.gz NSDQXJQDRYAZII-AWEZNQCLSA-N 1 1 229.323 3.220 20 30 BGEDMO C#CCCC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000832232192 587651557 /nfs/dbraw/zinc/65/15/57/587651557.db2.gz NSDQXJQDRYAZII-CQSZACIVSA-N 1 1 229.323 3.220 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000832518236 587664425 /nfs/dbraw/zinc/66/44/25/587664425.db2.gz VZISTJLSFHLQFL-AWEZNQCLSA-N 1 1 235.277 3.125 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000832518238 587664514 /nfs/dbraw/zinc/66/45/14/587664514.db2.gz VZISTJLSFHLQFL-CQSZACIVSA-N 1 1 235.277 3.125 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1C ZINC000832524412 587665023 /nfs/dbraw/zinc/66/50/23/587665023.db2.gz OCABOMXIPFMVCI-HNNXBMFYSA-N 1 1 231.314 3.294 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1C ZINC000832524420 587665084 /nfs/dbraw/zinc/66/50/84/587665084.db2.gz OCABOMXIPFMVCI-OAHLLOKOSA-N 1 1 231.314 3.294 20 30 BGEDMO C=C(Br)C[N@H+]1[C@H](C)CCC1(C)C ZINC000832564223 587666418 /nfs/dbraw/zinc/66/64/18/587666418.db2.gz DGUAAZIZXYSPMP-SECBINFHSA-N 1 1 232.165 3.158 20 30 BGEDMO C=C(Br)C[N@H+]1[C@@H](C)CCC1(C)C ZINC000832564225 587666248 /nfs/dbraw/zinc/66/62/48/587666248.db2.gz DGUAAZIZXYSPMP-VIFPVBQESA-N 1 1 232.165 3.158 20 30 BGEDMO C#CCCC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000832634763 587671265 /nfs/dbraw/zinc/67/12/65/587671265.db2.gz UMNIAQUYWVGAJR-UHFFFAOYSA-N 1 1 215.340 3.149 20 30 BGEDMO C#CCCC[N@H+](C(C)C)C1CC(C)(C)C1 ZINC000832764445 587686585 /nfs/dbraw/zinc/68/65/85/587686585.db2.gz MKSYEWXELSPMRJ-UHFFFAOYSA-N 1 1 207.361 3.299 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@H](CCCO)C1 ZINC000832783004 587689365 /nfs/dbraw/zinc/68/93/65/587689365.db2.gz MOXNBWLJMIOJMX-AWEZNQCLSA-N 1 1 227.392 3.051 20 30 BGEDMO CCCCCCC[N@H+]1CC[C@@H](CCCO)C1 ZINC000832783006 584912577 /nfs/dbraw/zinc/91/25/77/584912577.db2.gz MOXNBWLJMIOJMX-CQSZACIVSA-N 1 1 227.392 3.051 20 30 BGEDMO FC1(F)CC1=C[NH2+]Nc1ccc(Cl)cc1 ZINC000834914685 587770562 /nfs/dbraw/zinc/77/05/62/587770562.db2.gz RKVBBXXIJWBJMS-SSDOTTSWSA-N 1 1 230.645 3.393 20 30 BGEDMO FC1(F)CC1=C[NH2+]Nc1ccc(Cl)cc1 ZINC000834914690 587770684 /nfs/dbraw/zinc/77/06/84/587770684.db2.gz RKVBBXXIJWBJMS-ZETCQYMHSA-N 1 1 230.645 3.393 20 30 BGEDMO FC1(F)CC1=C[NH2+]Nc1ccccc1Cl ZINC000834916739 587770793 /nfs/dbraw/zinc/77/07/93/587770793.db2.gz JWGDTAAVAGAICX-SSDOTTSWSA-N 1 1 230.645 3.393 20 30 BGEDMO FC1(F)CC1=C[NH2+]Nc1ccccc1Cl ZINC000834916740 587770873 /nfs/dbraw/zinc/77/08/73/587770873.db2.gz JWGDTAAVAGAICX-ZETCQYMHSA-N 1 1 230.645 3.393 20 30 BGEDMO Cc1ccc(F)c(N[NH2+]C=C2CC2(F)F)c1 ZINC000834960980 587772787 /nfs/dbraw/zinc/77/27/87/587772787.db2.gz FSEGQTURLKCCSM-MRVPVSSYSA-N 1 1 228.217 3.187 20 30 BGEDMO Cc1ccc(F)c(N[NH2+]C=C2CC2(F)F)c1 ZINC000834960981 587772809 /nfs/dbraw/zinc/77/28/09/587772809.db2.gz FSEGQTURLKCCSM-QMMMGPOBSA-N 1 1 228.217 3.187 20 30 BGEDMO CCC(=[NH+]OC(C)C)c1ccc(Cl)c(N)c1 ZINC000834999572 641752952 /nfs/dbraw/zinc/75/29/52/641752952.db2.gz CLBOZIYJQPJSHL-UHFFFAOYSA-N 1 1 240.734 3.461 20 30 BGEDMO CC(=[NH+]OC(C)C)c1ccc(Cl)c(N)c1 ZINC000834999699 645155304 /nfs/dbraw/zinc/15/53/04/645155304.db2.gz DOQVSZRMWHSFDY-UHFFFAOYSA-N 1 1 226.707 3.071 20 30 BGEDMO CC(=[NH+]OC(C)C)c1ccc(F)cc1N(C)C ZINC000835000390 584916981 /nfs/dbraw/zinc/91/69/81/584916981.db2.gz NEVWGDKEIVURHV-UHFFFAOYSA-N 1 1 238.306 3.041 20 30 BGEDMO CC(=[NH+]OC(C)C)c1ccc(N)cc1Cl ZINC000835003431 645157923 /nfs/dbraw/zinc/15/79/23/645157923.db2.gz UCJVTQBDTKHPCK-UHFFFAOYSA-N 1 1 226.707 3.071 20 30 BGEDMO CCc1ccc(N=NC2CCC[N@@H+](C)CC2)cc1 ZINC000835010967 587777859 /nfs/dbraw/zinc/77/78/59/587777859.db2.gz LNTNKMTUIDZJPU-UHFFFAOYSA-N 1 1 245.370 3.133 20 30 BGEDMO C=CCO[NH+]=C(CC)c1ccc(Cl)c(N)c1 ZINC000835015129 584918523 /nfs/dbraw/zinc/91/85/23/584918523.db2.gz PKQRHBQYAFARAK-UHFFFAOYSA-N 1 1 238.718 3.239 20 30 BGEDMO C=C(C)C[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835044009 587779357 /nfs/dbraw/zinc/77/93/57/587779357.db2.gz FTRUJHZIOWRSJL-SREVYHEPSA-N 1 1 244.382 3.274 20 30 BGEDMO C=C(C)C[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835044010 587779450 /nfs/dbraw/zinc/77/94/50/587779450.db2.gz FTRUJHZIOWRSJL-VOTSOKGWSA-N 1 1 244.382 3.274 20 30 BGEDMO C=CCC[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835049184 587779733 /nfs/dbraw/zinc/77/97/33/587779733.db2.gz CGPYVEYWTFLUSR-BQYQJAHWSA-N 1 1 244.382 3.274 20 30 BGEDMO C=CCC[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835049185 587779650 /nfs/dbraw/zinc/77/96/50/587779650.db2.gz CGPYVEYWTFLUSR-FPLPWBNLSA-N 1 1 244.382 3.274 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1ccc(C)nc1Cl ZINC000838789694 585070412 /nfs/dbraw/zinc/07/04/12/585070412.db2.gz VITAGMFYBALSRL-UHFFFAOYSA-N 1 1 238.762 3.441 20 30 BGEDMO C=C(C)C[N@@H+](CC)Cc1ccc(C)nc1Cl ZINC000838789694 585070411 /nfs/dbraw/zinc/07/04/11/585070411.db2.gz VITAGMFYBALSRL-UHFFFAOYSA-N 1 1 238.762 3.441 20 30 BGEDMO C=CC[N@H+](CCOCC1CCCC1)C(C)C ZINC000838793123 585068482 /nfs/dbraw/zinc/06/84/82/585068482.db2.gz HHFIAUGHJQDXIG-UHFFFAOYSA-N 1 1 225.376 3.090 20 30 BGEDMO C=CC[N@H+](Cc1ccc(O)c(OCC)c1)C(C)C ZINC000838793127 585068476 /nfs/dbraw/zinc/06/84/76/585068476.db2.gz FSUUGZKPHQCACF-UHFFFAOYSA-N 1 1 249.354 3.187 20 30 BGEDMO C=CC[N@@H+](Cc1ccc(C)nc1Cl)C(C)C ZINC000838794752 585068821 /nfs/dbraw/zinc/06/88/21/585068821.db2.gz YZSNQOABODDGCS-UHFFFAOYSA-N 1 1 238.762 3.440 20 30 BGEDMO C=CC[N@H+](Cc1ccc(C)nc1Cl)C(C)C ZINC000838794752 585068820 /nfs/dbraw/zinc/06/88/20/585068820.db2.gz YZSNQOABODDGCS-UHFFFAOYSA-N 1 1 238.762 3.440 20 30 BGEDMO C=CCCC[N@H+](C)Cc1ccc(C)nc1Cl ZINC000838850323 585074650 /nfs/dbraw/zinc/07/46/50/585074650.db2.gz MEGOLSXSHZCTGS-UHFFFAOYSA-N 1 1 238.762 3.441 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(C)nc1Cl ZINC000838922574 585078410 /nfs/dbraw/zinc/07/84/10/585078410.db2.gz SQNMMQJKEUVMBN-UHFFFAOYSA-N 1 1 224.735 3.051 20 30 BGEDMO C=C(C)C[N@@H+](C)Cc1ccc(C)nc1Cl ZINC000838922574 585078409 /nfs/dbraw/zinc/07/84/09/585078409.db2.gz SQNMMQJKEUVMBN-UHFFFAOYSA-N 1 1 224.735 3.051 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(C)nc1Cl ZINC000838963412 585082218 /nfs/dbraw/zinc/08/22/18/585082218.db2.gz FVAYJVCCZJWQMG-UHFFFAOYSA-N 1 1 224.735 3.051 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000839062047 712402041 /nfs/dbraw/zinc/40/20/41/712402041.db2.gz POIKZGGXBQUJKI-GFCCVEGCSA-N 1 1 213.324 3.018 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000839062048 712402087 /nfs/dbraw/zinc/40/20/87/712402087.db2.gz POIKZGGXBQUJKI-LBPRGKRZSA-N 1 1 213.324 3.018 20 30 BGEDMO C#CC[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000839128631 585093521 /nfs/dbraw/zinc/09/35/21/585093521.db2.gz HMZLYMBTOJCOKE-HNNXBMFYSA-N 1 1 225.335 3.237 20 30 BGEDMO C#CC[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000839128635 585093721 /nfs/dbraw/zinc/09/37/21/585093721.db2.gz HMZLYMBTOJCOKE-OAHLLOKOSA-N 1 1 225.335 3.237 20 30 BGEDMO C#CCC[N@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000839172072 585096265 /nfs/dbraw/zinc/09/62/65/585096265.db2.gz BIJTYXXSFGXXCI-CVEARBPZSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CCC[N@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000839172073 585096528 /nfs/dbraw/zinc/09/65/28/585096528.db2.gz BIJTYXXSFGXXCI-HOTGVXAUSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CCC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000839172074 585096400 /nfs/dbraw/zinc/09/64/00/585096400.db2.gz BIJTYXXSFGXXCI-HZPDHXFCSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CCC[N@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000839172075 585096498 /nfs/dbraw/zinc/09/64/98/585096498.db2.gz BIJTYXXSFGXXCI-JKSUJKDBSA-N 1 1 227.351 3.278 20 30 BGEDMO C#CCCC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000839173721 585096447 /nfs/dbraw/zinc/09/64/47/585096447.db2.gz WODSLBCNZFGWTL-UHFFFAOYSA-N 1 1 233.742 3.112 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000839192045 585097467 /nfs/dbraw/zinc/09/74/67/585097467.db2.gz HDAAMNZRZVNRRD-LLVKDONJSA-N 1 1 241.737 3.441 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000839192046 585097424 /nfs/dbraw/zinc/09/74/24/585097424.db2.gz HDAAMNZRZVNRRD-NSHDSACASA-N 1 1 241.737 3.441 20 30 BGEDMO C#CCCC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000839194448 585097989 /nfs/dbraw/zinc/09/79/89/585097989.db2.gz QHAOOLLEDGXDRT-UHFFFAOYSA-N 1 1 219.715 3.069 20 30 BGEDMO C#CCCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000839194448 585097988 /nfs/dbraw/zinc/09/79/88/585097988.db2.gz QHAOOLLEDGXDRT-UHFFFAOYSA-N 1 1 219.715 3.069 20 30 BGEDMO C#CCCC[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000839195018 585097658 /nfs/dbraw/zinc/09/76/58/585097658.db2.gz FCLNLSLJYADUON-CYBMUJFWSA-N 1 1 233.330 3.102 20 30 BGEDMO C#CCCC[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000839195019 585097812 /nfs/dbraw/zinc/09/78/12/585097812.db2.gz FCLNLSLJYADUON-ZDUSSCGKSA-N 1 1 233.330 3.102 20 30 BGEDMO C[C@H](CCC#N)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000839463451 585105305 /nfs/dbraw/zinc/10/53/05/585105305.db2.gz YGOILFVMHZESCX-CHWSQXEVSA-N 1 1 228.339 3.298 20 30 BGEDMO C[C@@H](CCC#N)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000839463452 585105275 /nfs/dbraw/zinc/10/52/75/585105275.db2.gz YGOILFVMHZESCX-OLZOCXBDSA-N 1 1 228.339 3.298 20 30 BGEDMO C[C@H](CCC#N)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000839463453 585105291 /nfs/dbraw/zinc/10/52/91/585105291.db2.gz YGOILFVMHZESCX-QWHCGFSZSA-N 1 1 228.339 3.298 20 30 BGEDMO C[C@@H](CCC#N)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000839463454 585105437 /nfs/dbraw/zinc/10/54/37/585105437.db2.gz YGOILFVMHZESCX-STQMWFEESA-N 1 1 228.339 3.298 20 30 BGEDMO Cc1cccc2c1CC[N@H+]([C@H](C)CCC#N)C2 ZINC000839481606 585105068 /nfs/dbraw/zinc/10/50/68/585105068.db2.gz WLFKBGCPFYGDEU-CYBMUJFWSA-N 1 1 228.339 3.045 20 30 BGEDMO Cc1cccc2c1CC[N@H+]([C@@H](C)CCC#N)C2 ZINC000839481609 585105033 /nfs/dbraw/zinc/10/50/33/585105033.db2.gz WLFKBGCPFYGDEU-ZDUSSCGKSA-N 1 1 228.339 3.045 20 30 BGEDMO C=C(Cl)C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000839517958 644559699 /nfs/dbraw/zinc/55/96/99/644559699.db2.gz WGAQHZOKMJGRNF-UHFFFAOYSA-N 1 1 225.694 3.157 20 30 BGEDMO C=C(Cl)C[NH2+]C1(c2ccccc2)CC1 ZINC000839539048 585329896 /nfs/dbraw/zinc/32/98/96/585329896.db2.gz HZMVCXBTTBMRSN-UHFFFAOYSA-N 1 1 207.704 3.018 20 30 BGEDMO C=C(Cl)C[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000839540239 585329903 /nfs/dbraw/zinc/32/99/03/585329903.db2.gz JHYYHWSBLCGECB-UHFFFAOYSA-N 1 1 237.730 3.026 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](c1ccccn1)C(C)C ZINC000839543416 585330092 /nfs/dbraw/zinc/33/00/92/585330092.db2.gz DRFANDJIGXKCNK-GFCCVEGCSA-N 1 1 224.735 3.121 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](c1ccccn1)C(C)C ZINC000839543419 585330035 /nfs/dbraw/zinc/33/00/35/585330035.db2.gz DRFANDJIGXKCNK-LBPRGKRZSA-N 1 1 224.735 3.121 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](CC)c1c(C)noc1C ZINC000839550904 585330443 /nfs/dbraw/zinc/33/04/43/585330443.db2.gz ADTMKQWDLICCRZ-JTQLQIEISA-N 1 1 228.723 3.085 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](CC)c1c(C)noc1C ZINC000839550982 585330350 /nfs/dbraw/zinc/33/03/50/585330350.db2.gz ADTMKQWDLICCRZ-SNVBAGLBSA-N 1 1 228.723 3.085 20 30 BGEDMO C[C@H]([NH2+]CCC#N)c1csc2ccccc12 ZINC000839553770 585329787 /nfs/dbraw/zinc/32/97/87/585329787.db2.gz SADBGPTVDNAHSO-JTQLQIEISA-N 1 1 230.336 3.466 20 30 BGEDMO C[C@@H]([NH2+]CCC#N)c1csc2ccccc12 ZINC000839553771 585329628 /nfs/dbraw/zinc/32/96/28/585329628.db2.gz SADBGPTVDNAHSO-SNVBAGLBSA-N 1 1 230.336 3.466 20 30 BGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000839555412 585329639 /nfs/dbraw/zinc/32/96/39/585329639.db2.gz CUTVZFQMVFZMNG-GWCFXTLKSA-N 1 1 236.746 3.217 20 30 BGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000839555412 585329638 /nfs/dbraw/zinc/32/96/38/585329638.db2.gz CUTVZFQMVFZMNG-GWCFXTLKSA-N 1 1 236.746 3.217 20 30 BGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000839555413 585329608 /nfs/dbraw/zinc/32/96/08/585329608.db2.gz CUTVZFQMVFZMNG-GXFFZTMASA-N 1 1 236.746 3.217 20 30 BGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000839555413 585329607 /nfs/dbraw/zinc/32/96/07/585329607.db2.gz CUTVZFQMVFZMNG-GXFFZTMASA-N 1 1 236.746 3.217 20 30 BGEDMO C=C(Cl)C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000839555414 585329758 /nfs/dbraw/zinc/32/97/58/585329758.db2.gz CUTVZFQMVFZMNG-MFKMUULPSA-N 1 1 236.746 3.217 20 30 BGEDMO C=C(Cl)C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000839555414 585329757 /nfs/dbraw/zinc/32/97/57/585329757.db2.gz CUTVZFQMVFZMNG-MFKMUULPSA-N 1 1 236.746 3.217 20 30 BGEDMO C=C(Cl)C[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000839555415 585329761 /nfs/dbraw/zinc/32/97/61/585329761.db2.gz CUTVZFQMVFZMNG-ZWNOBZJWSA-N 1 1 236.746 3.217 20 30 BGEDMO C=C(Cl)C[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000839555415 585329760 /nfs/dbraw/zinc/32/97/60/585329760.db2.gz CUTVZFQMVFZMNG-ZWNOBZJWSA-N 1 1 236.746 3.217 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000839575973 585330562 /nfs/dbraw/zinc/33/05/62/585330562.db2.gz XAPSZQAVAXNICT-GXSJLCMTSA-N 1 1 201.741 3.249 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000839575978 585330651 /nfs/dbraw/zinc/33/06/51/585330651.db2.gz XAPSZQAVAXNICT-KOLCDFICSA-N 1 1 201.741 3.249 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000839575980 585330482 /nfs/dbraw/zinc/33/04/82/585330482.db2.gz XAPSZQAVAXNICT-MWLCHTKSSA-N 1 1 201.741 3.249 20 30 BGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000839575982 585330699 /nfs/dbraw/zinc/33/06/99/585330699.db2.gz XAPSZQAVAXNICT-ONGXEEELSA-N 1 1 201.741 3.249 20 30 BGEDMO C#CC(C)(C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000839580894 585331131 /nfs/dbraw/zinc/33/11/31/585331131.db2.gz LWGIFVYPHCJOCH-UHFFFAOYSA-N 1 1 232.371 3.194 20 30 BGEDMO C#CC(C)(C)[N@@H+](C)C/C=C/c1ccccc1 ZINC000839581445 585331128 /nfs/dbraw/zinc/33/11/28/585331128.db2.gz SKBOTGYIGBUEKS-FMIVXFBMSA-N 1 1 213.324 3.043 20 30 BGEDMO C#CC(C)(C)[N@@H+](C)C/C=C\c1ccccc1 ZINC000839581452 585330921 /nfs/dbraw/zinc/33/09/21/585330921.db2.gz SKBOTGYIGBUEKS-XFXZXTDPSA-N 1 1 213.324 3.043 20 30 BGEDMO C=C(Cl)C[NH2+]C(C)(C)c1ccccc1F ZINC000839607177 585331802 /nfs/dbraw/zinc/33/18/02/585331802.db2.gz DLSBVOWJXBKSHC-UHFFFAOYSA-N 1 1 227.710 3.403 20 30 BGEDMO C=C(Cl)C[N@H+]1CCSC2(CCC2)CC1 ZINC000839625955 585332576 /nfs/dbraw/zinc/33/25/76/585332576.db2.gz YSYMYUARBHUZTA-UHFFFAOYSA-N 1 1 231.792 3.101 20 30 BGEDMO CCCCCCC[N@H+]1CCCc2c(cnn2C)C1 ZINC000839627575 585332812 /nfs/dbraw/zinc/33/28/12/585332812.db2.gz JVPMLIOZIZKAIO-UHFFFAOYSA-N 1 1 249.402 3.139 20 30 BGEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000839646674 585335136 /nfs/dbraw/zinc/33/51/36/585335136.db2.gz OPQJSQXEOVDDHW-INIZCTEOSA-N 1 1 239.362 3.279 20 30 BGEDMO C#CCC[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000839646676 585335039 /nfs/dbraw/zinc/33/50/39/585335039.db2.gz OPQJSQXEOVDDHW-MRXNPFEDSA-N 1 1 239.362 3.279 20 30 BGEDMO C=C(Br)C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000839659445 585333890 /nfs/dbraw/zinc/33/38/90/585333890.db2.gz DTTOBQBWIZKFIG-SECBINFHSA-N 1 1 232.165 3.015 20 30 BGEDMO C=C(Br)C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000839659446 585333826 /nfs/dbraw/zinc/33/38/26/585333826.db2.gz DTTOBQBWIZKFIG-VIFPVBQESA-N 1 1 232.165 3.015 20 30 BGEDMO C=C(Br)C[N@H+](CC)C1CC(C)(C)C1 ZINC000839662458 585334241 /nfs/dbraw/zinc/33/42/41/585334241.db2.gz CFKIAINWIPZXRU-UHFFFAOYSA-N 1 1 246.192 3.406 20 30 BGEDMO C=C(Cl)C[N@H+](CC)C1CC(C)(C)C1 ZINC000839666422 585334419 /nfs/dbraw/zinc/33/44/19/585334419.db2.gz REGCILOVLDDMNB-UHFFFAOYSA-N 1 1 201.741 3.249 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000839669266 585336363 /nfs/dbraw/zinc/33/63/63/585336363.db2.gz NHWXRRZJPYOURA-KBPBESRZSA-N 1 1 227.392 3.050 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000839669267 585336237 /nfs/dbraw/zinc/33/62/37/585336237.db2.gz NHWXRRZJPYOURA-KGLIPLIRSA-N 1 1 227.392 3.050 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000839669268 585336112 /nfs/dbraw/zinc/33/61/12/585336112.db2.gz NHWXRRZJPYOURA-UONOGXRCSA-N 1 1 227.392 3.050 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000839669269 585336156 /nfs/dbraw/zinc/33/61/56/585336156.db2.gz NHWXRRZJPYOURA-ZIAGYGMSSA-N 1 1 227.392 3.050 20 30 BGEDMO C=C(Br)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000839676320 585336818 /nfs/dbraw/zinc/33/68/18/585336818.db2.gz KZVKURFYEQJPCG-LLVKDONJSA-N 1 1 244.176 3.017 20 30 BGEDMO C=C(Br)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000839676322 585336579 /nfs/dbraw/zinc/33/65/79/585336579.db2.gz KZVKURFYEQJPCG-NSHDSACASA-N 1 1 244.176 3.017 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840935721 587930596 /nfs/dbraw/zinc/93/05/96/587930596.db2.gz BMGFXIONLPFFCC-UHFFFAOYSA-N 1 1 239.746 3.362 20 30 BGEDMO C=C(C)C[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840937450 587930618 /nfs/dbraw/zinc/93/06/18/587930618.db2.gz TUIVCKIXLJILFZ-UHFFFAOYSA-N 1 1 232.371 3.069 20 30 BGEDMO C=CC[N@H+](Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000840939689 587930851 /nfs/dbraw/zinc/93/08/51/587930851.db2.gz ODEUXRXSQKUHNU-UHFFFAOYSA-N 1 1 244.382 3.211 20 30 BGEDMO C=CCC[N@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840939815 587930488 /nfs/dbraw/zinc/93/04/88/587930488.db2.gz QXPSUJBIUNBBIU-UHFFFAOYSA-N 1 1 239.746 3.362 20 30 BGEDMO C=CCC[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840940270 587930482 /nfs/dbraw/zinc/93/04/82/587930482.db2.gz WSXGHVHIQWZUME-UHFFFAOYSA-N 1 1 232.371 3.069 20 30 BGEDMO C#CC[N@H+](Cc1ccoc1C)Cc1ccccc1 ZINC000840946951 587931171 /nfs/dbraw/zinc/93/11/71/587931171.db2.gz YGJUULFUWIBRNE-UHFFFAOYSA-N 1 1 239.318 3.223 20 30 BGEDMO C#CC[N@@H+](Cc1ccoc1C)Cc1ccccc1 ZINC000840946951 587931170 /nfs/dbraw/zinc/93/11/70/587931170.db2.gz YGJUULFUWIBRNE-UHFFFAOYSA-N 1 1 239.318 3.223 20 30 BGEDMO CC([NH2+]Nc1ccc(F)cc1F)=C1CC1(F)F ZINC000841602460 644877998 /nfs/dbraw/zinc/87/79/98/644877998.db2.gz AIVBYLBUARUENG-MRVPVSSYSA-N 1 1 246.207 3.408 20 30 BGEDMO CC([NH2+]Nc1ccc(F)cc1F)=C1CC1(F)F ZINC000841602471 644877699 /nfs/dbraw/zinc/87/76/99/644877699.db2.gz AIVBYLBUARUENG-QMMMGPOBSA-N 1 1 246.207 3.408 20 30 BGEDMO CC([NH2+]Nc1ccccc1F)=C1CC1(F)F ZINC000841615976 587960059 /nfs/dbraw/zinc/96/00/59/587960059.db2.gz IGXSFMOVYOZPQB-MRVPVSSYSA-N 1 1 228.217 3.269 20 30 BGEDMO CC([NH2+]Nc1ccccc1F)=C1CC1(F)F ZINC000841615977 587960345 /nfs/dbraw/zinc/96/03/45/587960345.db2.gz IGXSFMOVYOZPQB-QMMMGPOBSA-N 1 1 228.217 3.269 20 30 BGEDMO CC(NNc1[nH+]cccc1Cl)=C1CC1(F)F ZINC000841619085 587960733 /nfs/dbraw/zinc/96/07/33/587960733.db2.gz KMOXNPXZGLXWPU-SSDOTTSWSA-N 1 1 245.660 3.178 20 30 BGEDMO CC(NNc1[nH+]cccc1Cl)=C1CC1(F)F ZINC000841619086 587960576 /nfs/dbraw/zinc/96/05/76/587960576.db2.gz KMOXNPXZGLXWPU-ZETCQYMHSA-N 1 1 245.660 3.178 20 30 BGEDMO CC([NH2+]Nc1cc(F)cc(F)c1)=C1CC1(F)F ZINC000841621198 587961229 /nfs/dbraw/zinc/96/12/29/587961229.db2.gz VXAZYAOONSUWEQ-JTQLQIEISA-N 1 1 246.207 3.408 20 30 BGEDMO CC([NH2+]Nc1cc(F)cc(F)c1)=C1CC1(F)F ZINC000841621199 587961005 /nfs/dbraw/zinc/96/10/05/587961005.db2.gz VXAZYAOONSUWEQ-SNVBAGLBSA-N 1 1 246.207 3.408 20 30 BGEDMO CC([NH2+]Nc1cccc(F)c1F)=C1CC1(F)F ZINC000841623952 587961133 /nfs/dbraw/zinc/96/11/33/587961133.db2.gz ANKDUVNKHIPADB-SSDOTTSWSA-N 1 1 246.207 3.408 20 30 BGEDMO CC([NH2+]Nc1cccc(F)c1F)=C1CC1(F)F ZINC000841623953 587961192 /nfs/dbraw/zinc/96/11/92/587961192.db2.gz ANKDUVNKHIPADB-ZETCQYMHSA-N 1 1 246.207 3.408 20 30 BGEDMO CC([NH2+]Nc1ccc(Cl)nc1)=C1CC1(F)F ZINC000841628228 587961638 /nfs/dbraw/zinc/96/16/38/587961638.db2.gz QHWTVZMXVZQZPE-MRVPVSSYSA-N 1 1 245.660 3.178 20 30 BGEDMO CC([NH2+]Nc1ccc(Cl)nc1)=C1CC1(F)F ZINC000841628229 587961691 /nfs/dbraw/zinc/96/16/91/587961691.db2.gz QHWTVZMXVZQZPE-QMMMGPOBSA-N 1 1 245.660 3.178 20 30 BGEDMO C#CCCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841754815 587974389 /nfs/dbraw/zinc/97/43/89/587974389.db2.gz LRGNWIUUDKQMCF-JTQLQIEISA-N 1 1 237.730 3.110 20 30 BGEDMO C#CCCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841754816 587974346 /nfs/dbraw/zinc/97/43/46/587974346.db2.gz LRGNWIUUDKQMCF-SNVBAGLBSA-N 1 1 237.730 3.110 20 30 BGEDMO C=CCCCCO[NH+]=C(N)C1CCCC1 ZINC000842020730 587989509 /nfs/dbraw/zinc/98/95/09/587989509.db2.gz DMYYBKZSRPJXRL-UHFFFAOYSA-N 1 1 210.321 3.031 20 30 BGEDMO N#CC1(CCO[NH+]=C(N)CC2CC2)CCCCC1 ZINC000842033483 584012943 /nfs/dbraw/zinc/01/29/43/584012943.db2.gz VWPKBHNHOYOLAL-UHFFFAOYSA-N 1 1 249.358 3.149 20 30 BGEDMO N#CC1(CO[NH+]=C(N)C2CCCCCC2)CCC1 ZINC000842034970 587991532 /nfs/dbraw/zinc/99/15/32/587991532.db2.gz GGRAUHMBCUAUEK-UHFFFAOYSA-N 1 1 249.358 3.149 20 30 BGEDMO C#CCC[N@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000842166355 588005331 /nfs/dbraw/zinc/00/53/31/588005331.db2.gz KLMFQQLCHPPELC-CHWSQXEVSA-N 1 1 207.361 3.156 20 30 BGEDMO C#CCC[N@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000842166366 588005207 /nfs/dbraw/zinc/00/52/07/588005207.db2.gz KLMFQQLCHPPELC-OLZOCXBDSA-N 1 1 207.361 3.156 20 30 BGEDMO C#CCC[N@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000842166368 588005833 /nfs/dbraw/zinc/00/58/33/588005833.db2.gz KLMFQQLCHPPELC-QWHCGFSZSA-N 1 1 207.361 3.156 20 30 BGEDMO C#CCC[N@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000842166370 588003248 /nfs/dbraw/zinc/00/32/48/588003248.db2.gz KLMFQQLCHPPELC-STQMWFEESA-N 1 1 207.361 3.156 20 30 BGEDMO C=C(Cl)CSCCCn1cc[nH+]c1C ZINC000842197882 588007001 /nfs/dbraw/zinc/00/70/01/588007001.db2.gz WVUCMSBIIQYPIM-UHFFFAOYSA-N 1 1 230.764 3.067 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842474897 588028770 /nfs/dbraw/zinc/02/87/70/588028770.db2.gz FKSOSFGMULPSLP-HNNXBMFYSA-N 1 1 238.419 3.032 20 30 BGEDMO CCCCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842474898 588029403 /nfs/dbraw/zinc/02/94/03/588029403.db2.gz FKSOSFGMULPSLP-OAHLLOKOSA-N 1 1 238.419 3.032 20 30 BGEDMO CCCO[NH+]=C(CC)c1ccc(Cl)c(N)c1 ZINC000842550444 584948051 /nfs/dbraw/zinc/94/80/51/584948051.db2.gz GFVBWQJTKCGSRO-UHFFFAOYSA-N 1 1 240.734 3.463 20 30 BGEDMO CCCO[NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000842551295 584966003 /nfs/dbraw/zinc/96/60/03/584966003.db2.gz QAIOJHAIDLPAQY-UHFFFAOYSA-N 1 1 226.707 3.073 20 30 BGEDMO CCCO[NH+]=C(C)c1ccc(N)cc1Cl ZINC000842552790 584990697 /nfs/dbraw/zinc/99/06/97/584990697.db2.gz GHSFYLVQXZJYIO-UHFFFAOYSA-N 1 1 226.707 3.073 20 30 BGEDMO CCCO[NH+]=C(C)c1ccc(F)cc1N(C)C ZINC000842557174 585021702 /nfs/dbraw/zinc/02/17/02/585021702.db2.gz OURKGVNSSDMGAQ-UHFFFAOYSA-N 1 1 238.306 3.042 20 30 BGEDMO C#CCS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000842618370 588046168 /nfs/dbraw/zinc/04/61/68/588046168.db2.gz RGUKXZNLGPOSLX-HNNXBMFYSA-N 1 1 245.391 3.017 20 30 BGEDMO C#CCS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000842618393 588045197 /nfs/dbraw/zinc/04/51/97/588045197.db2.gz RGUKXZNLGPOSLX-OAHLLOKOSA-N 1 1 245.391 3.017 20 30 BGEDMO CCCCCCCCCCc1nc(C[NH3+])no1 ZINC000842650788 588048777 /nfs/dbraw/zinc/04/87/77/588048777.db2.gz JRXYTGDFSJQYBO-UHFFFAOYSA-N 1 1 239.363 3.212 20 30 BGEDMO CCCCCCCSC[C@H]1C[N@@H+](C)CCO1 ZINC000842653275 588049370 /nfs/dbraw/zinc/04/93/70/588049370.db2.gz IWTPCSMXDMDGPY-CYBMUJFWSA-N 1 1 245.432 3.021 20 30 BGEDMO CCCCCCCSC[C@H]1C[N@H+](C)CCO1 ZINC000842653275 588049369 /nfs/dbraw/zinc/04/93/69/588049369.db2.gz IWTPCSMXDMDGPY-CYBMUJFWSA-N 1 1 245.432 3.021 20 30 BGEDMO CCCCCCCSC[C@@H]1C[N@@H+](C)CCO1 ZINC000842653276 588049271 /nfs/dbraw/zinc/04/92/71/588049271.db2.gz IWTPCSMXDMDGPY-ZDUSSCGKSA-N 1 1 245.432 3.021 20 30 BGEDMO CCCCCCCSC[C@@H]1C[N@H+](C)CCO1 ZINC000842653276 588049269 /nfs/dbraw/zinc/04/92/69/588049269.db2.gz IWTPCSMXDMDGPY-ZDUSSCGKSA-N 1 1 245.432 3.021 20 30 BGEDMO C=CC[N@@H+](Cc1cccc2c1NCC2)C(C)C ZINC000843060071 588078173 /nfs/dbraw/zinc/07/81/73/588078173.db2.gz BYMZMTRAZSSYEH-UHFFFAOYSA-N 1 1 230.355 3.051 20 30 BGEDMO CCCCCCC[N@@H+](C1CC1)C1CCNCC1 ZINC000843345368 588102156 /nfs/dbraw/zinc/10/21/56/588102156.db2.gz DAXMSUJFTKDXED-UHFFFAOYSA-N 1 1 238.419 3.173 20 30 BGEDMO CCCCCCC[N@H+](C1CC1)C1CCNCC1 ZINC000843345368 588102155 /nfs/dbraw/zinc/10/21/55/588102155.db2.gz DAXMSUJFTKDXED-UHFFFAOYSA-N 1 1 238.419 3.173 20 30 BGEDMO C#CC[C@@H]1CCC[N@H+](CC2(SC)CCC2)C1 ZINC000843422619 588108091 /nfs/dbraw/zinc/10/80/91/588108091.db2.gz HEUAHKQUNAQDCN-CYBMUJFWSA-N 1 1 237.412 3.007 20 30 BGEDMO C#CC[C@H]1CCC[N@H+](CC2(SC)CCC2)C1 ZINC000843422637 588108101 /nfs/dbraw/zinc/10/81/01/588108101.db2.gz HEUAHKQUNAQDCN-ZDUSSCGKSA-N 1 1 237.412 3.007 20 30 BGEDMO C#CC[C@@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC000843422933 588107855 /nfs/dbraw/zinc/10/78/55/588107855.db2.gz JLSQTUMDUBJOBJ-CYBMUJFWSA-N 1 1 233.380 3.292 20 30 BGEDMO C#CC[C@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC000843422934 588108032 /nfs/dbraw/zinc/10/80/32/588108032.db2.gz JLSQTUMDUBJOBJ-ZDUSSCGKSA-N 1 1 233.380 3.292 20 30 BGEDMO C#CC[C@H]1CCC[N@H+](CC2(OC)CCCCC2)C1 ZINC000843422964 643364271 /nfs/dbraw/zinc/36/42/71/643364271.db2.gz KCVFRCVQUMAEAO-HNNXBMFYSA-N 1 1 249.398 3.071 20 30 BGEDMO C#CC[C@@H]1CCC[N@H+](CC2(OC)CCCCC2)C1 ZINC000843422969 643363973 /nfs/dbraw/zinc/36/39/73/643363973.db2.gz KCVFRCVQUMAEAO-OAHLLOKOSA-N 1 1 249.398 3.071 20 30 BGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccsc2C)C1 ZINC000843423644 588107968 /nfs/dbraw/zinc/10/79/68/588107968.db2.gz QFHBZSDLVLAPRV-CYBMUJFWSA-N 1 1 233.380 3.292 20 30 BGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccsc2C)C1 ZINC000843423646 588108060 /nfs/dbraw/zinc/10/80/60/588108060.db2.gz QFHBZSDLVLAPRV-ZDUSSCGKSA-N 1 1 233.380 3.292 20 30 BGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(C)s2)C1 ZINC000843423669 588107662 /nfs/dbraw/zinc/10/76/62/588107662.db2.gz HWXCEIVUKSIYNX-CYBMUJFWSA-N 1 1 233.380 3.292 20 30 BGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(C)s2)C1 ZINC000843423670 588107660 /nfs/dbraw/zinc/10/76/60/588107660.db2.gz HWXCEIVUKSIYNX-ZDUSSCGKSA-N 1 1 233.380 3.292 20 30 BGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000843423677 588107962 /nfs/dbraw/zinc/10/79/62/588107962.db2.gz HYNAHAOPWBXNEO-CABCVRRESA-N 1 1 217.356 3.078 20 30 BGEDMO C#CC[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000843423678 588107845 /nfs/dbraw/zinc/10/78/45/588107845.db2.gz HYNAHAOPWBXNEO-GJZGRUSLSA-N 1 1 217.356 3.078 20 30 BGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000843423679 588107658 /nfs/dbraw/zinc/10/76/58/588107658.db2.gz HYNAHAOPWBXNEO-HUUCEWRRSA-N 1 1 217.356 3.078 20 30 BGEDMO C#CC[C@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000843423680 