smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCO[C@H](C)C(=O)N(C)C1C[NH+](CC(=C)C)C1 ZINC001671104707 1166530020 /nfs/dbraw/zinc/53/00/20/1166530020.db2.gz GYGASOOXUQTYAA-CYBMUJFWSA-N 1 2 266.385 1.686 10 30 CDEELO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)[C@@H](C)COC)C1 ZINC001671138500 1167294087 /nfs/dbraw/zinc/29/40/87/1167294087.db2.gz XXVHFAFSEONHBX-STQMWFEESA-N 1 2 268.401 1.624 10 30 CDEELO C=CCC[C@@H]1CCCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC001561989921 1168091710 /nfs/dbraw/zinc/09/17/10/1168091710.db2.gz TWNMKWJIMAFBBA-CYBMUJFWSA-N 1 2 283.397 1.644 10 30 CDEELO CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#CCOC ZINC001483820399 915087099 /nfs/dbraw/zinc/08/70/99/915087099.db2.gz CDBFTXLCOKMFRO-OKILXGFUSA-N 1 2 264.369 1.112 10 30 CDEELO CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#CCOC ZINC001483820399 915087116 /nfs/dbraw/zinc/08/71/16/915087116.db2.gz CDBFTXLCOKMFRO-OKILXGFUSA-N 1 2 264.369 1.112 10 30 CDEELO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NC(C)(C)CC ZINC001266309373 894334123 /nfs/dbraw/zinc/33/41/23/894334123.db2.gz VRUAHPHVPWBQGD-UHFFFAOYSA-N 1 2 297.443 1.551 10 30 CDEELO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)NC(C)(C)CC ZINC001266309373 894334136 /nfs/dbraw/zinc/33/41/36/894334136.db2.gz VRUAHPHVPWBQGD-UHFFFAOYSA-N 1 2 297.443 1.551 10 30 CDEELO Cc1nocc1C[N@@H+](CCNC(=O)C#CC(C)C)C1CC1 ZINC001266590100 895483861 /nfs/dbraw/zinc/48/38/61/895483861.db2.gz BPYUHHUZORFBIY-UHFFFAOYSA-N 1 2 289.379 1.723 10 30 CDEELO Cc1nocc1C[N@H+](CCNC(=O)C#CC(C)C)C1CC1 ZINC001266590100 895483865 /nfs/dbraw/zinc/48/38/65/895483865.db2.gz BPYUHHUZORFBIY-UHFFFAOYSA-N 1 2 289.379 1.723 10 30 CDEELO C=C[C@](C)(CC)C(=O)NC[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001266968133 896464385 /nfs/dbraw/zinc/46/43/85/896464385.db2.gz NTUYHBSKMUZODQ-IINYFYTJSA-N 1 2 280.372 1.575 10 30 CDEELO C[C@]1(C#N)CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000693956472 897827209 /nfs/dbraw/zinc/82/72/09/897827209.db2.gz CTPACPNPPWLVHQ-HUUCEWRRSA-N 1 2 255.321 1.827 10 30 CDEELO C[C@]1(C#N)CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000693956472 897827212 /nfs/dbraw/zinc/82/72/12/897827212.db2.gz CTPACPNPPWLVHQ-HUUCEWRRSA-N 1 2 255.321 1.827 10 30 CDEELO C=CCN1CC[NH+](CCN(C)C(=O)[C@H](C)CSC)CC1 ZINC001267573995 898471097 /nfs/dbraw/zinc/47/10/97/898471097.db2.gz RPXYSYDICKFDSE-CQSZACIVSA-N 1 2 299.484 1.248 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)CC2(C)CC2)C1 ZINC001267654339 899179917 /nfs/dbraw/zinc/17/99/17/899179917.db2.gz URPJHOLDFNWOKA-UHFFFAOYSA-N 1 2 252.358 1.180 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@H](CC)[NH2+]Cc1nc(C)no1 ZINC001267808642 899781099 /nfs/dbraw/zinc/78/10/99/899781099.db2.gz VTJZHGZSGWSIQN-LBPRGKRZSA-N 1 2 294.399 1.965 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)C[C@@H](C)n2cccc2)C1 ZINC001481595947 901414472 /nfs/dbraw/zinc/41/44/72/901414472.db2.gz TZRQLBWIEPITJD-CYBMUJFWSA-N 1 2 259.353 1.263 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)CCC(C)C)C1 ZINC001268248158 901665548 /nfs/dbraw/zinc/66/55/48/901665548.db2.gz JACZKSCJMQMMNQ-UHFFFAOYSA-N 1 2 254.374 1.426 10 30 CDEELO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(CC)CCC2)C1 ZINC001481705742 901858127 /nfs/dbraw/zinc/85/81/27/901858127.db2.gz XZSUORYNPWEVLF-CYBMUJFWSA-N 1 2 293.411 1.059 10 30 CDEELO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCC2)C1 ZINC001481705742 901858132 /nfs/dbraw/zinc/85/81/32/901858132.db2.gz XZSUORYNPWEVLF-CYBMUJFWSA-N 1 2 293.411 1.059 10 30 CDEELO C=CCC[NH2+]CC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001268366151 901946492 /nfs/dbraw/zinc/94/64/92/901946492.db2.gz LEZMWVCXSLQRBF-DTWKUNHWSA-N 1 2 270.270 1.947 10 30 CDEELO C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001268366151 901946494 /nfs/dbraw/zinc/94/64/94/901946494.db2.gz LEZMWVCXSLQRBF-DTWKUNHWSA-N 1 2 270.270 1.947 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)c2ccccc2OC)C1 ZINC001567813422 1168989649 /nfs/dbraw/zinc/98/96/49/1168989649.db2.gz CJVIJNURKLAJAZ-UHFFFAOYSA-N 1 2 290.363 1.312 10 30 CDEELO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)OCC(C)C ZINC001269206352 903551971 /nfs/dbraw/zinc/55/19/71/903551971.db2.gz VQOVBPGVUGOILY-KGLIPLIRSA-N 1 2 266.385 1.261 10 30 CDEELO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)OCC(C)C ZINC001269206352 903551980 /nfs/dbraw/zinc/55/19/80/903551980.db2.gz VQOVBPGVUGOILY-KGLIPLIRSA-N 1 2 266.385 1.261 10 30 CDEELO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001567815266 1168992512 /nfs/dbraw/zinc/99/25/12/1168992512.db2.gz IBOPEQIWNONVGX-CYBMUJFWSA-N 1 2 274.364 1.830 10 30 CDEELO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)OC ZINC001269343981 903717509 /nfs/dbraw/zinc/71/75/09/903717509.db2.gz QCTLVHJVQSLIAE-HZPDHXFCSA-N 1 2 286.375 1.068 10 30 CDEELO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)OC ZINC001269343981 903717514 /nfs/dbraw/zinc/71/75/14/903717514.db2.gz QCTLVHJVQSLIAE-HZPDHXFCSA-N 1 2 286.375 1.068 10 30 CDEELO C=CC(C)(C)CC(=O)NCC1([NH2+]Cc2nncs2)CC1 ZINC001269420120 903795041 /nfs/dbraw/zinc/79/50/41/903795041.db2.gz QSOFGDNTXZMIGL-UHFFFAOYSA-N 1 2 294.424 1.879 10 30 CDEELO C[C@H]1C[C@H]1C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001269616297 903980992 /nfs/dbraw/zinc/98/09/92/903980992.db2.gz KLWNXXLQAOGEII-SWLSCSKDSA-N 1 2 275.396 1.869 10 30 CDEELO C[C@H]1C[C@H]1C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001269616297 903980999 /nfs/dbraw/zinc/98/09/99/903980999.db2.gz KLWNXXLQAOGEII-SWLSCSKDSA-N 1 2 275.396 1.869 10 30 CDEELO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NC ZINC001269655194 904011763 /nfs/dbraw/zinc/01/17/63/904011763.db2.gz OYWARWZVAKUTMT-MCIONIFRSA-N 1 2 293.411 1.152 10 30 CDEELO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC ZINC001269655194 904011776 /nfs/dbraw/zinc/01/17/76/904011776.db2.gz OYWARWZVAKUTMT-MCIONIFRSA-N 1 2 293.411 1.152 10 30 CDEELO C=C(C)C[NH+]1CC(N(C)C(=O)CCNC(=O)CC(C)C)C1 ZINC001269899744 904191772 /nfs/dbraw/zinc/19/17/72/904191772.db2.gz QJDPJYHXUVRUAQ-UHFFFAOYSA-N 1 2 295.427 1.258 10 30 CDEELO C=C[C@@H](CC)CC(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001567838523 1169006339 /nfs/dbraw/zinc/00/63/39/1169006339.db2.gz CHUPTYZLQZUGKW-ZDUSSCGKSA-N 1 2 290.411 1.570 10 30 CDEELO C=CCCC(=O)N[C@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001486665990 921166635 /nfs/dbraw/zinc/16/66/35/921166635.db2.gz MTFSSLZJRSVGME-MNOVXSKESA-N 1 2 292.383 1.236 10 30 CDEELO C=C1CC(C)(C(=O)N[C@H](C)C[NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001483166011 909899852 /nfs/dbraw/zinc/89/98/52/909899852.db2.gz JTJMKCUTBGXGIG-MNOVXSKESA-N 1 2 292.383 1.890 10 30 CDEELO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC(C)(C)C ZINC001483637301 912095554 /nfs/dbraw/zinc/09/55/54/912095554.db2.gz UOLOJCCJBRPEPJ-OLZOCXBDSA-N 1 2 295.427 1.446 10 30 CDEELO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC(C)(C)C ZINC001483637301 912095569 /nfs/dbraw/zinc/09/55/69/912095569.db2.gz UOLOJCCJBRPEPJ-OLZOCXBDSA-N 1 2 295.427 1.446 10 30 CDEELO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)CSC ZINC001484589358 915921537 /nfs/dbraw/zinc/92/15/37/915921537.db2.gz UCPMLMIHATYGGX-STQMWFEESA-N 1 2 286.441 1.379 10 30 CDEELO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)CSC ZINC001484589358 915921546 /nfs/dbraw/zinc/92/15/46/915921546.db2.gz UCPMLMIHATYGGX-STQMWFEESA-N 1 2 286.441 1.379 10 30 CDEELO C#CCCCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccon1 ZINC001485056407 916420687 /nfs/dbraw/zinc/42/06/87/916420687.db2.gz QYMOLEJAZOVNHD-HNNXBMFYSA-N 1 2 289.379 1.901 10 30 CDEELO C#CCCCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccon1 ZINC001485056407 916420698 /nfs/dbraw/zinc/42/06/98/916420698.db2.gz QYMOLEJAZOVNHD-HNNXBMFYSA-N 1 2 289.379 1.901 10 30 CDEELO Cc1csc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)C#N)n1 ZINC001485289287 916766221 /nfs/dbraw/zinc/76/62/21/916766221.db2.gz YQBFZUGFULDMJS-GXSJLCMTSA-N 1 2 280.397 1.548 10 30 CDEELO Cc1csc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)C#N)n1 ZINC001485289287 916766231 /nfs/dbraw/zinc/76/62/31/916766231.db2.gz YQBFZUGFULDMJS-GXSJLCMTSA-N 1 2 280.397 1.548 10 30 CDEELO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(OC)n2)C1=O ZINC001181244446 916911112 /nfs/dbraw/zinc/91/11/12/916911112.db2.gz SQBZNDWLGTVTNL-CQSZACIVSA-N 1 2 289.379 1.617 10 30 CDEELO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)c(OC)n2)C1=O ZINC001181244446 916911123 /nfs/dbraw/zinc/91/11/23/916911123.db2.gz SQBZNDWLGTVTNL-CQSZACIVSA-N 1 2 289.379 1.617 10 30 CDEELO C=C(CO)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001137730349 936399519 /nfs/dbraw/zinc/39/95/19/936399519.db2.gz HREGCVUAIRKFHF-MRXNPFEDSA-N 1 2 299.374 1.906 10 30 CDEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)CCCOC)C1 ZINC001568227384 1169190587 /nfs/dbraw/zinc/19/05/87/1169190587.db2.gz YQQMKZZDPXVKPC-ZIAGYGMSSA-N 1 2 284.400 1.052 10 30 CDEELO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)CCCOC)C1 ZINC001568227384 1169190595 /nfs/dbraw/zinc/19/05/95/1169190595.db2.gz YQQMKZZDPXVKPC-ZIAGYGMSSA-N 1 2 284.400 1.052 10 30 CDEELO CNc1cc(CNC(=O)N2CC[C@](F)(C#N)C2)cc[nH+]1 ZINC001649313398 1169191318 /nfs/dbraw/zinc/19/13/18/1169191318.db2.gz STBYQOMQNKTBJW-ZDUSSCGKSA-N 1 2 277.303 1.270 10 30 CDEELO C=CCCCC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)OC ZINC001272885264 919958842 /nfs/dbraw/zinc/95/88/42/919958842.db2.gz KJGQJBWUOPXVCL-ZIAGYGMSSA-N 