588107805 /nfs/dbraw/zinc/10/78/05/588107805.db2.gz HYNAHAOPWBXNEO-LSDHHAIUSA-N 1 1 217.356 3.078 20 30 BGEDMO C#CC[C@@H]1CCC[N@H+](Cc2sccc2C)C1 ZINC000843423767 588108039 /nfs/dbraw/zinc/10/80/39/588108039.db2.gz JJVXFUPTKBZQQF-CYBMUJFWSA-N 1 1 233.380 3.292 20 30 BGEDMO C#CC[C@H]1CCC[N@H+](Cc2sccc2C)C1 ZINC000843423768 588108079 /nfs/dbraw/zinc/10/80/79/588108079.db2.gz JJVXFUPTKBZQQF-ZDUSSCGKSA-N 1 1 233.380 3.292 20 30 BGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(CC)o2)C1 ZINC000843423889 588108012 /nfs/dbraw/zinc/10/80/12/588108012.db2.gz LKEQBGQICRZCBL-CYBMUJFWSA-N 1 1 231.339 3.077 20 30 BGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(CC)o2)C1 ZINC000843423892 588107685 /nfs/dbraw/zinc/10/76/85/588107685.db2.gz LKEQBGQICRZCBL-ZDUSSCGKSA-N 1 1 231.339 3.077 20 30 BGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000843423908 588107814 /nfs/dbraw/zinc/10/78/14/588107814.db2.gz LKWXSEJSMGYUNK-LLVKDONJSA-N 1 1 237.730 3.168 20 30 BGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000843423909 588107673 /nfs/dbraw/zinc/10/76/73/588107673.db2.gz LKWXSEJSMGYUNK-NSHDSACASA-N 1 1 237.730 3.168 20 30 BGEDMO C#CC1CC[NH+](Cc2ncc(C(C)C)s2)CC1 ZINC000843426624 645291816 /nfs/dbraw/zinc/29/18/16/645291816.db2.gz CRPHJTALGSTEJY-UHFFFAOYSA-N 1 1 248.395 3.112 20 30 BGEDMO C#CC1CC[NH+](Cc2c(F)cc(C)cc2F)CC1 ZINC000843426683 645292186 /nfs/dbraw/zinc/29/21/86/645292186.db2.gz GJIFDTQITNPUHC-UHFFFAOYSA-N 1 1 249.304 3.118 20 30 BGEDMO C#CCCOc1ccc(C[N@H+](C)C(C)(C)C)cc1 ZINC000843430702 588108931 /nfs/dbraw/zinc/10/89/31/588108931.db2.gz DALVYRYFPRJWSG-UHFFFAOYSA-N 1 1 245.366 3.319 20 30 BGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C(C)(C)C)cc1 ZINC000843431816 588109222 /nfs/dbraw/zinc/10/92/22/588109222.db2.gz ZVVAOGUNTXDRDW-GFCCVEGCSA-N 1 1 246.354 3.208 20 30 BGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C(C)(C)C)cc1 ZINC000843431817 588109274 /nfs/dbraw/zinc/10/92/74/588109274.db2.gz ZVVAOGUNTXDRDW-LBPRGKRZSA-N 1 1 246.354 3.208 20 30 BGEDMO C=CC[N@H+](Cc1cc(OC(C)C)ccn1)C(C)C ZINC000844278505 645319544 /nfs/dbraw/zinc/31/95/44/645319544.db2.gz PAWUGPHTMKOXQA-UHFFFAOYSA-N 1 1 248.370 3.265 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)CCO[C@H](CC)c1ccccc1 ZINC000844325196 588185137 /nfs/dbraw/zinc/18/51/37/588185137.db2.gz UTXATXVUILPUMO-GDBMZVCRSA-N 1 1 245.366 3.108 20 30 BGEDMO C#C[C@H](C)[N@H+](C)CCO[C@H](CC)c1ccccc1 ZINC000844325197 588184860 /nfs/dbraw/zinc/18/48/60/588184860.db2.gz UTXATXVUILPUMO-GOEBONIOSA-N 1 1 245.366 3.108 20 30 BGEDMO C#C[C@H](C)[N@H+](C)CCO[C@@H](CC)c1ccccc1 ZINC000844325199 588184763 /nfs/dbraw/zinc/18/47/63/588184763.db2.gz UTXATXVUILPUMO-HOCLYGCPSA-N 1 1 245.366 3.108 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)CCO[C@@H](CC)c1ccccc1 ZINC000844325200 588185294 /nfs/dbraw/zinc/18/52/94/588185294.db2.gz UTXATXVUILPUMO-ZBFHGGJFSA-N 1 1 245.366 3.108 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000844358125 588187172 /nfs/dbraw/zinc/18/71/72/588187172.db2.gz VEGCRNOZRZIKKN-INIZCTEOSA-N 1 1 245.341 3.203 20 30 BGEDMO C#CCCC[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000844358126 588187213 /nfs/dbraw/zinc/18/72/13/588187213.db2.gz VEGCRNOZRZIKKN-MRXNPFEDSA-N 1 1 245.341 3.203 20 30 BGEDMO C#CCC[N@H+](C)[C@H](C)CSc1ccccc1 ZINC000844360587 645321708 /nfs/dbraw/zinc/32/17/08/645321708.db2.gz PCHPCCMTSQDZDY-CYBMUJFWSA-N 1 1 233.380 3.122 20 30 BGEDMO C#CCC[N@H+](C)[C@@H](C)CSc1ccccc1 ZINC000844360589 645320395 /nfs/dbraw/zinc/32/03/95/645320395.db2.gz PCHPCCMTSQDZDY-ZDUSSCGKSA-N 1 1 233.380 3.122 20 30 BGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC12CCCC2 ZINC000844361283 588187709 /nfs/dbraw/zinc/18/77/09/588187709.db2.gz VUHICRGSYWFKPG-UHFFFAOYSA-N 1 1 244.313 3.216 20 30 BGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC12CCCC2 ZINC000844361283 588187707 /nfs/dbraw/zinc/18/77/07/588187707.db2.gz VUHICRGSYWFKPG-UHFFFAOYSA-N 1 1 244.313 3.216 20 30 BGEDMO C=CCCC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844436950 588193307 /nfs/dbraw/zinc/19/33/07/588193307.db2.gz JKUWCWBKACYIMI-LLVKDONJSA-N 1 1 215.287 3.074 20 30 BGEDMO C=CCCC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844436951 588192724 /nfs/dbraw/zinc/19/27/24/588192724.db2.gz JKUWCWBKACYIMI-NSHDSACASA-N 1 1 215.287 3.074 20 30 BGEDMO C=CCCCC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439897 588193666 /nfs/dbraw/zinc/19/36/66/588193666.db2.gz AKPLOVDPUODKSB-GFCCVEGCSA-N 1 1 229.314 3.464 20 30 BGEDMO C=CCCCC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439900 588193947 /nfs/dbraw/zinc/19/39/47/588193947.db2.gz AKPLOVDPUODKSB-LBPRGKRZSA-N 1 1 229.314 3.464 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439968 588193942 /nfs/dbraw/zinc/19/39/42/588193942.db2.gz KFEAMQANOWDUNQ-LLVKDONJSA-N 1 1 215.287 3.074 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439970 588193870 /nfs/dbraw/zinc/19/38/70/588193870.db2.gz KFEAMQANOWDUNQ-NSHDSACASA-N 1 1 215.287 3.074 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442206 645331869 /nfs/dbraw/zinc/33/18/69/645331869.db2.gz WYAWGOPIBJQZDJ-LLVKDONJSA-N 1 1 215.287 3.074 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844442207 645332799 /nfs/dbraw/zinc/33/27/99/645332799.db2.gz WYAWGOPIBJQZDJ-NSHDSACASA-N 1 1 215.287 3.074 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442226 645332720 /nfs/dbraw/zinc/33/27/20/645332720.db2.gz XCZQGTGEHVOOEY-GFCCVEGCSA-N 1 1 242.313 3.047 20 30 BGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844442227 645332101 /nfs/dbraw/zinc/33/21/01/645332101.db2.gz XCZQGTGEHVOOEY-LBPRGKRZSA-N 1 1 242.313 3.047 20 30 BGEDMO CCCCCCCC[N@@H+](C)[C@H](C)CCO ZINC000844446875 588194554 /nfs/dbraw/zinc/19/45/54/588194554.db2.gz KMZZTGNYLOVCRH-CYBMUJFWSA-N 1 1 215.381 3.050 20 30 BGEDMO CCCCCCCC[N@@H+](C)[C@@H](C)CCO ZINC000844446877 588194666 /nfs/dbraw/zinc/19/46/66/588194666.db2.gz KMZZTGNYLOVCRH-ZDUSSCGKSA-N 1 1 215.381 3.050 20 30 BGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454435 588190715 /nfs/dbraw/zinc/19/07/15/588190715.db2.gz YTTOHKXXIJSKJJ-PHIMTYICSA-N 1 1 217.303 3.154 20 30 BGEDMO C#CCCC[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000844468769 588198280 /nfs/dbraw/zinc/19/82/80/588198280.db2.gz MLKVESWMFTYABW-CYBMUJFWSA-N 1 1 245.341 3.201 20 30 BGEDMO C#CCCC[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000844468771 588198042 /nfs/dbraw/zinc/19/80/42/588198042.db2.gz MLKVESWMFTYABW-ZDUSSCGKSA-N 1 1 245.341 3.201 20 30 BGEDMO C=C(C)CO[NH+]=C(C)c1ccc(N)cc1Cl ZINC000844618042 588208230 /nfs/dbraw/zinc/20/82/30/588208230.db2.gz HHWGYRBGQKKMMI-UHFFFAOYSA-N 1 1 238.718 3.239 20 30 BGEDMO C=C(C)CO[NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000844619819 582601096 /nfs/dbraw/zinc/60/10/96/582601096.db2.gz MEGXKVDZUBJHHT-UHFFFAOYSA-N 1 1 238.718 3.239 20 30 BGEDMO C=C[C@@H](C)O[NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000844620447 582602416 /nfs/dbraw/zinc/60/24/16/582602416.db2.gz LCHRXSZXPMKCHC-MRVPVSSYSA-N 1 1 238.718 3.237 20 30 BGEDMO C=C[C@H](C)O[NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000844620448 582602668 /nfs/dbraw/zinc/60/26/68/582602668.db2.gz LCHRXSZXPMKCHC-QMMMGPOBSA-N 1 1 238.718 3.237 20 30 BGEDMO C=C[C@@H](C)O[NH+]=C(C)c1ccc(N)cc1Cl ZINC000844621746 588209807 /nfs/dbraw/zinc/20/98/07/588209807.db2.gz MJIAKAFSBJDMFP-MRVPVSSYSA-N 1 1 238.718 3.237 20 30 BGEDMO C=C[C@H](C)O[NH+]=C(C)c1ccc(N)cc1Cl ZINC000844621747 588209796 /nfs/dbraw/zinc/20/97/96/588209796.db2.gz MJIAKAFSBJDMFP-QMMMGPOBSA-N 1 1 238.718 3.237 20 30 BGEDMO C=CC[N@@H+](Cc1cc2cnccc2o1)C(C)C ZINC000845903780 588250037 /nfs/dbraw/zinc/25/00/37/588250037.db2.gz HNLHKTKTWFLIOT-UHFFFAOYSA-N 1 1 230.311 3.224 20 30 BGEDMO C=CC[N@H+](Cc1ccc(OC)cc1F)C(C)C ZINC000845904640 588250065 /nfs/dbraw/zinc/25/00/65/588250065.db2.gz WEAAXMVTFYHITF-UHFFFAOYSA-N 1 1 237.318 3.231 20 30 BGEDMO C#Cc1ccc(C[N@H+]2CCC23CCCC3)cc1 ZINC000846000469 588253184 /nfs/dbraw/zinc/25/31/84/588253184.db2.gz RNJCFCMXPVFGGH-UHFFFAOYSA-N 1 1 225.335 3.186 20 30 BGEDMO Cc1cc(C[NH2+]CC2(C#N)CCCC2)c(C)o1 ZINC000846011782 588253322 /nfs/dbraw/zinc/25/33/22/588253322.db2.gz ZETIKMGPXRQRHC-UHFFFAOYSA-N 1 1 232.327 3.070 20 30 BGEDMO CC[N@@H+](CCNc1ccc(C#N)cc1C)C(C)C ZINC000846747453 588284504 /nfs/dbraw/zinc/28/45/04/588284504.db2.gz KCPRVNUNDGIGHE-UHFFFAOYSA-N 1 1 245.370 3.009 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1cnc(Cl)c(F)c1 ZINC000846768740 588286949 /nfs/dbraw/zinc/28/69/49/588286949.db2.gz QFFLRWANJOJBOA-UHFFFAOYSA-N 1 1 242.725 3.272 20 30 BGEDMO C=CC[NH+](CC=C)Cc1cnc(Cl)c(F)c1 ZINC000846769749 588287176 /nfs/dbraw/zinc/28/71/76/588287176.db2.gz PEWLVDRSDKVRLU-UHFFFAOYSA-N 1 1 240.709 3.048 20 30 BGEDMO C=CC[N@@H+](Cc1c(C)nsc1C)C(C)C ZINC000846776160 588287684 /nfs/dbraw/zinc/28/76/84/588287684.db2.gz LPPLGFDLGOIFSH-UHFFFAOYSA-N 1 1 224.373 3.156 20 30 BGEDMO C=CC[N@@H+](Cc1cnc(Cl)c(F)c1)C(C)C ZINC000846776418 588287754 /nfs/dbraw/zinc/28/77/54/588287754.db2.gz PTZWSVVRPXKCRF-UHFFFAOYSA-N 1 1 242.725 3.271 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846808187 588290008 /nfs/dbraw/zinc/29/00/08/588290008.db2.gz XCFSRGBTUSHFQF-UHFFFAOYSA-N 1 1 242.725 3.272 20 30 BGEDMO C#CC[N@H+](Cc1c(C)nsc1C)C1CCCC1 ZINC000846814702 588290777 /nfs/dbraw/zinc/29/07/77/588290777.db2.gz FJEIESCHJRPWBV-UHFFFAOYSA-N 1 1 248.395 3.138 20 30 BGEDMO C=CC[N@H+](Cc1cnc(Cl)c(F)c1)C1CC1 ZINC000846840567 588292722 /nfs/dbraw/zinc/29/27/22/588292722.db2.gz IBBHCMFREHQZLX-UHFFFAOYSA-N 1 1 240.709 3.025 20 30 BGEDMO C=CC[N@@H+](Cc1cnc(Cl)c(F)c1)C1CC1 ZINC000846840567 588292721 /nfs/dbraw/zinc/29/27/21/588292721.db2.gz IBBHCMFREHQZLX-UHFFFAOYSA-N 1 1 240.709 3.025 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(C(C)C)ccc1OC ZINC000846879036 588294759 /nfs/dbraw/zinc/29/47/59/588294759.db2.gz MIPCYWXLEPBUSN-CYBMUJFWSA-N 1 1 245.366 3.272 20 30 BGEDMO C#C[C@H](C)[N@H+](C)Cc1cc(C(C)C)ccc1OC ZINC000846879038 588294641 /nfs/dbraw/zinc/29/46/41/588294641.db2.gz MIPCYWXLEPBUSN-ZDUSSCGKSA-N 1 1 245.366 3.272 20 30 BGEDMO CCCCCCCC[N@H+]1CCN(C)C(C)(C)C1 ZINC000846893379 588296008 /nfs/dbraw/zinc/29/60/08/588296008.db2.gz WKHJNKVTOFUCTL-UHFFFAOYSA-N 1 1 240.435 3.373 20 30 BGEDMO CC#CC[N@@H+](C)Cc1ccccc1C1CC1 ZINC000846928042 588297314 /nfs/dbraw/zinc/29/73/14/588297314.db2.gz YHFGMIJFZKYUCR-UHFFFAOYSA-N 1 1 213.324 3.019 20 30 BGEDMO C#C[C@H]1CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000847017929 645417632 /nfs/dbraw/zinc/41/76/32/645417632.db2.gz FREXKQIUSVNDDK-BBRMVZONSA-N 1 1 225.335 3.019 20 30 BGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000847017930 645417854 /nfs/dbraw/zinc/41/78/54/645417854.db2.gz FREXKQIUSVNDDK-CJNGLKHVSA-N 1 1 225.335 3.019 20 30 BGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000847017931 645416455 /nfs/dbraw/zinc/41/64/55/645416455.db2.gz FREXKQIUSVNDDK-CZUORRHYSA-N 1 1 225.335 3.019 20 30 BGEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000847017932 645415459 /nfs/dbraw/zinc/41/54/59/645415459.db2.gz FREXKQIUSVNDDK-XJKSGUPXSA-N 1 1 225.335 3.019 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000847018225 645417695 /nfs/dbraw/zinc/41/76/95/645417695.db2.gz HSBTZLFKLHOMGV-GFCCVEGCSA-N 1 1 233.742 3.185 20 30 BGEDMO C#C[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000847018227 645415405 /nfs/dbraw/zinc/41/54/05/645415405.db2.gz HSBTZLFKLHOMGV-LBPRGKRZSA-N 1 1 233.742 3.185 20 30 BGEDMO C#C[C@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000847018311 645416364 /nfs/dbraw/zinc/41/63/64/645416364.db2.gz IZCVJXURTLVUNP-AWEZNQCLSA-N 1 1 232.371 3.052 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000847018312 645415473 /nfs/dbraw/zinc/41/54/73/645415473.db2.gz IZCVJXURTLVUNP-CQSZACIVSA-N 1 1 232.371 3.052 20 30 BGEDMO C#C[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000847018514 588302095 /nfs/dbraw/zinc/30/20/95/588302095.db2.gz KRNVJTKBLBFLGH-HNNXBMFYSA-N 1 1 244.382 3.196 20 30 BGEDMO C#C[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000847018516 588302035 /nfs/dbraw/zinc/30/20/35/588302035.db2.gz KRNVJTKBLBFLGH-OAHLLOKOSA-N 1 1 244.382 3.196 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000847019070 588302098 /nfs/dbraw/zinc/30/20/98/588302098.db2.gz OKSWKVDRRMHYAB-GFCCVEGCSA-N 1 1 249.304 3.469 20 30 BGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000847019071 588302284 /nfs/dbraw/zinc/30/22/84/588302284.db2.gz OKSWKVDRRMHYAB-LBPRGKRZSA-N 1 1 249.304 3.469 20 30 BGEDMO C#C[C@H]1CCC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000847019432 588301880 /nfs/dbraw/zinc/30/18/80/588301880.db2.gz QGHQHBUWERNOAS-BCTQVIJGSA-N 1 1 239.362 3.435 20 30 BGEDMO C#C[C@@H]1CCC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000847019433 588302184 /nfs/dbraw/zinc/30/21/84/588302184.db2.gz QGHQHBUWERNOAS-BDJZEXMMSA-N 1 1 239.362 3.435 20 30 BGEDMO C#C[C@@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000847019434 588301857 /nfs/dbraw/zinc/30/18/57/588301857.db2.gz QGHQHBUWERNOAS-HKUPYCBJSA-N 1 1 239.362 3.435 20 30 BGEDMO C#C[C@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000847019435 588301849 /nfs/dbraw/zinc/30/18/49/588301849.db2.gz QGHQHBUWERNOAS-RFKZRZAASA-N 1 1 239.362 3.435 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000847019549 588302370 /nfs/dbraw/zinc/30/23/70/588302370.db2.gz RIGDIGZHRFZKKW-GFCCVEGCSA-N 1 1 233.742 3.185 20 30 BGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000847019550 588302335 /nfs/dbraw/zinc/30/23/35/588302335.db2.gz RIGDIGZHRFZKKW-LBPRGKRZSA-N 1 1 233.742 3.185 20 30 BGEDMO C#C[C@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC000847020015 588302399 /nfs/dbraw/zinc/30/23/99/588302399.db2.gz VBWVLRMXXGCGOO-JTQLQIEISA-N 1 1 239.771 3.247 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC000847020016 588302411 /nfs/dbraw/zinc/30/24/11/588302411.db2.gz VBWVLRMXXGCGOO-SNVBAGLBSA-N 1 1 239.771 3.247 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000847020030 645415543 /nfs/dbraw/zinc/41/55/43/645415543.db2.gz VMCZIUKSFZWQKF-GFCCVEGCSA-N 1 1 241.325 3.157 20 30 BGEDMO C#C[C@H]1CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000847020031 645416634 /nfs/dbraw/zinc/41/66/34/645416634.db2.gz VMCZIUKSFZWQKF-LBPRGKRZSA-N 1 1 241.325 3.157 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000847020311 582674320 /nfs/dbraw/zinc/67/43/20/582674320.db2.gz YDRHZLJZKCZSCG-GFCCVEGCSA-N 1 1 233.742 3.185 20 30 BGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000847020312 582674316 /nfs/dbraw/zinc/67/43/16/582674316.db2.gz YDRHZLJZKCZSCG-LBPRGKRZSA-N 1 1 233.742 3.185 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccccc2SC)C1 ZINC000847020342 582674271 /nfs/dbraw/zinc/67/42/71/582674271.db2.gz AWFIVDSPHBIZLZ-CYBMUJFWSA-N 1 1 245.391 3.254 20 30 BGEDMO C#C[C@H]1CCC[N@H+](Cc2ccccc2SC)C1 ZINC000847020359 582674443 /nfs/dbraw/zinc/67/44/43/582674443.db2.gz AWFIVDSPHBIZLZ-ZDUSSCGKSA-N 1 1 245.391 3.254 20 30 BGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000847020950 588302510 /nfs/dbraw/zinc/30/25/10/588302510.db2.gz GXEDVXUPXVABBJ-KBPBESRZSA-N 1 1 243.350 3.101 20 30 BGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000847020951 588302519 /nfs/dbraw/zinc/30/25/19/588302519.db2.gz GXEDVXUPXVABBJ-KGLIPLIRSA-N 1 1 243.350 3.101 20 30 BGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000847020952 588303008 /nfs/dbraw/zinc/30/30/08/588303008.db2.gz GXEDVXUPXVABBJ-UONOGXRCSA-N 1 1 243.350 3.101 20 30 BGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000847020953 588302695 /nfs/dbraw/zinc/30/26/95/588302695.db2.gz GXEDVXUPXVABBJ-ZIAGYGMSSA-N 1 1 243.350 3.101 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000847021771 588302919 /nfs/dbraw/zinc/30/29/19/588302919.db2.gz OZKXVBGKEURDSC-GFCCVEGCSA-N 1 1 249.304 3.469 20 30 BGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000847021772 588302624 /nfs/dbraw/zinc/30/26/24/588302624.db2.gz OZKXVBGKEURDSC-LBPRGKRZSA-N 1 1 249.304 3.469 20 30 BGEDMO C#C[C@@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000847021846 588302774 /nfs/dbraw/zinc/30/27/74/588302774.db2.gz PWKSEXZXAXVRFW-CYBMUJFWSA-N 1 1 233.380 3.026 20 30 BGEDMO C#C[C@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000847021847 588302557 /nfs/dbraw/zinc/30/25/57/588302557.db2.gz PWKSEXZXAXVRFW-ZDUSSCGKSA-N 1 1 233.380 3.026 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000847022046 588302968 /nfs/dbraw/zinc/30/29/68/588302968.db2.gz ROJMNAQWEMSPCQ-LLVKDONJSA-N 1 1 233.277 3.064 20 30 BGEDMO C#C[C@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000847022047 588302516 /nfs/dbraw/zinc/30/25/16/588302516.db2.gz ROJMNAQWEMSPCQ-NSHDSACASA-N 1 1 233.277 3.064 20 30 BGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000847022096 588302659 /nfs/dbraw/zinc/30/26/59/588302659.db2.gz SDHBDLKCNHONSU-JTQLQIEISA-N 1 1 239.771 3.247 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000847022099 588302484 /nfs/dbraw/zinc/30/24/84/588302484.db2.gz SDHBDLKCNHONSU-SNVBAGLBSA-N 1 1 239.771 3.247 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000847022117 588302810 /nfs/dbraw/zinc/30/28/10/588302810.db2.gz SIVKRXNGIXLNET-CYBMUJFWSA-N 1 1 231.314 3.001 20 30 BGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000847022118 588302538 /nfs/dbraw/zinc/30/25/38/588302538.db2.gz SIVKRXNGIXLNET-ZDUSSCGKSA-N 1 1 231.314 3.001 20 30 BGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000847022260 588303278 /nfs/dbraw/zinc/30/32/78/588303278.db2.gz GNEYRTVBMCDBOE-CHWSQXEVSA-N 1 1 231.314 3.232 20 30 BGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000847022264 588303090 /nfs/dbraw/zinc/30/30/90/588303090.db2.gz GNEYRTVBMCDBOE-OLZOCXBDSA-N 1 1 231.314 3.232 20 30 BGEDMO 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CCCCCCC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000847060865 588305446 /nfs/dbraw/zinc/30/54/46/588305446.db2.gz YDJVTKUTVTWKHW-LLVKDONJSA-N 1 1 239.363 3.341 20 30 BGEDMO CCCCCCC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000847060867 588305394 /nfs/dbraw/zinc/30/53/94/588305394.db2.gz YDJVTKUTVTWKHW-NSHDSACASA-N 1 1 239.363 3.341 20 30 BGEDMO CCCCCCC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000847060867 588305393 /nfs/dbraw/zinc/30/53/93/588305393.db2.gz YDJVTKUTVTWKHW-NSHDSACASA-N 1 1 239.363 3.341 20 30 BGEDMO CCCCCCCC[N@@H+](C)Cc1nc(C)no1 ZINC000847086648 588305797 /nfs/dbraw/zinc/30/57/97/588305797.db2.gz OTHXPRREKAZREA-UHFFFAOYSA-N 1 1 239.363 3.170 20 30 BGEDMO CCCCCCCC[N@H+](C)Cc1nc(C)no1 ZINC000847086648 588305796 /nfs/dbraw/zinc/30/57/96/588305796.db2.gz OTHXPRREKAZREA-UHFFFAOYSA-N 1 1 239.363 3.170 20 30 BGEDMO c1ccc(N=NC2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848398894 588377400 /nfs/dbraw/zinc/37/74/00/588377400.db2.gz MFJUCHORQLIYOV-HNNXBMFYSA-N 1 1 243.354 3.103 20 30 BGEDMO c1ccc(N=NC2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848398906 588377426 /nfs/dbraw/zinc/37/74/26/588377426.db2.gz MFJUCHORQLIYOV-OAHLLOKOSA-N 1 1 243.354 3.103 20 30 BGEDMO Nc1c(F)cccc1C=[NH+]OC1CCCCC1 ZINC000848409029 588379533 /nfs/dbraw/zinc/37/95/33/588379533.db2.gz JOXVWKBFIAHBGE-UHFFFAOYSA-N 1 1 236.290 3.091 20 30 BGEDMO CC[C@H](C)CON=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848411211 588380236 /nfs/dbraw/zinc/38/02/36/588380236.db2.gz YHKYTDZIETZTHL-GXTWGEPZSA-N 1 1 238.375 3.053 20 30 BGEDMO CC[C@H](C)CON=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848411213 588379921 /nfs/dbraw/zinc/37/99/21/588379921.db2.gz YHKYTDZIETZTHL-JSGCOSHPSA-N 1 1 238.375 3.053 20 30 BGEDMO CC[C@@H](C)CON=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848411215 588379821 /nfs/dbraw/zinc/37/98/21/588379821.db2.gz YHKYTDZIETZTHL-OCCSQVGLSA-N 1 1 238.375 3.053 20 30 BGEDMO CC[C@@H](C)CON=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848411217 588380125 /nfs/dbraw/zinc/38/01/25/588380125.db2.gz YHKYTDZIETZTHL-TZMCWYRMSA-N 1 1 238.375 3.053 20 30 BGEDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCCC1(C#N)CCCCC1 ZINC000848519208 588390465 /nfs/dbraw/zinc/39/04/65/588390465.db2.gz LEHPGQAJDTYSQV-NEPJUHHUSA-N 1 1 249.358 3.005 20 30 BGEDMO C[C@H]1C[C@H]1C(N)=[NH+]OCCC1(C#N)CCCCC1 ZINC000848519211 588390425 /nfs/dbraw/zinc/39/04/25/588390425.db2.gz LEHPGQAJDTYSQV-NWDGAFQWSA-N 1 1 249.358 3.005 20 30 BGEDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCCC1(C#N)CCCCC1 ZINC000848519212 588390467 /nfs/dbraw/zinc/39/04/67/588390467.db2.gz LEHPGQAJDTYSQV-RYUDHWBXSA-N 1 1 249.358 3.005 20 30 BGEDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCCC1(C#N)CCCCC1 ZINC000848519217 588390352 /nfs/dbraw/zinc/39/03/52/588390352.db2.gz LEHPGQAJDTYSQV-VXGBXAGGSA-N 1 1 249.358 3.005 20 30 BGEDMO C=CCCCCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000848559561 588396940 /nfs/dbraw/zinc/39/69/40/588396940.db2.gz FNTFPPLXXIPACJ-CYBMUJFWSA-N 1 1 233.359 3.123 20 30 BGEDMO C=CCCCCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000848559562 588397152 /nfs/dbraw/zinc/39/71/52/588397152.db2.gz FNTFPPLXXIPACJ-ZDUSSCGKSA-N 1 1 233.359 3.123 20 30 BGEDMO C#C[C@@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000848749132 588410881 /nfs/dbraw/zinc/41/08/81/588410881.db2.gz CWJSIEHISAPBFF-LLVKDONJSA-N 1 1 242.347 3.146 20 30 BGEDMO C#C[C@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000848749133 588410810 /nfs/dbraw/zinc/41/08/10/588410810.db2.gz CWJSIEHISAPBFF-NSHDSACASA-N 1 1 242.347 3.146 20 30 BGEDMO C=C(C)C[N@H+](CC)Cc1cccc(CC)c1O ZINC000848876380 588416224 /nfs/dbraw/zinc/41/62/24/588416224.db2.gz HXZDKOXSGIUVLW-UHFFFAOYSA-N 1 1 233.355 3.353 20 30 BGEDMO CCc1cccc(C[N@@H+](CCC#N)C(C)C)c1O ZINC000848882535 588416356 /nfs/dbraw/zinc/41/63/56/588416356.db2.gz SHCIZNPVZLHWCJ-UHFFFAOYSA-N 1 1 246.354 3.079 20 30 BGEDMO CC(C)c1ccccc1C[N@H+](C)C[C@H](C)C#N ZINC000848882658 588415909 /nfs/dbraw/zinc/41/59/09/588415909.db2.gz XBSQQWLGBUGPKY-CYBMUJFWSA-N 1 1 230.355 3.401 20 30 BGEDMO CC(C)c1ccccc1C[N@@H+](C)C[C@H](C)C#N ZINC000848882658 588415907 /nfs/dbraw/zinc/41/59/07/588415907.db2.gz XBSQQWLGBUGPKY-CYBMUJFWSA-N 1 1 230.355 3.401 20 30 BGEDMO CC(C)c1ccccc1C[N@H+](C)C[C@@H](C)C#N ZINC000848882659 588416317 /nfs/dbraw/zinc/41/63/17/588416317.db2.gz XBSQQWLGBUGPKY-ZDUSSCGKSA-N 1 1 230.355 3.401 20 30 BGEDMO CC(C)c1ccccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000848882659 588416316 /nfs/dbraw/zinc/41/63/16/588416316.db2.gz XBSQQWLGBUGPKY-ZDUSSCGKSA-N 1 1 230.355 3.401 20 30 BGEDMO C=CC[N@H+](Cc1cccc(CC)c1O)C(C)C ZINC000848882694 588416343 /nfs/dbraw/zinc/41/63/43/588416343.db2.gz YEQOQPNDCOONAS-UHFFFAOYSA-N 1 1 233.355 3.351 20 30 BGEDMO C=CCCC[N@H+](C)Cc1cccc(CC)c1O ZINC000848887903 588418047 /nfs/dbraw/zinc/41/80/47/588418047.db2.gz HRNNLDDLBQBZGL-UHFFFAOYSA-N 1 1 233.355 3.353 20 30 BGEDMO CC(C)c1ccccc1C[NH2+]C[C@H](C)C#N ZINC000848902074 588418767 /nfs/dbraw/zinc/41/87/67/588418767.db2.gz JLSAFTYHNUBUOX-GFCCVEGCSA-N 1 1 216.328 3.059 20 30 BGEDMO CC(C)c1ccccc1C[NH2+]C[C@@H](C)C#N ZINC000848902075 588418466 /nfs/dbraw/zinc/41/84/66/588418466.db2.gz JLSAFTYHNUBUOX-LBPRGKRZSA-N 1 1 216.328 3.059 20 30 BGEDMO CC(C)c1ccccc1C[NH2+]CC1(C#N)CC1 ZINC000848908459 588419270 /nfs/dbraw/zinc/41/92/70/588419270.db2.gz VAELTRRXBQJRLZ-UHFFFAOYSA-N 1 1 228.339 3.203 20 30 BGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000848923203 588421431 /nfs/dbraw/zinc/42/14/31/588421431.db2.gz BHUNYGNUIZYYGX-CYBMUJFWSA-N 1 1 238.334 3.013 20 30 BGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000848923204 588421317 /nfs/dbraw/zinc/42/13/17/588421317.db2.gz BHUNYGNUIZYYGX-ZDUSSCGKSA-N 1 1 238.334 3.013 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(CC)s2)C1 ZINC000848923227 588421419 /nfs/dbraw/zinc/42/14/19/588421419.db2.gz BOYOCNVQTIZFNC-GFCCVEGCSA-N 1 1 233.380 3.156 20 30 BGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(CC)s2)C1 ZINC000848923228 588421416 /nfs/dbraw/zinc/42/14/16/588421416.db2.gz BOYOCNVQTIZFNC-LBPRGKRZSA-N 1 1 233.380 3.156 20 30 BGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000848923232 588421196 /nfs/dbraw/zinc/42/11/96/588421196.db2.gz BSHPNCPMYUXQII-CYBMUJFWSA-N 1 1 239.318 3.278 20 30 BGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000848923239 588421213 /nfs/dbraw/zinc/42/12/13/588421213.db2.gz BSHPNCPMYUXQII-ZDUSSCGKSA-N 1 1 239.318 3.278 20 30 BGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)Cc2ccsc2)C1 ZINC000848923645 712610323 /nfs/dbraw/zinc/61/03/23/712610323.db2.gz HWDSIISGKIZSGZ-CHWSQXEVSA-N 1 1 233.380 3.024 20 30 BGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)Cc2ccsc2)C1 ZINC000848923646 712610223 /nfs/dbraw/zinc/61/02/23/712610223.db2.gz HWDSIISGKIZSGZ-OLZOCXBDSA-N 1 1 233.380 3.024 20 30 BGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000848923647 712610310 /nfs/dbraw/zinc/61/03/10/712610310.db2.gz HWDSIISGKIZSGZ-QWHCGFSZSA-N 1 1 233.380 3.024 20 30 BGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000848923648 712610004 /nfs/dbraw/zinc/61/00/04/712610004.db2.gz HWDSIISGKIZSGZ-STQMWFEESA-N 1 1 233.380 3.024 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(F)cc(C)cc2F)C1 ZINC000848924542 645442704 /nfs/dbraw/zinc/44/27/04/645442704.db2.gz VADNHNBXTJVQOW-GFCCVEGCSA-N 1 1 249.304 3.118 20 30 BGEDMO C#C[C@@H]1CCC[N@@H+](Cc2c(F)cc(C)cc2F)C1 ZINC000848924542 645442702 /nfs/dbraw/zinc/44/27/02/645442702.db2.gz VADNHNBXTJVQOW-GFCCVEGCSA-N 1 1 249.304 3.118 20 30 BGEDMO C#C[C@H]1CCC[N@H+](Cc2c(F)cc(C)cc2F)C1 ZINC000848924543 645445055 /nfs/dbraw/zinc/44/50/55/645445055.db2.gz VADNHNBXTJVQOW-LBPRGKRZSA-N 1 1 249.304 3.118 20 30 BGEDMO C#C[C@H]1CCC[N@@H+](Cc2c(F)cc(C)cc2F)C1 ZINC000848924543 645445046 /nfs/dbraw/zinc/44/50/46/645445046.db2.gz VADNHNBXTJVQOW-LBPRGKRZSA-N 1 1 249.304 3.118 20 30 BGEDMO C#C[C@H]1CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000848924642 645443579 /nfs/dbraw/zinc/44/35/79/645443579.db2.gz XIMZRUPQELKIRY-JTQLQIEISA-N 1 1 239.771 3.247 20 30 BGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000848924642 645443575 /nfs/dbraw/zinc/44/35/75/645443575.db2.gz XIMZRUPQELKIRY-JTQLQIEISA-N 1 1 239.771 3.247 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000848924643 645445677 /nfs/dbraw/zinc/44/56/77/645445677.db2.gz XIMZRUPQELKIRY-SNVBAGLBSA-N 1 1 239.771 3.247 20 30 BGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000848924643 645445668 /nfs/dbraw/zinc/44/56/68/645445668.db2.gz XIMZRUPQELKIRY-SNVBAGLBSA-N 1 1 239.771 3.247 20 30 BGEDMO C#C[C@H]1CCC[N@H+](Cc2cscc2Cl)C1 ZINC000848924644 645445425 /nfs/dbraw/zinc/44/54/25/645445425.db2.gz XKZHMBMFAKKHRF-JTQLQIEISA-N 1 1 239.771 3.247 20 30 BGEDMO C#C[C@H]1CCC[N@@H+](Cc2cscc2Cl)C1 ZINC000848924644 645445422 /nfs/dbraw/zinc/44/54/22/645445422.db2.gz XKZHMBMFAKKHRF-JTQLQIEISA-N 1 1 239.771 3.247 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](Cc2cscc2Cl)C1 ZINC000848924645 645443804 /nfs/dbraw/zinc/44/38/04/645443804.db2.gz XKZHMBMFAKKHRF-SNVBAGLBSA-N 1 1 239.771 3.247 20 30 BGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cscc2Cl)C1 ZINC000848924645 645443797 /nfs/dbraw/zinc/44/37/97/645443797.db2.gz XKZHMBMFAKKHRF-SNVBAGLBSA-N 1 1 239.771 3.247 20 30 BGEDMO C#C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000848924654 645444352 /nfs/dbraw/zinc/44/43/52/645444352.db2.gz XQTBBCDARAYFPZ-DJIMGWMZSA-N 1 1 239.362 3.135 20 30 BGEDMO C#C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000848924655 645443125 /nfs/dbraw/zinc/44/31/25/645443125.db2.gz XQTBBCDARAYFPZ-HYVNUMGLSA-N 1 1 239.362 3.135 20 30 BGEDMO C#C[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000848924656 645444198 /nfs/dbraw/zinc/44/41/98/645444198.db2.gz XQTBBCDARAYFPZ-OIISXLGYSA-N 1 1 239.362 3.135 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000848924741 645442854 /nfs/dbraw/zinc/44/28/54/645442854.db2.gz ZFFNRNXIXJLFNS-GFCCVEGCSA-N 1 1 248.395 3.112 20 30 BGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC000848924741 645442851 /nfs/dbraw/zinc/44/28/51/645442851.db2.gz ZFFNRNXIXJLFNS-GFCCVEGCSA-N 1 1 248.395 3.112 20 30 BGEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000848924742 645443788 /nfs/dbraw/zinc/44/37/88/645443788.db2.gz ZFFNRNXIXJLFNS-LBPRGKRZSA-N 1 1 248.395 3.112 20 30 BGEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC000848924742 645443779 /nfs/dbraw/zinc/44/37/79/645443779.db2.gz ZFFNRNXIXJLFNS-LBPRGKRZSA-N 1 1 248.395 3.112 20 30 BGEDMO Cc1ncc(C[NH2+]CC2(C#N)CCCCC2)s1 ZINC000850390679 588543354 /nfs/dbraw/zinc/54/33/54/588543354.db2.gz NUNNVEUJJBOBRI-UHFFFAOYSA-N 1 1 249.383 3.015 20 30 BGEDMO Cc1cc(C[NH2+]CC2(C#N)CCCCC2)c(C)o1 ZINC000850390828 588543508 /nfs/dbraw/zinc/54/35/08/588543508.db2.gz UMYMPEHMFWBGRP-UHFFFAOYSA-N 1 1 246.354 3.460 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000850442190 588547004 /nfs/dbraw/zinc/54/70/04/588547004.db2.gz BRGFBPMAPLKDKA-MRVPVSSYSA-N 1 1 246.688 3.422 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000850442192 588547023 /nfs/dbraw/zinc/54/70/23/588547023.db2.gz BRGFBPMAPLKDKA-QMMMGPOBSA-N 1 1 246.688 3.422 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000850442541 588547235 /nfs/dbraw/zinc/54/72/35/588547235.db2.gz FOROUXRTRGWXHM-SECBINFHSA-N 1 1 236.702 3.231 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000850442542 588546981 /nfs/dbraw/zinc/54/69/81/588546981.db2.gz FOROUXRTRGWXHM-VIFPVBQESA-N 1 1 236.702 3.231 20 30 BGEDMO C=CCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000850501407 588552139 /nfs/dbraw/zinc/55/21/39/588552139.db2.gz BUYXBANLFPHUSV-SECBINFHSA-N 1 1 225.719 3.272 20 30 BGEDMO C=CCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000850501413 588552101 /nfs/dbraw/zinc/55/21/01/588552101.db2.gz BUYXBANLFPHUSV-VIFPVBQESA-N 1 1 225.719 3.272 20 30 BGEDMO C=CCC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000850502664 588552926 /nfs/dbraw/zinc/55/29/26/588552926.db2.gz TYOXDKBFECCOGZ-GFCCVEGCSA-N 1 1 223.291 3.148 20 30 BGEDMO C=CCC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000850502665 588551927 /nfs/dbraw/zinc/55/19/27/588551927.db2.gz TYOXDKBFECCOGZ-LBPRGKRZSA-N 1 1 223.291 3.148 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](OC)C1 ZINC000851715462 588616220 /nfs/dbraw/zinc/61/62/20/588616220.db2.gz VLNLSTZKPQIYCG-CVEARBPZSA-N 1 1 245.366 3.242 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](OC)C1 ZINC000851715463 588616438 /nfs/dbraw/zinc/61/64/38/588616438.db2.gz VLNLSTZKPQIYCG-HOTGVXAUSA-N 1 1 245.366 3.242 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](OC)C1 ZINC000851715464 588616199 /nfs/dbraw/zinc/61/61/99/588616199.db2.gz VLNLSTZKPQIYCG-HZPDHXFCSA-N 1 1 245.366 3.242 20 30 BGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](OC)C1 ZINC000851715465 588616104 /nfs/dbraw/zinc/61/61/04/588616104.db2.gz VLNLSTZKPQIYCG-JKSUJKDBSA-N 1 1 245.366 3.242 20 30 BGEDMO C=C(C)C[N@@H+](CC)CC=C(Cl)Cl ZINC000851720731 588617393 /nfs/dbraw/zinc/61/73/93/588617393.db2.gz RKDAIDTXRAFZBK-UHFFFAOYSA-N 1 1 208.132 3.203 20 30 BGEDMO C=C(C)C[N@H+](CC)CC=C(Cl)Cl ZINC000851720731 588617392 /nfs/dbraw/zinc/61/73/92/588617392.db2.gz RKDAIDTXRAFZBK-UHFFFAOYSA-N 1 1 208.132 3.203 20 30 BGEDMO C=CC[N@@H+](Cc1cnc2ccccc2n1)C(C)C ZINC000851730281 588619162 /nfs/dbraw/zinc/61/91/62/588619162.db2.gz AXODNRURBVFWGQ-UHFFFAOYSA-N 1 1 241.338 3.026 20 30 BGEDMO C=CC[N@H+](CCOCc1ccccc1)C(C)C ZINC000851731002 588619573 /nfs/dbraw/zinc/61/95/73/588619573.db2.gz INWMDXYLWKERSC-UHFFFAOYSA-N 1 1 233.355 3.100 20 30 BGEDMO C=CC[N@H+](C[C@H](OC)C1CCCC1)C(C)C ZINC000851731074 588619338 /nfs/dbraw/zinc/61/93/38/588619338.db2.gz KXOZLONLFMREHI-AWEZNQCLSA-N 1 1 225.376 3.088 20 30 BGEDMO C=CC[N@H+](C[C@@H](OC)C1CCCC1)C(C)C ZINC000851731075 588619524 /nfs/dbraw/zinc/61/95/24/588619524.db2.gz KXOZLONLFMREHI-CQSZACIVSA-N 1 1 225.376 3.088 20 30 BGEDMO C=CC[N@@H+](CC=C(Cl)Cl)C(C)C ZINC000851731394 588619491 /nfs/dbraw/zinc/61/94/91/588619491.db2.gz OOAILIZYHQFWDA-UHFFFAOYSA-N 1 1 208.132 3.202 20 30 BGEDMO C=CC[N@H+](CC=C(Cl)Cl)C(C)C ZINC000851731394 588619490 /nfs/dbraw/zinc/61/94/90/588619490.db2.gz OOAILIZYHQFWDA-UHFFFAOYSA-N 1 1 208.132 3.202 20 30 BGEDMO C#CC[N@H+](Cc1nc(C)oc1C)C1CCCCC1 ZINC000851737552 588620959 /nfs/dbraw/zinc/62/09/59/588620959.db2.gz HNMGSAZATDXDNK-UHFFFAOYSA-N 1 1 246.354 3.059 20 30 BGEDMO C#CC[N@@H+](Cc1nc(C)oc1C)C1CCCCC1 ZINC000851737552 588620958 /nfs/dbraw/zinc/62/09/58/588620958.db2.gz HNMGSAZATDXDNK-UHFFFAOYSA-N 1 1 246.354 3.059 20 30 BGEDMO C=CCCCCC[N@H+](C)Cc1cccc(F)n1 ZINC000851780316 588627330 /nfs/dbraw/zinc/62/73/30/588627330.db2.gz GUCRTJLMRHWGSF-UHFFFAOYSA-N 1 1 236.334 3.399 20 30 BGEDMO C=CCCC[N@H+](C)CC=C(Cl)Cl ZINC000851780433 588627586 /nfs/dbraw/zinc/62/75/86/588627586.db2.gz RVCUWHUJOMLQTF-UHFFFAOYSA-N 1 1 208.132 3.203 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@H]1CC[C@H](OC)C1 ZINC000851781204 588627559 /nfs/dbraw/zinc/62/75/59/588627559.db2.gz QPRYZZLODAQBKY-KBPBESRZSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@@H]1CC[C@H](OC)C1 ZINC000851781205 582967088 /nfs/dbraw/zinc/96/70/88/582967088.db2.gz QPRYZZLODAQBKY-KGLIPLIRSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@H]1CC[C@@H](OC)C1 ZINC000851781206 582967287 /nfs/dbraw/zinc/96/72/87/582967287.db2.gz QPRYZZLODAQBKY-UONOGXRCSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CCCCCC[N@H+](C)[C@@H]1CC[C@@H](OC)C1 ZINC000851781207 582966707 /nfs/dbraw/zinc/96/67/07/582966707.db2.gz QPRYZZLODAQBKY-ZIAGYGMSSA-N 1 1 225.376 3.232 20 30 BGEDMO C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)C(C)(C)C1 ZINC000851798001 588629624 /nfs/dbraw/zinc/62/96/24/588629624.db2.gz HXCOAPRYUFMZSG-CYBMUJFWSA-N 1 1 242.366 3.221 20 30 BGEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)C(C)(C)C1 ZINC000851798002 588629837 /nfs/dbraw/zinc/62/98/37/588629837.db2.gz HXCOAPRYUFMZSG-ZDUSSCGKSA-N 1 1 242.366 3.221 20 30 BGEDMO C#CC[N@H+](CC=C(Cl)Cl)C1CCCC1 ZINC000851807140 588631618 /nfs/dbraw/zinc/63/16/18/588631618.db2.gz ADBZFFJSVWVJPS-UHFFFAOYSA-N 1 1 232.154 3.183 20 30 BGEDMO C#CC[N@@H+](CC=C(Cl)Cl)C1CCCC1 ZINC000851807140 588631617 /nfs/dbraw/zinc/63/16/17/588631617.db2.gz ADBZFFJSVWVJPS-UHFFFAOYSA-N 1 1 232.154 3.183 20 30 BGEDMO C#CC[N@H+](Cc1cccc(SC)c1)C1CC1 ZINC000851938287 588646226 /nfs/dbraw/zinc/64/62/26/588646226.db2.gz NOAZGUXFCKJIRA-UHFFFAOYSA-N 1 1 231.364 3.006 20 30 BGEDMO C#CC(C)(C)[N@H+](C)Cc1cccc(SC)c1 ZINC000851986356 588651743 /nfs/dbraw/zinc/65/17/43/588651743.db2.gz JBRPMXZSLJUNJO-UHFFFAOYSA-N 1 1 233.380 3.252 20 30 BGEDMO C#CC(C)(C)[N@H+](C)C[C@@H](CC)CC(F)F ZINC000851986804 588651773 /nfs/dbraw/zinc/65/17/73/588651773.db2.gz OHFCIBHYBZBCTC-JTQLQIEISA-N 1 1 217.303 3.011 20 30 BGEDMO C#CC(C)(C)[N@H+](C)C[C@H](CC)CC(F)F ZINC000851986805 588651809 /nfs/dbraw/zinc/65/18/09/588651809.db2.gz OHFCIBHYBZBCTC-SNVBAGLBSA-N 1 1 217.303 3.011 20 30 BGEDMO C#CC(C)(C)[N@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000851987255 588651714 /nfs/dbraw/zinc/65/17/14/588651714.db2.gz SOWSWIIPXUCSQJ-CYBMUJFWSA-N 1 1 245.366 3.142 20 30 BGEDMO C#CC(C)(C)[N@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000851987256 588651593 /nfs/dbraw/zinc/65/15/93/588651593.db2.gz SOWSWIIPXUCSQJ-ZDUSSCGKSA-N 1 1 245.366 3.142 20 30 BGEDMO C#CC(C)(C)[N@@H+](C)Cc1nsc2ccccc21 ZINC000851987691 588651946 /nfs/dbraw/zinc/65/19/46/588651946.db2.gz WSUSIGABOXSXIJ-UHFFFAOYSA-N 1 1 244.363 3.140 20 30 BGEDMO C#CC(C)(C)[N@H+](C)Cc1nsc2ccccc21 ZINC000851987691 588651945 /nfs/dbraw/zinc/65/19/45/588651945.db2.gz WSUSIGABOXSXIJ-UHFFFAOYSA-N 1 1 244.363 3.140 20 30 BGEDMO N#Cc1ccc(CC[N@H+]2CCCC23CCC3)cc1 ZINC000851989440 588652739 /nfs/dbraw/zinc/65/27/39/588652739.db2.gz IDOQLEPEXFSKQN-UHFFFAOYSA-N 1 1 240.350 3.119 20 30 BGEDMO C=CC[C@H]1[N@H+](CCOC(F)F)CCCC1(C)C ZINC000851989503 588652513 /nfs/dbraw/zinc/65/25/13/588652513.db2.gz JRSPWZJSTYBZIM-LLVKDONJSA-N 1 1 247.329 3.292 20 30 BGEDMO C=CC[C@@H]1[N@H+](CCOC(F)F)CCCC1(C)C ZINC000851989504 588652120 /nfs/dbraw/zinc/65/21/20/588652120.db2.gz JRSPWZJSTYBZIM-NSHDSACASA-N 1 1 247.329 3.292 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)CC[C@H]1CCc2ccccc21 ZINC000851990062 588652361 /nfs/dbraw/zinc/65/23/61/588652361.db2.gz NUQFCJSIIQSCPD-DZGCQCFKSA-N 1 1 227.351 3.060 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000851990063 588652287 /nfs/dbraw/zinc/65/22/87/588652287.db2.gz NUQFCJSIIQSCPD-HIFRSBDPSA-N 1 1 227.351 3.060 20 30 BGEDMO C#C[C@@H](C)[N@@H+](C)CC[C@H]1CCc2ccccc21 ZINC000851990064 588652167 /nfs/dbraw/zinc/65/21/67/588652167.db2.gz NUQFCJSIIQSCPD-UKRRQHHQSA-N 1 1 227.351 3.060 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000851990065 588652673 /nfs/dbraw/zinc/65/26/73/588652673.db2.gz NUQFCJSIIQSCPD-ZFWWWQNUSA-N 1 1 227.351 3.060 20 30 BGEDMO CCCCCCCC[N@H+]1CCn2cncc2C1 ZINC000852060437 588658658 /nfs/dbraw/zinc/65/86/58/588658658.db2.gz FLJJQYMJLIHYME-UHFFFAOYSA-N 1 1 235.375 3.059 20 30 BGEDMO CCCCCCCCC[N@H+]1CCn2cncc2C1 ZINC000852066347 588658804 /nfs/dbraw/zinc/65/88/04/588658804.db2.gz PWWGFVRRAFTGDM-UHFFFAOYSA-N 1 1 249.402 3.449 20 30 BGEDMO C#CCOCC[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000852074434 588659928 /nfs/dbraw/zinc/65/99/28/588659928.db2.gz CMYWADOXIGAAOZ-HNNXBMFYSA-N 1 1 245.366 3.108 20 30 BGEDMO C#CCOCC[N@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000852074435 588659669 /nfs/dbraw/zinc/65/96/69/588659669.db2.gz CMYWADOXIGAAOZ-OAHLLOKOSA-N 1 1 245.366 3.108 20 30 BGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000852084304 588660823 /nfs/dbraw/zinc/66/08/23/588660823.db2.gz SKHGOTLWJDSKTJ-GFCCVEGCSA-N 1 1 236.746 3.014 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000852084304 588660822 /nfs/dbraw/zinc/66/08/22/588660822.db2.gz SKHGOTLWJDSKTJ-GFCCVEGCSA-N 1 1 236.746 3.014 20 30 BGEDMO C=C(Cl)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000852084305 588660755 /nfs/dbraw/zinc/66/07/55/588660755.db2.gz SKHGOTLWJDSKTJ-LBPRGKRZSA-N 1 1 236.746 3.014 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000852084305 588660754 /nfs/dbraw/zinc/66/07/54/588660754.db2.gz SKHGOTLWJDSKTJ-LBPRGKRZSA-N 1 1 236.746 3.014 20 30 BGEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000852099264 588662670 /nfs/dbraw/zinc/66/26/70/588662670.db2.gz IGCDKBUZJBXRAF-HZMBPMFUSA-N 1 1 237.293 3.417 20 30 BGEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000852099265 588662780 /nfs/dbraw/zinc/66/27/80/588662780.db2.gz IGCDKBUZJBXRAF-IINYFYTJSA-N 1 1 237.293 3.417 20 30 BGEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1c(F)cccc1F ZINC000852099266 588662752 /nfs/dbraw/zinc/66/27/52/588662752.db2.gz IGCDKBUZJBXRAF-QMTHXVAHSA-N 1 1 237.293 3.417 20 30 BGEDMO C#C[C@@](C)(CC)[NH2+][C@H](C)c1c(F)cccc1F ZINC000852099267 588662585 /nfs/dbraw/zinc/66/25/85/588662585.db2.gz IGCDKBUZJBXRAF-YGRLFVJLSA-N 1 1 237.293 3.417 20 30 BGEDMO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc2ccccc2o1 ZINC000852100004 588662854 /nfs/dbraw/zinc/66/28/54/588662854.db2.gz DRAMFNCWJXXZJH-ABAIWWIYSA-N 1 1 242.322 3.280 20 30 BGEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc2ccccc2o1 ZINC000852100006 588662756 /nfs/dbraw/zinc/66/27/56/588662756.db2.gz DRAMFNCWJXXZJH-IAQYHMDHSA-N 1 1 242.322 3.280 20 30 BGEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC000852100008 588662589 /nfs/dbraw/zinc/66/25/89/588662589.db2.gz DRAMFNCWJXXZJH-NHYWBVRUSA-N 1 1 242.322 3.280 20 30 BGEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC000852100010 588662604 /nfs/dbraw/zinc/66/26/04/588662604.db2.gz DRAMFNCWJXXZJH-XHDPSFHLSA-N 1 1 242.322 3.280 20 30 BGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000852104007 588663841 /nfs/dbraw/zinc/66/38/41/588663841.db2.gz YJUHQLPVFUKBEK-AWEZNQCLSA-N 1 1 246.741 3.103 20 30 BGEDMO C#C[C@](C)(CC)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000852104008 588663556 /nfs/dbraw/zinc/66/35/56/588663556.db2.gz YJUHQLPVFUKBEK-CQSZACIVSA-N 1 1 246.741 3.103 20 30 BGEDMO C#C[C@@](C)(CC)[NH2+]Cc1nsc2ccccc21 ZINC000852105695 588664230 /nfs/dbraw/zinc/66/42/30/588664230.db2.gz YNYJWILGBPJFDB-AWEZNQCLSA-N 1 1 244.363 3.188 20 30 BGEDMO C#C[C@](C)(CC)[NH2+]Cc1nsc2ccccc21 ZINC000852105696 588664052 /nfs/dbraw/zinc/66/40/52/588664052.db2.gz YNYJWILGBPJFDB-CQSZACIVSA-N 1 1 244.363 3.188 20 30 BGEDMO C#CC[C@H]1CCC[N@H+](CCC=C(C)C)C1 ZINC000852206171 588671922 /nfs/dbraw/zinc/67/19/22/588671922.db2.gz DANIQCFTXNPWFF-AWEZNQCLSA-N 1 1 205.345 3.078 20 30 BGEDMO C#CC[C@@H]1CCC[N@H+](CCC=C(C)C)C1 ZINC000852206172 588671668 /nfs/dbraw/zinc/67/16/68/588671668.db2.gz DANIQCFTXNPWFF-CQSZACIVSA-N 1 1 205.345 3.078 20 30 BGEDMO C#CC[C@H]1CCC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000852206538 588671848 /nfs/dbraw/zinc/67/18/48/588671848.db2.gz LUGHDQULQRUHRV-USXIJHARSA-N 1 1 239.362 3.278 20 30 BGEDMO C#CC[C@H]1CCC[N@H+](CC=C(Cl)Cl)C1 ZINC000852206541 588671832 /nfs/dbraw/zinc/67/18/32/588671832.db2.gz MBISBWQIQXPVCE-JTQLQIEISA-N 1 1 232.154 3.041 20 30 BGEDMO C#CC[C@@H]1CCC[N@H+](CC=C(Cl)Cl)C1 ZINC000852206542 588671704 /nfs/dbraw/zinc/67/17/04/588671704.db2.gz MBISBWQIQXPVCE-SNVBAGLBSA-N 1 1 232.154 3.041 20 30 BGEDMO C#CC[C@@H]1CCC[N@H+](C[C@H](CC)CC(F)F)C1 ZINC000852207034 588672017 /nfs/dbraw/zinc/67/20/17/588672017.db2.gz XLMITYKJDBOTJJ-CHWSQXEVSA-N 1 1 243.341 3.403 20 30 BGEDMO C#CC[C@H]1CCC[N@H+](C[C@H](CC)CC(F)F)C1 ZINC000852207035 588671620 /nfs/dbraw/zinc/67/16/20/588671620.db2.gz XLMITYKJDBOTJJ-OLZOCXBDSA-N 1 1 243.341 3.403 20 30 BGEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H](CC)CC(F)F)C1 ZINC000852207036 588671910 /nfs/dbraw/zinc/67/19/10/588671910.db2.gz XLMITYKJDBOTJJ-QWHCGFSZSA-N 1 1 243.341 3.403 20 30 BGEDMO C#CC[C@H]1CCC[N@H+](C[C@@H](CC)CC(F)F)C1 ZINC000852207037 588671817 /nfs/dbraw/zinc/67/18/17/588671817.db2.gz XLMITYKJDBOTJJ-STQMWFEESA-N 1 1 243.341 3.403 20 30 BGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000852207075 588671710 /nfs/dbraw/zinc/67/17/10/588671710.db2.gz YPEFNGFQBDBVLS-FPCVCCKLSA-N 1 1 231.383 3.158 20 30 BGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000852207077 583010455 /nfs/dbraw/zinc/01/04/55/583010455.db2.gz YPEFNGFQBDBVLS-LVQVYYBASA-N 1 1 231.383 3.158 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(SC)c2)C1 ZINC000852216241 645475606 /nfs/dbraw/zinc/47/56/06/645475606.db2.gz XAAGIRFEQGQVBQ-CYBMUJFWSA-N 1 1 245.391 3.254 20 30 BGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(SC)c2)C1 ZINC000852216242 645474928 /nfs/dbraw/zinc/47/49/28/645474928.db2.gz XAAGIRFEQGQVBQ-ZDUSSCGKSA-N 1 1 245.391 3.254 20 30 BGEDMO C#C[C@@H]1CCC[N@H+](C[C@@H](CC)CC(F)F)C1 ZINC000852216697 645476204 /nfs/dbraw/zinc/47/62/04/645476204.db2.gz KQJYRWZNXRJYSI-NEPJUHHUSA-N 1 1 229.314 3.013 20 30 BGEDMO C#C[C@H]1CCC[N@H+](C[C@H](CC)CC(F)F)C1 ZINC000852216698 588673763 /nfs/dbraw/zinc/67/37/63/588673763.db2.gz KQJYRWZNXRJYSI-NWDGAFQWSA-N 1 1 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ZINC000852697478 588696868 /nfs/dbraw/zinc/69/68/68/588696868.db2.gz CTQATAWBYXTAET-UHFFFAOYSA-N 1 1 247.386 3.195 20 30 BGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000852724612 588698159 /nfs/dbraw/zinc/69/81/59/588698159.db2.gz IRFZDGIFXVGWQH-CYBMUJFWSA-N 1 1 235.758 3.401 20 30 BGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000852724613 588697816 /nfs/dbraw/zinc/69/78/16/588697816.db2.gz IRFZDGIFXVGWQH-ZDUSSCGKSA-N 1 1 235.758 3.401 20 30 BGEDMO C#CCCC[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000852724645 588697913 /nfs/dbraw/zinc/69/79/13/588697913.db2.gz JGMNIEURVPVFPM-HNNXBMFYSA-N 1 1 227.351 3.062 20 30 BGEDMO C#CCCC[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000852724646 588698223 /nfs/dbraw/zinc/69/82/23/588698223.db2.gz JGMNIEURVPVFPM-OAHLLOKOSA-N 1 1 227.351 3.062 20 30 BGEDMO C#CCCC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000852762101 588701096 /nfs/dbraw/zinc/70/10/96/588701096.db2.gz YLYPMIYDOVOUPL-UHFFFAOYSA-N 1 1 225.335 3.021 20 30 BGEDMO C=C(Cl)C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000852762181 588700857 /nfs/dbraw/zinc/70/08/57/588700857.db2.gz ILJTWGXJGQQBBV-UHFFFAOYSA-N 1 1 233.742 3.360 20 30 BGEDMO C[N@H+](Cc1ccc(F)cc1C#N)C[C@H]1CC1(C)C ZINC000852773013 588701823 /nfs/dbraw/zinc/70/18/23/588701823.db2.gz UFLVSNJLAKQQIZ-CYBMUJFWSA-N 1 1 246.329 3.175 20 30 BGEDMO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CC1(C)C ZINC000852773014 588701456 /nfs/dbraw/zinc/70/14/56/588701456.db2.gz UFLVSNJLAKQQIZ-ZDUSSCGKSA-N 1 1 246.329 3.175 20 30 BGEDMO CCCCCCCC[C@@H](C)c1nc(C[NH3+])no1 ZINC000853023561 588716530 /nfs/dbraw/zinc/71/65/30/588716530.db2.gz BTXDIEFLKZIPPI-LLVKDONJSA-N 1 1 239.363 3.382 20 30 BGEDMO CCCCCCCC[C@H](C)c1nc(C[NH3+])no1 ZINC000853023562 588716577 /nfs/dbraw/zinc/71/65/77/588716577.db2.gz BTXDIEFLKZIPPI-NSHDSACASA-N 1 1 239.363 3.382 20 30 BGEDMO CC(=[NH+]N1CCCC[C@@H]1C)c1cc(N)ccc1F ZINC000853381560 588739884 /nfs/dbraw/zinc/73/98/84/588739884.db2.gz GHQVSYQHIQZVQJ-JTQLQIEISA-N 1 1 249.333 3.006 20 30 BGEDMO CC(=[NH+]N1CCCC[C@H]1C)c1cc(N)ccc1F ZINC000853381561 588739756 /nfs/dbraw/zinc/73/97/56/588739756.db2.gz GHQVSYQHIQZVQJ-SNVBAGLBSA-N 1 1 249.333 3.006 20 30 BGEDMO C#CCCCNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000853388538 588740294 /nfs/dbraw/zinc/74/02/94/588740294.db2.gz MJNVFAZXPYPCIU-UHFFFAOYSA-N 1 1 242.244 3.234 20 30 BGEDMO Cc1ccc(F)cc1N=NC1CCC[N@H+](C)CC1 ZINC000853393461 588740535 /nfs/dbraw/zinc/74/05/35/588740535.db2.gz ICYIXTPLTGVXEP-UHFFFAOYSA-N 1 1 249.333 3.018 20 30 BGEDMO CC([NH2+]Nc1ccnc(Cl)c1)=C1CC1(F)F ZINC000853397872 588740836 /nfs/dbraw/zinc/74/08/36/588740836.db2.gz WUHGGWYCKIYPCK-MRVPVSSYSA-N 1 1 245.660 3.178 20 30 BGEDMO CC([NH2+]Nc1ccnc(Cl)c1)=C1CC1(F)F ZINC000853397873 583052593 /nfs/dbraw/zinc/05/25/93/583052593.db2.gz WUHGGWYCKIYPCK-QMMMGPOBSA-N 1 1 245.660 3.178 20 30 BGEDMO Cc1ccc(N=NC2CCC[N@H+](C)CC2)cc1F ZINC000853438464 588742490 /nfs/dbraw/zinc/74/24/90/588742490.db2.gz CDBHTSIATHBBMT-UHFFFAOYSA-N 1 1 249.333 3.018 20 30 BGEDMO C#CCCCCNc1[nH+]ccc2c(N)cccc21 ZINC000853444612 588743508 /nfs/dbraw/zinc/74/35/08/588743508.db2.gz KZJXFVNLRLEHIM-UHFFFAOYSA-N 1 1 239.322 3.032 20 30 BGEDMO N#CCC1(CO[NH+]=C(N)C2CCCCCC2)CC1 ZINC000853679205 588755172 /nfs/dbraw/zinc/75/51/72/588755172.db2.gz XKBJNOSONWPREN-UHFFFAOYSA-N 1 1 249.358 3.149 20 30 BGEDMO C=CCCCCC[C@H](C)[NH2+]CC1(N)CCCC1 ZINC000854222410 588780253 /nfs/dbraw/zinc/78/02/53/588780253.db2.gz FPWKBLSVGMIFNI-AWEZNQCLSA-N 1 1 238.419 3.373 20 30 BGEDMO C=CCCCCC[C@@H](C)[NH2+]CC1(N)CCCC1 ZINC000854222411 588780184 /nfs/dbraw/zinc/78/01/84/588780184.db2.gz FPWKBLSVGMIFNI-CQSZACIVSA-N 1 1 238.419 3.373 20 30 BGEDMO C#CC[N@H+](Cc1ccnc(C)c1)C1CCCCC1 ZINC000856721664 588875158 /nfs/dbraw/zinc/87/51/58/588875158.db2.gz HSBMLXBQDCEARF-UHFFFAOYSA-N 1 1 242.366 3.158 20 30 BGEDMO C=CC[N@@H+](Cc1cncc(Cl)c1)C(C)C ZINC000856721748 588875088 /nfs/dbraw/zinc/87/50/88/588875088.db2.gz NBSBGGMNUNZWPL-UHFFFAOYSA-N 1 1 224.735 3.131 20 30 BGEDMO C#CC[N@H+](Cc1cncc(Cl)c1)C1CCCC1 ZINC000856728168 588875489 /nfs/dbraw/zinc/87/54/89/588875489.db2.gz LYHPXMVLRWWMEJ-UHFFFAOYSA-N 1 1 248.757 3.113 20 30 BGEDMO C#CC(C)(C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000856739205 588875898 /nfs/dbraw/zinc/87/58/98/588875898.db2.gz XJUHEXQZRMUOEX-UHFFFAOYSA-N 1 1 245.753 3.035 20 30 BGEDMO CCCCCCC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857859183 588914036 /nfs/dbraw/zinc/91/40/36/588914036.db2.gz DOPGWLBBZDWXPH-CYBMUJFWSA-N 1 1 235.375 3.347 20 30 BGEDMO CCCCCCC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857859185 588914189 /nfs/dbraw/zinc/91/41/89/588914189.db2.gz DOPGWLBBZDWXPH-ZDUSSCGKSA-N 1 1 235.375 3.347 20 30 BGEDMO C=CCCC[C@H](C)[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857861695 588914898 /nfs/dbraw/zinc/91/48/98/588914898.db2.gz UDVMBZCMVNTEGS-AAEUAGOBSA-N 1 1 233.359 3.122 20 30 BGEDMO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857861696 588914728 /nfs/dbraw/zinc/91/47/28/588914728.db2.gz UDVMBZCMVNTEGS-DGCLKSJQSA-N 1 1 233.359 3.122 20 30 BGEDMO C=CCCC[C@H](C)[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857861697 588915244 /nfs/dbraw/zinc/91/52/44/588915244.db2.gz UDVMBZCMVNTEGS-WCQYABFASA-N 1 1 233.359 3.122 20 30 BGEDMO C=CCCC[C@@H](C)[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857861698 588914860 /nfs/dbraw/zinc/91/48/60/588914860.db2.gz UDVMBZCMVNTEGS-YPMHNXCESA-N 1 1 233.359 3.122 20 30 BGEDMO C=CCCCCC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857873520 588918044 /nfs/dbraw/zinc/91/80/44/588918044.db2.gz YCVSZSVDQZEGIE-CYBMUJFWSA-N 1 1 233.359 3.123 20 30 BGEDMO C=CCCCCC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857873521 588918281 /nfs/dbraw/zinc/91/82/81/588918281.db2.gz YCVSZSVDQZEGIE-ZDUSSCGKSA-N 1 1 233.359 3.123 20 30 BGEDMO CCCCCCC[N@H+]1Cc2ccncc2C1 ZINC000857876143 588918745 /nfs/dbraw/zinc/91/87/45/588918745.db2.gz LQNKAHQKMOTULB-UHFFFAOYSA-N 1 1 218.344 3.368 20 30 BGEDMO CCCCCCC[N@@H+]1Cc2ccncc2C1 ZINC000857876143 588918743 /nfs/dbraw/zinc/91/87/43/588918743.db2.gz LQNKAHQKMOTULB-UHFFFAOYSA-N 1 1 218.344 3.368 20 30 BGEDMO C=CCCCCC[C@@H](C)[N@H+]1CCc2n[nH]cc2C1 ZINC000857876916 588918650 /nfs/dbraw/zinc/91/86/50/588918650.db2.gz BUOSHALQNSIKKY-CYBMUJFWSA-N 1 1 247.386 3.293 20 30 BGEDMO C=CCCCCC[C@H](C)[N@H+]1CCc2n[nH]cc2C1 ZINC000857876918 588919179 /nfs/dbraw/zinc/91/91/79/588919179.db2.gz BUOSHALQNSIKKY-ZDUSSCGKSA-N 1 1 247.386 3.293 20 30 BGEDMO CC(C)(C#N)CCCC[N@H+]1Cc2ccncc2C1 ZINC000857879952 588919353 /nfs/dbraw/zinc/91/93/53/588919353.db2.gz XCDJJNSVUSSWRF-UHFFFAOYSA-N 1 1 243.354 3.117 20 30 BGEDMO CC(C)(C#N)CCCC[N@@H+]1Cc2ccncc2C1 ZINC000857879952 588919352 /nfs/dbraw/zinc/91/93/52/588919352.db2.gz XCDJJNSVUSSWRF-UHFFFAOYSA-N 1 1 243.354 3.117 20 30 BGEDMO C=CCCCCC[N@H+]1Cc2ccncc2C1 ZINC000857879964 588919242 /nfs/dbraw/zinc/91/92/42/588919242.db2.gz XSQSAHDGQZBLLW-UHFFFAOYSA-N 1 1 216.328 3.144 20 30 BGEDMO C=CCCCCC[N@@H+]1Cc2ccncc2C1 ZINC000857879964 588919240 /nfs/dbraw/zinc/91/92/40/588919240.db2.gz XSQSAHDGQZBLLW-UHFFFAOYSA-N 1 1 216.328 3.144 20 30 BGEDMO CCCCCCC[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000858088416 588931583 /nfs/dbraw/zinc/93/15/83/588931583.db2.gz CWPJVBABSSMZDY-AWEZNQCLSA-N 1 1 240.435 3.419 20 30 BGEDMO CCCCCCC[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000858088417 588931605 /nfs/dbraw/zinc/93/16/05/588931605.db2.gz CWPJVBABSSMZDY-CQSZACIVSA-N 1 1 240.435 3.419 20 30 BGEDMO C=CC[N@@H+](Cc1ncccc1Cl)C(C)C ZINC000859080218 712617523 /nfs/dbraw/zinc/61/75/23/712617523.db2.gz GNZMMAMVRWRNFH-UHFFFAOYSA-N 1 1 224.735 3.131 20 30 BGEDMO C=CC[N@H+](Cc1ncccc1Cl)C(C)C ZINC000859080218 712617522 /nfs/dbraw/zinc/61/75/22/712617522.db2.gz GNZMMAMVRWRNFH-UHFFFAOYSA-N 1 1 224.735 3.131 20 30 BGEDMO C=CC[N@@H+](Cc1cc(O)ccc1Cl)C(C)C ZINC000859082024 588998863 /nfs/dbraw/zinc/99/88/63/588998863.db2.gz OHUPYVMKKZOJSK-UHFFFAOYSA-N 1 1 239.746 3.442 20 30 BGEDMO C=CC[N@H+](Cc1cc(O)ccc1Cl)C(C)C ZINC000859082024 588998862 /nfs/dbraw/zinc/99/88/62/588998862.db2.gz OHUPYVMKKZOJSK-UHFFFAOYSA-N 1 1 239.746 3.442 20 30 BGEDMO C=CC[N@@H+](Cc1ccc(C)c(C#N)c1)C(C)C ZINC000859082382 588998900 /nfs/dbraw/zinc/99/89/00/588998900.db2.gz XPQUWXPUVUKOQS-UHFFFAOYSA-N 1 1 228.339 3.263 20 30 BGEDMO C#CC(C)(C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000859279672 589027349 /nfs/dbraw/zinc/02/73/49/589027349.db2.gz DAJKVOAFAVHURJ-UHFFFAOYSA-N 1 1 245.753 3.035 20 30 BGEDMO Cc1ccc(C[N@H+]2CCCC23CCC3)cc1C#N ZINC000859281550 589026910 /nfs/dbraw/zinc/02/69/10/589026910.db2.gz SGBYSPXLGPITPA-UHFFFAOYSA-N 1 1 240.350 3.385 20 30 BGEDMO CCCCCCCC[N@H+]1CCc2nc[nH]c2C1 ZINC000859306462 589030015 /nfs/dbraw/zinc/03/00/15/589030015.db2.gz XDDHYIILCUQDBF-UHFFFAOYSA-N 1 1 235.375 3.128 20 30 BGEDMO Cc1ccc(C[N@H+]2CCC[C@](C)(F)C2)cc1C#N ZINC000859319659 589030919 /nfs/dbraw/zinc/03/09/19/589030919.db2.gz RPAFXUVCBOXJCG-HNNXBMFYSA-N 1 1 246.329 3.191 20 30 BGEDMO Cc1ccc(C[N@@H+]2CCC[C@](C)(F)C2)cc1C#N ZINC000859319659 589030918 /nfs/dbraw/zinc/03/09/18/589030918.db2.gz RPAFXUVCBOXJCG-HNNXBMFYSA-N 1 1 246.329 3.191 20 30 BGEDMO Cc1ccc(C[N@H+]2CCC[C@@](C)(F)C2)cc1C#N ZINC000859319663 589031061 /nfs/dbraw/zinc/03/10/61/589031061.db2.gz RPAFXUVCBOXJCG-OAHLLOKOSA-N 1 1 246.329 3.191 20 30 BGEDMO Cc1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)cc1C#N ZINC000859319663 589031059 /nfs/dbraw/zinc/03/10/59/589031059.db2.gz RPAFXUVCBOXJCG-OAHLLOKOSA-N 1 1 246.329 3.191 20 30 BGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccnc(F)c2)C1 ZINC000859349145 589032984 /nfs/dbraw/zinc/03/29/84/589032984.db2.gz QIJOQFUEYBCMFI-GFCCVEGCSA-N 1 1 234.318 3.009 20 30 BGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccnc(F)c2)C1 ZINC000859349146 589033073 /nfs/dbraw/zinc/03/30/73/589033073.db2.gz QIJOQFUEYBCMFI-LBPRGKRZSA-N 1 1 234.318 3.009 20 30 BGEDMO C=CC[N@@H+](Cc1ccnc(F)c1)C(C)(C)C ZINC000859350371 589033230 /nfs/dbraw/zinc/03/32/30/589033230.db2.gz SXFXQHWPIFJSHT-UHFFFAOYSA-N 1 1 222.307 3.007 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000859414953 589035661 /nfs/dbraw/zinc/03/56/61/589035661.db2.gz LBORVIJHOWYPQB-CYBMUJFWSA-N 1 1 249.304 3.168 20 30 BGEDMO C#CCC[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000859414965 589035556 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247.285 3.220 20 30 BGEDMO C#C[C@H](C)[N@@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000862348892 589201430 /nfs/dbraw/zinc/20/14/30/589201430.db2.gz JBUDHTIFDPCLRT-QMMMGPOBSA-N 1 1 247.285 3.220 20 30 BGEDMO C#C[C@H](C)[N@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000862348892 589201429 /nfs/dbraw/zinc/20/14/29/589201429.db2.gz