1 2 284.400 1.195 10 30 CDEELO C=CCCCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)OC ZINC001272885264 919958849 /nfs/dbraw/zinc/95/88/49/919958849.db2.gz KJGQJBWUOPXVCL-ZIAGYGMSSA-N 1 2 284.400 1.195 10 30 CDEELO C=C(C)C(C)(C)C(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001568292191 1169227720 /nfs/dbraw/zinc/22/77/20/1169227720.db2.gz XUQFJRCSDCVOTQ-LLVKDONJSA-N 1 2 294.399 1.917 10 30 CDEELO C=CCCC(=O)NC/C=C\C[NH2+]Cc1ncc(C)o1 ZINC001273898564 926329114 /nfs/dbraw/zinc/32/91/14/926329114.db2.gz BFCQRGRJPFJMEN-WAYWQWQTSA-N 1 2 263.341 1.711 10 30 CDEELO C#CCN1CC[NH+](CCNC(=O)C[C@H]2C=CCCC2)CC1 ZINC001490494627 927189662 /nfs/dbraw/zinc/18/96/62/927189662.db2.gz MAVLTNXXAZAYII-INIZCTEOSA-N 1 2 289.423 1.100 10 30 CDEELO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001490530705 927198347 /nfs/dbraw/zinc/19/83/47/927198347.db2.gz IHRIKGZULDJFDF-HOCLYGCPSA-N 1 2 281.359 1.388 10 30 CDEELO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001490530705 927198358 /nfs/dbraw/zinc/19/83/58/927198358.db2.gz IHRIKGZULDJFDF-HOCLYGCPSA-N 1 2 281.359 1.388 10 30 CDEELO CC#CCN1CC[NH+](CCNC(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001490507615 927214506 /nfs/dbraw/zinc/21/45/06/927214506.db2.gz QOLWPZMMBWLKLK-HOTGVXAUSA-N 1 2 293.455 1.426 10 30 CDEELO Cc1nc(C[NH2+]C/C=C\CNC(=O)C#CC(C)C)oc1C ZINC001274006168 931095234 /nfs/dbraw/zinc/09/52/34/931095234.db2.gz DAXJQKQVJHMVPH-WAYWQWQTSA-N 1 2 289.379 1.713 10 30 CDEELO C=CCCn1cc(C(=O)Nc2ccn3cc[nH+]c3c2)nn1 ZINC001274970330 931620387 /nfs/dbraw/zinc/62/03/87/931620387.db2.gz XBGHEUYSTUTTDS-UHFFFAOYSA-N 1 2 282.307 1.754 10 30 CDEELO C=CC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1nnc(C(C)C)o1 ZINC001275265852 931717544 /nfs/dbraw/zinc/71/75/44/931717544.db2.gz FVHDUFCMEPXSDF-NSHDSACASA-N 1 2 294.399 2.000 10 30 CDEELO C#CC[C@H]([NH2+][C@H](C)CC(C)(C)CC(=O)OC)C(=O)OC ZINC001118639981 937649528 /nfs/dbraw/zinc/64/95/28/937649528.db2.gz 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C=C1CC(C)(C(=O)N(C)C[C@@H](C)[NH2+]Cc2nc(C)no2)C1 ZINC001725506793 1182029151 /nfs/dbraw/zinc/02/91/51/1182029151.db2.gz NRWXOUGTFOUASA-LLVKDONJSA-N 1 2 292.383 1.671 10 30 CDEELO C=CCNC(=O)C[N@H+](C)CCNC(=O)C(F)=C1CCCC1 ZINC001731767880 1182561553 /nfs/dbraw/zinc/56/15/53/1182561553.db2.gz VCCSNWYNRKQCHS-UHFFFAOYSA-N 1 2 297.374 1.134 10 30 CDEELO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C(F)=C1CCCC1 ZINC001731767880 1182561559 /nfs/dbraw/zinc/56/15/59/1182561559.db2.gz VCCSNWYNRKQCHS-UHFFFAOYSA-N 1 2 297.374 1.134 10 30 CDEELO C=CCCC(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001732095447 1182764297 /nfs/dbraw/zinc/76/42/97/1182764297.db2.gz NCJQEQQVWRNVQY-CYBMUJFWSA-N 1 2 266.385 1.568 10 30 CDEELO CC(C)(C)C#CC(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001732097254 1182765804 /nfs/dbraw/zinc/76/58/04/1182765804.db2.gz CYFINHURWSXCHB-AWEZNQCLSA-N 1 2 292.423 1.651 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)CCC2CCC2)C1 ZINC001732096866 1182766547 /nfs/dbraw/zinc/76/65/47/1182766547.db2.gz LZEIDAPEJPUSFT-UHFFFAOYSA-N 1 2 266.385 1.570 10 30 CDEELO CCCc1nc(C[NH2+]CCCN(C)C(=O)[C@@H](C)C#N)no1 ZINC001733092487 1183287620 /nfs/dbraw/zinc/28/76/20/1183287620.db2.gz PAFWVYLAIXQSPR-NSHDSACASA-N 1 2 293.371 1.120 10 30 CDEELO C=CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nncs3)C[C@@H]2C1 ZINC001733573077 1183469387 /nfs/dbraw/zinc/46/93/87/1183469387.db2.gz VEDSPTIFCMDNHG-TXEJJXNPSA-N 1 2 292.408 1.395 10 30 CDEELO C=CCCC(=O)N1C[C@@H]2C[N@H+](Cc3nncs3)C[C@@H]2C1 ZINC001733573077 1183469391 /nfs/dbraw/zinc/46/93/91/1183469391.db2.gz VEDSPTIFCMDNHG-TXEJJXNPSA-N 1 2 292.408 1.395 10 30 CDEELO C=CCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001733837492 1183542619 /nfs/dbraw/zinc/54/26/19/1183542619.db2.gz FQYUAHVULJFWEM-PWSUYJOCSA-N 1 2 278.356 1.281 10 30 CDEELO C=CCCCC(=O)N[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001737458755 1184141855 /nfs/dbraw/zinc/14/18/55/1184141855.db2.gz CRNVJFZLHIIUGO-HAQNSBGRSA-N 1 2 290.367 1.072 10 30 CDEELO CC(C)(C#N)CC(=O)NCCCNc1cccc[nH+]1 ZINC000287460787 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ZINC001716741367 1180393625 /nfs/dbraw/zinc/39/36/25/1180393625.db2.gz WYEQCOVGQQGBCC-UHFFFAOYSA-N 1 2 294.439 1.851 10 30 CDEELO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)SC)CO2 ZINC001717227677 1180583000 /nfs/dbraw/zinc/58/30/00/1180583000.db2.gz YZBYLUMOOUKSFP-NWDGAFQWSA-N 1 2 284.425 1.274 10 30 CDEELO C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](C)[NH2+]Cc1csnn1 ZINC001717409330 1180656897 /nfs/dbraw/zinc/65/68/97/1180656897.db2.gz COSXHHXZTRLQHV-WDEREUQCSA-N 1 2 294.424 1.570 10 30 CDEELO C[C@@H]([NH2+]Cc1cnsn1)[C@H](C)NC(=O)C#CC(C)(C)C ZINC001717410508 1180657634 /nfs/dbraw/zinc/65/76/34/1180657634.db2.gz LQHKGWCEMASEKP-MNOVXSKESA-N 1 2 294.424 1.570 10 30 CDEELO C#CC[N@@H+](C)[C@H](C)CNC(=O)c1cn[nH]c1-c1ccccn1 ZINC001717476891 1180696100 /nfs/dbraw/zinc/69/61/00/1180696100.db2.gz SHJGTNFEDYEACJ-GFCCVEGCSA-N 1 2 297.362 1.155 10 30 CDEELO C#CC[N@H+](C)[C@H](C)CNC(=O)c1cn[nH]c1-c1ccccn1 ZINC001717476891 1180696103 /nfs/dbraw/zinc/69/61/03/1180696103.db2.gz SHJGTNFEDYEACJ-GFCCVEGCSA-N 1 2 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C=CCCC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)c1nnc(C)o1 ZINC001493082871 971941130 /nfs/dbraw/zinc/94/11/30/971941130.db2.gz ICUDVJGMBZYHOW-YPMHNXCESA-N 1 2 292.383 1.986 10 30 CDEELO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)c1nnc(C)o1 ZINC001493082871 971941134 /nfs/dbraw/zinc/94/11/34/971941134.db2.gz ICUDVJGMBZYHOW-YPMHNXCESA-N 1 2 292.383 1.986 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC001493229442 971989972 /nfs/dbraw/zinc/98/99/72/971989972.db2.gz ZZZIFDJEBYLMCI-GFCCVEGCSA-N 1 2 291.399 1.263 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC001493229442 971989978 /nfs/dbraw/zinc/98/99/78/971989978.db2.gz ZZZIFDJEBYLMCI-GFCCVEGCSA-N 1 2 291.399 1.263 10 30 CDEELO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)C(F)F ZINC001326610794 954452783 /nfs/dbraw/zinc/45/27/83/954452783.db2.gz GUKCQIMVZUHWBM-JTQLQIEISA-N 1 2 262.300 1.035 10 30 CDEELO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)C(F)F ZINC001326610794 954452777 /nfs/dbraw/zinc/45/27/77/954452777.db2.gz GUKCQIMVZUHWBM-JTQLQIEISA-N 1 2 262.300 1.035 10 30 CDEELO CC(C)CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1 ZINC001326631750 954466813 /nfs/dbraw/zinc/46/68/13/954466813.db2.gz FBZRWBOXVIWKGF-INIZCTEOSA-N 1 2 292.423 1.653 10 30 CDEELO CC(C)CCC[N@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1 ZINC001326631750 954466823 /nfs/dbraw/zinc/46/68/23/954466823.db2.gz FBZRWBOXVIWKGF-INIZCTEOSA-N 1 2 292.423 1.653 10 30 CDEELO C=C[C@](C)(CC)C(=O)NC[C@H]1COCC[N@@H+]1CCCF ZINC001326656733 954476906 /nfs/dbraw/zinc/47/69/06/954476906.db2.gz YMEYXXILGSUKDU-DZGCQCFKSA-N 1 2 286.391 1.765 10 30 CDEELO C=C[C@](C)(CC)C(=O)NC[C@H]1COCC[N@H+]1CCCF ZINC001326656733 954476914 /nfs/dbraw/zinc/47/69/14/954476914.db2.gz YMEYXXILGSUKDU-DZGCQCFKSA-N 1 2 286.391 1.765 10 30 CDEELO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](F)C(C)C)O2 ZINC001327359111 954845054 /nfs/dbraw/zinc/84/50/54/954845054.db2.gz KLXBLHZRRBJODE-ZIAGYGMSSA-N 1 2 298.402 1.906 10 30 CDEELO C#CC[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC001327653583 954978317 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C[C@H](C[NH2+]Cc1nc(C2CCC2)no1)NC(=O)[C@@H](C)C#N ZINC001422469333 956040109 /nfs/dbraw/zinc/04/01/09/956040109.db2.gz BJTCXIKAIZSOMZ-VHSXEESVSA-N 1 2 291.355 1.091 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)CC2(OC)CCC2)C1 ZINC001329651080 956045869 /nfs/dbraw/zinc/04/58/69/956045869.db2.gz AHSFNFPJRCHYED-UHFFFAOYSA-N 1 2 296.411 1.075 10 30 CDEELO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@]1(C)CCOC1 ZINC001422573765 956163635 /nfs/dbraw/zinc/16/36/35/956163635.db2.gz MHNJLDSRJAIDDV-AAEUAGOBSA-N 1 2 274.792 1.602 10 30 CDEELO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(C)CCOC1 ZINC001422573765 956163644 /nfs/dbraw/zinc/16/36/44/956163644.db2.gz MHNJLDSRJAIDDV-AAEUAGOBSA-N 1 2 274.792 1.602 10 30 CDEELO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cnns2)C1 ZINC001366177493 956622408 /nfs/dbraw/zinc/62/24/08/956622408.db2.gz DSDQLPXEEYGTDS-QWRGUYRKSA-N 1 2 293.396 1.026 10 30 CDEELO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC001366177493 956622423 /nfs/dbraw/zinc/62/24/23/956622423.db2.gz 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957543013 /nfs/dbraw/zinc/54/30/13/957543013.db2.gz ZZNNABUXWJQHQP-UHFFFAOYSA-N 1 2 276.384 1.797 10 30 CDEELO C=C(C)C[N@@H+](CCNC(=O)c1[nH]nc(C)c1C)C1CC1 ZINC001317549583 957543022 /nfs/dbraw/zinc/54/30/22/957543022.db2.gz ZZNNABUXWJQHQP-UHFFFAOYSA-N 1 2 276.384 1.797 10 30 CDEELO C[C@H](CN(C)C(=O)[C@@H](C)C#N)[NH2+]Cc1nn(C)cc1Cl ZINC001425557198 957565997 /nfs/dbraw/zinc/56/59/97/957565997.db2.gz ZEFYSXIVNSNDJZ-VHSXEESVSA-N 1 2 297.790 1.170 10 30 CDEELO C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](CC)C(N)=O ZINC001494674765 972285965 /nfs/dbraw/zinc/28/59/65/972285965.db2.gz OVZPJHCXOFHVEW-AVGNSLFASA-N 1 2 293.411 1.138 10 30 CDEELO C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](CC)C(N)=O ZINC001494674765 972285969 /nfs/dbraw/zinc/28/59/69/972285969.db2.gz OVZPJHCXOFHVEW-AVGNSLFASA-N 1 2 293.411 1.138 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001318038644 957875612 /nfs/dbraw/zinc/87/56/12/957875612.db2.gz VVAPCWJHLFYUMX-LLVKDONJSA-N 1 2 288.395 1.344 10 30 CDEELO