JBUDHTIFDPCLRT-QMMMGPOBSA-N 1 1 247.285 3.220 20 30 BGEDMO C#C[C@H](C)[N@H+](C)C[C@H](C)c1ccc(C)cc1 ZINC000862349077 589201741 /nfs/dbraw/zinc/20/17/41/589201741.db2.gz OEJOELVJAFDXNS-KBPBESRZSA-N 1 1 215.340 3.052 20 30 BGEDMO C#C[C@H](C)[N@H+](C)C[C@@H](C)c1ccc(C)cc1 ZINC000862349078 589201976 /nfs/dbraw/zinc/20/19/76/589201976.db2.gz OEJOELVJAFDXNS-KGLIPLIRSA-N 1 1 215.340 3.052 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)C[C@H](C)c1ccc(C)cc1 ZINC000862349079 589201893 /nfs/dbraw/zinc/20/18/93/589201893.db2.gz OEJOELVJAFDXNS-UONOGXRCSA-N 1 1 215.340 3.052 20 30 BGEDMO C#C[C@@H](C)[N@H+](C)C[C@@H](C)c1ccc(C)cc1 ZINC000862349080 589202078 /nfs/dbraw/zinc/20/20/78/589202078.db2.gz OEJOELVJAFDXNS-ZIAGYGMSSA-N 1 1 215.340 3.052 20 30 BGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccnc(F)c1C ZINC000862351716 589202262 /nfs/dbraw/zinc/20/22/62/589202262.db2.gz RWEZJGJRHFNIOT-CYBMUJFWSA-N 1 1 234.318 3.070 20 30 BGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccnc(F)c1C ZINC000862351717 589202573 /nfs/dbraw/zinc/20/25/73/589202573.db2.gz RWEZJGJRHFNIOT-ZDUSSCGKSA-N 1 1 234.318 3.070 20 30 BGEDMO C#CC[C@H]1CCC[N@H+](C[C@]2(C)CCCS2)C1 ZINC000862399766 589209033 /nfs/dbraw/zinc/20/90/33/589209033.db2.gz BRURKFHTHPTVGV-KBPBESRZSA-N 1 1 237.412 3.007 20 30 BGEDMO C#CC[C@@H]1CCC[N@H+](C[C@]2(C)CCCS2)C1 ZINC000862399767 589209415 /nfs/dbraw/zinc/20/94/15/589209415.db2.gz BRURKFHTHPTVGV-KGLIPLIRSA-N 1 1 237.412 3.007 20 30 BGEDMO C#CC[C@H]1CCC[N@H+](C[C@@]2(C)CCCS2)C1 ZINC000862399768 589209048 /nfs/dbraw/zinc/20/90/48/589209048.db2.gz BRURKFHTHPTVGV-UONOGXRCSA-N 1 1 237.412 3.007 20 30 BGEDMO C#CC[C@@H]1CCC[N@H+](C[C@@]2(C)CCCS2)C1 ZINC000862399769 589209212 /nfs/dbraw/zinc/20/92/12/589209212.db2.gz BRURKFHTHPTVGV-ZIAGYGMSSA-N 1 1 237.412 3.007 20 30 BGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000862402384 589209451 /nfs/dbraw/zinc/20/94/51/589209451.db2.gz MFHDYJLEXBRTQQ-CYBMUJFWSA-N 1 1 238.334 3.013 20 30 BGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000862402385 589209320 /nfs/dbraw/zinc/20/93/20/589209320.db2.gz MFHDYJLEXBRTQQ-ZDUSSCGKSA-N 1 1 238.334 3.013 20 30 BGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000862402943 589209272 /nfs/dbraw/zinc/20/92/72/589209272.db2.gz TXBZWORMHKTYAA-CYBMUJFWSA-N 1 1 238.334 3.013 20 30 BGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000862402944 589209230 /nfs/dbraw/zinc/20/92/30/589209230.db2.gz TXBZWORMHKTYAA-ZDUSSCGKSA-N 1 1 238.334 3.013 20 30 BGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccnc(F)c2C)C1 ZINC000862410184 589210165 /nfs/dbraw/zinc/21/01/65/589210165.db2.gz OYOGGWHGKPDTOO-CYBMUJFWSA-N 1 1 248.345 3.317 20 30 BGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccnc(F)c2C)C1 ZINC000862410185 583962138 /nfs/dbraw/zinc/96/21/38/583962138.db2.gz OYOGGWHGKPDTOO-ZDUSSCGKSA-N 1 1 248.345 3.317 20 30 BGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000862439730 589212887 /nfs/dbraw/zinc/21/28/87/589212887.db2.gz ANSCJMVXAFYCSM-AWEZNQCLSA-N 1 1 245.366 3.407 20 30 BGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000862439731 589212788 /nfs/dbraw/zinc/21/27/88/589212788.db2.gz ANSCJMVXAFYCSM-CQSZACIVSA-N 1 1 245.366 3.407 20 30 BGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C)oc2C)C1 ZINC000862440132 589212842 /nfs/dbraw/zinc/21/28/42/589212842.db2.gz DWJRQDMEQWNRFB-CYBMUJFWSA-N 1 1 219.328 3.294 20 30 BGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C)oc2C)C1 ZINC000862440133 589213054 /nfs/dbraw/zinc/21/30/54/589213054.db2.gz DWJRQDMEQWNRFB-ZDUSSCGKSA-N 1 1 219.328 3.294 20 30 BGEDMO C=CC[C@H]1CC[N@H+](CCCc2cnccc2C)C1 ZINC000862440437 589212851 /nfs/dbraw/zinc/21/28/51/589212851.db2.gz HSFCDOPUTLELPP-HNNXBMFYSA-N 1 1 244.382 3.221 20 30 BGEDMO C=CC[C@@H]1CC[N@H+](CCCc2cnccc2C)C1 ZINC000862440438 589212989 /nfs/dbraw/zinc/21/29/89/589212989.db2.gz HSFCDOPUTLELPP-OAHLLOKOSA-N 1 1 244.382 3.221 20 30 BGEDMO C=CC[C@@H]1CC[N@H+](C[C@H]2CCO[C@@H](CC)C2)C1 ZINC000862440665 636628368 /nfs/dbraw/zinc/62/83/68/636628368.db2.gz JTKBFVQRCFZZJV-ILXRZTDVSA-N 1 1 237.387 3.090 20 30 BGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H]2CCO[C@@H](CC)C2)C1 ZINC000862440666 636628635 /nfs/dbraw/zinc/62/86/35/636628635.db2.gz JTKBFVQRCFZZJV-KFWWJZLASA-N 1 1 237.387 3.090 20 30 BGEDMO C=CC[C@@H]1CC[N@H+](C[C@H]2CCO[C@H](CC)C2)C1 ZINC000862440668 636628270 /nfs/dbraw/zinc/62/82/70/636628270.db2.gz JTKBFVQRCFZZJV-QLFBSQMISA-N 1 1 237.387 3.090 20 30 BGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H]2CCO[C@H](CC)C2)C1 ZINC000862440670 636627690 /nfs/dbraw/zinc/62/76/90/636627690.db2.gz JTKBFVQRCFZZJV-RBSFLKMASA-N 1 1 237.387 3.090 20 30 BGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](CC=C)C2)cc1 ZINC000862440746 589212766 /nfs/dbraw/zinc/21/27/66/589212766.db2.gz KWSSDNBGGCFTSZ-HNNXBMFYSA-N 1 1 225.335 3.066 20 30 BGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](CC=C)C2)cc1 ZINC000862440748 589213044 /nfs/dbraw/zinc/21/30/44/589213044.db2.gz KWSSDNBGGCFTSZ-OAHLLOKOSA-N 1 1 225.335 3.066 20 30 BGEDMO C=CC[C@@H]1CC[N@H+](Cc2cccc(CC)c2O)C1 ZINC000862440760 589213084 /nfs/dbraw/zinc/21/30/84/589213084.db2.gz LBHRKMHOQVCGOC-CYBMUJFWSA-N 1 1 245.366 3.353 20 30 BGEDMO C=CC[C@H]1CC[N@H+](Cc2cccc(CC)c2O)C1 ZINC000862440761 589213010 /nfs/dbraw/zinc/21/30/10/589213010.db2.gz LBHRKMHOQVCGOC-ZDUSSCGKSA-N 1 1 245.366 3.353 20 30 BGEDMO C=CC[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000862441323 589213534 /nfs/dbraw/zinc/21/35/34/589213534.db2.gz QPJBANLXTOLUDU-CYBMUJFWSA-N 1 1 231.339 3.099 20 30 BGEDMO C=CC[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000862441324 589213564 /nfs/dbraw/zinc/21/35/64/589213564.db2.gz QPJBANLXTOLUDU-ZDUSSCGKSA-N 1 1 231.339 3.099 20 30 BGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000862441778 589213513 /nfs/dbraw/zinc/21/35/13/589213513.db2.gz WCPOPHPVFQVHGP-CYBMUJFWSA-N 1 1 231.339 3.099 20 30 BGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000862441779 589213586 /nfs/dbraw/zinc/21/35/86/589213586.db2.gz WCPOPHPVFQVHGP-ZDUSSCGKSA-N 1 1 231.339 3.099 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000862442197 589213580 /nfs/dbraw/zinc/21/35/80/589213580.db2.gz BEWVURJWXZPDTP-HNNXBMFYSA-N 1 1 227.351 3.149 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000862442279 589213448 /nfs/dbraw/zinc/21/34/48/589213448.db2.gz BEWVURJWXZPDTP-OAHLLOKOSA-N 1 1 227.351 3.149 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(C)c2C)C1 ZINC000862442487 636627191 /nfs/dbraw/zinc/62/71/91/636627191.db2.gz CQIJRLPLASEIMJ-HNNXBMFYSA-N 1 1 227.351 3.149 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(C)c2C)C1 ZINC000862442488 636626924 /nfs/dbraw/zinc/62/69/24/636626924.db2.gz CQIJRLPLASEIMJ-OAHLLOKOSA-N 1 1 227.351 3.149 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000862442505 589213438 /nfs/dbraw/zinc/21/34/38/589213438.db2.gz CZNBSKVFOYSYRB-HNNXBMFYSA-N 1 1 227.351 3.149 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000862442506 636626831 /nfs/dbraw/zinc/62/68/31/636626831.db2.gz CZNBSKVFOYSYRB-OAHLLOKOSA-N 1 1 227.351 3.149 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000862442647 589213175 /nfs/dbraw/zinc/21/31/75/589213175.db2.gz FBUDHPALGQNIQF-GFCCVEGCSA-N 1 1 233.742 3.185 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000862442648 589213163 /nfs/dbraw/zinc/21/31/63/589213163.db2.gz FBUDHPALGQNIQF-LBPRGKRZSA-N 1 1 233.742 3.185 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000862442955 589213590 /nfs/dbraw/zinc/21/35/90/589213590.db2.gz JEXKECVUGDDSTR-CYBMUJFWSA-N 1 1 245.391 3.254 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000862442956 589213388 /nfs/dbraw/zinc/21/33/88/589213388.db2.gz JEXKECVUGDDSTR-ZDUSSCGKSA-N 1 1 245.391 3.254 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000862442980 589213192 /nfs/dbraw/zinc/21/31/92/589213192.db2.gz JZQRNOUUSUUMTQ-GFCCVEGCSA-N 1 1 233.742 3.185 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000862442981 589213583 /nfs/dbraw/zinc/21/35/83/589213583.db2.gz JZQRNOUUSUUMTQ-LBPRGKRZSA-N 1 1 233.742 3.185 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000862443223 589213531 /nfs/dbraw/zinc/21/35/31/589213531.db2.gz MDBUIWAEZRTCGJ-GUTXKFCHSA-N 1 1 243.350 3.248 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000862443224 589213442 /nfs/dbraw/zinc/21/34/42/589213442.db2.gz MDBUIWAEZRTCGJ-GZBFAFLISA-N 1 1 243.350 3.248 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000862443225 589213720 /nfs/dbraw/zinc/21/37/20/589213720.db2.gz MDBUIWAEZRTCGJ-NFAWXSAZSA-N 1 1 243.350 3.248 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000862443226 589214173 /nfs/dbraw/zinc/21/41/73/589214173.db2.gz MDBUIWAEZRTCGJ-UMVBOHGHSA-N 1 1 243.350 3.248 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000862443450 589213747 /nfs/dbraw/zinc/21/37/47/589213747.db2.gz OWZGZBGAOIBHQZ-JTQLQIEISA-N 1 1 239.771 3.247 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000862443451 589213838 /nfs/dbraw/zinc/21/38/38/589213838.db2.gz OWZGZBGAOIBHQZ-SNVBAGLBSA-N 1 1 239.771 3.247 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000862443728 589213800 /nfs/dbraw/zinc/21/38/00/589213800.db2.gz SUQKIJOQYGYHBX-HNNXBMFYSA-N 1 1 227.351 3.149 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000862443729 589214164 /nfs/dbraw/zinc/21/41/64/589214164.db2.gz SUQKIJOQYGYHBX-OAHLLOKOSA-N 1 1 227.351 3.149 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000862443873 583963104 /nfs/dbraw/zinc/96/31/04/583963104.db2.gz VWGPMSCOWOSZQX-HNNXBMFYSA-N 1 1 227.351 3.149 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000862443874 583963042 /nfs/dbraw/zinc/96/30/42/583963042.db2.gz VWGPMSCOWOSZQX-OAHLLOKOSA-N 1 1 227.351 3.149 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000862444069 589214052 /nfs/dbraw/zinc/21/40/52/589214052.db2.gz XGYBBMKACAFGSW-GFCCVEGCSA-N 1 1 233.742 3.185 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000862444070 589213969 /nfs/dbraw/zinc/21/39/69/589213969.db2.gz XGYBBMKACAFGSW-LBPRGKRZSA-N 1 1 233.742 3.185 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000862444173 589213805 /nfs/dbraw/zinc/21/38/05/589213805.db2.gz ZBRUVXZCWFXVPE-CYBMUJFWSA-N 1 1 239.318 3.278 20 30 BGEDMO C#CC[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000862444174 589213789 /nfs/dbraw/zinc/21/37/89/589213789.db2.gz ZBRUVXZCWFXVPE-ZDUSSCGKSA-N 1 1 239.318 3.278 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000862444550 589213744 /nfs/dbraw/zinc/21/37/44/589213744.db2.gz BULRKLZKOSEYET-JTQLQIEISA-N 1 1 239.771 3.247 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000862444551 589213847 /nfs/dbraw/zinc/21/38/47/589213847.db2.gz BULRKLZKOSEYET-SNVBAGLBSA-N 1 1 239.771 3.247 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC000862444576 589213752 /nfs/dbraw/zinc/21/37/52/589213752.db2.gz CJULDQRKKYWDTM-CYBMUJFWSA-N 1 1 233.380 3.210 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC000862444577 589214032 /nfs/dbraw/zinc/21/40/32/589214032.db2.gz CJULDQRKKYWDTM-ZDUSSCGKSA-N 1 1 233.380 3.210 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000862444708 589214313 /nfs/dbraw/zinc/21/43/13/589214313.db2.gz FVSCGRDILLSEJK-JTQLQIEISA-N 1 1 239.771 3.247 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000862444709 589214480 /nfs/dbraw/zinc/21/44/80/589214480.db2.gz FVSCGRDILLSEJK-SNVBAGLBSA-N 1 1 239.771 3.247 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000862444804 589214618 /nfs/dbraw/zinc/21/46/18/589214618.db2.gz HEKIEYIKJFNALY-CYBMUJFWSA-N 1 1 239.318 3.278 20 30 BGEDMO C#CC[C@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000862444805 589214267 /nfs/dbraw/zinc/21/42/67/589214267.db2.gz HEKIEYIKJFNALY-ZDUSSCGKSA-N 1 1 239.318 3.278 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000862444832 589214641 /nfs/dbraw/zinc/21/46/41/589214641.db2.gz HOTDNXKZIZPDMC-DJIMGWMZSA-N 1 1 239.362 3.135 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000862444836 589214246 /nfs/dbraw/zinc/21/42/46/589214246.db2.gz HOTDNXKZIZPDMC-HYVNUMGLSA-N 1 1 239.362 3.135 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000862444838 589214366 /nfs/dbraw/zinc/21/43/66/589214366.db2.gz HOTDNXKZIZPDMC-OIISXLGYSA-N 1 1 239.362 3.135 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000862444840 589214290 /nfs/dbraw/zinc/21/42/90/589214290.db2.gz HOTDNXKZIZPDMC-PVAVHDDUSA-N 1 1 239.362 3.135 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000862444870 589214662 /nfs/dbraw/zinc/21/46/62/589214662.db2.gz HUNVRFZKPQUTAT-CYBMUJFWSA-N 1 1 238.334 3.013 20 30 BGEDMO C#CC[C@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000862444871 589214343 /nfs/dbraw/zinc/21/43/43/589214343.db2.gz HUNVRFZKPQUTAT-ZDUSSCGKSA-N 1 1 238.334 3.013 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC000862445068 589214489 /nfs/dbraw/zinc/21/44/89/589214489.db2.gz LFERYIAFAQZLFS-HNNXBMFYSA-N 1 1 227.351 3.149 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC000862445069 589214286 /nfs/dbraw/zinc/21/42/86/589214286.db2.gz LFERYIAFAQZLFS-OAHLLOKOSA-N 1 1 227.351 3.149 20 30 BGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000862445090 589214316 /nfs/dbraw/zinc/21/43/16/589214316.db2.gz LOIPSQQCPXXPCX-AWEZNQCLSA-N 1 1 239.362 3.409 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000862445091 589214391 /nfs/dbraw/zinc/21/43/91/589214391.db2.gz LOIPSQQCPXXPCX-CQSZACIVSA-N 1 1 239.362 3.409 20 30 BGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)Cc2ccsc2)C1 ZINC000862445114 583963085 /nfs/dbraw/zinc/96/30/85/583963085.db2.gz MCZOCHCSBAKFPK-CHWSQXEVSA-N 1 1 233.380 3.024 20 30 BGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)Cc2ccsc2)C1 ZINC000862445115 583963182 /nfs/dbraw/zinc/96/31/82/583963182.db2.gz MCZOCHCSBAKFPK-OLZOCXBDSA-N 1 1 233.380 3.024 20 30 BGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000862445116 583962963 /nfs/dbraw/zinc/96/29/63/583962963.db2.gz MCZOCHCSBAKFPK-QWHCGFSZSA-N 1 1 233.380 3.024 20 30 BGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000862445117 583962908 /nfs/dbraw/zinc/96/29/08/583962908.db2.gz MCZOCHCSBAKFPK-STQMWFEESA-N 1 1 233.380 3.024 20 30 BGEDMO C#CC[C@H]1CC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000862445142 589214411 /nfs/dbraw/zinc/21/44/11/589214411.db2.gz MTDBHPXSDITRKT-KBPBESRZSA-N 1 1 245.341 3.274 20 30 BGEDMO C#CC[C@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000862445143 589214249 /nfs/dbraw/zinc/21/42/49/589214249.db2.gz MTDBHPXSDITRKT-KGLIPLIRSA-N 1 1 245.341 3.274 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000862445144 589214449 /nfs/dbraw/zinc/21/44/49/589214449.db2.gz MTDBHPXSDITRKT-UONOGXRCSA-N 1 1 245.341 3.274 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000862445145 589214362 /nfs/dbraw/zinc/21/43/62/589214362.db2.gz MTDBHPXSDITRKT-ZIAGYGMSSA-N 1 1 245.341 3.274 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000862445178 589214400 /nfs/dbraw/zinc/21/44/00/589214400.db2.gz NNKHASOXPJSINO-JTQLQIEISA-N 1 1 239.771 3.247 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000862445179 589214270 /nfs/dbraw/zinc/21/42/70/589214270.db2.gz NNKHASOXPJSINO-SNVBAGLBSA-N 1 1 239.771 3.247 20 30 BGEDMO C#CC[C@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000862445480 583962759 /nfs/dbraw/zinc/96/27/59/583962759.db2.gz VAGICFMFUXFBSV-CABCVRRESA-N 1 1 227.351 3.135 20 30 BGEDMO C#CC[C@H]1CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000862445481 583963013 /nfs/dbraw/zinc/96/30/13/583963013.db2.gz VAGICFMFUXFBSV-GJZGRUSLSA-N 1 1 227.351 3.135 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000862445482 583962774 /nfs/dbraw/zinc/96/27/74/583962774.db2.gz VAGICFMFUXFBSV-HUUCEWRRSA-N 1 1 227.351 3.135 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000862445483 583963198 /nfs/dbraw/zinc/96/31/98/583963198.db2.gz VAGICFMFUXFBSV-LSDHHAIUSA-N 1 1 227.351 3.135 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000862445532 589214904 /nfs/dbraw/zinc/21/49/04/589214904.db2.gz WRRXOLRJQZYBRR-CXSQMQJXSA-N 1 1 225.335 3.045 20 30 BGEDMO C#CC[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000862445533 589214889 /nfs/dbraw/zinc/21/48/89/589214889.db2.gz WRRXOLRJQZYBRR-DHINHOHASA-N 1 1 225.335 3.045 20 30 BGEDMO C#CC[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000862445534 589214801 /nfs/dbraw/zinc/21/48/01/589214801.db2.gz WRRXOLRJQZYBRR-DIEDAUMRSA-N 1 1 225.335 3.045 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000862445535 589214897 /nfs/dbraw/zinc/21/48/97/589214897.db2.gz WRRXOLRJQZYBRR-VGZDNEPHSA-N 1 1 225.335 3.045 20 30 BGEDMO C#CC[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000862445556 589214845 /nfs/dbraw/zinc/21/48/45/589214845.db2.gz WWULORDKJZANJY-QTLSWZBMSA-N 1 1 243.325 3.184 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000862445557 589214781 /nfs/dbraw/zinc/21/47/81/589214781.db2.gz WWULORDKJZANJY-SJDLMVEWSA-N 1 1 243.325 3.184 20 30 BGEDMO C#CC[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000862445558 589214836 /nfs/dbraw/zinc/21/48/36/589214836.db2.gz WWULORDKJZANJY-UJAVWCLSSA-N 1 1 243.325 3.184 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000862445559 589214793 /nfs/dbraw/zinc/21/47/93/589214793.db2.gz WWULORDKJZANJY-UYWPIULCSA-N 1 1 243.325 3.184 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC000862445600 589214901 /nfs/dbraw/zinc/21/49/01/589214901.db2.gz XULASCOYBZWCQI-GFCCVEGCSA-N 1 1 248.395 3.112 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC000862445601 589214766 /nfs/dbraw/zinc/21/47/66/589214766.db2.gz XULASCOYBZWCQI-LBPRGKRZSA-N 1 1 248.395 3.112 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000862445628 589214760 /nfs/dbraw/zinc/21/47/60/589214760.db2.gz YJFHAEKNTVBGEO-GFCCVEGCSA-N 1 1 248.395 3.112 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000862445629 589214838 /nfs/dbraw/zinc/21/48/38/589214838.db2.gz YJFHAEKNTVBGEO-LBPRGKRZSA-N 1 1 248.395 3.112 20 30 BGEDMO C#CC[C@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000862446652 645697716 /nfs/dbraw/zinc/69/77/16/645697716.db2.gz CCQWPRNDHPURRO-AWEZNQCLSA-N 1 1 239.362 3.021 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000862446654 645696374 /nfs/dbraw/zinc/69/63/74/645696374.db2.gz CCQWPRNDHPURRO-CQSZACIVSA-N 1 1 239.362 3.021 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000862446757 645696820 /nfs/dbraw/zinc/69/68/20/645696820.db2.gz DBVDETMLLUGSRD-GFCCVEGCSA-N 1 1 249.304 3.469 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000862446758 645697459 /nfs/dbraw/zinc/69/74/59/645697459.db2.gz DBVDETMLLUGSRD-LBPRGKRZSA-N 1 1 249.304 3.469 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000862447028 645695982 /nfs/dbraw/zinc/69/59/82/645695982.db2.gz GSMLPEDYTKRIAB-CYBMUJFWSA-N 1 1 238.334 3.013 20 30 BGEDMO C#CC[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000862447029 645697835 /nfs/dbraw/zinc/69/78/35/645697835.db2.gz GSMLPEDYTKRIAB-ZDUSSCGKSA-N 1 1 238.334 3.013 20 30 BGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000862447046 645696312 /nfs/dbraw/zinc/69/63/12/645696312.db2.gz HLRLTFWUJPCLAB-AWEZNQCLSA-N 1 1 239.362 3.409 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000862447047 645697665 /nfs/dbraw/zinc/69/76/65/645697665.db2.gz HLRLTFWUJPCLAB-CQSZACIVSA-N 1 1 239.362 3.409 20 30 BGEDMO C#CC[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000862447058 645696589 /nfs/dbraw/zinc/69/65/89/645696589.db2.gz HOTDNXKZIZPDMC-XIRDDKMYSA-N 1 1 239.362 3.135 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2c(F)cc(C)cc2F)C1 ZINC000862447234 645697620 /nfs/dbraw/zinc/69/76/20/645697620.db2.gz JYOBWOCSGODDAE-GFCCVEGCSA-N 1 1 249.304 3.118 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2c(F)cc(C)cc2F)C1 ZINC000862447235 645696225 /nfs/dbraw/zinc/69/62/25/645696225.db2.gz JYOBWOCSGODDAE-LBPRGKRZSA-N 1 1 249.304 3.118 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000862447249 645697653 /nfs/dbraw/zinc/69/76/53/645697653.db2.gz KKINWLYFLYVTST-CYBMUJFWSA-N 1 1 238.334 3.013 20 30 BGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000862447250 645697794 /nfs/dbraw/zinc/69/77/94/645697794.db2.gz KKINWLYFLYVTST-ZDUSSCGKSA-N 1 1 238.334 3.013 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000862447299 645696543 /nfs/dbraw/zinc/69/65/43/645696543.db2.gz LJNOPOHCMYKKKP-CYBMUJFWSA-N 1 1 238.334 3.013 20 30 BGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000862447300 645696025 /nfs/dbraw/zinc/69/60/25/645696025.db2.gz LJNOPOHCMYKKKP-ZDUSSCGKSA-N 1 1 238.334 3.013 20 30 BGEDMO C#CC[C@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000862447451 645697401 /nfs/dbraw/zinc/69/74/01/645697401.db2.gz MVDCRVIJALQKQD-AWEZNQCLSA-N 1 1 239.362 3.409 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000862447452 645697960 /nfs/dbraw/zinc/69/79/60/645697960.db2.gz MVDCRVIJALQKQD-CQSZACIVSA-N 1 1 239.362 3.409 20 30 BGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000862447458 645698084 /nfs/dbraw/zinc/69/80/84/645698084.db2.gz MYDGULHAALVIIN-CYBMUJFWSA-N 1 1 239.318 3.278 20 30 BGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000862447459 645697271 /nfs/dbraw/zinc/69/72/71/645697271.db2.gz MYDGULHAALVIIN-ZDUSSCGKSA-N 1 1 239.318 3.278 20 30 BGEDMO C#CC[C@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC000862447766 589215000 /nfs/dbraw/zinc/21/50/00/589215000.db2.gz QNAUBTNZIZEVJW-JTQLQIEISA-N 1 1 239.771 3.247 20 30 BGEDMO C#CC[C@@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC000862447767 589214970 /nfs/dbraw/zinc/21/49/70/589214970.db2.gz QNAUBTNZIZEVJW-SNVBAGLBSA-N 1 1 239.771 3.247 20 30 BGEDMO C#Cc1ccc(C[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000862467315 589216356 /nfs/dbraw/zinc/21/63/56/589216356.db2.gz RZQPWSKISBCXOM-UHFFFAOYSA-N 1 1 249.304 3.289 20 30 BGEDMO C[N@H+]1CCC(=NOCc2ccccc2)CC1(C)C ZINC000863076724 589254486 /nfs/dbraw/zinc/25/44/86/589254486.db2.gz FTQBTMKQPUZBRH-UHFFFAOYSA-N 1 1 246.354 3.063 20 30 BGEDMO CCC(=[NH+]OC/C=C/Cl)c1ccc(N)cc1 ZINC000863113051 589258166 /nfs/dbraw/zinc/25/81/66/589258166.db2.gz PGPHUSLMRNIGIK-UUOXLLFDSA-N 1 1 238.718 3.152 20 30 BGEDMO CCC(=[NH+]OC/C=C\Cl)c1ccc(N)cc1 ZINC000863113052 589258268 /nfs/dbraw/zinc/25/82/68/589258268.db2.gz PGPHUSLMRNIGIK-XXWJIRBXSA-N 1 1 238.718 3.152 20 30 BGEDMO CC1(C)CCCC(=[NH+]n2cccn2)CC1 ZINC000863162468 583979259 /nfs/dbraw/zinc/97/92/59/583979259.db2.gz KZOJIKWRVDDJKD-UHFFFAOYSA-N 1 1 205.305 3.078 20 30 BGEDMO c1cnn([NH+]=C2CCC(C3CCC3)CC2)c1 ZINC000863162485 589265665 /nfs/dbraw/zinc/26/56/65/589265665.db2.gz LTZAPPFVZWWFAY-UHFFFAOYSA-N 1 1 217.316 3.078 20 30 BGEDMO CCC(CCc1ccccc1)=[NH+]n1cccn1 ZINC000863162559 589265842 /nfs/dbraw/zinc/26/58/42/589265842.db2.gz PHNBHZBRWFQOGQ-UHFFFAOYSA-N 1 1 227.311 3.130 20 30 BGEDMO CC[C@@H]1CCCC(=[NH+]n2cccn2)CC1 ZINC000863162626 589265885 /nfs/dbraw/zinc/26/58/85/589265885.db2.gz SBMGLKLKMRVFDG-LLVKDONJSA-N 1 1 205.305 3.078 20 30 BGEDMO CC[C@H]1CCCC(=[NH+]n2cccn2)CC1 ZINC000863162627 589265752 /nfs/dbraw/zinc/26/57/52/589265752.db2.gz SBMGLKLKMRVFDG-NSHDSACASA-N 1 1 205.305 3.078 20 30 BGEDMO c1cnn([NH+]=C2CCC(=C3CCC3)CC2)c1 ZINC000863162677 589265876 /nfs/dbraw/zinc/26/58/76/589265876.db2.gz VCAJXHCKONTZBH-UHFFFAOYSA-N 1 1 215.300 3.142 20 30 BGEDMO c1cnn([NH+]=C2CC[C@@H](c3ccccc3)C2)c1 ZINC000863163483 583979625 /nfs/dbraw/zinc/97/96/25/583979625.db2.gz FTHSYUTVRHSMGH-CYBMUJFWSA-N 1 1 225.295 3.055 20 30 BGEDMO c1cnn([NH+]=C2CC[C@H](c3ccccc3)C2)c1 ZINC000863163484 583979847 /nfs/dbraw/zinc/97/98/47/583979847.db2.gz FTHSYUTVRHSMGH-ZDUSSCGKSA-N 1 1 225.295 3.055 20 30 BGEDMO c1cnn([NH+]=C2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000863163595 589266244 /nfs/dbraw/zinc/26/62/44/589266244.db2.gz JYAIBKOJSMFKRQ-AWEZNQCLSA-N 1 1 239.322 3.130 20 30 BGEDMO c1cnn([NH+]=C2CC[C@H](Cc3ccccc3)C2)c1 ZINC000863163596 589265993 /nfs/dbraw/zinc/26/59/93/589265993.db2.gz JYAIBKOJSMFKRQ-CQSZACIVSA-N 1 1 239.322 3.130 20 30 BGEDMO c1cnn([NH+]=C2CCC3(CCCC3)CC2)c1 ZINC000863163616 589266258 /nfs/dbraw/zinc/26/62/58/589266258.db2.gz KQAZYPCXLBBTGX-UHFFFAOYSA-N 1 1 217.316 3.222 20 30 BGEDMO CC(C)C1CCC(C=[NH+]n2cccn2)CC1 ZINC000863163679 589266383 /nfs/dbraw/zinc/26/63/83/589266383.db2.gz LYOOGPFHCGYTMR-UHFFFAOYSA-N 1 1 219.332 3.179 20 30 BGEDMO CC(=[NH+]n1cccn1)C1CCCCCC1 ZINC000863164119 589266720 /nfs/dbraw/zinc/26/67/20/589266720.db2.gz BCPWGWGQTWJRJT-UHFFFAOYSA-N 1 1 205.305 3.078 20 30 BGEDMO CC(=[NH+]n1cccn1)[C@@H](C)C1CCCCC1 ZINC000863164604 589266837 /nfs/dbraw/zinc/26/68/37/589266837.db2.gz PLZRWWHDCFWVJJ-LLVKDONJSA-N 1 1 219.332 3.324 20 30 BGEDMO CC(=[NH+]n1cccn1)[C@H](C)C1CCCCC1 ZINC000863164605 589266653 /nfs/dbraw/zinc/26/66/53/589266653.db2.gz PLZRWWHDCFWVJJ-NSHDSACASA-N 1 1 219.332 3.324 20 30 BGEDMO CCC1(C)CCC(=[NH+]n2cccn2)CC1 ZINC000863164629 589265141 /nfs/dbraw/zinc/26/51/41/589265141.db2.gz QAHLTDOFHQDXKX-UHFFFAOYSA-N 1 1 205.305 3.078 20 30 BGEDMO CC1(C)C(=[NH+]n2cccn2)C[C@@H]1c1ccccc1 ZINC000863164704 589266776 /nfs/dbraw/zinc/26/67/76/589266776.db2.gz SXBRRBNECDYLTN-CYBMUJFWSA-N 1 1 239.322 3.301 20 30 BGEDMO CC1(C)C(=[NH+]n2cccn2)C[C@H]1c1ccccc1 ZINC000863164705 589266650 /nfs/dbraw/zinc/26/66/50/589266650.db2.gz SXBRRBNECDYLTN-ZDUSSCGKSA-N 1 1 239.322 3.301 20 30 BGEDMO FC(F)(F)C1CCC(C=[NH+]n2cccn2)CC1 ZINC000863164904 589266735 /nfs/dbraw/zinc/26/67/35/589266735.db2.gz WNTWBFYCVNXPNB-UHFFFAOYSA-N 1 1 245.248 3.086 20 30 BGEDMO C[C@]1(c2ccccc2)CCC(=[NH+]n2cccn2)C1 ZINC000863164971 589266554 /nfs/dbraw/zinc/26/65/54/589266554.db2.gz YATSJERKLFNDJL-HNNXBMFYSA-N 1 1 239.322 3.229 20 30 BGEDMO C[C@@]1(c2ccccc2)CCC(=[NH+]n2cccn2)C1 ZINC000863164973 589266891 /nfs/dbraw/zinc/26/68/91/589266891.db2.gz YATSJERKLFNDJL-OAHLLOKOSA-N 1 1 239.322 3.229 20 30 BGEDMO CC(C[C@H](C)CC(C)C)=[NH+]n1cccn1 ZINC000863165013 589266939 /nfs/dbraw/zinc/26/69/39/589266939.db2.gz YUCIYIAMEANGTJ-LLVKDONJSA-N 1 1 207.321 3.179 20 30 BGEDMO CC(C[C@@H](C)CC(C)C)=[NH+]n1cccn1 ZINC000863165014 589266679 /nfs/dbraw/zinc/26/66/79/589266679.db2.gz YUCIYIAMEANGTJ-NSHDSACASA-N 1 1 207.321 3.179 20 30 BGEDMO CC(C)=CCC[C@@H](C)CC=[NH+]n1cccn1 ZINC000863165475 589266609 /nfs/dbraw/zinc/26/66/09/589266609.db2.gz AZRCYKAYMQBRQW-CYBMUJFWSA-N 1 1 219.332 3.490 20 30 BGEDMO CC(C)=CCC[C@H](C)CC=[NH+]n1cccn1 ZINC000863165476 589266594 /nfs/dbraw/zinc/26/65/94/589266594.db2.gz AZRCYKAYMQBRQW-ZDUSSCGKSA-N 1 1 219.332 3.490 20 30 BGEDMO CC(=[NH+]n1cccn1)C(C)(C)c1ccc(F)cc1 ZINC000863165503 589266627 /nfs/dbraw/zinc/26/66/27/589266627.db2.gz BYUQGEQMTODTLB-UHFFFAOYSA-N 1 1 245.301 3.224 20 30 BGEDMO CC(CCC1CCCC1)=[NH+]n1cccn1 ZINC000863165528 589267155 /nfs/dbraw/zinc/26/71/55/589267155.db2.gz DFAGHALGCLCZGH-UHFFFAOYSA-N 1 1 205.305 3.078 20 30 BGEDMO c1cnn([NH+]=C2CCC(c3ccccc3)CC2)c1 