C=CCCCC(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001318059700 957889251 /nfs/dbraw/zinc/88/92/51/957889251.db2.gz UPRTZZDKBBADLE-AWEZNQCLSA-N 1 2 280.412 1.958 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)c2cccc3[nH]ccc32)C1 ZINC001318062342 957895726 /nfs/dbraw/zinc/89/57/26/957895726.db2.gz BMOFKPNQJBFBDU-UHFFFAOYSA-N 1 2 299.374 1.785 10 30 CDEELO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(C)=O ZINC001318184498 957959774 /nfs/dbraw/zinc/95/97/74/957959774.db2.gz KTPWJODYHKFICN-SNPRPXQTSA-N 1 2 293.411 1.105 10 30 CDEELO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(C)=O ZINC001318184498 957959784 /nfs/dbraw/zinc/95/97/84/957959784.db2.gz KTPWJODYHKFICN-SNPRPXQTSA-N 1 2 293.411 1.105 10 30 CDEELO C=C1CCC(CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001333480801 958365809 /nfs/dbraw/zinc/36/58/09/958365809.db2.gz DMOOGXLZTNXDQG-AWEZNQCLSA-N 1 2 295.427 1.753 10 30 CDEELO C=C1CCC(CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001333480801 958365823 /nfs/dbraw/zinc/36/58/23/958365823.db2.gz DMOOGXLZTNXDQG-AWEZNQCLSA-N 1 2 295.427 1.753 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](CCOCC)CCO1 ZINC001319311652 958491540 /nfs/dbraw/zinc/49/15/40/958491540.db2.gz WHAFIZMJOMXXAB-CQSZACIVSA-N 1 2 298.427 1.442 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](CCOCC)CCO1 ZINC001319311652 958491546 /nfs/dbraw/zinc/49/15/46/958491546.db2.gz WHAFIZMJOMXXAB-CQSZACIVSA-N 1 2 298.427 1.442 10 30 CDEELO C=CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc(CC)no2)C1 ZINC001320039479 958893080 /nfs/dbraw/zinc/89/30/80/958893080.db2.gz LZJHWNASKAENOA-GHMZBOCLSA-N 1 2 251.330 1.970 10 30 CDEELO C=CCO[C@@H]1CC[N@H+]([C@H](C)c2nc(CC)no2)C1 ZINC001320039479 958893095 /nfs/dbraw/zinc/89/30/95/958893095.db2.gz LZJHWNASKAENOA-GHMZBOCLSA-N 1 2 251.330 1.970 10 30 CDEELO C=CCO[C@H]1CC[N@@H+](Cn2c(=O)oc3ccc(F)cc32)C1 ZINC001320993544 959515764 /nfs/dbraw/zinc/51/57/64/959515764.db2.gz FRQRTKQVIHVKCU-LBPRGKRZSA-N 1 2 292.310 1.968 10 30 CDEELO C=CCO[C@H]1CC[N@H+](Cn2c(=O)oc3ccc(F)cc32)C1 ZINC001320993544 959515774 /nfs/dbraw/zinc/51/57/74/959515774.db2.gz FRQRTKQVIHVKCU-LBPRGKRZSA-N 1 2 292.310 1.968 10 30 CDEELO Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H](C)C#N)C2)on1 ZINC001369794138 959868890 /nfs/dbraw/zinc/86/88/90/959868890.db2.gz DQSYDLZJTWJBEZ-CMPLNLGQSA-N 1 2 276.340 1.223 10 30 CDEELO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H](C)C#N)C2)on1 ZINC001369794138 959868899 /nfs/dbraw/zinc/86/88/99/959868899.db2.gz DQSYDLZJTWJBEZ-CMPLNLGQSA-N 1 2 276.340 1.223 10 30 CDEELO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(F)(F)CC[C@@H]1C ZINC001336773507 960572995 /nfs/dbraw/zinc/57/29/95/960572995.db2.gz CXBBGCORXLRZKB-RYUDHWBXSA-N 1 2 270.323 1.730 10 30 CDEELO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(F)(F)CC[C@@H]1C ZINC001336773507 960573004 /nfs/dbraw/zinc/57/30/04/960573004.db2.gz CXBBGCORXLRZKB-RYUDHWBXSA-N 1 2 270.323 1.730 10 30 CDEELO C=CC[NH+]1CC(N(C)C(=O)CC(F)(F)C(F)F)C1 ZINC001323980483 961082782 /nfs/dbraw/zinc/08/27/82/961082782.db2.gz CGMYKYYGHLBANW-UHFFFAOYSA-N 1 2 268.254 1.606 10 30 CDEELO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[C@H](C)OC)C1 ZINC001419157343 961444539 /nfs/dbraw/zinc/44/45/39/961444539.db2.gz MLDPKXZYFBEZNF-RYUDHWBXSA-N 1 2 274.792 1.745 10 30 CDEELO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[C@H](C)OC)C1 ZINC001419157343 961444554 /nfs/dbraw/zinc/44/45/54/961444554.db2.gz MLDPKXZYFBEZNF-RYUDHWBXSA-N 1 2 274.792 1.745 10 30 CDEELO CC(C)(CC[N@@H+]1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C1CC1 ZINC001434489899 961525010 /nfs/dbraw/zinc/52/50/10/961525010.db2.gz HUOYDENURDLGSY-ZFWWWQNUSA-N 1 2 296.436 1.683 10 30 CDEELO CC(C)(CC[N@H+]1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C1CC1 ZINC001434489899 961525020 /nfs/dbraw/zinc/52/50/20/961525020.db2.gz HUOYDENURDLGSY-ZFWWWQNUSA-N 1 2 296.436 1.683 10 30 CDEELO C#CCC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCOCC1 ZINC001340046371 962709907 /nfs/dbraw/zinc/70/99/07/962709907.db2.gz CZEIEMXKELDWKH-CYBMUJFWSA-N 1 2 287.363 1.134 10 30 CDEELO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1CC(OCC)C1 ZINC001420381416 962821156 /nfs/dbraw/zinc/82/11/56/962821156.db2.gz GMAUQBPKIXVBOV-UHFFFAOYSA-N 1 2 288.819 1.992 10 30 CDEELO C=C(Cl)C[N@H+](CC)CCNC(=O)C1CC(OCC)C1 ZINC001420381416 962821166 /nfs/dbraw/zinc/82/11/66/962821166.db2.gz GMAUQBPKIXVBOV-UHFFFAOYSA-N 1 2 288.819 1.992 10 30 CDEELO CCn1ccc(C[N@@H+]2CC[C@](C)(NC(=O)[C@@H](C)C#N)C2)n1 ZINC001421182778 963487581 /nfs/dbraw/zinc/48/75/81/963487581.db2.gz INUSDQFDNJNFAO-WFASDCNBSA-N 1 2 289.383 1.143 10 30 CDEELO CCn1ccc(C[N@H+]2CC[C@](C)(NC(=O)[C@@H](C)C#N)C2)n1 ZINC001421182778 963487589 /nfs/dbraw/zinc/48/75/89/963487589.db2.gz INUSDQFDNJNFAO-WFASDCNBSA-N 1 2 289.383 1.143 10 30 CDEELO CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001479246359 963726735 /nfs/dbraw/zinc/72/67/35/963726735.db2.gz NNXPMYTZRXSAEI-RBSFLKMASA-N 1 2 278.396 1.215 10 30 CDEELO CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001479246359 963726741 /nfs/dbraw/zinc/72/67/41/963726741.db2.gz NNXPMYTZRXSAEI-RBSFLKMASA-N 1 2 278.396 1.215 10 30 CDEELO C=CCn1c(N(CC)CC)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001342387084 963727852 /nfs/dbraw/zinc/72/78/52/963727852.db2.gz YCKNOYRGYOFTHP-IUODEOHRSA-N 1 2 293.415 1.222 10 30 CDEELO C=CCn1c(N(CC)CC)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001342387084 963727857 /nfs/dbraw/zinc/72/78/57/963727857.db2.gz YCKNOYRGYOFTHP-IUODEOHRSA-N 1 2 293.415 1.222 10 30 CDEELO Cc1nc(C[NH+]2CC([C@H](C)NC(=O)[C@H](C)C#N)C2)c(C)o1 ZINC001441140769 964384395 /nfs/dbraw/zinc/38/43/95/964384395.db2.gz AFNXJIQNQGEODX-ZJUUUORDSA-N 1 2 290.367 1.388 10 30 CDEELO N#CCc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001557190714 965153990 /nfs/dbraw/zinc/15/39/90/965153990.db2.gz CRGPCRQBVFQOGI-UHFFFAOYSA-N 1 2 254.293 1.266 10 30 CDEELO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H](F)C2)C1 ZINC001569489003 1169897712 /nfs/dbraw/zinc/89/77/12/1169897712.db2.gz DWAOJAXYYVJDNY-KGLIPLIRSA-N 1 2 298.402 1.860 10 30 CDEELO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCC)C(C)(C)C1 ZINC001448389543 967093532 /nfs/dbraw/zinc/09/35/32/967093532.db2.gz FKDRHSOMUZADSM-VXGBXAGGSA-N 1 2 288.819 1.991 10 30 CDEELO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OCC)C(C)(C)C1 ZINC001448389543 967093542 /nfs/dbraw/zinc/09/35/42/967093542.db2.gz FKDRHSOMUZADSM-VXGBXAGGSA-N 1 2 288.819 1.991 10 30 CDEELO C[C@H](C#N)C(=O)N(C)[C@H](C[NH2+]Cc1cnsn1)C1CC1 ZINC001448576606 967158134 /nfs/dbraw/zinc/15/81/34/967158134.db2.gz YJSOVPAGPRFMFA-BXKDBHETSA-N 1 2 293.396 1.024 10 30 CDEELO C#C[C@H](CO)NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001450337102 967696094 /nfs/dbraw/zinc/69/60/94/967696094.db2.gz XJKJXVATZGMEIT-MCIONIFRSA-N 1 2 287.363 1.163 10 30 CDEELO C#CCONC(=O)C1(c2ccccc2)CC[NH+](CC)CC1 ZINC001453282346 968275691 /nfs/dbraw/zinc/27/56/91/968275691.db2.gz UGVDMWYOVJTRRL-UHFFFAOYSA-N 1 2 286.375 1.721 10 30 CDEELO C#CC[NH+]1CCN(c2nnc(CC)n2[C@H]2C[C@@H]2C)CC1 ZINC001300701064 968860135 /nfs/dbraw/zinc/86/01/35/968860135.db2.gz FDTFLMHYDGIMMS-STQMWFEESA-N 1 2 273.384 1.177 10 30 CDEELO N#Cc1ccc([N+](=O)[O-])c(N2CCc3[nH+]c[nH]c3C2)c1 ZINC001458411069 969298413 /nfs/dbraw/zinc/29/84/13/969298413.db2.gz AEFVLJOFMPFKDH-UHFFFAOYSA-N 1 2 269.264 1.752 10 30 CDEELO Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001472134232 970588351 /nfs/dbraw/zinc/58/83/51/970588351.db2.gz CKXKGEDBMTYLKR-UHFFFAOYSA-N 1 2 293.286 1.867 10 30 CDEELO COc1cc(C(=O)NCCc2[nH]cc[nH+]2)ccc1C#N ZINC001361867343 970623389 /nfs/dbraw/zinc/62/33/89/970623389.db2.gz HDGGTUMWKIKYFO-UHFFFAOYSA-N 1 2 270.292 1.262 10 30 CDEELO C=CCCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(CC)CC ZINC001498944864 974124991 /nfs/dbraw/zinc/12/49/91/974124991.db2.gz RQTNCNCXMQBGFU-CYBMUJFWSA-N 1 2 281.400 1.012 10 30 CDEELO C=CCCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(CC)CC ZINC001498944864 974124995 /nfs/dbraw/zinc/12/49/95/974124995.db2.gz RQTNCNCXMQBGFU-CYBMUJFWSA-N 1 2 281.400 1.012 10 30 CDEELO CC(C)C[C@H](C(=O)NC[C@H]1CCN1CC#N)n1cc[nH+]c1 ZINC001499000322 974155964 /nfs/dbraw/zinc/15/59/64/974155964.db2.gz LPIWSXQDELZXEA-ZIAGYGMSSA-N 1 2 289.383 1.184 10 30 CDEELO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C)OCCC=C)C1 ZINC001499641867 974281881 /nfs/dbraw/zinc/28/18/81/974281881.db2.gz QLNGHLPSODADJZ-CYBMUJFWSA-N 1 2 264.369 1.134 10 30 CDEELO C=CC(C)(C)CC(=O)N(C)C1C[NH+](CCn2cccn2)C1 ZINC001499674275 974289165 /nfs/dbraw/zinc/28/91/65/974289165.db2.gz RWUXQMBBDSLZIL-UHFFFAOYSA-N 1 2 290.411 1.628 10 30 CDEELO C=C(C)C[NH+]1CC(N(C)C(=O)CN(C)c2ccccc2)C1 ZINC001499805856 974306173 /nfs/dbraw/zinc/30/61/73/974306173.db2.gz WLUFBJIGAIERIV-UHFFFAOYSA-N 1 2 287.407 1.842 10 30 CDEELO C#CCC[NH+]1CC(O)(CNC(=O)[C@@](C)(F)CCCC)C1 ZINC001500869371 974492338 /nfs/dbraw/zinc/49/23/38/974492338.db2.gz FHCFGEFEMFKJJY-AWEZNQCLSA-N 1 2 284.375 1.091 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](C)Cc2ccco2)C1 ZINC001500946216 974500552 /nfs/dbraw/zinc/50/05/52/974500552.db2.gz GDEOKDGUTUSBFB-CYBMUJFWSA-N 1 2 292.379 1.197 10 30 CDEELO C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1CNCC#N ZINC001501125115 974538388 /nfs/dbraw/zinc/53/83/88/974538388.db2.gz LBVCKGNKYGTMBK-STQMWFEESA-N 1 2 297.362 1.156 10 30 CDEELO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)no1 ZINC001501754933 974634834 /nfs/dbraw/zinc/63/48/34/974634834.db2.gz MPLBPPQFQSOHIO-ZDUSSCGKSA-N 1 2 293.367 1.380 10 30 