ZINC000863165531 589267183 /nfs/dbraw/zinc/26/71/83/589267183.db2.gz DNBKEIUHHOUXSK-UHFFFAOYSA-N 1 1 239.322 3.445 20 30 BGEDMO c1cnn([NH+]=C2CCC[C@H]2Cc2ccccc2)c1 ZINC000863165642 589267387 /nfs/dbraw/zinc/26/73/87/589267387.db2.gz JDMODUQSPSQWTD-AWEZNQCLSA-N 1 1 239.322 3.130 20 30 BGEDMO c1cnn([NH+]=C2CCC[C@@H]2Cc2ccccc2)c1 ZINC000863165643 589267204 /nfs/dbraw/zinc/26/72/04/589267204.db2.gz JDMODUQSPSQWTD-CQSZACIVSA-N 1 1 239.322 3.130 20 30 BGEDMO CC(CCc1cccc(C)c1)=[NH+]n1cccn1 ZINC000863165929 589267394 /nfs/dbraw/zinc/26/73/94/589267394.db2.gz PUEDRXTUQALMAG-UHFFFAOYSA-N 1 1 227.311 3.048 20 30 BGEDMO CC(CC(C)(C)c1ccccc1)=[NH+]n1cccn1 ZINC000863166079 589267389 /nfs/dbraw/zinc/26/73/89/589267389.db2.gz SJICXCFWXGCHMZ-UHFFFAOYSA-N 1 1 241.338 3.475 20 30 BGEDMO CC(C)(C)C1CCC(=[NH+]n2cccn2)CC1 ZINC000863166254 589267063 /nfs/dbraw/zinc/26/70/63/589267063.db2.gz VGMYMQGOIHYPNU-UHFFFAOYSA-N 1 1 219.332 3.324 20 30 BGEDMO CC(C)C(Cc1ccc(F)cc1)=[NH+]n1cccn1 ZINC000863166311 583980000 /nfs/dbraw/zinc/98/00/00/583980000.db2.gz XJRSENNTNHPLLH-UHFFFAOYSA-N 1 1 245.301 3.125 20 30 BGEDMO CC(C)Cc1ccccc1C[NH2+][C@H](C)CC#N ZINC000863376468 589285062 /nfs/dbraw/zinc/28/50/62/589285062.db2.gz BBMNRYVMLADIBB-CYBMUJFWSA-N 1 1 230.355 3.277 20 30 BGEDMO CC(C)Cc1ccccc1C[NH2+][C@@H](C)CC#N ZINC000863376469 589285209 /nfs/dbraw/zinc/28/52/09/589285209.db2.gz BBMNRYVMLADIBB-ZDUSSCGKSA-N 1 1 230.355 3.277 20 30 BGEDMO CCCCC(N)=[NH+]OCc1ccc(C)c(C#N)c1 ZINC000863455660 589289261 /nfs/dbraw/zinc/28/92/61/589289261.db2.gz QTFAECJFFFEORD-UHFFFAOYSA-N 1 1 245.326 3.055 20 30 BGEDMO C=CCCCCO[NH+]=C(N)CCC(F)(F)F ZINC000863491692 589294183 /nfs/dbraw/zinc/29/41/83/589294183.db2.gz UZBLPDRFYARMGT-UHFFFAOYSA-N 1 1 238.253 3.184 20 30 BGEDMO CCCCCCC[NH2+][C@H]1CCCCC[C@@H]1N ZINC000863539384 589295724 /nfs/dbraw/zinc/29/57/24/589295724.db2.gz AZSFBVZEARUTOR-KBPBESRZSA-N 1 1 226.408 3.206 20 30 BGEDMO CCCCCCC[NH2+][C@H]1CCCCC[C@H]1N ZINC000863539385 589295707 /nfs/dbraw/zinc/29/57/07/589295707.db2.gz AZSFBVZEARUTOR-KGLIPLIRSA-N 1 1 226.408 3.206 20 30 BGEDMO CCCCCCC[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000863539386 589295710 /nfs/dbraw/zinc/29/57/10/589295710.db2.gz AZSFBVZEARUTOR-UONOGXRCSA-N 1 1 226.408 3.206 20 30 BGEDMO CCCCCCC[NH2+][C@@H]1CCCCC[C@H]1N ZINC000863539387 589295800 /nfs/dbraw/zinc/29/58/00/589295800.db2.gz AZSFBVZEARUTOR-ZIAGYGMSSA-N 1 1 226.408 3.206 20 30 BGEDMO N#CCC[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863581667 589301270 /nfs/dbraw/zinc/30/12/70/589301270.db2.gz DXIUGRWRLXYQGN-UHFFFAOYSA-N 1 1 249.264 3.040 20 30 BGEDMO C=C(C)C[NH2+]Cc1c(Cl)cncc1Cl ZINC000865558104 589446449 /nfs/dbraw/zinc/44/64/49/589446449.db2.gz PHUXBVRABISQQB-UHFFFAOYSA-N 1 1 231.126 3.054 20 30 BGEDMO C=C(CC)C[NH2+]Cc1c(Cl)cncc1Cl ZINC000865593700 589449679 /nfs/dbraw/zinc/44/96/79/589449679.db2.gz OPYFZBBZVMZRLB-UHFFFAOYSA-N 1 1 245.153 3.444 20 30 BGEDMO C=C(CC)C[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000866369977 589488524 /nfs/dbraw/zinc/48/85/24/589488524.db2.gz QRAMSUQLGMFHCI-GXTWGEPZSA-N 1 1 235.302 3.014 20 30 BGEDMO C=C(CC)C[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866369978 589488476 /nfs/dbraw/zinc/48/84/76/589488476.db2.gz QRAMSUQLGMFHCI-JSGCOSHPSA-N 1 1 235.302 3.014 20 30 BGEDMO C=C(CC)C[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000866369979 589488593 /nfs/dbraw/zinc/48/85/93/589488593.db2.gz QRAMSUQLGMFHCI-OCCSQVGLSA-N 1 1 235.302 3.014 20 30 BGEDMO C=C(CC)C[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866369980 589488570 /nfs/dbraw/zinc/48/85/70/589488570.db2.gz QRAMSUQLGMFHCI-TZMCWYRMSA-N 1 1 235.302 3.014 20 30 BGEDMO C=CCCC(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000869379464 589602205 /nfs/dbraw/zinc/60/22/05/589602205.db2.gz XSZNPHSLIOUCAS-UHFFFAOYSA-N 1 1 233.311 3.016 20 30 BGEDMO C=CCCCC(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000869426736 583872326 /nfs/dbraw/zinc/87/23/26/583872326.db2.gz RRKGMPQHEODTLU-UHFFFAOYSA-N 1 1 247.338 3.406 20 30 BGEDMO C=CC(C)(C)C(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000869528622 583881070 /nfs/dbraw/zinc/88/10/70/583881070.db2.gz LLSUCDVDBGBZPV-UHFFFAOYSA-N 1 1 247.338 3.262 20 30 BGEDMO C[C@H](CC#N)[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC000871749599 636501291 /nfs/dbraw/zinc/50/12/91/636501291.db2.gz WKVQEVSTMXTRRC-GFCCVEGCSA-N 1 1 246.354 3.256 20 30 BGEDMO C[C@@H](CC#N)[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC000871749600 636501397 /nfs/dbraw/zinc/50/13/97/636501397.db2.gz WKVQEVSTMXTRRC-LBPRGKRZSA-N 1 1 246.354 3.256 20 30 BGEDMO N#CC1(CCO[NH+]=C(N)C2CCC2)CCCCC1 ZINC000871766135 589810823 /nfs/dbraw/zinc/81/08/23/589810823.db2.gz WILIMVCQGMKNGU-UHFFFAOYSA-N 1 1 249.358 3.149 20 30 BGEDMO C=CC(C)(C)CCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000872099496 589869247 /nfs/dbraw/zinc/86/92/47/589869247.db2.gz CABYPNJQGMMTOX-CYBMUJFWSA-N 1 1 247.386 3.369 20 30 BGEDMO C=CC(C)(C)CCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000872099497 589869475 /nfs/dbraw/zinc/86/94/75/589869475.db2.gz CABYPNJQGMMTOX-ZDUSSCGKSA-N 1 1 247.386 3.369 20 30 BGEDMO C=CC(C)(C)CCC[NH2+][C@H](C)c1cn[nH]c1C ZINC000872099798 583946869 /nfs/dbraw/zinc/94/68/69/583946869.db2.gz DOYWEJBDTVXWSI-LLVKDONJSA-N 1 1 235.375 3.361 20 30 BGEDMO C=CC(C)(C)CCC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000872099807 583946721 /nfs/dbraw/zinc/94/67/21/583946721.db2.gz DOYWEJBDTVXWSI-NSHDSACASA-N 1 1 235.375 3.361 20 30 BGEDMO C=CC(C)(C)CCC[NH2+]C1CCN(CC)CC1 ZINC000872102106 589870419 /nfs/dbraw/zinc/87/04/19/589870419.db2.gz PCELCDABJOAZOY-UHFFFAOYSA-N 1 1 238.419 3.053 20 30 BGEDMO C=CC(C)(C)CCC[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000872102651 589871485 /nfs/dbraw/zinc/87/14/85/589871485.db2.gz SAPDEONYZUSEOW-KBPBESRZSA-N 1 1 238.419 3.051 20 30 BGEDMO C=CC(C)(C)CCC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000872102652 589870989 /nfs/dbraw/zinc/87/09/89/589870989.db2.gz SAPDEONYZUSEOW-KGLIPLIRSA-N 1 1 238.419 3.051 20 30 BGEDMO C=CC(C)(C)CCC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000872102653 589871279 /nfs/dbraw/zinc/87/12/79/589871279.db2.gz SAPDEONYZUSEOW-UONOGXRCSA-N 1 1 238.419 3.051 20 30 BGEDMO C=CC(C)(C)CCC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000872102655 589871631 /nfs/dbraw/zinc/87/16/31/589871631.db2.gz SAPDEONYZUSEOW-ZIAGYGMSSA-N 1 1 238.419 3.051 20 30 BGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C(CC)CC)no1 ZINC000872175840 589888955 /nfs/dbraw/zinc/88/89/55/589888955.db2.gz UFPPUFQABQGYRU-SECBINFHSA-N 1 1 243.738 3.116 20 30 BGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C(CC)CC)no1 ZINC000872175841 589888861 /nfs/dbraw/zinc/88/88/61/589888861.db2.gz UFPPUFQABQGYRU-VIFPVBQESA-N 1 1 243.738 3.116 20 30 BGEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H](C)CCC)no1 ZINC000872176945 589888416 /nfs/dbraw/zinc/88/84/16/589888416.db2.gz WSCAMLCOJJGPPJ-APPZFPTMSA-N 1 1 243.738 3.116 20 30 BGEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H](C)CCC)no1 ZINC000872176946 589888448 /nfs/dbraw/zinc/88/84/48/589888448.db2.gz WSCAMLCOJJGPPJ-CBAPKCEASA-N 1 1 243.738 3.116 20 30 BGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H](C)CCC)no1 ZINC000872176947 589889019 /nfs/dbraw/zinc/88/90/19/589889019.db2.gz WSCAMLCOJJGPPJ-IONNQARKSA-N 1 1 243.738 3.116 20 30 BGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@H](C)CCC)no1 ZINC000872176948 589888584 /nfs/dbraw/zinc/88/85/84/589888584.db2.gz WSCAMLCOJJGPPJ-VXNVDRBHSA-N 1 1 243.738 3.116 20 30 BGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872277663 589905058 /nfs/dbraw/zinc/90/50/58/589905058.db2.gz UFTQFWYAUWJYAI-CYBMUJFWSA-N 1 1 243.778 3.163 20 30 BGEDMO C=C(Cl)C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872277664 589904913 /nfs/dbraw/zinc/90/49/13/589904913.db2.gz UFTQFWYAUWJYAI-ZDUSSCGKSA-N 1 1 243.778 3.163 20 30 BGEDMO C=CCCC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278717 589905315 /nfs/dbraw/zinc/90/53/15/589905315.db2.gz YRVYRNJILZCVTC-HNNXBMFYSA-N 1 1 237.387 3.376 20 30 BGEDMO C=CCCC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278718 589904899 /nfs/dbraw/zinc/90/48/99/589904899.db2.gz YRVYRNJILZCVTC-OAHLLOKOSA-N 1 1 237.387 3.376 20 30 BGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279483 589904788 /nfs/dbraw/zinc/90/47/88/589904788.db2.gz GXMXEBPJBFWLRJ-GDBMZVCRSA-N 1 1 249.398 3.212 20 30 BGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279489 589905212 /nfs/dbraw/zinc/90/52/12/589905212.db2.gz GXMXEBPJBFWLRJ-GOEBONIOSA-N 1 1 249.398 3.212 20 30 BGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279490 589905150 /nfs/dbraw/zinc/90/51/50/589905150.db2.gz GXMXEBPJBFWLRJ-HOCLYGCPSA-N 1 1 249.398 3.212 20 30 BGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279492 589905163 /nfs/dbraw/zinc/90/51/63/589905163.db2.gz GXMXEBPJBFWLRJ-ZBFHGGJFSA-N 1 1 249.398 3.212 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279769 589905129 /nfs/dbraw/zinc/90/51/29/589905129.db2.gz HFXQTECEXZQPDC-HNNXBMFYSA-N 1 1 237.387 3.376 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279770 589905242 /nfs/dbraw/zinc/90/52/42/589905242.db2.gz HFXQTECEXZQPDC-OAHLLOKOSA-N 1 1 237.387 3.376 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872280584 589904836 /nfs/dbraw/zinc/90/48/36/589904836.db2.gz NHSRDPWPWHLZLF-HNNXBMFYSA-N 1 1 237.387 3.376 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872280586 589905105 /nfs/dbraw/zinc/90/51/05/589905105.db2.gz NHSRDPWPWHLZLF-OAHLLOKOSA-N 1 1 237.387 3.376 20 30 BGEDMO CNc1ccccc1C=[NH+]OCCC(F)(F)F ZINC000872366382 589921225 /nfs/dbraw/zinc/92/12/25/589921225.db2.gz WUVSFJZYVNRQBN-UHFFFAOYSA-N 1 1 246.232 3.031 20 30 BGEDMO 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C=C(C)C[N@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000877166103 590295044 /nfs/dbraw/zinc/29/50/44/590295044.db2.gz VQYWQIIQHSIMIE-UHFFFAOYSA-N 1 1 244.313 3.382 20 30 BGEDMO C#CCCCCCC[N@H+](C)Cc1cccnc1 ZINC000877167983 590295490 /nfs/dbraw/zinc/29/54/90/590295490.db2.gz BXQGAWLJEFEJDR-UHFFFAOYSA-N 1 1 230.355 3.097 20 30 BGEDMO C#CCCCCCC[N@H+]1CCCSCC1 ZINC000877171084 590296136 /nfs/dbraw/zinc/29/61/36/590296136.db2.gz YMHXDJGXJNMWHO-UHFFFAOYSA-N 1 1 225.401 3.009 20 30 BGEDMO C#CCCCCCC[N@@H+]1CCC=C(F)C1 ZINC000877175196 590296545 /nfs/dbraw/zinc/29/65/45/590296545.db2.gz ZVVZMXADROQARG-UHFFFAOYSA-N 1 1 209.308 3.129 20 30 BGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](OC)CC1 ZINC000877196726 590300180 /nfs/dbraw/zinc/30/01/80/590300180.db2.gz IIQPQLCKEYXTBN-HNNXBMFYSA-N 1 1 237.387 3.071 20 30 BGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](OC)CC1 ZINC000877196727 590300249 /nfs/dbraw/zinc/30/02/49/590300249.db2.gz IIQPQLCKEYXTBN-OAHLLOKOSA-N 1 1 237.387 3.071 20 30 BGEDMO CSC(C)(C)CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000877311533 590313232 /nfs/dbraw/zinc/31/32/32/590313232.db2.gz XUIAQXRLXKKPDP-CYBMUJFWSA-N 1 1 240.416 3.144 20 30 BGEDMO CSC(C)(C)CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000877311534 590313538 /nfs/dbraw/zinc/31/35/38/590313538.db2.gz XUIAQXRLXKKPDP-ZDUSSCGKSA-N 1 1 240.416 3.144 20 30 BGEDMO C#CCCCCCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000877311890 590313072 /nfs/dbraw/zinc/31/30/72/590313072.db2.gz ZSHYHSKHONTOBC-HNNXBMFYSA-N 1 1 232.371 3.196 20 30 BGEDMO C#CCCCCCC[N@H+](C)CCc1ccccn1 ZINC000877317774 590314061 /nfs/dbraw/zinc/31/40/61/590314061.db2.gz ANOBFPRDXCXXTP-UHFFFAOYSA-N 1 1 244.382 3.140 20 30 BGEDMO C#CCCCCCC[N@H+](C)Cc1ccncc1 ZINC000877318339 590313830 /nfs/dbraw/zinc/31/38/30/590313830.db2.gz XWNZRKYDNYKCOL-UHFFFAOYSA-N 1 1 230.355 3.097 20 30 BGEDMO C#CCCCCCC[N@H+](C)CCc1ccncc1 ZINC000877318851 590313876 /nfs/dbraw/zinc/31/38/76/590313876.db2.gz LTIKZKYYLDXVBH-UHFFFAOYSA-N 1 1 244.382 3.140 20 30 BGEDMO C#CCCCCCC[N@H+](C)Cc1ccccn1 ZINC000877319125 590314498 /nfs/dbraw/zinc/31/44/98/590314498.db2.gz OCSJVCQGLFRGGO-UHFFFAOYSA-N 1 1 230.355 3.097 20 30 BGEDMO C[C@H](C#N)C[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC000877321077 590315532 /nfs/dbraw/zinc/31/55/32/590315532.db2.gz CYQRQNXLGZNMGN-GFCCVEGCSA-N 1 1 246.354 3.113 20 30 BGEDMO C[C@@H](C#N)C[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC000877321078 590315660 /nfs/dbraw/zinc/31/56/60/590315660.db2.gz CYQRQNXLGZNMGN-LBPRGKRZSA-N 1 1 246.354 3.113 20 30 BGEDMO CCCOc1ccc(C[NH2+]C[C@H](C)C#N)cc1C ZINC000877321507 590316437 /nfs/dbraw/zinc/31/64/37/590316437.db2.gz MVBUGAARYRKQIV-GFCCVEGCSA-N 1 1 246.354 3.033 20 30 BGEDMO CCCOc1ccc(C[NH2+]C[C@@H](C)C#N)cc1C ZINC000877321508 590316576 /nfs/dbraw/zinc/31/65/76/590316576.db2.gz MVBUGAARYRKQIV-LBPRGKRZSA-N 1 1 246.354 3.033 20 30 BGEDMO Cc1c(Cl)cccc1C[NH2+]CC(C)(C)C#N ZINC000877323296 590316806 /nfs/dbraw/zinc/31/68/06/590316806.db2.gz LDWHOLYQEFFRMM-UHFFFAOYSA-N 1 1 236.746 3.288 20 30 BGEDMO C=CC[N@H+](CCC(C)(C)SC)C1CC1 ZINC000877330287 590318041 /nfs/dbraw/zinc/31/80/41/590318041.db2.gz ZMONAXRHVKCANS-UHFFFAOYSA-N 1 1 213.390 3.169 20 30 BGEDMO C#CCCCCCC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000877345200 590318530 /nfs/dbraw/zinc/31/85/30/590318530.db2.gz XZSZJRKVEZCSTC-AWEZNQCLSA-N 1 1 245.370 3.130 20 30 BGEDMO C#CCCCCCC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000877345201 590318754 /nfs/dbraw/zinc/31/87/54/590318754.db2.gz XZSZJRKVEZCSTC-CQSZACIVSA-N 1 1 245.370 3.130 20 30 BGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(Cl)c1C ZINC000877363452 590318574 /nfs/dbraw/zinc/31/85/74/590318574.db2.gz FDDLBALCOWAHEC-GFCCVEGCSA-N 1 1 236.746 3.430 20 30 BGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(Cl)c1C ZINC000877363453 590318592 /nfs/dbraw/zinc/31/85/92/590318592.db2.gz FDDLBALCOWAHEC-LBPRGKRZSA-N 1 1 236.746 3.430 20 30 BGEDMO C=CC[N@H+](C)Cc1ccc(OC(F)F)cc1F ZINC000877426699 590325638 /nfs/dbraw/zinc/32/56/38/590325638.db2.gz QDKZGPKIEUVSPX-UHFFFAOYSA-N 1 1 245.244 3.045 20 30 BGEDMO C=CC[N@@H+](C)Cc1ccc(OC(F)F)cc1F ZINC000877426699 590325635 /nfs/dbraw/zinc/32/56/35/590325635.db2.gz QDKZGPKIEUVSPX-UHFFFAOYSA-N 1 1 245.244 3.045 20 30 BGEDMO C=CC[N@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877426704 590325349 /nfs/dbraw/zinc/32/53/49/590325349.db2.gz QESBGYZMMMBZDL-UHFFFAOYSA-N 1 1 236.702 3.099 20 30 BGEDMO C#CCCCCCC[N@H+]1CCc2ncsc2C1 ZINC000877462544 590332123 /nfs/dbraw/zinc/33/21/23/590332123.db2.gz SMDPREFRQQXKLP-UHFFFAOYSA-N 1 1 248.395 3.085 20 30 BGEDMO C=CCC[N@H+](C)CCC(C)(C)SC ZINC000877464393 590332698 /nfs/dbraw/zinc/33/26/98/590332698.db2.gz IVDWKYVNFYPFRN-UHFFFAOYSA-N 1 1 201.379 3.026 20 30 BGEDMO C=CCC[N@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000877464515 645797407 /nfs/dbraw/zinc/79/74/07/645797407.db2.gz KSWWFKBYELATHG-UHFFFAOYSA-N 1 1 244.313 3.382 20 30 BGEDMO C#CCCCCCC[N@H+](C)Cc1ccc(C)cn1 ZINC000877469032 590333190 /nfs/dbraw/zinc/33/31/90/590333190.db2.gz QBIFOIFHGZYBCP-UHFFFAOYSA-N 1 1 244.382 3.406 20 30 BGEDMO Cc1cc(C)c(/C=C/C[NH2+]CCC#N)c(C)c1 ZINC000877483034 590338228 /nfs/dbraw/zinc/33/82/28/590338228.db2.gz JAGUDHQQPUHZIS-GQCTYLIASA-N 1 1 228.339 3.128 20 30 BGEDMO Cc1cc(C)c(/C=C\C[NH2+]CCC#N)c(C)c1 ZINC000877483042 590338117 /nfs/dbraw/zinc/33/81/17/590338117.db2.gz JAGUDHQQPUHZIS-XQRVVYSFSA-N 1 1 228.339 3.128 20 30 BGEDMO N#CCC[NH2+]Cc1cccc(CC2CCC2)c1 ZINC000877483078 590338141 /nfs/dbraw/zinc/33/81/41/590338141.db2.gz JLWYVCZBXDKXFC-UHFFFAOYSA-N 1 1 228.339 3.032 20 30 BGEDMO Cc1cc(C)c(/C=C\C[NH2+]CCC#N)cc1C ZINC000877484116 645798082 /nfs/dbraw/zinc/79/80/82/645798082.db2.gz VUDGTHGCLLSJRZ-XQRVVYSFSA-N 1 1 228.339 3.128 20 30 BGEDMO C#CCCCCCC[N@H+](C)Cc1cnccc1C ZINC000877491321 590339553 /nfs/dbraw/zinc/33/95/53/590339553.db2.gz IRVIAKNWRVPFNP-UHFFFAOYSA-N 1 1 244.382 3.406 20 30 BGEDMO C#CCCCCCC[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC000877499180 590341995 /nfs/dbraw/zinc/34/19/95/590341995.db2.gz MCJVYONMFNFFFZ-CABCVRRESA-N 1 1 237.387 3.069 20 30 BGEDMO C#CCCCCCC[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC000877499181 590341823 /nfs/dbraw/zinc/34/18/23/590341823.db2.gz MCJVYONMFNFFFZ-GJZGRUSLSA-N 1 1 237.387 3.069 20 30 BGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC000877499182 590341101 /nfs/dbraw/zinc/34/11/01/590341101.db2.gz MCJVYONMFNFFFZ-HUUCEWRRSA-N 1 1 237.387 3.069 20 30 BGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000877499183 590341075 /nfs/dbraw/zinc/34/10/75/590341075.db2.gz MCJVYONMFNFFFZ-LSDHHAIUSA-N 1 1 237.387 3.069 20 30 BGEDMO C#CCCCCCC[N@H+]1CCCO[C@@H](CC)C1 ZINC000877501020 590341956 /nfs/dbraw/zinc/34/19/56/590341956.db2.gz LBWDWMHLRGIDPC-HNNXBMFYSA-N 1 1 237.387 3.071 20 30 BGEDMO C#CCCCCCC[N@H+]1CCCO[C@H](CC)C1 ZINC000877501021 590342003 /nfs/dbraw/zinc/34/20/03/590342003.db2.gz LBWDWMHLRGIDPC-OAHLLOKOSA-N 1 1 237.387 3.071 20 30 BGEDMO C#CCCCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000877507910 590343135 /nfs/dbraw/zinc/34/31/35/590343135.db2.gz SGNUSBLOWBFJRM-CVEARBPZSA-N 1 1 249.398 3.214 20 30 BGEDMO C#CCCCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000877507911 590343108 /nfs/dbraw/zinc/34/31/08/590343108.db2.gz SGNUSBLOWBFJRM-HOTGVXAUSA-N 1 1 249.398 3.214 20 30 BGEDMO C#CCCCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000877507912 590342844 /nfs/dbraw/zinc/34/28/44/590342844.db2.gz SGNUSBLOWBFJRM-HZPDHXFCSA-N 1 1 249.398 3.214 20 30 BGEDMO C#CCCCCCC[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000877507913 590342558 /nfs/dbraw/zinc/34/25/58/590342558.db2.gz SGNUSBLOWBFJRM-JKSUJKDBSA-N 1 1 249.398 3.214 20 30 BGEDMO C#CCCCCCC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000877508047 590342941 /nfs/dbraw/zinc/34/29/41/590342941.db2.gz QOAXVSDCDVEJOW-INIZCTEOSA-N 1 1 249.398 3.073 20 30 BGEDMO C#CCCCCCC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000877508048 590343111 /nfs/dbraw/zinc/34/31/11/590343111.db2.gz QOAXVSDCDVEJOW-MRXNPFEDSA-N 1 1 249.398 3.073 20 30 BGEDMO C#CCCCCCC[N@H+](CC)Cc1ccncc1 ZINC000877523998 590346617 /nfs/dbraw/zinc/34/66/17/590346617.db2.gz PHCUGGIZQZGNLT-UHFFFAOYSA-N 1 1 244.382 3.487 20 30 BGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](C)CCC#N ZINC000877524105 590346531 /nfs/dbraw/zinc/34/65/31/590346531.db2.gz RCLDBDSUCOULRN-HNNXBMFYSA-N 1 1 240.350 3.062 20 30 BGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](C)CCC#N ZINC000877524106 590346857 /nfs/dbraw/zinc/34/68/57/590346857.db2.gz RCLDBDSUCOULRN-OAHLLOKOSA-N 1 1 240.350 3.062 20 30 BGEDMO C[C@H](CCC#N)CNc1cc(C2CC2)cc[nH+]1 ZINC000877540819 590351402 /nfs/dbraw/zinc/35/14/02/590351402.db2.gz IJXOKCWTOGNJER-LLVKDONJSA-N 1 1 229.327 3.311 20 30 BGEDMO C[C@@H](CCC#N)CNc1cc(C2CC2)cc[nH+]1 ZINC000877540820 590352311 /nfs/dbraw/zinc/35/23/11/590352311.db2.gz IJXOKCWTOGNJER-NSHDSACASA-N 1 1 229.327 3.311 20 30 BGEDMO N#CC1CCC(Nc2cc(C3CC3)cc[nH+]2)CC1 ZINC000877541359 590352280 /nfs/dbraw/zinc/35/22/80/590352280.db2.gz NVFVZRVHFCZKQG-UHFFFAOYSA-N 1 1 241.338 3.453 20 30 BGEDMO C#CCCCCCC[N@H+](C(C)C)[C@H]1CCOC1 ZINC000877542249 590351825 /nfs/dbraw/zinc/35/18/25/590351825.db2.gz QVKGEVQHZWWEOK-HNNXBMFYSA-N 1 1 237.387 3.069 20 30 BGEDMO C#CCCCCCC[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000877542250 590351790 /nfs/dbraw/zinc/35/17/90/590351790.db2.gz QVKGEVQHZWWEOK-OAHLLOKOSA-N 1 1 237.387 3.069 20 30 BGEDMO C#CCCCCCC[N@H+](C)CC(C)(C)C#N ZINC000877548736 590354283 /nfs/dbraw/zinc/35/42/83/590354283.db2.gz ABLJUEYMLWTXFW-UHFFFAOYSA-N 1 1 220.360 3.052 20 30 BGEDMO C[N@@H+](CC(C)(C)C#N)CC1(C)CCCC1 ZINC000877549475 590354763 /nfs/dbraw/zinc/35/47/63/590354763.db2.gz CZCHOKLSMHDISB-UHFFFAOYSA-N 1 1 208.349 3.048 20 30 BGEDMO C#CCCCCCC[N@H+](C)Cc1conc1CC ZINC000877551782 590355872 /nfs/dbraw/zinc/35/58/72/590355872.db2.gz CCHKQRFIFZWANB-UHFFFAOYSA-N 1 1 248.370 3.253 20 30 BGEDMO C#CCCCCCC[N@H+]1CC[C@H]1C1CC1 ZINC000877562315 590360209 /nfs/dbraw/zinc/36/02/09/590360209.db2.gz RLKWCQVEOIKZHQ-AWEZNQCLSA-N 1 1 205.345 3.054 20 30 BGEDMO C#CCCCCCC[N@H+]1CC[C@@H]1C1CC1 ZINC000877562316 590359686 /nfs/dbraw/zinc/35/96/86/590359686.db2.gz RLKWCQVEOIKZHQ-CQSZACIVSA-N 1 1 205.345 3.054 20 30 BGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](SC)C1 ZINC000877564010 590361025 /nfs/dbraw/zinc/36/10/25/590361025.db2.gz VQHWJHMNIZQYKT-CYBMUJFWSA-N 1 1 225.401 3.007 20 30 BGEDMO C#CCCCCCC[N@@H+]1CC[C@H](SC)C1 ZINC000877564011 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C=C/C=C\CC[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432175 590769045 /nfs/dbraw/zinc/76/90/45/590769045.db2.gz DYJPQRQHEMGSEQ-PLNGDYQASA-N 1 1 240.350 3.165 20 30 BGEDMO C=C/C=C/CC[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432176 590768453 /nfs/dbraw/zinc/76/84/53/590768453.db2.gz DYJPQRQHEMGSEQ-SNAWJCMRSA-N 1 1 240.350 3.165 20 30 BGEDMO C[N@@H+](CCc1cccc(C#N)c1)CC1=CCCC1 ZINC000879432226 590768407 /nfs/dbraw/zinc/76/84/07/590768407.db2.gz GBUSZMFNKCKVHT-UHFFFAOYSA-N 1 1 240.350 3.143 20 30 BGEDMO C[N@@H+](CCCCCF)CCc1cccc(C#N)c1 ZINC000879432792 590769392 /nfs/dbraw/zinc/76/93/92/590769392.db2.gz GXBSAVOVMRBNTJ-UHFFFAOYSA-N 1 1 248.345 3.172 20 30 BGEDMO CCC[C@@H](C)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432828 590768368 /nfs/dbraw/zinc/76/83/68/590768368.db2.gz INJYURKJNBJRTD-CYBMUJFWSA-N 1 1 230.355 3.221 20 30 BGEDMO CCC[C@H](C)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432829 590769218 /nfs/dbraw/zinc/76/92/18/590769218.db2.gz INJYURKJNBJRTD-ZDUSSCGKSA-N 1 1 230.355 3.221 20 30 BGEDMO C[N@@H+](CCc1cccc(C#N)c1)[C@H]1C=CCCC1 ZINC000879434834 590770218 /nfs/dbraw/zinc/77/02/18/590770218.db2.gz ZKDCGZARSABTNY-INIZCTEOSA-N 1 1 240.350 3.141 20 30 BGEDMO C[N@@H+](CCc1cccc(C#N)c1)[C@@H]1C=CCCC1 ZINC000879434841 590770571 /nfs/dbraw/zinc/77/05/71/590770571.db2.gz ZKDCGZARSABTNY-MRXNPFEDSA-N 1 1 240.350 3.141 20 30 BGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000879471955 590775604 /nfs/dbraw/zinc/77/56/04/590775604.db2.gz KYCXEMMVRHVQAZ-DZGCQCFKSA-N 1 1 237.387 3.375 20 30 BGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000879471956 590775656 /nfs/dbraw/zinc/77/56/56/590775656.db2.gz KYCXEMMVRHVQAZ-HIFRSBDPSA-N 1 1 237.387 3.375 20 30 BGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000879471957 590774549 /nfs/dbraw/zinc/77/45/49/590774549.db2.gz KYCXEMMVRHVQAZ-UKRRQHHQSA-N 1 1 237.387 3.375 20 30 BGEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000879471958 590774427 /nfs/dbraw/zinc/77/44/27/590774427.db2.gz KYCXEMMVRHVQAZ-ZFWWWQNUSA-N 1 1 237.387 3.375 20 30 BGEDMO N#CCCC[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879477414 590777486 /nfs/dbraw/zinc/77/74/86/590777486.db2.gz GYLASVMLTCQXGC-HNNXBMFYSA-N 1 1 246.329 3.251 20 30 BGEDMO N#CCCC[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879477414 590777483 /nfs/dbraw/zinc/77/74/83/590777483.db2.gz GYLASVMLTCQXGC-HNNXBMFYSA-N 1 1 246.329 3.251 20 30 BGEDMO N#CCCC[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879477416 590777821 /nfs/dbraw/zinc/77/78/21/590777821.db2.gz GYLASVMLTCQXGC-OAHLLOKOSA-N 1 1 246.329 3.251 20 30 BGEDMO N#CCCC[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879477416 590777816 /nfs/dbraw/zinc/77/78/16/590777816.db2.gz GYLASVMLTCQXGC-OAHLLOKOSA-N 1 1 246.329 3.251 20 30 BGEDMO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529602 590790820 /nfs/dbraw/zinc/79/08/20/590790820.db2.gz SDGOXDMLLMWRHK-OKILXGFUSA-N 1 1 232.371 3.214 20 30 BGEDMO C=CCCCC[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879566774 711770045 /nfs/dbraw/zinc/77/00/45/711770045.db2.gz YEAQLDDAECKWCS-CHWSQXEVSA-N 1 1 225.401 3.028 20 30 BGEDMO C=CCCCC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879566775 711769920 /nfs/dbraw/zinc/76/99/20/711769920.db2.gz YEAQLDDAECKWCS-OLZOCXBDSA-N 1 1 225.401 3.028 20 30 BGEDMO C=CCCCC[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879566776 583439481 /nfs/dbraw/zinc/43/94/81/583439481.db2.gz YEAQLDDAECKWCS-QWHCGFSZSA-N 1 1 225.401 3.028 20 30 BGEDMO C=CCCCC[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879566777 583439827 /nfs/dbraw/zinc/43/98/27/583439827.db2.gz YEAQLDDAECKWCS-STQMWFEESA-N 1 1 225.401 3.028 20 30 BGEDMO CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1CCC#N ZINC000879640771 590842364 /nfs/dbraw/zinc/84/23/64/590842364.db2.gz QAHWXEWJXYUIEA-CYBMUJFWSA-N 1 1 246.329 3.307 20 30 BGEDMO CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1CCC#N ZINC000879640771 590842361 /nfs/dbraw/zinc/84/23/61/590842361.db2.gz QAHWXEWJXYUIEA-CYBMUJFWSA-N 1 1 246.329 3.307 20 30 BGEDMO CC1(C)[C@H](c2ccccc2F)CC[N@H+]1CCC#N ZINC000879640772 590841711 /nfs/dbraw/zinc/84/17/11/590841711.db2.gz QAHWXEWJXYUIEA-ZDUSSCGKSA-N 1 1 246.329 3.307 20 30 BGEDMO CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1CCC#N ZINC000879640772 590841709 /nfs/dbraw/zinc/84/17/09/590841709.db2.gz QAHWXEWJXYUIEA-ZDUSSCGKSA-N 1 1 246.329 3.307 20 30 BGEDMO CC#CCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879724703 590856745 /nfs/dbraw/zinc/85/67/45/590856745.db2.gz NNABOECPWIBTAE-UHFFFAOYSA-N 1 1 226.323 3.013 20 30 BGEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879724825 590856942 /nfs/dbraw/zinc/85/69/42/590856942.db2.gz PSNORNGJCDWBPV-GFCCVEGCSA-N 1 1 241.338 3.292 20 30 BGEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879724831 590856694 /nfs/dbraw/zinc/85/66/94/590856694.db2.gz PSNORNGJCDWBPV-LBPRGKRZSA-N 1 1 241.338 3.292 20 30 BGEDMO C#CCCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879725285 590856827 /nfs/dbraw/zinc/85/68/27/590856827.db2.gz XXGXWBANWIFAQC-UHFFFAOYSA-N 1 1 226.323 3.013 20 30 BGEDMO C[N@@H+](CCCCC#N)Cc1ccc2cc[nH]c2c1 ZINC000879725997 590857059 /nfs/dbraw/zinc/85/70/59/590857059.db2.gz HXECFWZSQZFUJK-UHFFFAOYSA-N 1 1 241.338 3.294 20 30 BGEDMO C=CC[N@@H+]1CCC[C@H](c2ccccc2OC)CC1 ZINC000879727449 590857133 /nfs/dbraw/zinc/85/71/33/590857133.db2.gz GNYPXOMDJFJHIV-AWEZNQCLSA-N 1 1 245.366 3.451 20 30 BGEDMO C=CC[N@@H+]1CCC[C@@H](c2ccccc2OC)CC1 ZINC000879727450 590857026 /nfs/dbraw/zinc/85/70/26/590857026.db2.gz GNYPXOMDJFJHIV-CQSZACIVSA-N 1 1 245.366 3.451 20 30 BGEDMO Cc1cncc([C@@H]2CCC[N@H+]2CCCCC#N)c1 ZINC000879746978 590861343 /nfs/dbraw/zinc/86/13/43/590861343.db2.gz IYFZTFKWONJKQH-HNNXBMFYSA-N 1 1 243.354 3.221 20 30 BGEDMO Cc1cncc([C@H]2CCC[N@H+]2CCCCC#N)c1 ZINC000879746980 590860579 /nfs/dbraw/zinc/86/05/79/590860579.db2.gz IYFZTFKWONJKQH-OAHLLOKOSA-N 1 1 243.354 3.221 20 30 BGEDMO C=CCCC[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879748490 590860840 /nfs/dbraw/zinc/86/08/40/590860840.db2.gz DEONATRILZHVIH-HNNXBMFYSA-N 1 1 230.355 3.493 20 30 BGEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879748491 590861453 /nfs/dbraw/zinc/86/14/53/590861453.db2.gz DEONATRILZHVIH-OAHLLOKOSA-N 1 1 230.355 3.493 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749168 590860535 /nfs/dbraw/zinc/86/05/35/590860535.db2.gz FMZPTIIYQAYWHW-HNNXBMFYSA-N 1 1 230.355 3.493 20 30 BGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749169 590860770 /nfs/dbraw/zinc/86/07/70/590860770.db2.gz FMZPTIIYQAYWHW-OAHLLOKOSA-N 1 1 230.355 3.493 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749385 590862395 /nfs/dbraw/zinc/86/23/95/590862395.db2.gz WMTYSBXIUNIDKY-CYBMUJFWSA-N 1 1 236.746 3.279 20 30 BGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749385 590862392 /nfs/dbraw/zinc/86/23/92/590862392.db2.gz WMTYSBXIUNIDKY-CYBMUJFWSA-N 1 1 236.746 3.279 20 30 BGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749386 590862045 /nfs/dbraw/zinc/86/20/45/590862045.db2.gz WMTYSBXIUNIDKY-ZDUSSCGKSA-N 1 1 236.746 3.279 20 30 BGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749386 590862043 /nfs/dbraw/zinc/86/20/43/590862043.db2.gz WMTYSBXIUNIDKY-ZDUSSCGKSA-N 1 1 236.746 3.279 20 30 BGEDMO C=C(C)C[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749560 590863298 /nfs/dbraw/zinc/86/32/98/590863298.db2.gz YWUHCMZUXVRYSL-AWEZNQCLSA-N 1 1 216.328 3.103 20 30 BGEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749563 590862456 /nfs/dbraw/zinc/86/24/56/590862456.db2.gz YWUHCMZUXVRYSL-CQSZACIVSA-N 1 1 216.328 3.103 20 30 BGEDMO C=CCC[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749863 590862508 /nfs/dbraw/zinc/86/25/08/590862508.db2.gz KDDONLVMRAMRNL-AWEZNQCLSA-N 1 1 216.328 3.103 20 30 BGEDMO C=CCC[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749864 590862096 /nfs/dbraw/zinc/86/20/96/590862096.db2.gz KDDONLVMRAMRNL-CQSZACIVSA-N 1 1 216.328 3.103 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879750613 590862910 /nfs/dbraw/zinc/86/29/10/590862910.db2.gz YHVCNNNOOWNRLL-HNNXBMFYSA-N 1 1 230.355 3.493 20 30 BGEDMO C=C(CC)C[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879750615 590863387 /nfs/dbraw/zinc/86/33/87/590863387.db2.gz YHVCNNNOOWNRLL-OAHLLOKOSA-N 1 1 230.355 3.493 20 30 BGEDMO Cc1c(Cl)ccc2c1C[N@@H+](CCCC#N)CC2 ZINC000879767867 590865711 /nfs/dbraw/zinc/86/57/11/590865711.db2.gz RJQUGRRZOJCWLM-UHFFFAOYSA-N 1 1 248.757 3.310 20 30 BGEDMO Cc1c(Cl)ccc2c1C[N@H+](CCCC#N)CC2 ZINC000879767867 590865709 /nfs/dbraw/zinc/86/57/09/590865709.db2.gz RJQUGRRZOJCWLM-UHFFFAOYSA-N 1 1 248.757 3.310 20 30 BGEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001491 590905723 /nfs/dbraw/zinc/90/57/23/590905723.db2.gz VZQXCSYUYHJSKC-MRVPVSSYSA-N 1 1 227.657 3.013 20 30 BGEDMO C=C(Cl)C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001491 590905721 /nfs/dbraw/zinc/90/57/21/590905721.db2.gz VZQXCSYUYHJSKC-MRVPVSSYSA-N 1 1 227.657 3.013 20 30 BGEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001492 590904987 /nfs/dbraw/zinc/90/49/87/590904987.db2.gz VZQXCSYUYHJSKC-QMMMGPOBSA-N 1 1 227.657 3.013 20 30 BGEDMO C=C(Cl)C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001492 590904984 /nfs/dbraw/zinc/90/49/84/590904984.db2.gz VZQXCSYUYHJSKC-QMMMGPOBSA-N 1 1 227.657 3.013 20 30 BGEDMO C=CCCC[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001741 590907446 /nfs/dbraw/zinc/90/74/46/590907446.db2.gz SBMNSQZJZHTUHN-JTQLQIEISA-N 1 1 221.266 3.227 20 30 BGEDMO C=CCCC[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001742 590906255 /nfs/dbraw/zinc/90/62/55/590906255.db2.gz SBMNSQZJZHTUHN-SNVBAGLBSA-N 1 1 221.266 3.227 20 30 BGEDMO C=C(CC)C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880002983 590906633 /nfs/dbraw/zinc/90/66/33/590906633.db2.gz VTJHTNAPXSVRQP-JTQLQIEISA-N 1 1 221.266 3.227 20 30 BGEDMO C=C(CC)C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880002984 590906393 /nfs/dbraw/zinc/90/63/93/590906393.db2.gz VTJHTNAPXSVRQP-SNVBAGLBSA-N 1 1 221.266 3.227 20 30 BGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880003921 590907392 /nfs/dbraw/zinc/90/73/92/590907392.db2.gz PHUIGRAJGIBTSW-NXEZZACHSA-N 1 1 221.266 3.225 20 30 BGEDMO C=CC[C@H](C)[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880003922 590906006 /nfs/dbraw/zinc/90/60/06/590906006.db2.gz PHUIGRAJGIBTSW-UWVGGRQHSA-N 1 1 221.266 3.225 20 30 BGEDMO 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C=CC[C@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886547541 592256688 /nfs/dbraw/zinc/25/66/88/592256688.db2.gz NBIQEMQCDSJNEI-VHSXEESVSA-N 1 1 223.291 3.147 20 30 BGEDMO C=CC[C@@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886547542 592257397 /nfs/dbraw/zinc/25/73/97/592257397.db2.gz NBIQEMQCDSJNEI-ZJUUUORDSA-N 1 1 223.291 3.147 20 30 BGEDMO C=CCCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886603029 592273135 /nfs/dbraw/zinc/27/31/35/592273135.db2.gz FSVLCHWEPGFDOL-JTQLQIEISA-N 1 1 223.291 3.148 20 30 BGEDMO C=CCCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886603030 592272911 /nfs/dbraw/zinc/27/29/11/592272911.db2.gz FSVLCHWEPGFDOL-SNVBAGLBSA-N 1 1 223.291 3.148 20 30 BGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886611383 592273768 /nfs/dbraw/zinc/27/37/68/592273768.db2.gz ZXODSQGPOYKRHG-QWRGUYRKSA-N 1 1 233.277 3.227 20 30 BGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886613698 592275594 /nfs/dbraw/zinc/27/55/94/592275594.db2.gz BPAGXPCHERUYLO-QWRGUYRKSA-N 1 1 233.277 3.227 20 30 BGEDMO C#CCCC[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617240 592275470 /nfs/dbraw/zinc/27/54/70/592275470.db2.gz ICFBVBCAJIQPMH-RYUDHWBXSA-N 1 1 245.288 3.064 20 30 BGEDMO CC#CCC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617439 592278321 /nfs/dbraw/zinc/27/83/21/592278321.db2.gz OGNIATOXDJUJTF-RYUDHWBXSA-N 1 1 245.288 3.064 20 30 BGEDMO C=C(C)CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886618723 592276876 /nfs/dbraw/zinc/27/68/76/592276876.db2.gz IWMFSZAXZWAMET-JTQLQIEISA-N 1 1 223.291 3.148 20 30 BGEDMO C=C(C)CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886618724 592278328 /nfs/dbraw/zinc/27/83/28/592278328.db2.gz IWMFSZAXZWAMET-SNVBAGLBSA-N 1 1 223.291 3.148 20 30 BGEDMO C=CC(C)(C)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886619307 592277978 /nfs/dbraw/zinc/27/79/78/592277978.db2.gz YZLRRKGWAYLRDH-JTQLQIEISA-N 1 1 237.318 3.394 20 30 BGEDMO C=CC(C)(C)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886619308 592277941 /nfs/dbraw/zinc/27/79/41/592277941.db2.gz YZLRRKGWAYLRDH-SNVBAGLBSA-N 1 1 237.318 3.394 20 30 BGEDMO C=C(CC)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886622015 592279487 /nfs/dbraw/zinc/27/94/87/592279487.db2.gz IKZLLALJRZTFQQ-JTQLQIEISA-N 1 1 223.291 3.148 20 30 BGEDMO C=C(CC)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886622016 592279849 /nfs/dbraw/zinc/27/98/49/592279849.db2.gz IKZLLALJRZTFQQ-SNVBAGLBSA-N 1 1 223.291 3.148 20 30 BGEDMO C=CCCCC[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886687679 592303830 /nfs/dbraw/zinc/30/38/30/592303830.db2.gz BVORKOZPDKAOLK-AWEZNQCLSA-N 1 1 245.370 3.012 20 30 BGEDMO C=CCCCC[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886687680 592303422 /nfs/dbraw/zinc/30/34/22/592303422.db2.gz BVORKOZPDKAOLK-CQSZACIVSA-N 1 1 245.370 3.012 20 30 BGEDMO C=CCCCCC[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886819617 592341212 /nfs/dbraw/zinc/34/12/12/592341212.db2.gz UUMCVQLKZXDMQV-CABCVRRESA-N 1 1 237.387 3.234 20 30 BGEDMO C=CCCCCC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886819618 592341573 /nfs/dbraw/zinc/34/15/73/592341573.db2.gz UUMCVQLKZXDMQV-GJZGRUSLSA-N 1 1 237.387 3.234 20 30 BGEDMO C=CCCCCC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886819619 592343184 /nfs/dbraw/zinc/34/31/84/592343184.db2.gz UUMCVQLKZXDMQV-HUUCEWRRSA-N 1 1 237.387 3.234 20 30 BGEDMO C=CCCCCC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886819620 592341547 /nfs/dbraw/zinc/34/15/47/592341547.db2.gz UUMCVQLKZXDMQV-LSDHHAIUSA-N 1 1 237.387 3.234 20 30 BGEDMO N#CC1(C[NH2+][C@H]2CCc3c2cccc3F)CCC1 ZINC000886924133 592396442 /nfs/dbraw/zinc/39/64/42/592396442.db2.gz LCBREEXUOLDMGY-AWEZNQCLSA-N 1 1 244.313 3.096 20 30 BGEDMO N#CC1(C[NH2+][C@@H]2CCc3c2cccc3F)CCC1 ZINC000886928685 592397908 /nfs/dbraw/zinc/39/79/08/592397908.db2.gz LCBREEXUOLDMGY-CQSZACIVSA-N 1 1 244.313 3.096 20 30 BGEDMO C=CCCC[N@H+](CC(F)F)C1CCC1 ZINC000887098843 592441484 /nfs/dbraw/zinc/44/14/84/592441484.db2.gz DJGBABORSJLHIN-UHFFFAOYSA-N 1 1 203.276 3.072 20 30 BGEDMO C=CCCC[N@@H+](CC(F)F)C1CCC1 ZINC000887098843 592441480 /nfs/dbraw/zinc/44/14/80/592441480.db2.gz DJGBABORSJLHIN-UHFFFAOYSA-N 1 1 203.276 3.072 20 30 BGEDMO CC(C)(C#N)CCC[N@@H+](CC(F)F)C1CCC1 ZINC000887100536 592441090 /nfs/dbraw/zinc/44/10/90/592441090.db2.gz GCLUTFOFPXMNRV-UHFFFAOYSA-N 1 1 244.329 3.436 20 30 BGEDMO CC(C)(C#N)CCC[N@H+](CC(F)F)C1CCC1 ZINC000887100536 592441085 /nfs/dbraw/zinc/44/10/85/592441085.db2.gz GCLUTFOFPXMNRV-UHFFFAOYSA-N 1 1 244.329 3.436 20 30 BGEDMO C#CCCCCC[N@H+](CC(F)F)C1CCC1 ZINC000887102313 592442582 /nfs/dbraw/zinc/44/25/82/592442582.db2.gz LHELDGYSIQMJFF-UHFFFAOYSA-N 1 1 229.314 3.300 20 30 BGEDMO C#CCCCCC[N@@H+](CC(F)F)C1CCC1 ZINC000887102313 592442579 /nfs/dbraw/zinc/44/25/79/592442579.db2.gz LHELDGYSIQMJFF-UHFFFAOYSA-N 1 1 229.314 3.300 20 30 BGEDMO C=C(C)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887102642 592443430 /nfs/dbraw/zinc/44/34/30/592443430.db2.gz YXZMZDALXUMGLW-UHFFFAOYSA-N 1 1 203.276 3.072 20 30 BGEDMO C=C(C)CC[N@H+](CC(F)F)C1CCC1 ZINC000887102642 592443429 /nfs/dbraw/zinc/44/34/29/592443429.db2.gz YXZMZDALXUMGLW-UHFFFAOYSA-N 1 1 203.276 3.072 20 30 BGEDMO C[N@@H+](CCCF)Cc1ccccc1C(C)(C)C#N 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249.339 3.154 20 30 BGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccs2)no1 ZINC000899993399 584263154 /nfs/dbraw/zinc/26/31/54/584263154.db2.gz FMMHCAIIIPDHQN-VIFPVBQESA-N 1 1 249.339 3.154 20 30 BGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccccc2)no1 ZINC000899994167 637161106 /nfs/dbraw/zinc/16/11/06/637161106.db2.gz XDMVNROGRUXMPQ-GFCCVEGCSA-N 1 1 243.310 3.093 20 30 BGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccccc2)no1 ZINC000899994168 637161898 /nfs/dbraw/zinc/16/18/98/637161898.db2.gz XDMVNROGRUXMPQ-LBPRGKRZSA-N 1 1 243.310 3.093 20 30 BGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccsc2)no1 ZINC000899994459 637165142 /nfs/dbraw/zinc/16/51/42/637165142.db2.gz CLCVCESYEMRRDZ-JTQLQIEISA-N 1 1 249.339 3.154 20 30 BGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccsc2)no1 ZINC000899994460 637165541 /nfs/dbraw/zinc/16/55/41/637165541.db2.gz CLCVCESYEMRRDZ-SNVBAGLBSA-N 1 1 249.339 3.154 20 30 BGEDMO C=CCCC[C@@H]([NH3+])c1nc(C2CCCC2)no1 ZINC000899998762 637166763 /nfs/dbraw/zinc/16/67/63/637166763.db2.gz UOLJNDWYZFXZRP-LLVKDONJSA-N 1 1 235.331 3.083 20 30 BGEDMO C=CCCC[C@H]([NH3+])c1nc(C2CCCC2)no1 ZINC000899998763 637166337 /nfs/dbraw/zinc/16/63/37/637166337.db2.gz UOLJNDWYZFXZRP-NSHDSACASA-N 1 1 235.331 3.083 20 30 BGEDMO C=CCCC[C@@H]([NH3+])c1nc(C2CCCCC2)no1 ZINC000899998981 637166483 /nfs/dbraw/zinc/16/64/83/637166483.db2.gz YERQIYYPMNTSMK-GFCCVEGCSA-N 1 1 249.358 3.473 20 30 BGEDMO C=CCCC[C@H]([NH3+])c1nc(C2CCCCC2)no1 ZINC000899998982 637166038 /nfs/dbraw/zinc/16/60/38/637166038.db2.gz YERQIYYPMNTSMK-LBPRGKRZSA-N 1 1 249.358 3.473 20 30 BGEDMO CC([NH2+]Nc1ccc(F)c(F)c1)=C1CC1(F)F ZINC000901318565 584429517 /nfs/dbraw/zinc/42/95/17/584429517.db2.gz VLXRIENKYYKYEY-MRVPVSSYSA-N 1 1 246.207 3.408 20 30 BGEDMO CC([NH2+]Nc1ccc(F)c(F)c1)=C1CC1(F)F ZINC000901318566 584429312 /nfs/dbraw/zinc/42/93/12/584429312.db2.gz VLXRIENKYYKYEY-QMMMGPOBSA-N 1 1 246.207 3.408 20 30 BGEDMO CC([NH2+]Nc1cc(F)ccc1F)=C1CC1(F)F ZINC000901320372 584429789 /nfs/dbraw/zinc/42/97/89/584429789.db2.gz NSRVWSMZZDVABE-MRVPVSSYSA-N 1 1 246.207 3.408 20 30 BGEDMO CC([NH2+]Nc1cc(F)ccc1F)=C1CC1(F)F ZINC000901320374 584429681 /nfs/dbraw/zinc/42/96/81/584429681.db2.gz NSRVWSMZZDVABE-QMMMGPOBSA-N 1 1 246.207 3.408 20 30 BGEDMO Cc1cn(CCCCC2(C#N)CCC2)c(C)[nH+]1 ZINC000901526700 584458558 /nfs/dbraw/zinc/45/85/58/584458558.db2.gz CYOUHJNKKQJQJG-UHFFFAOYSA-N 1 1 231.343 3.364 20 30 BGEDMO C#CCCCCCCn1cc(C)[nH+]c1C ZINC000901529729 584459231 /nfs/dbraw/zinc/45/92/31/584459231.db2.gz PNEDOAUCPVRZRA-UHFFFAOYSA-N 1 1 204.317 3.084 20 30 BGEDMO C#CCCCCCCn1cc[nH+]c1CC ZINC000901529831 584459309 /nfs/dbraw/zinc/45/93/09/584459309.db2.gz QLQOTGNWKDAWIN-UHFFFAOYSA-N 1 1 204.317 3.029 20 30 BGEDMO CCc1[nH+]ccn1CCCCC1(C#N)CCC1 ZINC000901530459 584459084 /nfs/dbraw/zinc/45/90/84/584459084.db2.gz SJWVQWLYWDWRPX-UHFFFAOYSA-N 1 1 231.343 3.310 20 30 BGEDMO C#CCCCCCCn1cc[nH+]c1C1CC1 ZINC000901588702 637265348 /nfs/dbraw/zinc/26/53/48/637265348.db2.gz UIVPRYKFALJVRL-UHFFFAOYSA-N 1 1 216.328 3.344 20 30 BGEDMO C#CCCCCCCn1cc(C)[nH+]c1CC ZINC000901589513 637263954 /nfs/dbraw/zinc/26/39/54/637263954.db2.gz JIMWVFIVFDAMLS-UHFFFAOYSA-N 1 1 218.344 3.338 20 30 BGEDMO N#CC1(CCCCO[NH+]=C(N)CC2CC2)CCC1 ZINC000902718473 584657733 /nfs/dbraw/zinc/65/77/33/584657733.db2.gz POVINTFCIPLBOZ-UHFFFAOYSA-N 1 1 249.358 3.149 20 30 BGEDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCCCCC1(C#N)CCC1 ZINC000902762409 584663364 /nfs/dbraw/zinc/66/33/64/584663364.db2.gz AKRBMBQYJUAEND-NEPJUHHUSA-N 1 1 249.358 3.005 20 30 BGEDMO C[C@H]1C[C@H]1C(N)=[NH+]OCCCCC1(C#N)CCC1 ZINC000902762410 584662985 /nfs/dbraw/zinc/66/29/85/584662985.db2.gz AKRBMBQYJUAEND-NWDGAFQWSA-N 1 1 249.358 3.005 20 30 BGEDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCCCCC1(C#N)CCC1 ZINC000902762411 584663054 /nfs/dbraw/zinc/66/30/54/584663054.db2.gz AKRBMBQYJUAEND-RYUDHWBXSA-N 1 1 249.358 3.005 20 30 BGEDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCCCCC1(C#N)CCC1 ZINC000902762412 584663048 /nfs/dbraw/zinc/66/30/48/584663048.db2.gz AKRBMBQYJUAEND-VXGBXAGGSA-N 1 1 249.358 3.005 20 30 BGEDMO N#CC1(CCCCO[NH+]=C(N)C2CCC2)CCC1 ZINC000902774055 584668859 /nfs/dbraw/zinc/66/88/59/584668859.db2.gz SLCSSVZHWOPYSR-UHFFFAOYSA-N 1 1 249.358 3.149 20 30 BGEDMO N#CC1(CCCC[N@@H+]2CCC[C@@H](F)C2)CCC1 ZINC000902990350 584709640 /nfs/dbraw/zinc/70/96/40/584709640.db2.gz AFUODRPKMDRUSP-CYBMUJFWSA-N 1 1 238.350 3.284 20 30 BGEDMO N#CC1(CCCC[N@@H+]2CCC[C@H](F)C2)CCC1 ZINC000902990351 584709527 /nfs/dbraw/zinc/70/95/27/584709527.db2.gz AFUODRPKMDRUSP-ZDUSSCGKSA-N 1 1 238.350 3.284 20 30 BGEDMO N#CC1(CC[N@@H+]2CCC[C@@H](F)C2)CCCCC1 ZINC000902992674 584710966 /nfs/dbraw/zinc/71/09/66/584710966.db2.gz NBAWMWPFWKWVIN-CYBMUJFWSA-N 1 1 238.350 3.284 20 30 BGEDMO N#CC1(CC[N@@H+]2CCC[C@H](F)C2)CCCCC1 ZINC000902992675 584711143 /nfs/dbraw/zinc/71/11/43/584711143.db2.gz NBAWMWPFWKWVIN-ZDUSSCGKSA-N 1 1 238.350 3.284 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](F)C1 ZINC000902995080 584708411 /nfs/dbraw/zinc/70/84/11/584708411.db2.gz KRRUZJMOSDTTNO-BXUZGUMPSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](F)C1 ZINC000902995080 584708410 /nfs/dbraw/zinc/70/84/10/584708410.db2.gz KRRUZJMOSDTTNO-BXUZGUMPSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](F)C1 ZINC000902995081 584708171 /nfs/dbraw/zinc/70/81/71/584708171.db2.gz KRRUZJMOSDTTNO-FZMZJTMJSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](F)C1 ZINC000902995081 584708169 /nfs/dbraw/zinc/70/81/69/584708169.db2.gz KRRUZJMOSDTTNO-FZMZJTMJSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](F)C1 ZINC000902995082 584708505 /nfs/dbraw/zinc/70/85/05/584708505.db2.gz KRRUZJMOSDTTNO-RISCZKNCSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](F)C1 ZINC000902995082 584708503 /nfs/dbraw/zinc/70/85/03/584708503.db2.gz KRRUZJMOSDTTNO-RISCZKNCSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](F)C1 ZINC000902995083 584708571 /nfs/dbraw/zinc/70/85/71/584708571.db2.gz KRRUZJMOSDTTNO-SMDDNHRTSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](F)C1 ZINC000902995083 584708570 /nfs/dbraw/zinc/70/85/70/584708570.db2.gz KRRUZJMOSDTTNO-SMDDNHRTSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](F)C1 ZINC000902999135 584714653 /nfs/dbraw/zinc/71/46/53/584714653.db2.gz WFJVGUAIQWJATG-BXUZGUMPSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](F)C1 ZINC000902999135 584714651 /nfs/dbraw/zinc/71/46/51/584714651.db2.gz WFJVGUAIQWJATG-BXUZGUMPSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](F)C1 ZINC000902999136 584714828 /nfs/dbraw/zinc/71/48/28/584714828.db2.gz WFJVGUAIQWJATG-FZMZJTMJSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](F)C1 ZINC000902999136 584714827 /nfs/dbraw/zinc/71/48/27/584714827.db2.gz WFJVGUAIQWJATG-FZMZJTMJSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](F)C1 ZINC000902999137 584715208 /nfs/dbraw/zinc/71/52/08/584715208.db2.gz WFJVGUAIQWJATG-RISCZKNCSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](F)C1 ZINC000902999137 584715207 /nfs/dbraw/zinc/71/52/07/584715207.db2.gz WFJVGUAIQWJATG-RISCZKNCSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](F)C1 ZINC000902999138 584714794 /nfs/dbraw/zinc/71/47/94/584714794.db2.gz WFJVGUAIQWJATG-SMDDNHRTSA-N 1 1 232.302 3.053 20 30 BGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](F)C1 ZINC000902999138 584714793 /nfs/dbraw/zinc/71/47/93/584714793.db2.gz WFJVGUAIQWJATG-SMDDNHRTSA-N 1 1 232.302 3.053 20 30 BGEDMO N#CC1(C[NH2+][C@H]2CCc3ccc(F)cc32)CCC1 ZINC000903030735 584718120 /nfs/dbraw/zinc/71/81/20/584718120.db2.gz FHOSXURGMIDNLU-AWEZNQCLSA-N 1 1 244.313 3.096 20 30 BGEDMO N#CC1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CCC1 ZINC000903030736 584717791 /nfs/dbraw/zinc/71/77/91/584717791.db2.gz FHOSXURGMIDNLU-CQSZACIVSA-N 1 1 244.313 3.096 20 30 BGEDMO N#CC1(C[NH2+][C@H]2CCc3cc(F)ccc32)CCC1 ZINC000903032790 584718574 /nfs/dbraw/zinc/71/85/74/584718574.db2.gz XQMXDEJGTBXHAG-AWEZNQCLSA-N 1 1 244.313 3.096 20 30 BGEDMO N#CC1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CCC1 ZINC000903032791 584718466 /nfs/dbraw/zinc/71/84/66/584718466.db2.gz XQMXDEJGTBXHAG-CQSZACIVSA-N 1 1 244.313 3.096 20 30 BGEDMO CCC[C@H]([NH2+]CC1(C#N)CCC1)c1cccnc1 ZINC000903032977 584718379 /nfs/dbraw/zinc/71/83/79/584718379.db2.gz NVPJJXDPVHZLRN-AWEZNQCLSA-N 1 1 243.354 3.206 20 30 BGEDMO CCC[C@@H]([NH2+]CC1(C#N)CCC1)c1cccnc1 ZINC000903032978 584718652 /nfs/dbraw/zinc/71/86/52/584718652.db2.gz NVPJJXDPVHZLRN-CQSZACIVSA-N 1 1 243.354 3.206 20 30 BGEDMO Cc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)c(C)n1 ZINC000903033459 584718620 /nfs/dbraw/zinc/71/86/20/584718620.db2.gz USAJGGCQANATTD-GFCCVEGCSA-N 1 1 243.354 3.043 20 30 BGEDMO Cc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)c(C)n1 ZINC000903033460 584718441 /nfs/dbraw/zinc/71/84/41/584718441.db2.gz USAJGGCQANATTD-LBPRGKRZSA-N 1 1 243.354 3.043 20 30 BGEDMO CCC[C@@H]([NH2+]CC1(C#N)CCC1)c1ccccn1 ZINC000903033545 584718502 /nfs/dbraw/zinc/71/85/02/584718502.db2.gz WYHCNCOCKSEOQY-CYBMUJFWSA-N 1 1 243.354 3.206 20 30 BGEDMO CCC[C@H]([NH2+]CC1(C#N)CCC1)c1ccccn1 ZINC000903033646 584718329 /nfs/dbraw/zinc/71/83/29/584718329.db2.gz WYHCNCOCKSEOQY-ZDUSSCGKSA-N 1 1 243.354 3.206 20 30 BGEDMO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903035129 584719010 /nfs/dbraw/zinc/71/90/10/584719010.db2.gz IWEOPQSJWZLIKZ-GFCCVEGCSA-N 1 1 246.329 3.479 20 30 BGEDMO Cc1cc(F)ccc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903035130 584718834 /nfs/dbraw/zinc/71/88/34/584718834.db2.gz IWEOPQSJWZLIKZ-LBPRGKRZSA-N 1 1 246.329 3.479 20 30 BGEDMO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1ccsc1 ZINC000903035159 584718935 /nfs/dbraw/zinc/71/89/35/584718935.db2.gz JRTJYYVSOFHMAN-GFCCVEGCSA-N 1 1 234.368 3.483 20 30 BGEDMO CC[C@H]([NH2+]CC1(C#N)CCC1)c1ccsc1 ZINC000903035160 584718826 /nfs/dbraw/zinc/71/88/26/584718826.db2.gz JRTJYYVSOFHMAN-LBPRGKRZSA-N 1 1 234.368 3.483 20 30 BGEDMO Cc1cc([C@@H](C)[NH2+]CC2(C#N)CCC2)cs1 ZINC000903035165 584718840 /nfs/dbraw/zinc/71/88/40/584718840.db2.gz JVSBZFABIXOEQS-LLVKDONJSA-N 1 1 234.368 3.401 20 30 BGEDMO Cc1cc([C@H](C)[NH2+]CC2(C#N)CCC2)cs1 ZINC000903035166 584719181 /nfs/dbraw/zinc/71/91/81/584719181.db2.gz JVSBZFABIXOEQS-NSHDSACASA-N 1 1 234.368 3.401 20 30 BGEDMO C=CCCC(C)(C)C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000903072364 584726462 /nfs/dbraw/zinc/72/64/62/584726462.db2.gz KIGNFSQDTHTNKS-CYBMUJFWSA-N 1 1 247.386 3.369 20 30 BGEDMO C=CCCC(C)(C)C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000903072365 584726169 /nfs/dbraw/zinc/72/61/69/584726169.db2.gz KIGNFSQDTHTNKS-ZDUSSCGKSA-N 1 1 247.386 3.369 20 30 BGEDMO C=CC(C)(C)CCC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000903084549 584725011 /nfs/dbraw/zinc/72/50/11/584725011.db2.gz FISAOIGZTGPIKR-CYBMUJFWSA-N 1 1 247.386 3.369 20 30 BGEDMO C=CC(C)(C)CCC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000903084550 584725015 /nfs/dbraw/zinc/72/50/15/584725015.db2.gz FISAOIGZTGPIKR-ZDUSSCGKSA-N 1 1 247.386 3.369 20 30 BGEDMO CC(C)(C#N)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000903099862 584726950 /nfs/dbraw/zinc/72/69/50/584726950.db2.gz BKBFSIFNACLTGC-CYBMUJFWSA-N 1 1 244.338 3.040 20 30 BGEDMO CC(C)(C#N)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000903099866 584726556 /nfs/dbraw/zinc/72/65/56/584726556.db2.gz BKBFSIFNACLTGC-ZDUSSCGKSA-N 1 1 244.338 3.040 20 30 BGEDMO CC(C)C[C@H]([NH2+]CC(C)(C)C#N)c1ccccn1 ZINC000903100249 584727165 /nfs/dbraw/zinc/72/71/65/584727165.db2.gz LIXQOZDSOYVQPC-AWEZNQCLSA-N 1 1 245.370 3.308 20 30 BGEDMO CC(C)C[C@@H]([NH2+]CC(C)(C)C#N)c1ccccn1 ZINC000903100250 584727315 /nfs/dbraw/zinc/72/73/15/584727315.db2.gz LIXQOZDSOYVQPC-CQSZACIVSA-N 1 1 245.370 3.308 20 30 BGEDMO CC(C)(C#N)C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000903100314 584727222 /nfs/dbraw/zinc/72/72/22/584727222.db2.gz NLCNIVXAOKBHDY-GFCCVEGCSA-N 1 1 246.354 3.432 20 30 BGEDMO CC(C)(C#N)C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000903100315 584727233 /nfs/dbraw/zinc/72/72/33/584727233.db2.gz NLCNIVXAOKBHDY-LBPRGKRZSA-N 1 1 246.354 3.432 20 30 BGEDMO CC(C)(C#N)C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000903100514 584727529 /nfs/dbraw/zinc/72/75/29/584727529.db2.gz QWCXGWABZYHIOT-CYBMUJFWSA-N 1 1 248.757 3.467 20 30 BGEDMO CC(C)(C#N)C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000903100515 584727321 /nfs/dbraw/zinc/72/73/21/584727321.db2.gz QWCXGWABZYHIOT-ZDUSSCGKSA-N 1 1 248.757 3.467 20 30 BGEDMO CCC[C@@H]([NH2+]CC(C)(C)C#N)c1cccnc1 ZINC000903100596 584727289 /nfs/dbraw/zinc/72/72/89/584727289.db2.gz ULFSUAKNWQAOTH-CYBMUJFWSA-N 1 1 231.343 3.062 20 30 BGEDMO CCC[C@H]([NH2+]CC(C)(C)C#N)c1cccnc1 ZINC000903100598 584727433 /nfs/dbraw/zinc/72/74/33/584727433.db2.gz ULFSUAKNWQAOTH-ZDUSSCGKSA-N 1 1 231.343 3.062 20 30 BGEDMO CC(C)[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cn1 ZINC000903100739 584727508 /nfs/dbraw/zinc/72/75/08/584727508.db2.gz WTFXMHIKQOTRDB-CYBMUJFWSA-N 1 1 249.333 3.057 20 30 BGEDMO CC(C)[C@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cn1 ZINC000903100740 584727292 /nfs/dbraw/zinc/72/72/92/584727292.db2.gz WTFXMHIKQOTRDB-ZDUSSCGKSA-N 1 1 249.333 3.057 20 30 BGEDMO CCOc1cccc([C@@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000903100830 584727336 /nfs/dbraw/zinc/72/73/36/584727336.db2.gz ZYLRYKQDSOJXMM-GFCCVEGCSA-N 1 1 246.354 3.286 20 30 BGEDMO CCOc1cccc([C@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000903100831 584727436 /nfs/dbraw/zinc/72/74/36/584727436.db2.gz ZYLRYKQDSOJXMM-LBPRGKRZSA-N 1 1 246.354 3.286 20 30 BGEDMO N#CC1(C[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000903101165 584727475 /nfs/dbraw/zinc/72/74/75/584727475.db2.gz BSUHBDSKSIVFAB-GFCCVEGCSA-N 1 1 244.363 3.117 20 30 BGEDMO N#CC1(C[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000903101167 584727036 /nfs/dbraw/zinc/72/70/36/584727036.db2.gz BSUHBDSKSIVFAB-LBPRGKRZSA-N 1 1 244.363 3.117 20 30 BGEDMO C=CCC[C@@H]([NH2+]CC(C)(C)C#N)c1ccco1 ZINC000903101371 584727362 /nfs/dbraw/zinc/72/73/62/584727362.db2.gz GKFZBGLFGQZBSG-GFCCVEGCSA-N 1 1 232.327 3.426 20 30 BGEDMO C=CCC[C@H]([NH2+]CC(C)(C)C#N)c1ccco1 ZINC000903101372 584727569 /nfs/dbraw/zinc/72/75/69/584727569.db2.gz GKFZBGLFGQZBSG-LBPRGKRZSA-N 1 1 232.327 3.426 20 30 BGEDMO N#CC1(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000903101828 584727366 /nfs/dbraw/zinc/72/73/66/584727366.db2.gz NJBRVGFZLMMIJU-CYBMUJFWSA-N 1 1 246.741 3.221 20 30 BGEDMO N#CC1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000903101829 584727071 /nfs/dbraw/zinc/72/70/71/584727071.db2.gz NJBRVGFZLMMIJU-ZDUSSCGKSA-N 1 1 246.741 3.221 20 30 BGEDMO CC[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1 ZINC000903102034 584727724 /nfs/dbraw/zinc/72/77/24/584727724.db2.gz QBZFDPIRAZKQOE-CYBMUJFWSA-N 1 1 232.302 3.170 20 30 BGEDMO CC[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1 ZINC000903102035 584727586 /nfs/dbraw/zinc/72/75/86/584727586.db2.gz QBZFDPIRAZKQOE-ZDUSSCGKSA-N 1 1 232.302 3.170 20 30 BGEDMO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000903102083 584727713 /nfs/dbraw/zinc/72/77/13/584727713.db2.gz RSCPEZRMCTUUTP-LLVKDONJSA-N 1 1 234.318 3.335 20 30 BGEDMO Cc1cc(F)ccc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000903102084 584727589 /nfs/dbraw/zinc/72/75/89/584727589.db2.gz RSCPEZRMCTUUTP-NSHDSACASA-N 1 1 234.318 3.335 20 30 BGEDMO N#CC1(C[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000903102230 710891268 /nfs/dbraw/zinc/89/12/68/710891268.db2.gz VAVBAPIWKIBARE-CYBMUJFWSA-N 1 1 246.741 3.221 20 30 BGEDMO N#CC1(C[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000903102231 710890648 /nfs/dbraw/zinc/89/06/48/710890648.db2.gz VAVBAPIWKIBARE-ZDUSSCGKSA-N 1 1 246.741 3.221 20 30 BGEDMO N#CC1(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000903105190 584728230 /nfs/dbraw/zinc/72/82/30/584728230.db2.gz ABPBOKKDQUZAFF-CYBMUJFWSA-N 1 1 246.741 3.221 20 30 BGEDMO N#CC1(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000903105191 584728169 /nfs/dbraw/zinc/72/81/69/584728169.db2.gz ABPBOKKDQUZAFF-ZDUSSCGKSA-N 1 1 246.741 3.221 20 30 BGEDMO CC(C)C[C@H]([NH2+]CC1(C#N)CC1)c1ccncc1 ZINC000903105194 584728138 /nfs/dbraw/zinc/72/81/38/584728138.db2.gz ACGVXICCHWFSOD-AWEZNQCLSA-N 1 1 243.354 3.062 20 30 BGEDMO CC(C)C[C@@H]([NH2+]CC1(C#N)CC1)c1ccncc1 ZINC000903105195 584728255 /nfs/dbraw/zinc/72/82/55/584728255.db2.gz ACGVXICCHWFSOD-CQSZACIVSA-N 1 1 243.354 3.062 20 30 BGEDMO N#CC1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000903105200 584728259 /nfs/dbraw/zinc/72/82/59/584728259.db2.gz AELXWAIEIRQILD-AWEZNQCLSA-N 1 1 244.313 3.096 20 30 BGEDMO N#CC1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000903105201 584728191 /nfs/dbraw/zinc/72/81/91/584728191.db2.gz AELXWAIEIRQILD-CQSZACIVSA-N 1 1 244.313 3.096 20 30 BGEDMO CC1(C)Cc2occc2[C@H]([NH2+]CC2(C#N)CC2)C1 ZINC000903105282 584728126 /nfs/dbraw/zinc/72/81/26/584728126.db2.gz BQZUQMMLTSOICN-GFCCVEGCSA-N 1 1 244.338 3.186 20 30 BGEDMO CC1(C)Cc2occc2[C@@H]([NH2+]CC2(C#N)CC2)C1 ZINC000903105283 584727832 /nfs/dbraw/zinc/72/78/32/584727832.db2.gz BQZUQMMLTSOICN-LBPRGKRZSA-N 1 1 244.338 3.186 20 30 BGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1csc(Cl)c1 