CDEELO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)no1 ZINC001501754933 974634839 /nfs/dbraw/zinc/63/48/39/974634839.db2.gz MPLBPPQFQSOHIO-ZDUSSCGKSA-N 1 2 293.367 1.380 10 30 CDEELO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)/C=C(\C)C1CC1 ZINC001501762147 974636669 /nfs/dbraw/zinc/63/66/69/974636669.db2.gz LYBVLGGJAGVZQP-VOMSXAGXSA-N 1 2 276.380 1.183 10 30 CDEELO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)/C=C(\C)C1CC1 ZINC001501762147 974636671 /nfs/dbraw/zinc/63/66/71/974636671.db2.gz LYBVLGGJAGVZQP-VOMSXAGXSA-N 1 2 276.380 1.183 10 30 CDEELO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](OC)C1CCC1 ZINC001377198085 974921019 /nfs/dbraw/zinc/92/10/19/974921019.db2.gz INBTXVLEOAJHOU-GFCCVEGCSA-N 1 2 274.792 1.602 10 30 CDEELO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](OC)C1CCC1 ZINC001377198085 974921021 /nfs/dbraw/zinc/92/10/21/974921021.db2.gz 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C=CCNC(=O)C[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640152546 374376088 /nfs/dbraw/zinc/37/60/88/374376088.db2.gz FOAUZLTYYXMDLS-LBPRGKRZSA-N 1 2 254.280 1.728 10 30 CDEELO C=CC[C@@H](CO)CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000632295590 377258656 /nfs/dbraw/zinc/25/86/56/377258656.db2.gz PNISDRGEPHLQJL-OAHLLOKOSA-N 1 2 299.374 1.716 10 30 CDEELO C=CC[N@H+](Cc1cn(C[C@H]2CCOC2)nn1)C1CC1 ZINC000639058136 377650505 /nfs/dbraw/zinc/65/05/05/377650505.db2.gz HSFLWOVCEOJPIT-GFCCVEGCSA-N 1 2 262.357 1.465 10 30 CDEELO C=CC[N@@H+](Cc1cn(C[C@H]2CCOC2)nn1)C1CC1 ZINC000639058136 377650515 /nfs/dbraw/zinc/65/05/15/377650515.db2.gz HSFLWOVCEOJPIT-GFCCVEGCSA-N 1 2 262.357 1.465 10 30 CDEELO CCC[N@H+](CC#Cc1ccccc1)CC(=O)N(C)C ZINC000191956337 378159231 /nfs/dbraw/zinc/15/92/31/378159231.db2.gz MVNYGWRDVIOCNW-UHFFFAOYSA-N 1 2 258.365 1.838 10 30 CDEELO CCC[N@@H+](CC#Cc1ccccc1)CC(=O)N(C)C ZINC000191956337 378159236 /nfs/dbraw/zinc/15/92/36/378159236.db2.gz MVNYGWRDVIOCNW-UHFFFAOYSA-N 1 2 258.365 1.838 10 30 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959934272 /nfs/dbraw/zinc/93/42/72/959934272.db2.gz NKBINFJZISYSHR-SWLSCSKDSA-N 1 2 282.347 1.408 10 30 CDEELO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001369965530 959934283 /nfs/dbraw/zinc/93/42/83/959934283.db2.gz NKBINFJZISYSHR-SWLSCSKDSA-N 1 2 282.347 1.408 10 30 CDEELO C#CCN(CC1CC1)C(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001545860539 959968509 /nfs/dbraw/zinc/96/85/09/959968509.db2.gz VFEBIYRIJZLWEO-HZPDHXFCSA-N 1 2 292.423 1.748 10 30 CDEELO C#CCN(CC1CC1)C(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001545860539 959968513 /nfs/dbraw/zinc/96/85/13/959968513.db2.gz VFEBIYRIJZLWEO-HZPDHXFCSA-N 1 2 292.423 1.748 10 30 CDEELO C=C(C)CCC(=O)N[C@H](C[NH2+]Cc1cnsn1)C1CC1 ZINC001323005052 960403274 /nfs/dbraw/zinc/40/32/74/960403274.db2.gz IDXYHUUGLVAIKD-CYBMUJFWSA-N 1 2 294.424 1.879 10 30 CDEELO Cc1onc(CC(=O)NCc2[nH]c3c([nH+]2)CCCC3)c1C#N ZINC001434385006 961264738 /nfs/dbraw/zinc/26/47/38/961264738.db2.gz DKFMGHYXZMQXGK-UHFFFAOYSA-N 1 2 299.334 1.316 10 30 CDEELO C[C@@H](CC[NH+]1CC(O)(CC#N)C1)OCc1ccccc1 ZINC001434466376 961455422 /nfs/dbraw/zinc/45/54/22/961455422.db2.gz RSTDRUZHUHWBMK-AWEZNQCLSA-N 1 2 274.364 1.942 10 30 CDEELO N#CC1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC001435637838 962079116 /nfs/dbraw/zinc/07/91/16/962079116.db2.gz OCPSEQSYYNNTEK-UHFFFAOYSA-N 1 2 297.274 1.566 10 30 CDEELO Cc1nc(C)c(C[N@H+]2CC[C@H]2CNC(=O)[C@@H](C)C#N)o1 ZINC001420816352 963266739 /nfs/dbraw/zinc/26/67/39/963266739.db2.gz HOGSIRVPHDCWCK-CABZTGNLSA-N 1 2 276.340 1.142 10 30 CDEELO Cc1nc(C)c(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H](C)C#N)o1 ZINC001420816352 963266751 /nfs/dbraw/zinc/26/67/51/963266751.db2.gz HOGSIRVPHDCWCK-CABZTGNLSA-N 1 2 276.340 1.142 10 30 CDEELO C=CC[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)c1ccncc1 ZINC001341601862 963480495 /nfs/dbraw/zinc/48/04/95/963480495.db2.gz XTFXPBKRLYRQNI-GHMZBOCLSA-N 1 2 269.295 1.798 10 30 CDEELO C#CCN(CC#C)c1nnc([C@@H]2CCC[N@H+]2C)n1CC(=C)C ZINC001343545940 964034482 /nfs/dbraw/zinc/03/44/82/964034482.db2.gz 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C=CCCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C(C)C ZINC001733208008 1183335274 /nfs/dbraw/zinc/33/52/74/1183335274.db2.gz SKLSDVLCPYXHMZ-CYBMUJFWSA-N 1 2 281.400 1.010 10 30 CDEELO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001733221225 1183349478 /nfs/dbraw/zinc/34/94/78/1183349478.db2.gz AMTVFPMVWAMRDC-WBVHZDCISA-N 1 2 298.386 1.167 10 30 CDEELO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001733221225 1183349484 /nfs/dbraw/zinc/34/94/84/1183349484.db2.gz AMTVFPMVWAMRDC-WBVHZDCISA-N 1 2 298.386 1.167 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)C2(F)CCCCC2)C1 ZINC001733507139 1183452892 /nfs/dbraw/zinc/45/28/92/1183452892.db2.gz HDNLTDXHRGRGMT-UHFFFAOYSA-N 1 2 284.375 1.398 10 30 CDEELO C=CCCC(=O)NCC1([NH2+]Cc2nc(C)no2)CCC1 ZINC001733714121 1183504952 /nfs/dbraw/zinc/50/49/52/1183504952.db2.gz SNVQKHCDXPDJOT-UHFFFAOYSA-N 1 2 278.356 1.473 10 30 CDEELO C=CCCC(=O)NC[C@H](C)[N@H+](C)Cc1ccn(C)n1 ZINC001734030821 1183623681 /nfs/dbraw/zinc/62/36/81/1183623681.db2.gz 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C[NH+](C)[C@H](C(=O)OCc1ncc(C#N)cn1)c1ccccc1 ZINC000842088638 739470338 /nfs/dbraw/zinc/47/03/38/739470338.db2.gz DWQMFYOWNOCWPD-HNNXBMFYSA-N 1 2 296.330 1.694 10 30 CDEELO CC(C)C#CC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927764488 739535492 /nfs/dbraw/zinc/53/54/92/739535492.db2.gz DPBHCIHOSKQRNF-UHFFFAOYSA-N 1 2 265.382 1.480 10 30 CDEELO Cc1nccc(CO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000794716585 739723894 /nfs/dbraw/zinc/72/38/94/739723894.db2.gz VKWHQOJBZVLGSQ-UHFFFAOYSA-N 1 2 260.272 1.761 10 30 CDEELO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866268225 740346523 /nfs/dbraw/zinc/34/65/23/740346523.db2.gz PHXMFODXEFCAEM-XHDPSFHLSA-N 1 2 278.352 1.702 10 30 CDEELO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866371384 740606330 /nfs/dbraw/zinc/60/63/30/740606330.db2.gz KUPRJGYXFOWLRL-NXEZZACHSA-N 1 2 261.325 1.439 10 30 CDEELO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982932 740760984 /nfs/dbraw/zinc/76/09/84/740760984.db2.gz SSOAGOXMDOJJQU-FZMZJTMJSA-N 1 2 263.341 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C=C[C@H](COC)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001119312368 937708584 /nfs/dbraw/zinc/70/85/84/937708584.db2.gz GLDCUMZBSLKZBH-CHWSQXEVSA-N 1 2 265.357 1.788 10 30 CDEELO C=C(C)CN(CC)c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1C ZINC001121372466 937868933 /nfs/dbraw/zinc/86/89/33/937868933.db2.gz NNRPVHDSCQOQKN-WFASDCNBSA-N 1 2 293.415 1.129 10 30 CDEELO C=C(C)CN(CC)c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1C ZINC001121372466 937868934 /nfs/dbraw/zinc/86/89/34/937868934.db2.gz NNRPVHDSCQOQKN-WFASDCNBSA-N 1 2 293.415 1.129 10 30 CDEELO C#C[C@@H]([NH2+]Cc1nn(C)cc1Cl)C1CCOCC1 ZINC001206727722 940082822 /nfs/dbraw/zinc/08/28/22/940082822.db2.gz LAJOAKVBGKUITA-GFCCVEGCSA-N 1 2 267.760 1.592 10 30 CDEELO C=CCOCC(=O)NC[C@H]1CC[N@H+]1Cc1scnc1C ZINC001276810412 941411227 /nfs/dbraw/zinc/41/12/27/941411227.db2.gz QBWWYGMHQCXBFE-GFCCVEGCSA-N 1 2 295.408 1.345 10 30 CDEELO C=CCOCC(=O)NC[C@H]1CC[N@@H+]1Cc1scnc1C ZINC001276810412 941411229 /nfs/dbraw/zinc/41/12/29/941411229.db2.gz QBWWYGMHQCXBFE-GFCCVEGCSA-N 1 2 295.408 1.345 10 30 CDEELO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@H+]2[C@H](C)C(=O)N(C)C)C1 ZINC001276924594 941702035 /nfs/dbraw/zinc/70/20/35/941702035.db2.gz XOEVWYHGPFONPT-OLZOCXBDSA-N 1 2 293.411 1.010 10 30 CDEELO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](C)C(=O)N(C)C)C1 ZINC001276924594 941702037 /nfs/dbraw/zinc/70/20/37/941702037.db2.gz XOEVWYHGPFONPT-OLZOCXBDSA-N 1 2 293.411 1.010 10 30 CDEELO C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1)c1nccs1 ZINC001524729884 970889414 /nfs/dbraw/zinc/88/94/14/970889414.db2.gz DFELDUOJTUHWTJ-NSHDSACASA-N 1 2 274.349 1.957 10 30 CDEELO Cc1nc(C[N@H+]2CC=C(CNC(=O)[C@@H](C)C#N)CC2)co1 ZINC001279519337 942392407 /nfs/dbraw/zinc/39/24/07/942392407.db2.gz DYNQFDIUFCDYLM-NSHDSACASA-N 1 2 288.351 1.391 10 30 CDEELO Cc1nc(C[N@@H+]2CC=C(CNC(=O)[C@@H](C)C#N)CC2)co1 ZINC001279519337 942392412 /nfs/dbraw/zinc/39/24/12/942392412.db2.gz DYNQFDIUFCDYLM-NSHDSACASA-N 1 2 288.351 1.391 10 30 CDEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CSCCC)O2 ZINC001280918243 942505704 /nfs/dbraw/zinc/50/57/04/942505704.db2.gz FGBVFBUMHWHSSV-CYBMUJFWSA-N 1 2 298.452 1.665 10 30 CDEELO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](CC)C(N)=O ZINC001277425651 942542537 /nfs/dbraw/zinc/54/25/37/942542537.db2.gz JVKVDTAPMXQYTA-MJBXVCDLSA-N 1 2 293.411 1.282 10 30 CDEELO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](CC)C(N)=O ZINC001277425651 942542541 /nfs/dbraw/zinc/54/25/41/942542541.db2.gz JVKVDTAPMXQYTA-MJBXVCDLSA-N 1 2 293.411 1.282 10 30 CDEELO C#CC[NH2+]CC(C)(C)CN(C)C(=O)C(F)C(F)(F)F ZINC001282295470 942686363 /nfs/dbraw/zinc/68/63/63/942686363.db2.gz YAKIOTIHZPTYPV-SECBINFHSA-N 1 2 282.281 1.594 10 30 CDEELO C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001282295470 942686364 /nfs/dbraw/zinc/68/63/64/942686364.db2.gz YAKIOTIHZPTYPV-SECBINFHSA-N 1 2 282.281 1.594 10 30 CDEELO Cc1conc1C[N@@H+](C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001282384298 942700641 /nfs/dbraw/zinc/70/06/41/942700641.db2.gz JIBPPAMNHABOHM-CYBMUJFWSA-N 1 2 291.395 1.969 10 30 CDEELO Cc1conc1C[N@H+](C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001282384298 