ZINC000903105646 584728107 /nfs/dbraw/zinc/72/81/07/584728107.db2.gz GQGHPLUDZLOZIP-MRVPVSSYSA-N 1 1 240.759 3.356 20 30 BGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1csc(Cl)c1 ZINC000903105647 584727967 /nfs/dbraw/zinc/72/79/67/584727967.db2.gz GQGHPLUDZLOZIP-QMMMGPOBSA-N 1 1 240.759 3.356 20 30 BGEDMO CC[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(F)c1 ZINC000903105971 584728205 /nfs/dbraw/zinc/72/82/05/584728205.db2.gz JSSHKHVSUSDPIO-CYBMUJFWSA-N 1 1 232.302 3.170 20 30 BGEDMO CC[C@H]([NH2+]CC1(C#N)CC1)c1cccc(F)c1 ZINC000903105972 584728157 /nfs/dbraw/zinc/72/81/57/584728157.db2.gz JSSHKHVSUSDPIO-ZDUSSCGKSA-N 1 1 232.302 3.170 20 30 BGEDMO Cc1ccc([C@@H]([NH2+]CC2(C#N)CC2)C2CCC2)o1 ZINC000903106044 584728237 /nfs/dbraw/zinc/72/82/37/584728237.db2.gz LOMHBTVZJGOYLW-AWEZNQCLSA-N 1 1 244.338 3.323 20 30 BGEDMO Cc1ccc([C@H]([NH2+]CC2(C#N)CC2)C2CCC2)o1 ZINC000903106045 584728198 /nfs/dbraw/zinc/72/81/98/584728198.db2.gz LOMHBTVZJGOYLW-CQSZACIVSA-N 1 1 244.338 3.323 20 30 BGEDMO CC[C@@H]([NH2+]CC1(C#N)CC1)c1ccsc1 ZINC000903106055 584727809 /nfs/dbraw/zinc/72/78/09/584727809.db2.gz LYKQCGOQFXDJSS-LLVKDONJSA-N 1 1 220.341 3.093 20 30 BGEDMO CC[C@H]([NH2+]CC1(C#N)CC1)c1ccsc1 ZINC000903106056 584727796 /nfs/dbraw/zinc/72/77/96/584727796.db2.gz LYKQCGOQFXDJSS-NSHDSACASA-N 1 1 220.341 3.093 20 30 BGEDMO CCC[C@@H]([NH2+]CC1(C#N)CC1)c1ccsc1 ZINC000903106651 584728706 /nfs/dbraw/zinc/72/87/06/584728706.db2.gz UEEJXHDNBSAWTF-GFCCVEGCSA-N 1 1 234.368 3.483 20 30 BGEDMO CCC[C@H]([NH2+]CC1(C#N)CC1)c1ccsc1 ZINC000903106653 584728385 /nfs/dbraw/zinc/72/83/85/584728385.db2.gz UEEJXHDNBSAWTF-LBPRGKRZSA-N 1 1 234.368 3.483 20 30 BGEDMO Cc1cc([C@H](C)[NH2+]CC2(C#N)CC2)cs1 ZINC000903106862 584728670 /nfs/dbraw/zinc/72/86/70/584728670.db2.gz XBPSSJKUZPHSIM-JTQLQIEISA-N 1 1 220.341 3.011 20 30 BGEDMO Cc1cc([C@@H](C)[NH2+]CC2(C#N)CC2)cs1 ZINC000903106863 584728423 /nfs/dbraw/zinc/72/84/23/584728423.db2.gz XBPSSJKUZPHSIM-SNVBAGLBSA-N 1 1 220.341 3.011 20 30 BGEDMO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106874 584728443 /nfs/dbraw/zinc/72/84/43/584728443.db2.gz XOEZDYLEGAXGHY-LLVKDONJSA-N 1 1 232.302 3.089 20 30 BGEDMO Cc1cc(F)ccc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106875 584728466 /nfs/dbraw/zinc/72/84/66/584728466.db2.gz XOEZDYLEGAXGHY-NSHDSACASA-N 1 1 232.302 3.089 20 30 BGEDMO N#CC1(C[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000903107010 710892462 /nfs/dbraw/zinc/89/24/62/710892462.db2.gz ZLGXICZGSBAMPU-AWEZNQCLSA-N 1 1 244.313 3.096 20 30 BGEDMO N#CC1(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000903107012 710892843 /nfs/dbraw/zinc/89/28/43/710892843.db2.gz ZLGXICZGSBAMPU-CQSZACIVSA-N 1 1 244.313 3.096 20 30 BGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccoc1 ZINC000903107732 710892589 /nfs/dbraw/zinc/89/25/89/710892589.db2.gz CXVIXSZHMXHOBP-LLVKDONJSA-N 1 1 218.300 3.014 20 30 BGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccoc1 ZINC000903107733 710892707 /nfs/dbraw/zinc/89/27/07/710892707.db2.gz CXVIXSZHMXHOBP-NSHDSACASA-N 1 1 218.300 3.014 20 30 BGEDMO N#CC1(C[NH2+][C@@H]2CCCc3occc32)CCCC1 ZINC000903108858 710892107 /nfs/dbraw/zinc/89/21/07/710892107.db2.gz IAOCXJNOJKPDEQ-CYBMUJFWSA-N 1 1 244.338 3.331 20 30 BGEDMO N#CC1(C[NH2+][C@H]2CCCc3occc32)CCCC1 ZINC000903108859 710893145 /nfs/dbraw/zinc/89/31/45/710893145.db2.gz IAOCXJNOJKPDEQ-ZDUSSCGKSA-N 1 1 244.338 3.331 20 30 BGEDMO Cc1ccncc1[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903108954 710892019 /nfs/dbraw/zinc/89/20/19/710892019.db2.gz JBEHLHODSZEUBN-CYBMUJFWSA-N 1 1 243.354 3.125 20 30 BGEDMO Cc1ncc([C@H](C)[NH2+]CC2(C#N)CCCC2)s1 ZINC000903109026 710891979 /nfs/dbraw/zinc/89/19/79/710891979.db2.gz KMVMLGKKCNPOHG-JTQLQIEISA-N 1 1 249.383 3.186 20 30 BGEDMO Cc1ncc([C@@H](C)[NH2+]CC2(C#N)CCCC2)s1 ZINC000903109027 710892619 /nfs/dbraw/zinc/89/26/19/710892619.db2.gz KMVMLGKKCNPOHG-SNVBAGLBSA-N 1 1 249.383 3.186 20 30 BGEDMO Cc1cncc([C@@H](C)[NH2+]CC2(C#N)CCCC2)c1 ZINC000903109580 710892036 /nfs/dbraw/zinc/89/20/36/710892036.db2.gz RWTMLGHLOWOMLT-CYBMUJFWSA-N 1 1 243.354 3.125 20 30 BGEDMO Cc1cncc([C@H](C)[NH2+]CC2(C#N)CCCC2)c1 ZINC000903109581 710893201 /nfs/dbraw/zinc/89/32/01/710893201.db2.gz RWTMLGHLOWOMLT-ZDUSSCGKSA-N 1 1 243.354 3.125 20 30 BGEDMO N#CC1(C[NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC000903109999 637342683 /nfs/dbraw/zinc/34/26/83/637342683.db2.gz YGULGLKIEUNACM-AWEZNQCLSA-N 1 1 244.313 3.096 20 30 BGEDMO N#CC1(C[NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC000903110000 637341901 /nfs/dbraw/zinc/34/19/01/637341901.db2.gz YGULGLKIEUNACM-CQSZACIVSA-N 1 1 244.313 3.096 20 30 BGEDMO N#C[C@H]1CCC[C@H](Nc2cccc(C3CC3)[nH+]2)C1 ZINC000903267545 584741293 /nfs/dbraw/zinc/74/12/93/584741293.db2.gz CURAENADTWBVGM-AAEUAGOBSA-N 1 1 241.338 3.453 20 30 BGEDMO N#C[C@@H]1CCC[C@@H](Nc2cccc(C3CC3)[nH+]2)C1 ZINC000903267546 584741556 /nfs/dbraw/zinc/74/15/56/584741556.db2.gz CURAENADTWBVGM-DGCLKSJQSA-N 1 1 241.338 3.453 20 30 BGEDMO N#C[C@H]1CCC[C@@H](Nc2cccc(C3CC3)[nH+]2)C1 ZINC000903267547 584741324 /nfs/dbraw/zinc/74/13/24/584741324.db2.gz CURAENADTWBVGM-WCQYABFASA-N 1 1 241.338 3.453 20 30 BGEDMO N#C[C@@H]1CCC[C@H](Nc2cccc(C3CC3)[nH+]2)C1 ZINC000903267548 584741328 /nfs/dbraw/zinc/74/13/28/584741328.db2.gz CURAENADTWBVGM-YPMHNXCESA-N 1 1 241.338 3.453 20 30 BGEDMO N#C[C@H]1CC[C@@H](Nc2cccc(C3CC3)[nH+]2)C1 ZINC000903268289 584741492 /nfs/dbraw/zinc/74/14/92/584741492.db2.gz JRELGEWBMOEJJN-CMPLNLGQSA-N 1 1 227.311 3.063 20 30 BGEDMO N#C[C@H]1CC[C@H](Nc2cccc(C3CC3)[nH+]2)C1 ZINC000903268290 584741915 /nfs/dbraw/zinc/74/19/15/584741915.db2.gz JRELGEWBMOEJJN-JQWIXIFHSA-N 1 1 227.311 3.063 20 30 BGEDMO N#C[C@@H]1CC[C@H](Nc2cccc(C3CC3)[nH+]2)C1 ZINC000903268291 584741922 /nfs/dbraw/zinc/74/19/22/584741922.db2.gz JRELGEWBMOEJJN-PWSUYJOCSA-N 1 1 227.311 3.063 20 30 BGEDMO N#C[C@@H]1CC[C@@H](Nc2cccc(C3CC3)[nH+]2)C1 ZINC000903268292 584741337 /nfs/dbraw/zinc/74/13/37/584741337.db2.gz JRELGEWBMOEJJN-ZYHUDNBSSA-N 1 1 227.311 3.063 20 30 BGEDMO C[N@@H+](CC1CCC(C#N)CC1)c1ccc(N)cc1 ZINC000903474953 584776978 /nfs/dbraw/zinc/77/69/78/584776978.db2.gz WFOVIXSHFLRPKB-UHFFFAOYSA-N 1 1 243.354 3.035 20 30 BGEDMO C[N@H+](CC1CCC(C#N)CC1)c1ccc(N)cc1 ZINC000903474953 584776976 /nfs/dbraw/zinc/77/69/76/584776976.db2.gz WFOVIXSHFLRPKB-UHFFFAOYSA-N 1 1 243.354 3.035 20 30 BGEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H](C)CCC)no1 ZINC000904584149 637439895 /nfs/dbraw/zinc/43/98/95/637439895.db2.gz PPSGRJNULZETJY-GHMZBOCLSA-N 1 1 237.347 3.329 20 30 BGEDMO C=CCCC[C@H]([NH3+])c1nc([C@H](C)CCC)no1 ZINC000904584150 637439939 /nfs/dbraw/zinc/43/99/39/637439939.db2.gz PPSGRJNULZETJY-MNOVXSKESA-N 1 1 237.347 3.329 20 30 BGEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H](C)CCC)no1 ZINC000904584151 637439007 /nfs/dbraw/zinc/43/90/07/637439007.db2.gz PPSGRJNULZETJY-QWRGUYRKSA-N 1 1 237.347 3.329 20 30 BGEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H](C)CCC)no1 ZINC000904584152 637438617 /nfs/dbraw/zinc/43/86/17/637438617.db2.gz PPSGRJNULZETJY-WDEREUQCSA-N 1 1 237.347 3.329 20 30 BGEDMO C=CCCC[C@@H]([NH3+])c1nc(C(CC)CC)no1 ZINC000904594842 637443376 /nfs/dbraw/zinc/44/33/76/637443376.db2.gz FTICFHHLOQSIQS-LLVKDONJSA-N 1 1 237.347 3.329 20 30 BGEDMO C=CCCC[C@H]([NH3+])c1nc(C(CC)CC)no1 ZINC000904594844 637443964 /nfs/dbraw/zinc/44/39/64/637443964.db2.gz FTICFHHLOQSIQS-NSHDSACASA-N 1 1 237.347 3.329 20 30 BGEDMO C=CCCC[C@@H]([NH3+])c1nc(CC2CCCC2)no1 ZINC000904723467 637455191 /nfs/dbraw/zinc/45/51/91/637455191.db2.gz HFGOOZNEACBMPK-GFCCVEGCSA-N 1 1 249.358 3.158 20 30 BGEDMO C=CCCC[C@H]([NH3+])c1nc(CC2CCCC2)no1 ZINC000904723468 637455451 /nfs/dbraw/zinc/45/54/51/637455451.db2.gz HFGOOZNEACBMPK-LBPRGKRZSA-N 1 1 249.358 3.158 20 30 BGEDMO C=CCCC[C@@H]([NH3+])c1nc(C(C)(C)CC=C)no1 ZINC000904725051 637455535 /nfs/dbraw/zinc/45/55/35/637455535.db2.gz VPOGOLFFUXPMHB-LLVKDONJSA-N 1 1 249.358 3.279 20 30 BGEDMO C=CCCC[C@H]([NH3+])c1nc(C(C)(C)CC=C)no1 ZINC000904725053 637455064 /nfs/dbraw/zinc/45/50/64/637455064.db2.gz VPOGOLFFUXPMHB-NSHDSACASA-N 1 1 249.358 3.279 20 30 BGEDMO C=CCCc1noc([C@H]([NH3+])C2CCCCCC2)n1 ZINC000904732792 637462858 /nfs/dbraw/zinc/46/28/58/637462858.db2.gz DPGUAYPAWRYLQT-CYBMUJFWSA-N 1 1 249.358 3.158 20 30 BGEDMO C=CCCc1noc([C@@H]([NH3+])C2CCCCCC2)n1 ZINC000904732794 637463583 /nfs/dbraw/zinc/46/35/83/637463583.db2.gz DPGUAYPAWRYLQT-ZDUSSCGKSA-N 1 1 249.358 3.158 20 30 BGEDMO Cc1[nH+]c(N)ccc1-c1cccc(C2(C#N)CC2)c1 ZINC000904766674 637475587 /nfs/dbraw/zinc/47/55/87/637475587.db2.gz LRZPPWFURJGTSZ-UHFFFAOYSA-N 1 1 249.317 3.194 20 30 BGEDMO Cc1[nH+]c(N)ccc1-c1ccc(C2(C#N)CC2)cc1 ZINC000904770174 637476678 /nfs/dbraw/zinc/47/66/78/637476678.db2.gz YGEROEYEAHXIMH-UHFFFAOYSA-N 1 1 249.317 3.194 20 30 BGEDMO Cc1[nH+]cc(-c2ccc(C3CC3)c(C#N)c2)n1C ZINC000906203046 638107254 /nfs/dbraw/zinc/10/72/54/638107254.db2.gz SSXRAFLAXIWCMA-UHFFFAOYSA-N 1 1 237.306 3.145 20 30 BGEDMO C=C(C)C[N@H+](C)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000906587386 638212204 /nfs/dbraw/zinc/21/22/04/638212204.db2.gz MXTUXCSKXYWSJY-KGLIPLIRSA-N 1 1 219.303 3.190 20 30 BGEDMO C=C(C)C[N@H+](C)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000906587387 638211484 /nfs/dbraw/zinc/21/14/84/638211484.db2.gz MXTUXCSKXYWSJY-ZIAGYGMSSA-N 1 1 219.303 3.190 20 30 BGEDMO C[N@@H+](CC(C)(C)C#N)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000906587609 638212145 /nfs/dbraw/zinc/21/21/45/638212145.db2.gz BWEREKUZWTWGST-KGLIPLIRSA-N 1 1 246.329 3.163 20 30 BGEDMO C[N@H+](CC(C)(C)C#N)[C@H]1C[C@@H]1c1cccc(F)c1 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QOMYGRGIDHIONH-UHFFFAOYSA-N 1 1 223.319 3.295 20 30 BGEDMO C#CCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000920417942 642489617 /nfs/dbraw/zinc/48/96/17/642489617.db2.gz RNAWWGADZYHIHT-UHFFFAOYSA-N 1 1 241.256 3.161 20 30 BGEDMO Cc1ccc([C@H](C)[NH2+]Cc2csc(C#N)c2)o1 ZINC000921490141 642627696 /nfs/dbraw/zinc/62/76/96/642627696.db2.gz ZQDXODLWOLTGCP-JTQLQIEISA-N 1 1 246.335 3.372 20 30 BGEDMO Cc1ccc([C@@H](C)[NH2+]Cc2csc(C#N)c2)o1 ZINC000921490142 642628269 /nfs/dbraw/zinc/62/82/69/642628269.db2.gz ZQDXODLWOLTGCP-SNVBAGLBSA-N 1 1 246.335 3.372 20 30 BGEDMO CC(C)(C)c1coc(C[NH2+]CC(C)(C)CC#N)n1 ZINC000922178371 643892423 /nfs/dbraw/zinc/89/24/23/643892423.db2.gz OURZKZUMQASPTA-UHFFFAOYSA-N 1 1 249.358 3.002 20 30 BGEDMO C#CCC1([NH2+]Cc2nc(C(C)(C)C)co2)CCC1 ZINC000922999638 644223876 /nfs/dbraw/zinc/22/38/76/644223876.db2.gz VCBOUUOMFWFVBQ-UHFFFAOYSA-N 1 1 246.354 3.008 20 30 BGEDMO C=C(C)CCc1noc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000924067988 632447252 /nfs/dbraw/zinc/44/72/52/632447252.db2.gz ZHRXSNFWDDPGER-GFCCVEGCSA-N 1 1 249.358 3.124 20 30 BGEDMO C=C(C)CCc1noc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000924067991 632447324 /nfs/dbraw/zinc/44/73/24/632447324.db2.gz ZHRXSNFWDDPGER-LBPRGKRZSA-N 1 1 249.358 3.124 20 30 BGEDMO C=C1CC(c2noc([C@H]3CCC[N@@H+]3C(C)C)n2)C1 ZINC000924122331 634080638 /nfs/dbraw/zinc/08/06/38/634080638.db2.gz DBIFNDJVUQIVFL-GFCCVEGCSA-N 1 1 247.342 3.049 20 30 BGEDMO C=C1CC(c2noc([C@H]3CCC[N@H+]3C(C)C)n2)C1 ZINC000924122331 634080634 /nfs/dbraw/zinc/08/06/34/634080634.db2.gz DBIFNDJVUQIVFL-GFCCVEGCSA-N 1 1 247.342 3.049 20 30 BGEDMO C=C1CC(c2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)C1 ZINC000924122332 634080972 /nfs/dbraw/zinc/08/09/72/634080972.db2.gz DBIFNDJVUQIVFL-LBPRGKRZSA-N 1 1 247.342 3.049 20 30 BGEDMO C=C1CC(c2noc([C@@H]3CCC[N@H+]3C(C)C)n2)C1 ZINC000924122332 634080964 /nfs/dbraw/zinc/08/09/64/634080964.db2.gz DBIFNDJVUQIVFL-LBPRGKRZSA-N 1 1 247.342 3.049 20 30 BGEDMO C#CCCC[NH2+][C@H](C)C(F)(F)c1ccccc1 ZINC000925161465 646197171 /nfs/dbraw/zinc/19/71/71/646197171.db2.gz KINSMAOAYHOIPL-GFCCVEGCSA-N 1 1 237.293 3.170 20 30 BGEDMO C#CCCC[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000925161475 646196772 /nfs/dbraw/zinc/19/67/72/646196772.db2.gz KINSMAOAYHOIPL-LBPRGKRZSA-N 1 1 237.293 3.170 20 30 BGEDMO C=C[C@@H](C)[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000925261966 636572189 /nfs/dbraw/zinc/57/21/89/636572189.db2.gz KDVPPUGCMPNJMD-BXKDBHETSA-N 1 1 237.730 3.075 20 30 BGEDMO C=C[C@H](C)[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000925261970 636571808 /nfs/dbraw/zinc/57/18/08/636571808.db2.gz KDVPPUGCMPNJMD-CABZTGNLSA-N 1 1 237.730 3.075 20 30 BGEDMO C=C[C@H](C)[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000925261975 636572145 /nfs/dbraw/zinc/57/21/45/636572145.db2.gz KDVPPUGCMPNJMD-JOYOIKCWSA-N 1 1 237.730 3.075 20 30 BGEDMO C=C[C@@H](C)[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000925261976 636571988 /nfs/dbraw/zinc/57/19/88/636571988.db2.gz KDVPPUGCMPNJMD-SKDRFNHKSA-N 1 1 237.730 3.075 20 30 BGEDMO C=C(Cl)C[NH2+][C@H]1CCc2c1nccc2Cl ZINC000925436300 642037566 /nfs/dbraw/zinc/03/75/66/642037566.db2.gz FIVDORUDXVCSOV-JTQLQIEISA-N 1 1 243.137 3.064 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000925436304 642036971 /nfs/dbraw/zinc/03/69/71/642036971.db2.gz FIVDORUDXVCSOV-SNVBAGLBSA-N 1 1 243.137 3.064 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000925436755 642038490 /nfs/dbraw/zinc/03/84/90/642038490.db2.gz GYHGAQKERJTLKV-JTQLQIEISA-N 1 1 239.750 3.011 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000925436758 642038779 /nfs/dbraw/zinc/03/87/79/642038779.db2.gz GYHGAQKERJTLKV-SNVBAGLBSA-N 1 1 239.750 3.011 20 30 BGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000925437754 646284576 /nfs/dbraw/zinc/28/45/76/646284576.db2.gz PRCCIXKHZCALQJ-JTQLQIEISA-N 1 1 239.750 3.011 20 30 BGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000925437755 646284117 /nfs/dbraw/zinc/28/41/17/646284117.db2.gz PRCCIXKHZCALQJ-SNVBAGLBSA-N 1 1 239.750 3.011 20 30 BGEDMO C=CCCCCN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925640765 646382147 /nfs/dbraw/zinc/38/21/47/646382147.db2.gz JEHJHVFOTBBHNM-DZGCQCFKSA-N 1 1 232.371 3.021 20 30 BGEDMO C=CCCCCN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925640766 646381544 /nfs/dbraw/zinc/38/15/44/646381544.db2.gz JEHJHVFOTBBHNM-HIFRSBDPSA-N 1 1 232.371 3.021 20 30 BGEDMO C=CCCCCN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925640767 646382879 /nfs/dbraw/zinc/38/28/79/646382879.db2.gz JEHJHVFOTBBHNM-UKRRQHHQSA-N 1 1 232.371 3.021 20 30 BGEDMO C=CCCCCN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925640768 646382408 /nfs/dbraw/zinc/38/24/08/646382408.db2.gz JEHJHVFOTBBHNM-ZFWWWQNUSA-N 1 1 232.371 3.021 20 30 BGEDMO Cc1cc[nH+]c(N[C@H](C)CC(C)(C)C#N)c1 ZINC000925721629 646446442 /nfs/dbraw/zinc/44/64/42/646446442.db2.gz CCPJFGRBCYUZMD-LLVKDONJSA-N 1 1 217.316 3.130 20 30 BGEDMO Cc1cc[nH+]c(N[C@@H](C)CC(C)(C)C#N)c1 ZINC000925721631 646445665 /nfs/dbraw/zinc/44/56/65/646445665.db2.gz CCPJFGRBCYUZMD-NSHDSACASA-N 1 1 217.316 3.130 20 30 BGEDMO C=CCC[C@@H](NCCC(C)(C)[NH3+])c1ccco1 ZINC000925736849 646460645 /nfs/dbraw/zinc/46/06/45/646460645.db2.gz DIHWJRDNUWKWKS-GFCCVEGCSA-N 1 1 236.359 3.004 20 30 BGEDMO C=CCC[C@H](NCCC(C)(C)[NH3+])c1ccco1 ZINC000925736850 646460766 /nfs/dbraw/zinc/46/07/66/646460766.db2.gz DIHWJRDNUWKWKS-LBPRGKRZSA-N 1 1 236.359 3.004 20 30 BGEDMO COc1ccc(C)[nH+]c1N[C@H](C)CC(C)(C)C#N ZINC000925907744 646538313 /nfs/dbraw/zinc/53/83/13/646538313.db2.gz TVXPVNFJMRGZCC-LLVKDONJSA-N 1 1 247.342 3.139 20 30 BGEDMO COc1ccc(C)[nH+]c1N[C@@H](C)CC(C)(C)C#N ZINC000925907745 646539077 /nfs/dbraw/zinc/53/90/77/646539077.db2.gz TVXPVNFJMRGZCC-NSHDSACASA-N 1 1 247.342 3.139 20 30 BGEDMO CCc1ccc[nH+]c1N[C@H](C)CC(C)(C)C#N ZINC000926100490 646574118 /nfs/dbraw/zinc/57/41/18/646574118.db2.gz DJOXNANCRACUEB-LLVKDONJSA-N 1 1 231.343 3.384 20 30 BGEDMO CCc1ccc[nH+]c1N[C@@H](C)CC(C)(C)C#N ZINC000926100720 646574719 /nfs/dbraw/zinc/57/47/19/646574719.db2.gz DJOXNANCRACUEB-NSHDSACASA-N 1 1 231.343 3.384 20 30 BGEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1cscn1 ZINC000926691783 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BGEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000932156797 640445025 /nfs/dbraw/zinc/44/50/25/640445025.db2.gz PVFRHMMLDDECNS-CZUORRHYSA-N 1 1 240.350 3.300 20 30 BGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000932156798 640444284 /nfs/dbraw/zinc/44/42/84/640444284.db2.gz PVFRHMMLDDECNS-XJKSGUPXSA-N 1 1 240.350 3.300 20 30 BGEDMO CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC000932156835 640444505 /nfs/dbraw/zinc/44/45/05/640444505.db2.gz QOCRJHOIYSXNTA-DZGCQCFKSA-N 1 1 228.339 3.373 20 30 BGEDMO CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C#N)C1 ZINC000932156836 640444182 /nfs/dbraw/zinc/44/41/82/640444182.db2.gz QOCRJHOIYSXNTA-HIFRSBDPSA-N 1 1 228.339 3.373 20 30 BGEDMO CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](C#N)C1 ZINC000932156837 640444933 /nfs/dbraw/zinc/44/49/33/640444933.db2.gz QOCRJHOIYSXNTA-UKRRQHHQSA-N 1 1 228.339 3.373 20 30 BGEDMO CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC000932156838 640444697 /nfs/dbraw/zinc/44/46/97/640444697.db2.gz QOCRJHOIYSXNTA-ZFWWWQNUSA-N 1 1 228.339 3.373 20 30 BGEDMO Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932156877 640444687 /nfs/dbraw/zinc/44/46/87/640444687.db2.gz RVAWGFCHCGHREK-KBPBESRZSA-N 1 1 228.339 3.292 20 30 BGEDMO Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932156877 640444683 /nfs/dbraw/zinc/44/46/83/640444683.db2.gz RVAWGFCHCGHREK-KBPBESRZSA-N 1 1 228.339 3.292 20 30 BGEDMO Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932156878 640444945 /nfs/dbraw/zinc/44/49/45/640444945.db2.gz RVAWGFCHCGHREK-KGLIPLIRSA-N 1 1 228.339 3.292 20 30 BGEDMO Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932156878 640444943 /nfs/dbraw/zinc/44/49/43/640444943.db2.gz RVAWGFCHCGHREK-KGLIPLIRSA-N 1 1 228.339 3.292 20 30 BGEDMO Cc1cccc([C@H](C)[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000932156879 640444266 /nfs/dbraw/zinc/44/42/66/640444266.db2.gz RVAWGFCHCGHREK-UONOGXRCSA-N 1 1 228.339 3.292 20 30 BGEDMO Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000932156879 640444261 /nfs/dbraw/zinc/44/42/61/640444261.db2.gz 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/nfs/dbraw/zinc/85/00/26/631850026.db2.gz GIKPGEKIWBXZFG-LBPRGKRZSA-N 1 1 234.368 3.171 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000934459575 631850022 /nfs/dbraw/zinc/85/00/22/631850022.db2.gz GIKPGEKIWBXZFG-LBPRGKRZSA-N 1 1 234.368 3.171 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000934459577 631850495 /nfs/dbraw/zinc/85/04/95/631850495.db2.gz KPBLITRJIPSEAU-GHMZBOCLSA-N 1 1 215.287 3.072 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000934459581 631849406 /nfs/dbraw/zinc/84/94/06/631849406.db2.gz KPBLITRJIPSEAU-MNOVXSKESA-N 1 1 215.287 3.072 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000934459584 631850596 /nfs/dbraw/zinc/85/05/96/631850596.db2.gz KPBLITRJIPSEAU-QWRGUYRKSA-N 1 1 215.287 3.072 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000934459587 631850393 /nfs/dbraw/zinc/85/03/93/631850393.db2.gz KPBLITRJIPSEAU-WDEREUQCSA-N 1 1 215.287 3.072 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000934459740 631849583 /nfs/dbraw/zinc/84/95/83/631849583.db2.gz LEEAAYYSSCAKFF-HNNXBMFYSA-N 1 1 226.323 3.017 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000934459743 631850082 /nfs/dbraw/zinc/85/00/82/631850082.db2.gz LEEAAYYSSCAKFF-OAHLLOKOSA-N 1 1 226.323 3.017 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000934459751 631851683 /nfs/dbraw/zinc/85/16/83/631851683.db2.gz CYUYQRBLEQCSLK-CYBMUJFWSA-N 1 1 246.310 3.054 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000934459754 631853001 /nfs/dbraw/zinc/85/30/01/631853001.db2.gz CYUYQRBLEQCSLK-ZDUSSCGKSA-N 1 1 246.310 3.054 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(O)ccc1Cl ZINC000934459844 631852256 /nfs/dbraw/zinc/85/22/56/631852256.db2.gz MJPBKHMRCMNWQI-LLVKDONJSA-N 1 1 237.730 3.196 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc(O)ccc1Cl ZINC000934459844 631852254 /nfs/dbraw/zinc/85/22/54/631852254.db2.gz MJPBKHMRCMNWQI-LLVKDONJSA-N 1 1 237.730 3.196 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(O)ccc1Cl ZINC000934459846 631852410 /nfs/dbraw/zinc/85/24/10/631852410.db2.gz MJPBKHMRCMNWQI-NSHDSACASA-N 1 1 237.730 3.196 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1cc(O)ccc1Cl ZINC000934459846 631852405 /nfs/dbraw/zinc/85/24/05/631852405.db2.gz MJPBKHMRCMNWQI-NSHDSACASA-N 1 1 237.730 3.196 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H](CC)CC(F)F ZINC000934459911 631851538 /nfs/dbraw/zinc/85/15/38/631851538.db2.gz NLGSQPNAOXQKRT-GHMZBOCLSA-N 1 1 217.303 3.318 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](CC)CC(F)F ZINC000934459913 631852952 /nfs/dbraw/zinc/85/29/52/631852952.db2.gz NLGSQPNAOXQKRT-MNOVXSKESA-N 1 1 217.303 3.318 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H](CC)CC(F)F ZINC000934459914 631852715 /nfs/dbraw/zinc/85/27/15/631852715.db2.gz NLGSQPNAOXQKRT-QWRGUYRKSA-N 1 1 217.303 3.318 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](CC)CC(F)F ZINC000934459916 631851599 /nfs/dbraw/zinc/85/15/99/631851599.db2.gz NLGSQPNAOXQKRT-WDEREUQCSA-N 1 1 217.303 3.318 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1CCC(=O)c1ccc(F)cc1 ZINC000934459952 631852492 /nfs/dbraw/zinc/85/24/92/631852492.db2.gz IQBCZKFVKJARGD-AWEZNQCLSA-N 1 1 247.313 3.049 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)c1ccc(F)cc1 ZINC000934459953 631851629 /nfs/dbraw/zinc/85/16/29/631851629.db2.gz IQBCZKFVKJARGD-CQSZACIVSA-N 1 1 247.313 3.049 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccc2ncccc2c1 ZINC000934459998 631851979 /nfs/dbraw/zinc/85/19/79/631851979.db2.gz GPAHDHRMOBJRHL-HNNXBMFYSA-N 1 1 238.334 3.385 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc2ncccc2c1 ZINC000934460005 631852243 /nfs/dbraw/zinc/85/22/43/631852243.db2.gz GPAHDHRMOBJRHL-OAHLLOKOSA-N 1 1 238.334 3.385 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1CCCCC(C)(C)C#N ZINC000934460058 631852773 /nfs/dbraw/zinc/85/27/73/631852773.db2.gz HIJAAEMIYXGSAX-CYBMUJFWSA-N 1 1 220.360 3.357 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1CCCCC(C)(C)C#N ZINC000934460059 631852165 /nfs/dbraw/zinc/85/21/65/631852165.db2.gz HIJAAEMIYXGSAX-ZDUSSCGKSA-N 1 1 220.360 3.357 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1c(F)cccc1F ZINC000934460084 631852726 /nfs/dbraw/zinc/85/27/26/631852726.db2.gz HTWJZKPYFVIAPJ-JTQLQIEISA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1c(F)cccc1F ZINC000934460084 631852722 /nfs/dbraw/zinc/85/27/22/631852722.db2.gz HTWJZKPYFVIAPJ-JTQLQIEISA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1cccc2ncccc12 ZINC000934460123 631852186 /nfs/dbraw/zinc/85/21/86/631852186.db2.gz FXROPXBLPHYCJC-AWEZNQCLSA-N 1 1 238.334 3.385 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cccc2ncccc12 ZINC000934460125 631852852 /nfs/dbraw/zinc/85/28/52/631852852.db2.gz FXROPXBLPHYCJC-CQSZACIVSA-N 1 1 238.334 3.385 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1c(C)cc(C)nc1C ZINC000934460132 631852369 /nfs/dbraw/zinc/85/23/69/631852369.db2.gz OBDKVYMCSFVTDI-AWEZNQCLSA-N 1 1 230.355 3.157 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1c(C)cc(C)nc1C ZINC000934460134 631851388 /nfs/dbraw/zinc/85/13/88/631851388.db2.gz OBDKVYMCSFVTDI-CQSZACIVSA-N 1 1 230.355 3.157 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000934460206 631851971 /nfs/dbraw/zinc/85/19/71/631851971.db2.gz OOMCFDKUJRDYJU-NXEZZACHSA-N 1 1 234.170 3.221 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1CC[C@H]1CC1(Cl)Cl ZINC000934460207 631853056 /nfs/dbraw/zinc/85/30/56/631853056.db2.gz OOMCFDKUJRDYJU-UWVGGRQHSA-N 1 1 234.170 3.221 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1CC[C@H]1CC1(Cl)Cl ZINC000934460209 631852325 /nfs/dbraw/zinc/85/23/25/631852325.db2.gz OOMCFDKUJRDYJU-VHSXEESVSA-N 1 1 234.170 3.221 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000934460210 631855089 /nfs/dbraw/zinc/85/50/89/631855089.db2.gz OOMCFDKUJRDYJU-ZJUUUORDSA-N 1 1 234.170 3.221 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1c(F)cccc1F ZINC000934460385 631851590 /nfs/dbraw/zinc/85/15/90/631851590.db2.gz HTWJZKPYFVIAPJ-SNVBAGLBSA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1c(F)cccc1F ZINC000934460385 631851589 /nfs/dbraw/zinc/85/15/89/631851589.db2.gz HTWJZKPYFVIAPJ-SNVBAGLBSA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(C)nc(Cl)c1 ZINC000934460541 631847529 /nfs/dbraw/zinc/84/75/29/631847529.db2.gz QFIZPVMZYVENIF-GFCCVEGCSA-N 1 1 236.746 3.194 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc(C)nc(Cl)c1 ZINC000934460541 631847524 /nfs/dbraw/zinc/84/75/24/631847524.db2.gz QFIZPVMZYVENIF-GFCCVEGCSA-N 1 1 236.746 3.194 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(C)nc(Cl)c1 ZINC000934460542 631847882 /nfs/dbraw/zinc/84/78/82/631847882.db2.gz QFIZPVMZYVENIF-LBPRGKRZSA-N 1 1 236.746 3.194 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1cc(C)nc(Cl)c1 ZINC000934460542 631847879 /nfs/dbraw/zinc/84/78/79/631847879.db2.gz QFIZPVMZYVENIF-LBPRGKRZSA-N 1 1 236.746 3.194 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC000934460693 641154950 /nfs/dbraw/zinc/15/49/50/641154950.db2.gz IZKNONLAYFLKIT-CHWSQXEVSA-N 1 1 237.387 3.231 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC000934460695 641153541 /nfs/dbraw/zinc/15/35/41/641153541.db2.gz IZKNONLAYFLKIT-OLZOCXBDSA-N 1 1 237.387 3.231 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC000934460696 641152512 /nfs/dbraw/zinc/15/25/12/641152512.db2.gz IZKNONLAYFLKIT-QWHCGFSZSA-N 1 1 237.387 3.231 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC000934460698 641153559 /nfs/dbraw/zinc/15/35/59/641153559.db2.gz IZKNONLAYFLKIT-STQMWFEESA-N 1 1 237.387 3.231 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nsc2ccccc21 ZINC000934460830 631850743 /nfs/dbraw/zinc/85/07/43/631850743.db2.gz RZPWNTDUZKEBMB-LLVKDONJSA-N 1 1 244.363 3.447 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1nsc2ccccc21 ZINC000934460832 631849507 /nfs/dbraw/zinc/84/95/07/631849507.db2.gz RZPWNTDUZKEBMB-NSHDSACASA-N 1 1 244.363 3.447 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1CCSC(C)(C)C ZINC000934460866 641155112 /nfs/dbraw/zinc/15/51/12/641155112.db2.gz SGAPCAHTLAEEIS-LLVKDONJSA-N 1 1 213.390 3.169 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1CCSC(C)(C)C ZINC000934460868 641154450 /nfs/dbraw/zinc/15/44/50/641154450.db2.gz SGAPCAHTLAEEIS-NSHDSACASA-N 1 1 213.390 3.169 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1CCCC(C)(F)F ZINC000934461248 641152254 /nfs/dbraw/zinc/15/22/54/641152254.db2.gz LKHKZBSSLIAPBZ-JTQLQIEISA-N 1 1 203.276 3.072 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1CCCC(C)(F)F ZINC000934461250 641154495 /nfs/dbraw/zinc/15/44/95/641154495.db2.gz LKHKZBSSLIAPBZ-SNVBAGLBSA-N 1 1 203.276 3.072 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000934461253 631855933 /nfs/dbraw/zinc/85/59/33/631855933.db2.gz WVDFVSYLSZESHK-NXEZZACHSA-N 1 1 234.170 3.221 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000934461255 631857009 /nfs/dbraw/zinc/85/70/09/631857009.db2.gz WVDFVSYLSZESHK-UWVGGRQHSA-N 1 1 234.170 3.221 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000934461256 631857458 /nfs/dbraw/zinc/85/74/58/631857458.db2.gz WVDFVSYLSZESHK-VHSXEESVSA-N 1 1 234.170 3.221 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000934461258 631857299 /nfs/dbraw/zinc/85/72/99/631857299.db2.gz WVDFVSYLSZESHK-ZJUUUORDSA-N 1 1 234.170 3.221 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1cccc(C#N)c1 ZINC000934461301 631856606 /nfs/dbraw/zinc/85/66/06/631856606.db2.gz MDWARSINEBBKPI-DOMZBBRYSA-N 1 1 226.323 3.270 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1cccc(C#N)c1 ZINC000934461302 631856125 /nfs/dbraw/zinc/85/61/25/631856125.db2.gz MDWARSINEBBKPI-IUODEOHRSA-N 1 1 226.323 3.270 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1cccc(C#N)c1 ZINC000934461303 631857274 /nfs/dbraw/zinc/85/72/74/631857274.db2.gz MDWARSINEBBKPI-SWLSCSKDSA-N 1 1 226.323 3.270 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1cccc(C#N)c1 ZINC000934461304 631857070 /nfs/dbraw/zinc/85/70/70/631857070.db2.gz MDWARSINEBBKPI-WFASDCNBSA-N 1 1 226.323 3.270 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(OC(C)C)ccn1 ZINC000934461308 631856131 /nfs/dbraw/zinc/85/61/31/631856131.db2.gz XFYREBAVCCVUCR-AWEZNQCLSA-N 1 1 246.354 3.019 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(OC(C)C)ccn1 ZINC000934461310 631857347 /nfs/dbraw/zinc/85/73/47/631857347.db2.gz XFYREBAVCCVUCR-CQSZACIVSA-N 1 1 246.354 3.019 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000934461581 631857438 /nfs/dbraw/zinc/85/74/38/631857438.db2.gz NHBNDRKHZPCNMJ-HNNXBMFYSA-N 1 1 243.350 3.218 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000934461585 631857283 /nfs/dbraw/zinc/85/72/83/631857283.db2.gz NHBNDRKHZPCNMJ-OAHLLOKOSA-N 1 1 243.350 3.218 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C)nc1Cl ZINC000934461622 631856932 /nfs/dbraw/zinc/85/69/32/631856932.db2.gz ZAJHWIDPVNUGGC-GFCCVEGCSA-N 1 1 236.746 3.194 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc(C)nc1Cl ZINC000934461622 631856930 /nfs/dbraw/zinc/85/69/30/631856930.db2.gz ZAJHWIDPVNUGGC-GFCCVEGCSA-N 1 1 236.746 3.194 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(C)nc1Cl ZINC000934461625 631856483 /nfs/dbraw/zinc/85/64/83/631856483.db2.gz ZAJHWIDPVNUGGC-LBPRGKRZSA-N 1 1 236.746 3.194 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccc(C)nc1Cl ZINC000934461625 631856479 /nfs/dbraw/zinc/85/64/79/631856479.db2.gz ZAJHWIDPVNUGGC-LBPRGKRZSA-N 1 1 236.746 3.194 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000934461635 631856145 /nfs/dbraw/zinc/85/61/45/631856145.db2.gz NZWKRKROEKVWBM-KBPBESRZSA-N 1 1 235.371 3.129 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000934461639 631857073 /nfs/dbraw/zinc/85/70/73/631857073.db2.gz NZWKRKROEKVWBM-KGLIPLIRSA-N 1 1 235.371 3.129 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000934461642 631856156 /nfs/dbraw/zinc/85/61/56/631856156.db2.gz NZWKRKROEKVWBM-UONOGXRCSA-N 1 1 235.371 3.129 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000934461645 631856184 /nfs/dbraw/zinc/85/61/84/631856184.db2.gz NZWKRKROEKVWBM-ZIAGYGMSSA-N 1 1 235.371 3.129 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C)c(Cl)n1 ZINC000934461765 631859561 /nfs/dbraw/zinc/85/95/61/631859561.db2.gz ZPJADGVEZIMSHI-GFCCVEGCSA-N 1 1 236.746 3.194 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc(C)c(Cl)n1 ZINC000934461765 631859558 /nfs/dbraw/zinc/85/95/58/631859558.db2.gz ZPJADGVEZIMSHI-GFCCVEGCSA-N 1 1 236.746 3.194 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(C)c(Cl)n1 ZINC000934461766 631859076 /nfs/dbraw/zinc/85/90/76/631859076.db2.gz ZPJADGVEZIMSHI-LBPRGKRZSA-N 1 1 236.746 3.194 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccc(C)c(Cl)n1 ZINC000934461766 631859071 /nfs/dbraw/zinc/85/90/71/631859071.db2.gz ZPJADGVEZIMSHI-LBPRGKRZSA-N 1 1 236.746 3.194 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1CCCC(=O)c1ccccc1 ZINC000934461783 631858298 /nfs/dbraw/zinc/85/82/98/631858298.db2.gz ZXMIRERHRYBHDU-HNNXBMFYSA-N 1 1 243.350 3.300 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1CCCC(=O)c1ccccc1 ZINC000934461784 631858320 /nfs/dbraw/zinc/85/83/20/631858320.db2.gz ZXMIRERHRYBHDU-OAHLLOKOSA-N 1 1 243.350 3.300 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1CC[C@H]1CCCC1(F)F ZINC000934461836 631859618 /nfs/dbraw/zinc/85/96/18/631859618.db2.gz NXYDIFFOFDMDBA-NEPJUHHUSA-N 1 1 229.314 3.462 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000934461837 631858698 /nfs/dbraw/zinc/85/86/98/631858698.db2.gz NXYDIFFOFDMDBA-NWDGAFQWSA-N 1 1 229.314 3.462 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000934461839 631858360 /nfs/dbraw/zinc/85/83/60/631858360.db2.gz NXYDIFFOFDMDBA-RYUDHWBXSA-N 1 1 229.314 3.462 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1CC[C@H]1CCCC1(F)F ZINC000934461840 631858705 /nfs/dbraw/zinc/85/87/05/631858705.db2.gz NXYDIFFOFDMDBA-VXGBXAGGSA-N 1 1 229.314 3.462 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1CCCOCc1ccccc1 ZINC000934461924 631858784 /nfs/dbraw/zinc/85/87/84/631858784.db2.gz PEYLYMHZLBKQQC-INIZCTEOSA-N 1 1 245.366 3.244 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1CCCOCc1ccccc1 ZINC000934461926 631858867 /nfs/dbraw/zinc/85/88/67/631858867.db2.gz PEYLYMHZLBKQQC-MRXNPFEDSA-N 1 1 245.366 3.244 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1CCCCOC(C)(C)C ZINC000934461956 631859116 /nfs/dbraw/zinc/85/91/16/631859116.db2.gz PNMBLNJGMSRSPX-CYBMUJFWSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1CCCCOC(C)(C)C ZINC000934461958 631859174 /nfs/dbraw/zinc/85/91/74/631859174.db2.gz PNMBLNJGMSRSPX-ZDUSSCGKSA-N 1 1 225.376 3.232 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1C[C@@H]1CCCC2(CCC2)O1 ZINC000934462012 631858797 /nfs/dbraw/zinc/85/87/97/631858797.db2.gz PQSJNRVVYKJJKW-KBPBESRZSA-N 1 1 235.371 3.129 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1C[C@@H]1CCCC2(CCC2)O1 ZINC000934462015 631858645 /nfs/dbraw/zinc/85/86/45/631858645.db2.gz PQSJNRVVYKJJKW-KGLIPLIRSA-N 1 1 235.371 3.129 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1C[C@H]1CCCC2(CCC2)O1 ZINC000934462017 631859137 /nfs/dbraw/zinc/85/91/37/631859137.db2.gz PQSJNRVVYKJJKW-UONOGXRCSA-N 1 1 235.371 3.129 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1C[C@H]1CCCC2(CCC2)O1 ZINC000934462021 631859248 /nfs/dbraw/zinc/85/92/48/631859248.db2.gz PQSJNRVVYKJJKW-ZIAGYGMSSA-N 1 1 235.371 3.129 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1CCCCC(F)(F)F ZINC000934462151 631859270 /nfs/dbraw/zinc/85/92/70/631859270.db2.gz WAIOEBOZQMEWLP-JTQLQIEISA-N 1 1 221.266 3.369 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1CCCCC(F)(F)F ZINC000934462152 631858909 /nfs/dbraw/zinc/85/89/09/631858909.db2.gz WAIOEBOZQMEWLP-SNVBAGLBSA-N 1 1 221.266 3.369 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(CF)cc1 ZINC000934462160 631854604 /nfs/dbraw/zinc/85/46/04/631854604.db2.gz WHPRVVREEFLCTQ-AWEZNQCLSA-N 1 1 219.303 3.307 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(CF)cc1 ZINC000934462161 631853665 /nfs/dbraw/zinc/85/36/65/631853665.db2.gz WHPRVVREEFLCTQ-CQSZACIVSA-N 1 1 219.303 3.307 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000934462257 631853510 /nfs/dbraw/zinc/85/35/10/631853510.db2.gz QWKUPDMYSWBVPX-CYBMUJFWSA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000934462258 631855124 /nfs/dbraw/zinc/85/51/24/631855124.db2.gz QWKUPDMYSWBVPX-ZDUSSCGKSA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1CCCc1ccsc1 ZINC000934462279 631854998 /nfs/dbraw/zinc/85/49/98/631854998.db2.gz RKYLTQQVNPLWFN-CYBMUJFWSA-N 1 1 221.369 3.331 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1CCCc1ccsc1 ZINC000934462280 631854811 /nfs/dbraw/zinc/85/48/11/631854811.db2.gz RKYLTQQVNPLWFN-ZDUSSCGKSA-N 1 1 221.369 3.331 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000934462293 631854949 /nfs/dbraw/zinc/85/49/49/631854949.db2.gz QEWVDWADWUJTMO-AWEZNQCLSA-N 1 1 246.741 3.362 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000934462293 631854947 /nfs/dbraw/zinc/85/49/47/631854947.db2.gz QEWVDWADWUJTMO-AWEZNQCLSA-N 1 1 246.741 3.362 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000934462296 631854367 /nfs/dbraw/zinc/85/43/67/631854367.db2.gz QEWVDWADWUJTMO-CQSZACIVSA-N 1 1 246.741 3.362 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000934462296 631854364 /nfs/dbraw/zinc/85/43/64/631854364.db2.gz QEWVDWADWUJTMO-CQSZACIVSA-N 1 1 246.741 3.362 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1CCCCC1CCOCC1 ZINC000934462418 631854686 /nfs/dbraw/zinc/85/46/86/631854686.db2.gz DBBIQKDVXDBQGP-HNNXBMFYSA-N 1 1 237.387 3.234 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1CCCCC1CCOCC1 ZINC000934462419 631853724 /nfs/dbraw/zinc/85/37/24/631853724.db2.gz DBBIQKDVXDBQGP-OAHLLOKOSA-N 1 1 237.387 3.234 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1cccc2cccnc21 ZINC000934462603 631853407 /nfs/dbraw/zinc/85/34/07/631853407.db2.gz YTZJNYKHDIYFRH-HNNXBMFYSA-N 1 1 238.334 3.385 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cccc2cccnc21 ZINC000934462604 631853830 /nfs/dbraw/zinc/85/38/30/631853830.db2.gz YTZJNYKHDIYFRH-OAHLLOKOSA-N 1 1 238.334 3.385 20 30 BGEDMO C=CC[C@@H]1CCN1[C@@H](C)CC[N@H+]1CC[C@H]1CC=C ZINC000934462640 631854540 /nfs/dbraw/zinc/85/45/40/631854540.db2.gz ZGXKEXCKUHOLSC-ARFHVFGLSA-N 1 1 248.414 3.066 20 30 BGEDMO C=CC[C@@H]1CCN1[C@@H](C)CC[N@@H+]1CC[C@H]1CC=C ZINC000934462640 631854536 /nfs/dbraw/zinc/85/45/36/631854536.db2.gz ZGXKEXCKUHOLSC-ARFHVFGLSA-N 1 1 248.414 3.066 20 30 BGEDMO C=CC[C@@H]1CCN1CC[C@H](C)[N@H+]1CC[C@H]1CC=C ZINC000934462640 631854533 /nfs/dbraw/zinc/85/45/33/631854533.db2.gz ZGXKEXCKUHOLSC-ARFHVFGLSA-N 1 1 248.414 3.066 20 30 BGEDMO C=CC[C@@H]1CCN1CC[C@H](C)[N@@H+]1CC[C@H]1CC=C ZINC000934462640 631854530 /nfs/dbraw/zinc/85/45/30/631854530.db2.gz ZGXKEXCKUHOLSC-ARFHVFGLSA-N 1 1 248.414 3.066 20 30 BGEDMO C=CC[C@@H]1CCN1[C@H](C)CC[N@H+]1CC[C@H]1CC=C ZINC000934462641 631853789 /nfs/dbraw/zinc/85/37/89/631853789.db2.gz ZGXKEXCKUHOLSC-BZUAXINKSA-N 1 1 248.414 3.066 20 30 BGEDMO C=CC[C@@H]1CCN1[C@H](C)CC[N@@H+]1CC[C@H]1CC=C ZINC000934462641 631853787 /nfs/dbraw/zinc/85/37/87/631853787.db2.gz ZGXKEXCKUHOLSC-BZUAXINKSA-N 1 1 248.414 3.066 20 30 BGEDMO C=CC[C@@H]1CCN1CC[C@@H](C)[N@H+]1CC[C@H]1CC=C ZINC000934462641 631853785 /nfs/dbraw/zinc/85/37/85/631853785.db2.gz ZGXKEXCKUHOLSC-BZUAXINKSA-N 1 1 248.414 3.066 20 30 BGEDMO C=CC[C@@H]1CCN1CC[C@@H](C)[N@@H+]1CC[C@H]1CC=C ZINC000934462641 631853783 /nfs/dbraw/zinc/85/37/83/631853783.db2.gz ZGXKEXCKUHOLSC-BZUAXINKSA-N 1 1 248.414 3.066 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1CC[C@@H](C)N1CC[C@@H]1CC=C ZINC000934462642 631854410 /nfs/dbraw/zinc/85/44/10/631854410.db2.gz ZGXKEXCKUHOLSC-OAGGEKHMSA-N 1 1 248.414 3.066 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1CC[C@@H](C)N1CC[C@@H]1CC=C ZINC000934462642 631854405 /nfs/dbraw/zinc/85/44/05/631854405.db2.gz ZGXKEXCKUHOLSC-OAGGEKHMSA-N 1 1 248.414 3.066 20 30 BGEDMO C=CC[C@@H]1CCN1CC[C@@H](C)[N@H+]1CC[C@@H]1CC=C ZINC000934462642 631854400 /nfs/dbraw/zinc/85/44/00/631854400.db2.gz ZGXKEXCKUHOLSC-OAGGEKHMSA-N 1 1 248.414 3.066 20 30 BGEDMO C=CC[C@@H]1CCN1CC[C@@H](C)[N@@H+]1CC[C@@H]1CC=C ZINC000934462642 631854395 /nfs/dbraw/zinc/85/43/95/631854395.db2.gz ZGXKEXCKUHOLSC-OAGGEKHMSA-N 1 1 248.414 3.066 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1CC[C@H](C)N1CC[C@@H]1CC=C ZINC000934462643 631854984 /nfs/dbraw/zinc/85/49/84/631854984.db2.gz ZGXKEXCKUHOLSC-XHSDSOJGSA-N 1 1 248.414 3.066 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1CC[C@H](C)N1CC[C@@H]1CC=C ZINC000934462643 631854983 /nfs/dbraw/zinc/85/49/83/631854983.db2.gz ZGXKEXCKUHOLSC-XHSDSOJGSA-N 1 1 248.414 3.066 20 30 BGEDMO C=CC[C@@H]1CCN1CC[C@H](C)[N@H+]1CC[C@@H]1CC=C ZINC000934462643 631854980 /nfs/dbraw/zinc/85/49/80/631854980.db2.gz ZGXKEXCKUHOLSC-XHSDSOJGSA-N 1 1 248.414 3.066 20 30 BGEDMO C=CC[C@@H]1CCN1CC[C@H](C)[N@@H+]1CC[C@@H]1CC=C ZINC000934462643 631854978 /nfs/dbraw/zinc/85/49/78/631854978.db2.gz ZGXKEXCKUHOLSC-XHSDSOJGSA-N 1 1 248.414 3.066 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000934462803 631855294 /nfs/dbraw/zinc/85/52/94/631855294.db2.gz UHTAQOGQVJKSCW-HNNXBMFYSA-N 1 1 226.323 3.017 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000934462806 631853643 /nfs/dbraw/zinc/85/36/43/631853643.db2.gz UHTAQOGQVJKSCW-OAHLLOKOSA-N 1 1 226.323 3.017 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccccc1CF ZINC000934462944 631856702 /nfs/dbraw/zinc/85/67/02/631856702.db2.gz SCKIHAJXGOPNET-AWEZNQCLSA-N 1 1 219.303 3.307 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccccc1CF ZINC000934462946 631857094 /nfs/dbraw/zinc/85/70/94/631857094.db2.gz SCKIHAJXGOPNET-CQSZACIVSA-N 1 1 219.303 3.307 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(F)cc1F ZINC000934463325 631857295 /nfs/dbraw/zinc/85/72/95/631857295.db2.gz YKFNYKBSPAFQSN-GFCCVEGCSA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc(F)cc1F ZINC000934463325 631857293 /nfs/dbraw/zinc/85/72/93/631857293.db2.gz YKFNYKBSPAFQSN-GFCCVEGCSA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(F)cc1F ZINC000934463326 631857756 /nfs/dbraw/zinc/85/77/56/631857756.db2.gz YKFNYKBSPAFQSN-LBPRGKRZSA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccc(F)cc1F ZINC000934463326 631857755 /nfs/dbraw/zinc/85/77/55/631857755.db2.gz YKFNYKBSPAFQSN-LBPRGKRZSA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(C(F)(F)F)co1 ZINC000934463771 631859722 /nfs/dbraw/zinc/85/97/22/631859722.db2.gz ZFDNMPGPZIFOLX-JTQLQIEISA-N 1 1 245.244 3.449 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1cc(C(F)(F)F)co1 ZINC000934463771 631859716 /nfs/dbraw/zinc/85/97/16/631859716.db2.gz ZFDNMPGPZIFOLX-JTQLQIEISA-N 1 1 245.244 3.449 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(C(F)(F)F)co1 ZINC000934463772 631859131 /nfs/dbraw/zinc/85/91/31/631859131.db2.gz ZFDNMPGPZIFOLX-SNVBAGLBSA-N 1 1 245.244 3.449 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc(C(F)(F)F)co1 ZINC000934463772 631859128 /nfs/dbraw/zinc/85/91/28/631859128.db2.gz ZFDNMPGPZIFOLX-SNVBAGLBSA-N 1 1 245.244 3.449 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1c(C)cc(C#N)cc1C ZINC000934463777 641158012 /nfs/dbraw/zinc/15/80/12/641158012.db2.gz ZMVMSKBNIMGPDH-HNNXBMFYSA-N 1 1 240.350 3.326 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1c(C)cc(C#N)cc1C ZINC000934463778 641157272 /nfs/dbraw/zinc/15/72/72/641157272.db2.gz ZMVMSKBNIMGPDH-OAHLLOKOSA-N 1 1 240.350 3.326 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000934463896 631858758 /nfs/dbraw/zinc/85/87/58/631858758.db2.gz KVNQHBFIQXJFBS-HNNXBMFYSA-N 1 1 226.323 3.017 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000934463898 631858233 /nfs/dbraw/zinc/85/82/33/631858233.db2.gz KVNQHBFIQXJFBS-OAHLLOKOSA-N 1 1 226.323 3.017 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H](OC)c1ccccc1 ZINC000934464186 631858527 /nfs/dbraw/zinc/85/85/27/631858527.db2.gz NAWKHQWZEOLFEY-CABCVRRESA-N 1 1 231.339 3.025 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](OC)c1ccccc1 ZINC000934464188 631858623 /nfs/dbraw/zinc/85/86/23/631858623.db2.gz NAWKHQWZEOLFEY-GJZGRUSLSA-N 1 1 231.339 3.025 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](OC)c1ccccc1 ZINC000934464190 631859488 /nfs/dbraw/zinc/85/94/88/631859488.db2.gz NAWKHQWZEOLFEY-HUUCEWRRSA-N 1 1 231.339 3.025 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H](OC)c1ccccc1 ZINC000934464386 631858541 /nfs/dbraw/zinc/85/85/41/631858541.db2.gz NAWKHQWZEOLFEY-LSDHHAIUSA-N 1 1 231.339 3.025 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1F ZINC000934465524 641162179 /nfs/dbraw/zinc/16/21/79/641162179.db2.gz MKUBQPVKQYVRID-GFCCVEGCSA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc(F)ccc1F ZINC000934465524 641162175 /nfs/dbraw/zinc/16/21/75/641162175.db2.gz MKUBQPVKQYVRID-GFCCVEGCSA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(F)ccc1F ZINC000934465527 641161420 /nfs/dbraw/zinc/16/14/20/641161420.db2.gz MKUBQPVKQYVRID-LBPRGKRZSA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1cc(F)ccc1F ZINC000934465527 641161416 /nfs/dbraw/zinc/16/14/16/641161416.db2.gz MKUBQPVKQYVRID-LBPRGKRZSA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccn(C2CCCC2)n1 ZINC000934465774 641160270 /nfs/dbraw/zinc/16/02/70/641160270.db2.gz NWPGKCCULSZDRE-AWEZNQCLSA-N 1 1 245.370 3.149 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccn(C2CCCC2)n1 ZINC000934465774 641160264 /nfs/dbraw/zinc/16/02/64/641160264.db2.gz NWPGKCCULSZDRE-AWEZNQCLSA-N 1 1 245.370 3.149 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccn(C2CCCC2)n1 ZINC000934465775 631861619 /nfs/dbraw/zinc/86/16/19/631861619.db2.gz NWPGKCCULSZDRE-CQSZACIVSA-N 1 1 245.370 3.149 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccn(C2CCCC2)n1 ZINC000934465775 631861615 /nfs/dbraw/zinc/86/16/15/631861615.db2.gz NWPGKCCULSZDRE-CQSZACIVSA-N 1 1 245.370 3.149 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1[C@@H]1CCc2ccccc21 ZINC000934466245 631861423 /nfs/dbraw/zinc/86/14/23/631861423.db2.gz ZBVQEHOJLJWUBA-DZGCQCFKSA-N 1 1 213.324 3.324 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1[C@H]1CCc2ccccc21 ZINC000934466250 631860430 /nfs/dbraw/zinc/86/04/30/631860430.db2.gz ZBVQEHOJLJWUBA-HIFRSBDPSA-N 1 1 213.324 3.324 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1[C@@H]1CCc2ccccc21 ZINC000934466253 631860972 /nfs/dbraw/zinc/86/09/72/631860972.db2.gz ZBVQEHOJLJWUBA-UKRRQHHQSA-N 1 1 213.324 3.324 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1[C@H]1CCc2ccccc21 ZINC000934466258 631861811 /nfs/dbraw/zinc/86/18/11/631861811.db2.gz ZBVQEHOJLJWUBA-ZFWWWQNUSA-N 1 1 213.324 3.324 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1cnc2ccccc2c1 ZINC000934466261 631861115 /nfs/dbraw/zinc/86/11/15/631861115.db2.gz ZCDGVENGHYXNJQ-HNNXBMFYSA-N 1 1 238.334 3.385 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cnc2ccccc2c1 ZINC000934466264 631861544 /nfs/dbraw/zinc/86/15/44/631861544.db2.gz ZCDGVENGHYXNJQ-OAHLLOKOSA-N 1 1 238.334 3.385 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1CCCCCn1cc(C)cn1 ZINC000934468285 641162306 /nfs/dbraw/zinc/16/23/06/641162306.db2.gz BBTJCVIUHRWIEK-HNNXBMFYSA-N 1 1 247.386 3.012 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1CCCCCn1cc(C)cn1 ZINC000934468287 641159735 /nfs/dbraw/zinc/15/97/35/641159735.db2.gz BBTJCVIUHRWIEK-OAHLLOKOSA-N 1 1 247.386 3.012 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000934468362 641161385 /nfs/dbraw/zinc/16/13/85/641161385.db2.gz CLNNBTYVSZQBNL-LLVKDONJSA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000934468363 641159913 /nfs/dbraw/zinc/15/99/13/641159913.db2.gz CLNNBTYVSZQBNL-NSHDSACASA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000934468950 641161331 /nfs/dbraw/zinc/16/13/31/641161331.db2.gz LIBLHJAHPZMPEN-NEPJUHHUSA-N 1 1 246.310 3.306 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000934468951 641160305 /nfs/dbraw/zinc/16/03/05/641160305.db2.gz LIBLHJAHPZMPEN-NWDGAFQWSA-N 1 1 246.310 3.306 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000934468952 641161153 /nfs/dbraw/zinc/16/11/53/641161153.db2.gz LIBLHJAHPZMPEN-RYUDHWBXSA-N 1 1 246.310 3.306 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000934468953 641161955 /nfs/dbraw/zinc/16/19/55/641161955.db2.gz LIBLHJAHPZMPEN-VXGBXAGGSA-N 1 1 246.310 3.306 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccc2ccccc2n1 ZINC000934468985 641161915 /nfs/dbraw/zinc/16/19/15/641161915.db2.gz MBPQYDXGGKKNHV-HNNXBMFYSA-N 1 1 238.334 3.385 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc2ccccc2n1 ZINC000934468986 631861484 /nfs/dbraw/zinc/86/14/84/631861484.db2.gz MBPQYDXGGKKNHV-OAHLLOKOSA-N 1 1 238.334 3.385 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1ccc(C#N)cc1 ZINC000934469071 641162104 /nfs/dbraw/zinc/16/21/04/641162104.db2.gz NVFLMODLXDBCTE-DOMZBBRYSA-N 1 1 226.323 3.270 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1ccc(C#N)cc1 ZINC000934469072 641161475 /nfs/dbraw/zinc/16/14/75/641161475.db2.gz NVFLMODLXDBCTE-IUODEOHRSA-N 1 1 226.323 3.270 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1ccc(C#N)cc1 ZINC000934469073 641160074 /nfs/dbraw/zinc/16/00/74/641160074.db2.gz NVFLMODLXDBCTE-SWLSCSKDSA-N 1 1 226.323 3.270 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1ccc(C#N)cc1 ZINC000934469074 641159589 /nfs/dbraw/zinc/15/95/89/641159589.db2.gz NVFLMODLXDBCTE-WFASDCNBSA-N 1 1 226.323 3.270 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1ccccc1 ZINC000934469706 641163036 /nfs/dbraw/zinc/16/30/36/641163036.db2.gz YJDQQMWIZNIDHB-GXTWGEPZSA-N 1 1 201.313 3.398 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1ccccc1 ZINC000934469707 641164813 /nfs/dbraw/zinc/16/48/13/641164813.db2.gz YJDQQMWIZNIDHB-JSGCOSHPSA-N 1 1 201.313 3.398 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1ccccc1 ZINC000934469708 641163810 /nfs/dbraw/zinc/16/38/10/641163810.db2.gz YJDQQMWIZNIDHB-OCCSQVGLSA-N 1 1 201.313 3.398 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1ccccc1 ZINC000934469709 641165154 /nfs/dbraw/zinc/16/51/54/641165154.db2.gz YJDQQMWIZNIDHB-TZMCWYRMSA-N 1 1 201.313 3.398 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000934469913 641163847 /nfs/dbraw/zinc/16/38/47/641163847.db2.gz JQHLOUQJEJFHKC-CYBMUJFWSA-N 1 1 246.310 3.054 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000934469914 641163681 /nfs/dbraw/zinc/16/36/81/641163681.db2.gz JQHLOUQJEJFHKC-ZDUSSCGKSA-N 1 1 246.310 3.054 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cccc(F)c1F ZINC000934470950 641163531 /nfs/dbraw/zinc/16/35/31/641163531.db2.gz ITRKMKPFXBKELZ-LLVKDONJSA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cccc(F)c1F ZINC000934470950 641163526 /nfs/dbraw/zinc/16/35/26/641163526.db2.gz ITRKMKPFXBKELZ-LLVKDONJSA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cccc(F)c1F ZINC000934470952 641164865 /nfs/dbraw/zinc/16/48/65/641164865.db2.gz ITRKMKPFXBKELZ-NSHDSACASA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1cccc(F)c1F ZINC000934470952 641164863 /nfs/dbraw/zinc/16/48/63/641164863.db2.gz ITRKMKPFXBKELZ-NSHDSACASA-N 1 1 223.266 3.115 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934470999 641165022 /nfs/dbraw/zinc/16/50/22/641165022.db2.gz HNFQGJTXTPVRCH-AAEUAGOBSA-N 1 1 246.310 3.306 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934471002 631865082 /nfs/dbraw/zinc/86/50/82/631865082.db2.gz HNFQGJTXTPVRCH-DGCLKSJQSA-N 1 1 246.310 3.306 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934471006 631864225 /nfs/dbraw/zinc/86/42/25/631864225.db2.gz HNFQGJTXTPVRCH-WCQYABFASA-N 1 1 246.310 3.306 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934471008 631865058 /nfs/dbraw/zinc/86/50/58/631865058.db2.gz HNFQGJTXTPVRCH-YPMHNXCESA-N 1 1 246.310 3.306 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1nc(CCCC)no1 ZINC000934471967 641164758 /nfs/dbraw/zinc/16/47/58/641164758.db2.gz XIDAMDMTUWHYHW-NEPJUHHUSA-N 1 1 249.358 3.124 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nc(CCCC)no1 ZINC000934471967 641164754 /nfs/dbraw/zinc/16/47/54/641164754.db2.gz XIDAMDMTUWHYHW-NEPJUHHUSA-N 1 1 249.358 3.124 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1nc(CCCC)no1 ZINC000934471968 641163694 /nfs/dbraw/zinc/16/36/94/641163694.db2.gz XIDAMDMTUWHYHW-NWDGAFQWSA-N 1 1 249.358 3.124 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1nc(CCCC)no1 ZINC000934471968 641163691 /nfs/dbraw/zinc/16/36/91/641163691.db2.gz XIDAMDMTUWHYHW-NWDGAFQWSA-N 1 1 249.358 3.124 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1nc(CCCC)no1 ZINC000934471969 641165272 /nfs/dbraw/zinc/16/52/72/641165272.db2.gz XIDAMDMTUWHYHW-RYUDHWBXSA-N 1 1 249.358 3.124 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nc(CCCC)no1 ZINC000934471969 641165264 /nfs/dbraw/zinc/16/52/64/641165264.db2.gz XIDAMDMTUWHYHW-RYUDHWBXSA-N 1 1 249.358 3.124 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nc(CCCC)no1 ZINC000934471970 641165494 /nfs/dbraw/zinc/16/54/94/641165494.db2.gz XIDAMDMTUWHYHW-VXGBXAGGSA-N 1 1 249.358 3.124 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nc(CCCC)no1 ZINC000934471970 641165487 /nfs/dbraw/zinc/16/54/87/641165487.db2.gz XIDAMDMTUWHYHW-VXGBXAGGSA-N 1 1 249.358 3.124 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1csc(CCC)n1 ZINC000934472854 641163492 /nfs/dbraw/zinc/16/34/92/641163492.db2.gz QSCNNUXPAKQCPP-GFCCVEGCSA-N 1 1 236.384 3.246 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1csc(CCC)n1 ZINC000934472854 641163484 /nfs/dbraw/zinc/16/34/84/641163484.db2.gz QSCNNUXPAKQCPP-GFCCVEGCSA-N 1 1 236.384 3.246 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1csc(CCC)n1 ZINC000934472856 641164953 /nfs/dbraw/zinc/16/49/53/641164953.db2.gz QSCNNUXPAKQCPP-LBPRGKRZSA-N 1 1 236.384 3.246 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1csc(CCC)n1 ZINC000934472856 641164952 /nfs/dbraw/zinc/16/49/52/641164952.db2.gz QSCNNUXPAKQCPP-LBPRGKRZSA-N 1 1 236.384 3.246 20 30 BGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC000934473526 631866918 /nfs/dbraw/zinc/86/69/18/631866918.db2.gz WXPLYMNKRUDSMO-GFCCVEGCSA-N 1 1 244.294 3.085 20 30 BGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC000934473526 631866915 /nfs/dbraw/zinc/86/69/15/631866915.db2.gz WXPLYMNKRUDSMO-GFCCVEGCSA-N 1 1 244.294 3.085 20 30 BGEDMO C=CC[C@H]1CC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC000934473527 631866237 /nfs/dbraw/zinc/86/62/37/631866237.db2.gz WXPLYMNKRUDSMO-LBPRGKRZSA-N 1 1 244.294 3.085 20 30 BGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC000934473527 631866236 /nfs/dbraw/zinc/86/62/36/631866236.db2.gz WXPLYMNKRUDSMO-LBPRGKRZSA-N 1 1 244.294 3.085 20 30 BGEDMO C#C[C@@H]1CCCC[N@@H+]1CCCCC(F)(F)F ZINC000934514737 631895525 /nfs/dbraw/zinc/89/55/25/631895525.db2.gz LITBHGHMQNJGAV-LLVKDONJSA-N 1 1 233.277 3.207 20 30 BGEDMO C#C[C@H]1CCCC[N@@H+]1CCCCC(F)(F)F ZINC000934514740 631895508 /nfs/dbraw/zinc/89/55/08/631895508.db2.gz LITBHGHMQNJGAV-NSHDSACASA-N 1 1 233.277 3.207 20 30 BGEDMO C#C[C@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC000934516040 641173484 /nfs/dbraw/zinc/17/34/84/641173484.db2.gz BJLRTBKDHNNGMZ-AWEZNQCLSA-N 1 1 232.371 3.194 20 30 BGEDMO C#C[C@@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC000934516043 641172852 /nfs/dbraw/zinc/17/28/52/641172852.db2.gz BJLRTBKDHNNGMZ-CQSZACIVSA-N 1 1 232.371 3.194 20 30 BGEDMO 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