942700644 /nfs/dbraw/zinc/70/06/44/942700644.db2.gz JIBPPAMNHABOHM-CYBMUJFWSA-N 1 2 291.395 1.969 10 30 CDEELO C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)N(C)CC#N ZINC001282414964 942708494 /nfs/dbraw/zinc/70/84/94/942708494.db2.gz ZRXBRCSDAURLFL-JTQLQIEISA-N 1 2 271.324 1.137 10 30 CDEELO CC(C)C[C@H](C(=O)N(C)C[C@@H](C)NCC#N)n1cc[nH+]c1 ZINC001277853051 943822860 /nfs/dbraw/zinc/82/28/60/943822860.db2.gz BHBPGTTVFYPFSC-ZIAGYGMSSA-N 1 2 291.399 1.430 10 30 CDEELO CCc1nnc([C@@H](C)[N@H+](C)CCCNC(=O)[C@H](C)C#N)o1 ZINC001264971560 944187120 /nfs/dbraw/zinc/18/71/20/944187120.db2.gz WVMOXXQEBKAZJI-GHMZBOCLSA-N 1 2 293.371 1.291 10 30 CDEELO CCc1nnc([C@@H](C)[N@@H+](C)CCCNC(=O)[C@H](C)C#N)o1 ZINC001264971560 944187122 /nfs/dbraw/zinc/18/71/22/944187122.db2.gz WVMOXXQEBKAZJI-GHMZBOCLSA-N 1 2 293.371 1.291 10 30 CDEELO C=CCCC(=O)NC[C@@H](C)[NH2+]Cc1nn(C)cc1Cl ZINC001265759008 944495129 /nfs/dbraw/zinc/49/51/29/944495129.db2.gz NOXHNYXKXMJCKA-SNVBAGLBSA-N 1 2 284.791 1.634 10 30 CDEELO CC(C)C[C@@H](C(=O)NC/C=C/CNCC#N)n1cc[nH+]c1 ZINC001568866677 1169524704 /nfs/dbraw/zinc/52/47/04/1169524704.db2.gz GZRBITRNNVDACZ-XGACYXMMSA-N 1 2 289.383 1.256 10 30 CDEELO C=C[C@H](CO)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001477672526 971192846 /nfs/dbraw/zinc/19/28/46/971192846.db2.gz FUKJSKUOKSHNKG-CYBMUJFWSA-N 1 2 286.335 1.218 10 30 CDEELO N#Cc1c(F)cccc1C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362618991 971462752 /nfs/dbraw/zinc/46/27/52/971462752.db2.gz KUMFNYQEEUGZKP-QWRGUYRKSA-N 1 2 291.301 1.566 10 30 CDEELO N#Cc1c(F)cccc1C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362618991 971462755 /nfs/dbraw/zinc/46/27/55/971462755.db2.gz KUMFNYQEEUGZKP-QWRGUYRKSA-N 1 2 291.301 1.566 10 30 CDEELO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC001493087602 971945409 /nfs/dbraw/zinc/94/54/09/971945409.db2.gz XSXWNFRZDSBELU-ZDUSSCGKSA-N 1 2 263.341 1.721 10 30 CDEELO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC001493087602 971945414 /nfs/dbraw/zinc/94/54/14/971945414.db2.gz XSXWNFRZDSBELU-ZDUSSCGKSA-N 1 2 263.341 1.721 10 30 CDEELO C=CCCC(=O)NCC1(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001285909716 953667076 /nfs/dbraw/zinc/66/70/76/953667076.db2.gz CUBVEIFRFPRFIK-UHFFFAOYSA-N 1 2 290.367 1.004 10 30 CDEELO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](C)SC ZINC001326612270 954454659 /nfs/dbraw/zinc/45/46/59/954454659.db2.gz OUENVKWCJYMOAV-NWDGAFQWSA-N 1 2 272.414 1.131 10 30 CDEELO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](C)SC ZINC001326612270 954454665 /nfs/dbraw/zinc/45/46/65/954454665.db2.gz OUENVKWCJYMOAV-NWDGAFQWSA-N 1 2 272.414 1.131 10 30 CDEELO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1 ZINC001326610209 954453006 /nfs/dbraw/zinc/45/30/06/954453006.db2.gz CYMMIROWVOZVRZ-AWEZNQCLSA-N 1 2 278.352 1.676 10 30 CDEELO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1 ZINC001326610209 954453012 /nfs/dbraw/zinc/45/30/12/954453012.db2.gz CYMMIROWVOZVRZ-AWEZNQCLSA-N 1 2 278.352 1.676 10 30 CDEELO C#CCCCC(=O)NC[C@H]1COCC[N@H+]1CC/C=C\CC ZINC001326627234 954462931 /nfs/dbraw/zinc/46/29/31/954462931.db2.gz LXUQLHVWQLRDIL-WRLNGNIRSA-N 1 2 292.423 1.963 10 30 CDEELO C#CCCCC(=O)NC[C@H]1COCC[N@@H+]1CC/C=C\CC ZINC001326627234 954462938 /nfs/dbraw/zinc/46/29/38/954462938.db2.gz LXUQLHVWQLRDIL-WRLNGNIRSA-N 1 2 292.423 1.963 10 30 CDEELO C=C[C@](C)(CC)C(=O)NC[C@H](C)[NH2+]Cc1nncs1 ZINC001491577162 955294933 /nfs/dbraw/zinc/29/49/33/955294933.db2.gz AEKZUVOXGGJCTK-GXFFZTMASA-N 1 2 282.413 1.735 10 30 CDEELO C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2nc(C)no2)C1 ZINC001329124246 955701032 /nfs/dbraw/zinc/70/10/32/955701032.db2.gz DPZXUXYLUGSZKL-MNOVXSKESA-N 1 2 292.383 1.717 10 30 CDEELO C=CC[N@@H+](C)CCNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC001492348821 955823637 /nfs/dbraw/zinc/82/36/37/955823637.db2.gz SOIPCNWQJRQCRY-FZMZJTMJSA-N 1 2 276.384 1.310 10 30 CDEELO C=CC[N@H+](C)CCNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC001492348821 955823651 /nfs/dbraw/zinc/82/36/51/955823651.db2.gz SOIPCNWQJRQCRY-FZMZJTMJSA-N 1 2 276.384 1.310 10 30 CDEELO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc[n+]([O-])cc1 ZINC001329377614 955859946 /nfs/dbraw/zinc/85/99/46/955859946.db2.gz YLKQGZBAVDBIHB-LLVKDONJSA-N 1 2 283.759 1.123 10 30 CDEELO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc[n+]([O-])cc1 ZINC001329377614 955859955 /nfs/dbraw/zinc/85/99/55/955859955.db2.gz YLKQGZBAVDBIHB-LLVKDONJSA-N 1 2 283.759 1.123 10 30 CDEELO C=CCOCC[N@@H+](C)[C@H](C)CNC(=O)c1[nH]nc(C)c1C ZINC001329413193 955899853 /nfs/dbraw/zinc/89/98/53/955899853.db2.gz UMCKWNOQWNULQH-LLVKDONJSA-N 1 2 294.399 1.279 10 30 CDEELO C=CCOCC[N@H+](C)[C@H](C)CNC(=O)c1[nH]nc(C)c1C ZINC001329413193 955899870 /nfs/dbraw/zinc/89/98/70/955899870.db2.gz UMCKWNOQWNULQH-LLVKDONJSA-N 1 2 294.399 1.279 10 30 CDEELO C[C@H](c1ncccn1)[N@@H+](C)[C@@H](C)CNC(=O)C#CC1CC1 ZINC001329433220 955914864 /nfs/dbraw/zinc/91/48/64/955914864.db2.gz WKNVPTRBJIBKHH-QWHCGFSZSA-N 1 2 286.379 1.388 10 30 CDEELO C[C@H](c1ncccn1)[N@H+](C)[C@@H](C)CNC(=O)C#CC1CC1 ZINC001329433220 955914872 /nfs/dbraw/zinc/91/48/72/955914872.db2.gz WKNVPTRBJIBKHH-QWHCGFSZSA-N 1 2 286.379 1.388 10 30 CDEELO C[C@@H](C[NH2+]Cc1nc(C(C)(C)C)no1)NC(=O)[C@@H](C)C#N ZINC001422633627 956217109 /nfs/dbraw/zinc/21/71/09/956217109.db2.gz SPIMYWXXPVRYBI-UWVGGRQHSA-N 1 2 293.371 1.121 10 30 CDEELO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccon1 ZINC001366202858 956635979 /nfs/dbraw/zinc/63/59/79/956635979.db2.gz ONKNYDGQQWKCGV-CYBMUJFWSA-N 1 2 297.786 1.940 10 30 CDEELO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ccon1 ZINC001366202858 956635991 /nfs/dbraw/zinc/63/59/91/956635991.db2.gz ONKNYDGQQWKCGV-CYBMUJFWSA-N 1 2 297.786 1.940 10 30 CDEELO Cc1conc1C[NH2+]C1(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001423207560 956668155 /nfs/dbraw/zinc/66/81/55/956668155.db2.gz YZMNRSIUBDGDRD-UHFFFAOYSA-N 1 2 299.334 1.235 10 30 CDEELO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC001366653922 957087646 /nfs/dbraw/zinc/08/76/46/957087646.db2.gz KNWBSBYWQWFSMQ-GHMZBOCLSA-N 1 2 278.381 1.383 10 30 CDEELO 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1 2 270.270 1.901 10 30 CDEELO Cn1c[nH+]cc1CNC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001587694641 1172994215 /nfs/dbraw/zinc/99/42/15/1172994215.db2.gz XMMHTEHYQGCCLC-DAXSKMNVSA-N 1 2 287.294 1.458 10 30 CDEELO C[C@@H](C[NH2+][C@@H](C)c1csnn1)NC(=O)C#CC(C)(C)C ZINC001669553597 1173569832 /nfs/dbraw/zinc/56/98/32/1173569832.db2.gz AEGZZBBYEQHHTJ-QWRGUYRKSA-N 1 2 294.424 1.743 10 30 CDEELO C=C[C@@](C)(CCOC)C(=O)N[C@H]1COC2(C[NH+](CC)C2)C1 ZINC001673566482 1173870369 /nfs/dbraw/zinc/87/03/69/1173870369.db2.gz SKDNPBJMLHWNRT-HIFRSBDPSA-N 1 2 296.411 1.195 10 30 CDEELO C[C@@H](C#N)C(=O)NC1(CCO)C[NH+](CC2=CCCCC2)C1 ZINC001675067884 1174073346 /nfs/dbraw/zinc/07/33/46/1174073346.db2.gz UYHXDRBVVCDQHH-ZDUSSCGKSA-N 1 2 291.395 1.199 10 30 CDEELO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)CC)C1 ZINC001690099054 1175374704 /nfs/dbraw/zinc/37/47/04/1175374704.db2.gz FILVDSSMOOFUMV-QWHCGFSZSA-N 1 2 295.427 1.304 10 30 CDEELO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)CC)C1 ZINC001690099054 1175374711 /nfs/dbraw/zinc/37/47/11/1175374711.db2.gz FILVDSSMOOFUMV-QWHCGFSZSA-N 1 2 295.427 1.304 10 30 CDEELO C=CCCCC(=O)NC[C@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC001690618182 1175525396 /nfs/dbraw/zinc/52/53/96/1175525396.db2.gz VEFNSKMCLVLUKP-WDEREUQCSA-N 1 2 280.372 1.890 10 30 CDEELO C=C(C)C[NH+]1CC(NC(=O)[C@@H](OCC)C2CC2)C1 ZINC001692195183 1175698453 /nfs/dbraw/zinc/69/84/53/1175698453.db2.gz AVBJZGKZFRZSPS-ZDUSSCGKSA-N 1 2 252.358 1.178 10 30 CDEELO C=CCC(C)(C)C(=O)NC1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001692238406 1175712159 /nfs/dbraw/zinc/71/21/59/1175712159.db2.gz FWGVAMNGBPLRDL-GXTWGEPZSA-N 1 2 280.412 1.957 10 30 CDEELO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CC[C@H]2CCCO2)C1 ZINC001698780316 1175930652 /nfs/dbraw/zinc/93/06/52/1175930652.db2.gz IEUTUCBIAVRNDI-HUUCEWRRSA-N 1 2 296.411 1.339 10 30 CDEELO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)CC[C@H]2CCCO2)C1 ZINC001698780316 1175930657 /nfs/dbraw/zinc/93/06/57/1175930657.db2.gz IEUTUCBIAVRNDI-HUUCEWRRSA-N 1 2 296.411 1.339 10 30 CDEELO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001699624953 1176519720 /nfs/dbraw/zinc/51/97/20/1176519720.db2.gz KRUSDHTZCLGFNU-IJEWVQPXSA-N 1 2 276.380 1.017 10 30 CDEELO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001699624953 1176519726 /nfs/dbraw/zinc/51/97/26/1176519726.db2.gz KRUSDHTZCLGFNU-IJEWVQPXSA-N 1 2 276.380 1.017 10 30 CDEELO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001699713160 1176579649 /nfs/dbraw/zinc/57/96/49/1176579649.db2.gz JXEKHPPZKGTTCS-HIFRSBDPSA-N 1 2 296.411 1.147 10 30 CDEELO CCC[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001699806846 1176628649 /nfs/dbraw/zinc/62/86/49/1176628649.db2.gz UQJKUSHYCULWMQ-CABCVRRESA-N 1 2 292.427 1.165 10 30 CDEELO C=CCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001700112342 1176751210 /nfs/dbraw/zinc/75/12/10/1176751210.db2.gz AGMWFKQGLZLAHN-CABCVRRESA-N 1 2 293.411 1.709 10 30 CDEELO C=CCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001700112342 1176751216 /nfs/dbraw/zinc/75/12/16/1176751216.db2.gz AGMWFKQGLZLAHN-CABCVRRESA-N 1 2 293.411 1.709 10 30 CDEELO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](C)OCC ZINC001700111173 1176752137 /nfs/dbraw/zinc/75/21/37/1176752137.db2.gz KJOOJHOKDQFTBP-UONOGXRCSA-N 1 2 284.400 1.195 10 30 CDEELO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](C)OCC ZINC001700111173 1176752141 /nfs/dbraw/zinc/75/21/41/1176752141.db2.gz KJOOJHOKDQFTBP-UONOGXRCSA-N 1 2 284.400 1.195 10 30 CDEELO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C=C(C)C)O2 ZINC001700207847 1176799635 /nfs/dbraw/zinc/79/96/35/1176799635.db2.gz YMHBJSJBUXOFTQ-ZDUSSCGKSA-N 1 2 264.369 1.488 10 30 CDEELO C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H](F)C(F)(F)F)C(C)C ZINC001700501014 1176984970 /nfs/dbraw/zinc/98/49/70/1176984970.db2.gz WSTJBEDKQRYDEL-GHMZBOCLSA-N 1 2 296.308 1.983 10 30 CDEELO C#CC[NH2+][C@H](CCN(C)C(=O)C(F)C(F)(F)F)C(C)C ZINC001700501014 1176984967 /nfs/dbraw/zinc/98/49/67/1176984967.db2.gz WSTJBEDKQRYDEL-GHMZBOCLSA-N 1 2 296.308 1.983 10 30 CDEELO C=CCCC(=O)NC[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001704753865 1177768661 /nfs/dbraw/zinc/76/86/61/1177768661.db2.gz UXHZJROFNGLMIU-CYBMUJFWSA-N 1 2 290.367 1.026 10 30 CDEELO C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CCNCC#N ZINC001707146581 1177958155 /nfs/dbraw/zinc/95/81/55/1177958155.db2.gz VKSYMMXHNLGLRD-GXTWGEPZSA-N 1 2 289.383 1.083 10 30 CDEELO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1nccnc1C ZINC001723432141 1178125254 /nfs/dbraw/zinc/12/52/54/1178125254.db2.gz HSTGOCMHERLCAG-CQSZACIVSA-N 1 2 288.395 1.832 10 30 CDEELO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1nccnc1C ZINC001723432141 1178125258 /nfs/dbraw/zinc/12/52/58/1178125258.db2.gz HSTGOCMHERLCAG-CQSZACIVSA-N 1 2 288.395 1.832 10 30 CDEELO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001713085437 1178358276 /nfs/dbraw/zinc/35/82/76/1178358276.db2.gz OHACECIVMYKJPD-AWEZNQCLSA-N 1 2 288.395 1.304 10 30 CDEELO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001713085437 1178358281 /nfs/dbraw/zinc/35/82/81/1178358281.db2.gz OHACECIVMYKJPD-AWEZNQCLSA-N 1 2 288.395 1.304 10 30 CDEELO C=C(C)C(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001713329196 1178500306 /nfs/dbraw/zinc/50/03/06/1178500306.db2.gz YDRIADWGNJGUMY-JTQLQIEISA-N 1 2 266.345 1.266 10 30 CDEELO N#CCN1CCC[C@@H]1CCCNC(=O)CCn1cc[nH+]c1 ZINC001713433749 1178558924 /nfs/dbraw/zinc/55/89/24/1178558924.db2.gz GIGXMIZAHZFXRK-AWEZNQCLSA-N 1 2 289.383 1.158 10 30 CDEELO C=C(C)C[N@@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001713453832 1178573028 /nfs/dbraw/zinc/57/30/28/1178573028.db2.gz RCJFMAMBEPULFG-MRVPVSSYSA-N 1 2 256.243 1.511 10 30 CDEELO C=C(C)C[N@H+](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001713453832 1178573030 /nfs/dbraw/zinc/57/30/30/1178573030.db2.gz RCJFMAMBEPULFG-MRVPVSSYSA-N 1 2 256.243 1.511 10 30 CDEELO C=C(C)C[N@@H+](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001713453832 1178573034 /nfs/dbraw/zinc/57/30/34/1178573034.db2.gz RCJFMAMBEPULFG-MRVPVSSYSA-N 1 2 256.243 1.511 10 30 CDEELO C=C(C)C[N@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001713453832 1178573025 /nfs/dbraw/zinc/57/30/25/1178573025.db2.gz RCJFMAMBEPULFG-MRVPVSSYSA-N 1 2 256.243 1.511 10 30 CDEELO CCC[N@H+](CCNC(=O)C#CC1CC1)Cc1ncc(C)o1 ZINC001713546736 1178638141 /nfs/dbraw/zinc/63/81/41/1178638141.db2.gz XFCSDWSMHCFOJY-UHFFFAOYSA-N 1 2 289.379 1.725 10 30 CDEELO CCC[N@@H+](CCNC(=O)C#CC1CC1)Cc1ncc(C)o1 ZINC001713546736 1178638144 /nfs/dbraw/zinc/63/81/44/1178638144.db2.gz XFCSDWSMHCFOJY-UHFFFAOYSA-N 1 2 289.379 1.725 10 30 CDEELO C=CC[N@H+](CCNC(=O)c1cccc2nc[nH]c21)C1CC1 ZINC001713564258 1178649124 /nfs/dbraw/zinc/64/91/24/1178649124.db2.gz QLFZEZSUDUYWRC-UHFFFAOYSA-N 1 2 284.363 1.943 10 30 CDEELO C=CC[N@@H+](CCNC(=O)c1cccc2nc[nH]c21)C1CC1 ZINC001713564258 1178649133 /nfs/dbraw/zinc/64/91/33/1178649133.db2.gz QLFZEZSUDUYWRC-UHFFFAOYSA-N 1 2 284.363 1.943 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)CCOc2ccccc2)C1 ZINC001713856268 1178794456 /nfs/dbraw/zinc/79/44/56/1178794456.db2.gz VCFKWESYCVJTMD-UHFFFAOYSA-N 1 2 272.348 1.279 10 30 CDEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)C=C2CCC2)C1 ZINC001715279517 1179608151 /nfs/dbraw/zinc/60/81/51/1179608151.db2.gz IOFMNNPGJMBRLV-CYBMUJFWSA-N 1 2 250.342 1.100 10 30 CDEELO C=CC[N@H+]1CCO[C@H](CNC(=O)C=C2CCC2)C1 ZINC001715279517 1179608155 /nfs/dbraw/zinc/60/81/55/1179608155.db2.gz IOFMNNPGJMBRLV-CYBMUJFWSA-N 1 2 250.342 1.100 10 30 CDEELO CC#CC[NH2+]C[C@@H](C)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001715945312 1179933858 /nfs/dbraw/zinc/93/38/58/1179933858.db2.gz OISIFGAELFUSPD-GFCCVEGCSA-N 1 2 297.362 1.203 10 30 CDEELO C=CCCC(=O)NC/C=C/C[NH2+]Cc1nonc1C ZINC001716273830 1180135483 /nfs/dbraw/zinc/13/54/83/1180135483.db2.gz VZCDDMKQAIMECL-AATRIKPKSA-N 1 2 264.329 1.106 10 30 CDEELO CC(C)(C)C#CC(=O)NCC1([NH2+]Cc2nncs2)CC1 ZINC001716681181 1180366846 /nfs/dbraw/zinc/36/68/46/1180366846.db2.gz KPFSTESOOKUOFP-UHFFFAOYSA-N 1 2 292.408 1.326 10 30 CDEELO C=CCCCC(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001716783616 1180413838 /nfs/dbraw/zinc/41/38/38/1180413838.db2.gz RZZKCZWDFAJUAC-ZDUSSCGKSA-N 1 2 292.383 1.815 10 30 CDEELO C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1Cc1ccon1 ZINC001717331024 1180618485 /nfs/dbraw/zinc/61/84/85/1180618485.db2.gz CZEGKDASRCVHCP-JSGCOSHPSA-N 1 2 287.363 1.557 10 30 CDEELO C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1ccon1 ZINC001717331024 1180618489 /nfs/dbraw/zinc/61/84/89/1180618489.db2.gz CZEGKDASRCVHCP-JSGCOSHPSA-N 1 2 287.363 1.557 10 30 CDEELO C=CC[N@@H+]1C[C@H](NC(=O)C(F)C(F)(F)F)C(C)(C)C1 ZINC001717581445 1180748536 /nfs/dbraw/zinc/74/85/36/1180748536.db2.gz OUMNQCMSUIXZGV-DTWKUNHWSA-N 1 2 282.281 1.899 10 30 CDEELO C=CC[N@H+]1C[C@H](NC(=O)C(F)C(F)(F)F)C(C)(C)C1 ZINC001717581445 1180748539 /nfs/dbraw/zinc/74/85/39/1180748539.db2.gz OUMNQCMSUIXZGV-DTWKUNHWSA-N 1 2 282.281 1.899 10 30 CDEELO C[C@H](CC(=O)N[C@@H](C)CCCNCC#N)n1cc[nH+]c1 ZINC001717686439 1180791336 /nfs/dbraw/zinc/79/13/36/1180791336.db2.gz CIPZHNWEHLHXNI-QWHCGFSZSA-N 1 2 277.372 1.232 10 30 CDEELO C=C[C@H](CC(=O)N(C)C1C[NH+](CCO)C1)c1ccccc1 ZINC001723821209 1181607650 /nfs/dbraw/zinc/60/76/50/1181607650.db2.gz ZJEQFTVVOIMVEM-CQSZACIVSA-N 1 2 288.391 1.481 10 30 CDEELO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)F ZINC001724762181 1181742707 /nfs/dbraw/zinc/74/27/07/1181742707.db2.gz MRKDFBQPQNTEJT-LLVKDONJSA-N 1 2 258.337 1.128 10 30 CDEELO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)F ZINC001724762181 1181742711 /nfs/dbraw/zinc/74/27/11/1181742711.db2.gz MRKDFBQPQNTEJT-LLVKDONJSA-N 1 2 258.337 1.128 10 30 CDEELO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1nnc(CC)o1 ZINC001731611274 1182478014 /nfs/dbraw/zinc/47/80/14/1182478014.db2.gz MWOOFDFJJYFDNA-LLVKDONJSA-N 1 2 294.399 1.829 10 30 CDEELO C=CCCC(=O)NCC[N@@H+](CC)Cc1snnc1C ZINC001731799259 1182589614 /nfs/dbraw/zinc/58/96/14/1182589614.db2.gz GDEICTRGJGGFQF-UHFFFAOYSA-N 1 2 282.413 1.751 10 30 CDEELO C=CCCC(=O)NCC[N@H+](CC)Cc1snnc1C ZINC001731799259 1182589617 /nfs/dbraw/zinc/58/96/17/1182589617.db2.gz GDEICTRGJGGFQF-UHFFFAOYSA-N 1 2 282.413 1.751 10 30 CDEELO C=C(C)C(C)(C)C(=O)NC[C@H](CC)[NH2+]Cc1nc(C)no1 ZINC001732203205 1182854587 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C#Cc1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000897730276 621106534 /nfs/dbraw/zinc/10/65/34/621106534.db2.gz KRAJUKBWHWTIKI-CQSZACIVSA-N 1 2 265.316 1.609 10 30 CDEELO CC(=O)c1cn(C2C[NH+](C[C@@H](C)CCC#N)C2)nn1 ZINC000897940404 621237468 /nfs/dbraw/zinc/23/74/68/621237468.db2.gz KVFLTAQRGYPEAE-JTQLQIEISA-N 1 2 261.329 1.277 10 30 CDEELO C=CC(C)(C)CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898896447 621941291 /nfs/dbraw/zinc/94/12/91/621941291.db2.gz PPRLSCJXDYYWLU-SNVBAGLBSA-N 1 2 251.330 1.172 10 30 CDEELO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@H](C)C(C)(C)C)no1 ZINC000904093835 626194441 /nfs/dbraw/zinc/19/44/41/626194441.db2.gz DKKNHXVCQDQDCE-UWVGGRQHSA-N 1 2 281.356 1.818 10 30 CDEELO C=CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)C(=O)OC ZINC000905753609 626963147 /nfs/dbraw/zinc/96/31/47/626963147.db2.gz BLXSZCQJWFFSDV-UWVGGRQHSA-N 1 2 280.290 1.330 10 30 CDEELO C=CC[C@H]([NH2+]CCSCC(F)(F)F)C(=O)OC ZINC000905760793 626966485 /nfs/dbraw/zinc/96/64/85/626966485.db2.gz CXKWFYMRSDMPJZ-QMMMGPOBSA-N 1 2 271.304 1.989 10 30 CDEELO C=CC[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)C(=O)OC ZINC000905836802 626989378 /nfs/dbraw/zinc/98/93/78/626989378.db2.gz XSWAJITZHJZGHD-RYUDHWBXSA-N 1 2 255.358 1.899 10 30 CDEELO N#CCCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000907804410 627830234 /nfs/dbraw/zinc/83/02/34/627830234.db2.gz YGPSHVYZHFFZDI-UHFFFAOYSA-N 1 2 283.335 1.639 10 30 CDEELO C/C(=C/C(=O)NCC1(C#N)CCCC1)C[NH+]1CCOCC1 ZINC000911873519 629600845 /nfs/dbraw/zinc/60/08/45/629600845.db2.gz SYLIAEUPLFQNGT-UVTDQMKNSA-N 1 2 291.395 1.465 10 30 CDEELO CCc1nn(Cc2ccc(N)[nH+]c2)c(=O)c(C#N)c1CC ZINC000916999381 632121300 /nfs/dbraw/zinc/12/13/00/632121300.db2.gz HWYGWBCIURYZTE-UHFFFAOYSA-N 1 2 283.335 1.265 10 30 CDEELO COc1ccc(C[N@H+](C)Cc2cncc(C#N)c2)cn1 ZINC000930068966 632560659 /nfs/dbraw/zinc/56/06/59/632560659.db2.gz GDVVFWUGXOMJLB-UHFFFAOYSA-N 1 2 268.320 1.989 10 30 CDEELO COc1ccc(C[N@@H+](C)Cc2cncc(C#N)c2)cn1 ZINC000930068966 632560662 /nfs/dbraw/zinc/56/06/62/632560662.db2.gz GDVVFWUGXOMJLB-UHFFFAOYSA-N 1 2 268.320 1.989 10 30 CDEELO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001691052989 1158843797 /nfs/dbraw/zinc/84/37/97/1158843797.db2.gz HXJJTBJWFFBELH-QWHCGFSZSA-N 1 2 295.427 1.256 10 30 CDEELO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001691052989 1158843819 /nfs/dbraw/zinc/84/38/19/1158843819.db2.gz HXJJTBJWFFBELH-QWHCGFSZSA-N 1 2 295.427 1.256 10 30 CDEELO C#CCCCCC(=O)N(C)CC[NH2+]Cc1cnsn1 ZINC001691299074 1159002031 /nfs/dbraw/zinc/00/20/31/1159002031.db2.gz JKPJNFJNGNNZSZ-UHFFFAOYSA-N 1 2 280.397 1.280 10 30 CDEELO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)C(C)C ZINC001691395828 1159049439 /nfs/dbraw/zinc/04/94/39/1159049439.db2.gz PSPZOVVZOJPTGZ-QWHCGFSZSA-N 1 2 254.349 1.537 10 30 CDEELO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)C(C)C ZINC001691395828 1159049446 /nfs/dbraw/zinc/04/94/46/1159049446.db2.gz PSPZOVVZOJPTGZ-QWHCGFSZSA-N 1 2 254.349 1.537 10 30 CDEELO Cc1ccc2[nH+]cc(CN3CCN(C(=O)CC#N)CC3)n2c1 ZINC000826702967 1161939239 /nfs/dbraw/zinc/93/92/39/1161939239.db2.gz IYJLLDZQPUNVIJ-UHFFFAOYSA-N 1 2 297.362 1.201 10 30 CDEELO C=CCC[C@@H](NC(=O)CCCn1cc[nH+]c1)C(=O)OCC ZINC001640864474 1167056208 /nfs/dbraw/zinc/05/62/08/1167056208.db2.gz XLMDSXUEXOTXAK-CYBMUJFWSA-N 1 2 293.367 1.677 10 30 CDEELO C=C(CCC(=O)OC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001643075590 1167223740 /nfs/dbraw/zinc/22/37/40/1167223740.db2.gz FBIDUMBTMZRDRG-UHFFFAOYSA-N 1 2 276.336 1.824 10 30 CDEELO CON=CC(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001565582423 1168156232 /nfs/dbraw/zinc/15/62/32/1168156232.db2.gz WAEUBZRQDDLXIW-UHFFFAOYSA-N 1 2 258.281 1.751 10 30 CDEELO C#Cc1ccc(C(=O)NCC[N@@H+](CC)CC(=C)Cl)cn1 ZINC001567350332 1168695840 /nfs/dbraw/zinc/69/58/40/1168695840.db2.gz JQSMTNVTEKVCFG-UHFFFAOYSA-N 1 2 291.782 1.867 10 30 CDEELO C#Cc1ccc(C(=O)NCC[N@H+](CC)CC(=C)Cl)cn1 ZINC001567350332 1168695845 /nfs/dbraw/zinc/69/58/45/1168695845.db2.gz JQSMTNVTEKVCFG-UHFFFAOYSA-N 1 2 291.782 1.867 10 30 CDEELO C=C(C)C[NH+]1CC(NC(=O)C[C@H](C)n2ccc(C)n2)C1 ZINC001567801746 1168982912 /nfs/dbraw/zinc/98/29/12/1168982912.db2.gz SGIHXCHYNXPSMH-ZDUSSCGKSA-N 1 2 276.384 1.519 10 30 CDEELO C=CC1(CC(=O)N(C)CC[N@H+](C)CC(N)=O)CCCCC1 ZINC001568499013 1169336766 /nfs/dbraw/zinc/33/67/66/1169336766.db2.gz YTLIKZVADUQCDL-UHFFFAOYSA-N 1 2 295.427 1.389 10 30 CDEELO C=CC1(CC(=O)N(C)CC[N@@H+](C)CC(N)=O)CCCCC1 ZINC001568499013 1169336770 /nfs/dbraw/zinc/33/67/70/1169336770.db2.gz YTLIKZVADUQCDL-UHFFFAOYSA-N 1 2 295.427 1.389 10 30 CDEELO C=C(C)CCC(=O)N1C[C@H]([NH2+]Cc2nc(C)no2)C[C@H]1C ZINC001571479827 1170448264 /nfs/dbraw/zinc/44/82/64/1170448264.db2.gz XCQRXJUWOXICCG-DGCLKSJQSA-N 1 2 292.383 1.813 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)COc2cccc(Cl)c2)C1 ZINC001665227917 1172965005 /nfs/dbraw/zinc/96/50/05/1172965005.db2.gz LYIAKDYMFXKUKJ-UHFFFAOYSA-N 1 2 292.766 1.543 10 30 CDEELO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)NCCC ZINC001665374938 1172988935 /nfs/dbraw/zinc/98/89/35/1172988935.db2.gz KQWBDGYCKLPTHB-IHRRRGAJSA-N 1 2 293.411 1.152 10 30 CDEELO C=CCC(C)(C)C(=O)NC/C=C/C[NH2+]Cc1nncs1 ZINC001669062925 1173498786 /nfs/dbraw/zinc/49/87/86/1173498786.db2.gz DTFOPQXTRNLNDE-AATRIKPKSA-N 1 2 294.424 1.902 10 30 CDEELO C=C(C)C[NH+]1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC001681671031 1174591251 /nfs/dbraw/zinc/59/12/51/1174591251.db2.gz IUMHMSAOSDYHGS-UHFFFAOYSA-N 1 2 284.363 1.897 10 30 CDEELO C=CC[N@H+](C)CCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001690941605 1175622435 /nfs/dbraw/zinc/62/24/35/1175622435.db2.gz JGCRAHILSUCJTN-LLVKDONJSA-N 1 2 262.357 1.064 10 30 CDEELO C=CC[N@@H+](C)CCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001690941605 1175622438 /nfs/dbraw/zinc/62/24/38/1175622438.db2.gz JGCRAHILSUCJTN-LLVKDONJSA-N 1 2 262.357 1.064 10 30 CDEELO C=C(C)[C@@H](CC(=O)NCC1C[NH+](CCF)C1)OCC ZINC001692310589 1175733025 /nfs/dbraw/zinc/73/30/25/1175733025.db2.gz DNIRMDGRLINUTE-CYBMUJFWSA-N 1 2 272.364 1.375 10 30 CDEELO C=CCCCC(=O)NCC1([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001699661022 1176554973 /nfs/dbraw/zinc/55/49/73/1176554973.db2.gz FRNWWKSNLZYSKH-UHFFFAOYSA-N 1 2 277.372 1.208 10 30 CDEELO C=C[C@@](C)(CC)C(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001700122399 1176758056 /nfs/dbraw/zinc/75/80/56/1176758056.db2.gz ZMVKWSYLPFPSFN-OCCSQVGLSA-N 1 2 254.374 1.426 10 30 CDEELO C=C[C@@](C)(CC)C(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001700122399 1176758062 /nfs/dbraw/zinc/75/80/62/1176758062.db2.gz ZMVKWSYLPFPSFN-OCCSQVGLSA-N 1 2 254.374 1.426 10 30 CDEELO C[C@H](CC(=O)N[C@H]1CCCN(CC#N)CC1)n1cc[nH+]c1 ZINC001700180972 1176784105 /nfs/dbraw/zinc/78/41/05/1176784105.db2.gz MCXSAFNJVUVMFH-KGLIPLIRSA-N 1 2 289.383 1.328 10 30 CDEELO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CSCCC)CO2 ZINC001700209086 1176799416 /nfs/dbraw/zinc/79/94/16/1176799416.db2.gz BATLBTSVESEJFA-CYBMUJFWSA-N 1 2 298.452 1.665 10 30 CDEELO C=CCCC(=O)NC[C@H](C)[NH2+]Cc1nc(C2CC2)no1 ZINC001713300111 1178477569 /nfs/dbraw/zinc/47/75/69/1178477569.db2.gz PARMCRBCASHNLD-JTQLQIEISA-N 1 2 278.356 1.508 10 30 CDEELO C=C(C)CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC001713313471 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C[C@H](C#N)C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001732122974 1182786316 /nfs/dbraw/zinc/78/63/16/1182786316.db2.gz VAYWGMYRUYDQOJ-CQSZACIVSA-N 1 2 281.359 1.246 10 30 CDEELO C=CCC1(C(=O)NC[C@@H]2C[N@H+](CCOC)CCO2)CCC1 ZINC001732383543 1182940494 /nfs/dbraw/zinc/94/04/94/1182940494.db2.gz LVFHZCSQKIROAL-CQSZACIVSA-N 1 2 296.411 1.196 10 30 CDEELO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](CCOC)CCO2)CCC1 ZINC001732383543 1182940498 /nfs/dbraw/zinc/94/04/98/1182940498.db2.gz LVFHZCSQKIROAL-CQSZACIVSA-N 1 2 296.411 1.196 10 30 CDEELO C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001733310903 1183389586 /nfs/dbraw/zinc/38/95/86/1183389586.db2.gz DFTVUVDBAFYZBR-ZDUSSCGKSA-N 1 2 290.411 1.697 10 30 CDEELO C#CCN(C(=O)C1CC1)C1CC[NH+](Cc2ncccn2)CC1 ZINC001733362543 1183410743 /nfs/dbraw/zinc/41/07/43/1183410743.db2.gz FLUGBWORLKUXAX-UHFFFAOYSA-N 1 2 298.390 1.313 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@H]2CCC)C1 ZINC001733503032 1183451404 /nfs/dbraw/zinc/45/14/04/1183451404.db2.gz 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Cc1ccn(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(=O)c1C#N ZINC000840142406 782975981 /nfs/dbraw/zinc/97/59/81/782975981.db2.gz DZRHOULYICRIGW-MRXNPFEDSA-N 1 2 287.363 1.488 10 30 CDEELO Cc1ccn(C[N@H+]2CCC[C@@]3(CCOC3)C2)c(=O)c1C#N ZINC000840142406 782975990 /nfs/dbraw/zinc/97/59/90/782975990.db2.gz DZRHOULYICRIGW-MRXNPFEDSA-N 1 2 287.363 1.488 10 30 CDEELO C#CCCCCCC[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000876750177 1165906477 /nfs/dbraw/zinc/90/64/77/1165906477.db2.gz FKDMWEQIYYCSRR-UHFFFAOYSA-N 1 2 288.395 1.652 10 30 CDEELO C#CCCCCCC[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000876750177 1165906481 /nfs/dbraw/zinc/90/64/81/1165906481.db2.gz FKDMWEQIYYCSRR-UHFFFAOYSA-N 1 2 288.395 1.652 10 30 CDEELO C#C[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)[C@H]1CCCO1 ZINC000822072569 783057158 /nfs/dbraw/zinc/05/71/58/783057158.db2.gz JVWDQGBLZNZUCM-RRFJBIMHSA-N 1 2 289.379 1.767 10 30 CDEELO C#C[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000934510159 780275485 /nfs/dbraw/zinc/27/54/85/780275485.db2.gz UEJHJLDNVJGKJY-KGLIPLIRSA-N 1 2 294.395 1.178 10 30 CDEELO C#C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000934510159 780275493 /nfs/dbraw/zinc/27/54/93/780275493.db2.gz UEJHJLDNVJGKJY-KGLIPLIRSA-N 1 2 294.395 1.178 10 30 CDEELO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cn1 ZINC000934346158 780395536 /nfs/dbraw/zinc/39/55/36/780395536.db2.gz GYDDPHBNVFVYDJ-CQSZACIVSA-N 1 2 275.352 1.529 10 30 CDEELO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cn1 ZINC000934346158 780395548 /nfs/dbraw/zinc/39/55/48/780395548.db2.gz GYDDPHBNVFVYDJ-CQSZACIVSA-N 1 2 275.352 1.529 10 30 CDEELO Cc1cccc(-c2noc(CO[NH+]=C(N)CCO)n2)c1 ZINC000121325933 780913727 /nfs/dbraw/zinc/91/37/27/780913727.db2.gz CTYKIKCXHSJZSS-UHFFFAOYSA-N 1 2 276.296 1.216 10 30 CDEELO C=CC[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)C(=O)OC ZINC000878491148 780995595 /nfs/dbraw/zinc/99/55/95/780995595.db2.gz GQIVHCPVQGLETD-SOUVJXGZSA-N 1 2 296.411 1.337 10 30 CDEELO C=CC[C@H](N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)OC ZINC000878491148 780995597 /nfs/dbraw/zinc/99/55/97/780995597.db2.gz GQIVHCPVQGLETD-SOUVJXGZSA-N 1 2 296.411 1.337 10 30 CDEELO C#CCCN(CCOC)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000824749321 781068246 /nfs/dbraw/zinc/06/82/46/781068246.db2.gz XNKOKCMSKQGEHO-HNNXBMFYSA-N 1 2 291.395 1.969 10 30 CDEELO N#Cc1cc(C(=O)NCCCCn2cc[nH+]c2)co1 ZINC000865805185 781118615 /nfs/dbraw/zinc/11/86/15/781118615.db2.gz SZBZIEUAGHDPPV-UHFFFAOYSA-N 1 2 258.281 1.558 10 30 CDEELO O=C1C=C([NH2+]Nc2ccc(Cl)nc2)[C@H]2CCCN12 ZINC000799481119 781221699 /nfs/dbraw/zinc/22/16/99/781221699.db2.gz JQMVPHCCXCDMDS-SNVBAGLBSA-N 1 2 264.716 1.898 10 30 CDEELO C[N@H+](CC[S@](=O)C(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000931474714 781237313 /nfs/dbraw/zinc/23/73/13/781237313.db2.gz HUYQTOBSSBROMB-MHIIWPAESA-N 1 2 268.304 1.879 10 30 CDEELO C[N@@H+](CC[S@](=O)C(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000931474714 781237319 /nfs/dbraw/zinc/23/73/19/781237319.db2.gz HUYQTOBSSBROMB-MHIIWPAESA-N 1 2 268.304 1.879 10 30 CDEELO COCc1cc(C=NNCCCn2cc[nH+]c2)no1 ZINC000848416942 781336743 /nfs/dbraw/zinc/33/67/43/781336743.db2.gz DWENAJPVLGLQLG-UHFFFAOYSA-N 1 2 263.301 1.031 10 30 CDEELO C#C[C@H]1COCCN1c1nc2ccccc2n2c[nH+]cc12 ZINC000858567724 781716413 /nfs/dbraw/zinc/71/64/13/781716413.db2.gz DWXINAAUSOLGOG-LBPRGKRZSA-N 1 2 278.315 1.721 10 30 CDEELO C#C[C@@H]1CCCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000847564321 781830836 /nfs/dbraw/zinc/83/08/36/781830836.db2.gz WMFTYIRLAXARAR-GFCCVEGCSA-N 1 2 296.330 1.145 10 30 CDEELO C=C(C)C[C@@H](NC(C)=O)C(=O)OCc1cc[nH+]c(N)c1 ZINC000849965018 783263032 /nfs/dbraw/zinc/26/30/32/783263032.db2.gz ROXIKPOAVPTNHL-GFCCVEGCSA-N 1 2 277.324 1.178 10 30 CDEELO C#C[C@@H]([NH2+]Cc1nccn1CC(F)F)[C@@H]1CCCO1 ZINC000878453432 1166189272 /nfs/dbraw/zinc/18/92/72/1166189272.db2.gz KHNVMAKRZVDIRG-MNOVXSKESA-N 1 2 269.295 1.419 10 30 CDEELO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](OC)[C@@H](C)CC)C1 ZINC001483869796 915151715 /nfs/dbraw/zinc/15/17/15/915151715.db2.gz HUUSOBOJEYUCQZ-JSGCOSHPSA-N 1 2 268.401 1.766 10 30 CDEELO C=CCNC(=O)C[N@H+](C)CCNC(=O)C(C)=C1CCCC1 ZINC001266265488 893985225 /nfs/dbraw/zinc/98/52/25/893985225.db2.gz HKTCIJRHSQGYJY-UHFFFAOYSA-N 1 2 293.411 1.227 10 30 CDEELO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C(C)=C1CCCC1 ZINC001266265488 893985234 /nfs/dbraw/zinc/98/52/34/893985234.db2.gz HKTCIJRHSQGYJY-UHFFFAOYSA-N 1 2 293.411 1.227 10 30 CDEELO C#CC[N@H+]1CCCC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001266842646 896163579 /nfs/dbraw/zinc/16/35/79/896163579.db2.gz RQEINASHQVJNJP-UWVGGRQHSA-N 1 2 280.265 1.491 10 30 CDEELO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001266842646 896163590 /nfs/dbraw/zinc/16/35/90/896163590.db2.gz RQEINASHQVJNJP-UWVGGRQHSA-N 1 2 280.265 1.491 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnc(CC)o1 ZINC001266960464 896444801 /nfs/dbraw/zinc/44/48/01/896444801.db2.gz BMYCQCLCJUHKIE-GHMZBOCLSA-N 1 2 294.399 2.000 10 30 CDEELO CC#CCCCC(=O)NCC[N@@H+](CC)Cc1ccn(C)n1 ZINC001267249030 897331767 /nfs/dbraw/zinc/33/17/67/897331767.db2.gz KGJOZCCNMXZYBM-UHFFFAOYSA-N 1 2 290.411 1.552 10 30 CDEELO CC#CCCCC(=O)NCC[N@H+](CC)Cc1ccn(C)n1 ZINC001267249030 897331781 /nfs/dbraw/zinc/33/17/81/897331781.db2.gz KGJOZCCNMXZYBM-UHFFFAOYSA-N 1 2 290.411 1.552 10 30 CDEELO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001267410238 897865343 /nfs/dbraw/zinc/86/53/43/897865343.db2.gz NXTWNZNKCNTBDM-OKILXGFUSA-N 1 2 293.411 1.106 10 30 CDEELO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001267410238 897865354 /nfs/dbraw/zinc/86/53/54/897865354.db2.gz NXTWNZNKCNTBDM-OKILXGFUSA-N 1 2 293.411 1.106 10 30 CDEELO C=CC[NH+]1CC(NC(=O)CCNC(=O)C2CCCCC2)C1 ZINC001267661754 899199211 /nfs/dbraw/zinc/19/92/11/899199211.db2.gz IZRHFGRYIJNMBG-UHFFFAOYSA-N 1 2 293.411 1.059 10 30 CDEELO C=CCC(C)(C)C(=O)NC1C[NH+](CCOCC2CC2)C1 ZINC001267663046 899204796 /nfs/dbraw/zinc/20/47/96/899204796.db2.gz GVKSDQMAFQNXIU-UHFFFAOYSA-N 1 2 280.412 1.816 10 30 CDEELO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)=C(C)C ZINC001267710952 899342945 /nfs/dbraw/zinc/34/29/45/899342945.db2.gz FARAVCYBRYVEBC-HOTGVXAUSA-N 1 2 290.407 1.668 10 30 CDEELO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)=C(C)C ZINC001267710952 899342956 /nfs/dbraw/zinc/34/29/56/899342956.db2.gz FARAVCYBRYVEBC-HOTGVXAUSA-N 1 2 290.407 1.668 10 30 CDEELO COCC#CC[NH2+][C@H](CO)c1cc(F)ccc1F ZINC001176927776 914364338 /nfs/dbraw/zinc/36/43/38/914364338.db2.gz XRVYZWPPHHCRFE-CYBMUJFWSA-N 1 2 255.264 1.238 10 30 CDEELO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001267762744 899631117 /nfs/dbraw/zinc/63/11/17/899631117.db2.gz SYMKVYMDAVRZCM-CYBMUJFWSA-N 1 2 268.788 1.931 10 30 CDEELO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001267762744 899631124 /nfs/dbraw/zinc/63/11/24/899631124.db2.gz SYMKVYMDAVRZCM-CYBMUJFWSA-N 1 2 268.788 1.931 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)CC2CCCC2)C1 ZINC001481541999 901122276 /nfs/dbraw/zinc/12/22/76/901122276.db2.gz QRJMWTBJOZIYOC-UHFFFAOYSA-N 1 2 266.385 1.570 10 30 CDEELO C=C[C@@](C)(CC)C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001481580760 901340411 /nfs/dbraw/zinc/34/04/11/901340411.db2.gz BRKROWVONBZMJF-HNNXBMFYSA-N 1 2 276.384 1.286 10 30 CDEELO C=CCCC[NH+]1CC(NC(=O)CCCC(C)=O)C1 ZINC001268246088 901659911 /nfs/dbraw/zinc/65/99/11/901659911.db2.gz OMGOWXMNSNTGKI-UHFFFAOYSA-N 1 2 252.358 1.512 10 30 CDEELO C#CCOCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C\Cl ZINC001481672050 901771755 /nfs/dbraw/zinc/77/17/55/901771755.db2.gz VJXDGJQGJJCIHL-UARNIUSMSA-N 1 2 282.771 1.064 10 30 CDEELO C#CCOCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C\Cl ZINC001481672050 901771765 /nfs/dbraw/zinc/77/17/65/901771765.db2.gz VJXDGJQGJJCIHL-UARNIUSMSA-N 1 2 282.771 1.064 10 30 CDEELO C[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001481721654 901951507 /nfs/dbraw/zinc/95/15/07/901951507.db2.gz RHOADDKKKKJZKK-SMDDNHRTSA-N 1 2 290.342 1.413 10 30 CDEELO C[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001481721654 901951514 /nfs/dbraw/zinc/95/15/14/901951514.db2.gz RHOADDKKKKJZKK-SMDDNHRTSA-N 1 2 290.342 1.413 10 30 CDEELO O=C(C#CC1CC1)NC1C[NH+](CC2=CCCCC2)C1 ZINC001567792932 1168977101 /nfs/dbraw/zinc/97/71/01/1168977101.db2.gz VEYNDPAXRTYTBL-UHFFFAOYSA-N 1 2 258.365 1.701 10 30 CDEELO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](OC)C(C)C)C1 ZINC001482199722 903306642 /nfs/dbraw/zinc/30/66/42/903306642.db2.gz SAIRUDALJYLCHQ-KGLIPLIRSA-N 1 2 284.400 1.051 10 30 CDEELO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](OC)C(C)C)C1 ZINC001482199722 903306656 /nfs/dbraw/zinc/30/66/56/903306656.db2.gz SAIRUDALJYLCHQ-KGLIPLIRSA-N 1 2 284.400 1.051 10 30 CDEELO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001269113179 903428694 /nfs/dbraw/zinc/42/86/94/903428694.db2.gz NPKRTYFPNJGYGM-CQSZACIVSA-N 1 2 277.343 1.877 10 30 CDEELO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001269113179 903428696 /nfs/dbraw/zinc/42/86/96/903428696.db2.gz NPKRTYFPNJGYGM-CQSZACIVSA-N 1 2 277.343 1.877 10 30 CDEELO C#CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001269121671 903441973 /nfs/dbraw/zinc/44/19/73/903441973.db2.gz 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C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001265275698 944310861 /nfs/dbraw/zinc/31/08/61/944310861.db2.gz SIVFHVXVJDOFGY-ZDUSSCGKSA-N 1 2 277.368 1.948 10 30 CDEELO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001265275698 944310869 /nfs/dbraw/zinc/31/08/69/944310869.db2.gz SIVFHVXVJDOFGY-ZDUSSCGKSA-N 1 2 277.368 1.948 10 30 CDEELO C=CC[NH2+][C@H](CNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001265356410 944357704 /nfs/dbraw/zinc/35/77/04/944357704.db2.gz MDLKDBPHCNUWCW-RKDXNWHRSA-N 1 2 268.254 1.557 10 30 CDEELO C=CC[NH2+][C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001265356410 944357708 /nfs/dbraw/zinc/35/77/08/944357708.db2.gz MDLKDBPHCNUWCW-RKDXNWHRSA-N 1 2 268.254 1.557 10 30 CDEELO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001266239945 944778071 /nfs/dbraw/zinc/77/80/71/944778071.db2.gz LWZXQIUWIFZFFN-ZDUSSCGKSA-N 1 2 295.427 1.258 10 30 CDEELO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001266239945 944778083 /nfs/dbraw/zinc/77/80/83/944778083.db2.gz 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CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1ncccn1 ZINC001566012430 1168213525 /nfs/dbraw/zinc/21/35/25/1168213525.db2.gz TZWUJEKJCAVRQL-LSDHHAIUSA-N 1 2 298.390 1.359 10 30 CDEELO N#Cc1ccc(C2([NH2+]Cc3nnc[nH]3)CCOCC2)cc1 ZINC001647318298 1168555812 /nfs/dbraw/zinc/55/58/12/1168555812.db2.gz WBHOJORYQAHBMF-UHFFFAOYSA-N 1 2 283.335 1.472 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)Cc2ccccc2)C1 ZINC001567797861 1168980574 /nfs/dbraw/zinc/98/05/74/1168980574.db2.gz CCQIMWIYVXXNIJ-UHFFFAOYSA-N 1 2 274.364 1.232 10 30 CDEELO C=C[C@@](C)(CC)C(=O)N(C)CC[N@H+](C)Cc1ccn(C)n1 ZINC001568495747 1169330324 /nfs/dbraw/zinc/33/03/24/1169330324.db2.gz VYEMVAXGVKERFX-INIZCTEOSA-N 1 2 292.427 1.913 10 30 CDEELO C=C[C@@](C)(CC)C(=O)N(C)CC[N@@H+](C)Cc1ccn(C)n1 ZINC001568495747 1169330333 /nfs/dbraw/zinc/33/03/33/1169330333.db2.gz VYEMVAXGVKERFX-INIZCTEOSA-N 1 2 292.427 1.913 10 30 CDEELO C[C@H]([NH2+]C/C=C\CNC(=O)C#CC1CC1)c1csnn1 ZINC001568849256 1169518165 /nfs/dbraw/zinc/51/81/65/1169518165.db2.gz 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CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)OCC(C)C ZINC001269206354 903553302 /nfs/dbraw/zinc/55/33/02/903553302.db2.gz VQOVBPGVUGOILY-ZIAGYGMSSA-N 1 2 266.385 1.261 10 30 CDEELO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC(C)(C)C ZINC001483637303 912097471 /nfs/dbraw/zinc/09/74/71/912097471.db2.gz UOLOJCCJBRPEPJ-STQMWFEESA-N 1 2 295.427 1.446 10 30 CDEELO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC(C)(C)C ZINC001483637303 912097485 /nfs/dbraw/zinc/09/74/85/912097485.db2.gz UOLOJCCJBRPEPJ-STQMWFEESA-N 1 2 295.427 1.446 10 30 CDEELO C=C(C)C[NH+]1CC(N(C)C(=O)CCc2cnn(C)c2C)C1 ZINC001483865215 915142430 /nfs/dbraw/zinc/14/24/30/915142430.db2.gz WIRJSKQIWCNFLM-UHFFFAOYSA-N 1 2 290.411 1.380 10 30 CDEELO C=C[C@@H](C(=O)NC1(CCO)C[NH+](CC)C1)c1ccccc1 ZINC001485425772 916953404 /nfs/dbraw/zinc/95/34/04/916953404.db2.gz RWHPAHYODPOBNV-OAHLLOKOSA-N 1 2 288.391 1.529 10 30 CDEELO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[C@H](C)CC)C1 ZINC001485507227 917051824 /nfs/dbraw/zinc/05/18/24/917051824.db2.gz 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/nfs/dbraw/zinc/19/93/29/927199329.db2.gz SRLHBEVKAXIHJT-JQWIXIFHSA-N 1 2 292.770 1.585 10 30 CDEELO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001490558198 927229796 /nfs/dbraw/zinc/22/97/96/927229796.db2.gz BOWQIAVLXJOBLG-CJNGLKHVSA-N 1 2 290.411 1.713 10 30 CDEELO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001490558198 927229807 /nfs/dbraw/zinc/22/98/07/927229807.db2.gz BOWQIAVLXJOBLG-CJNGLKHVSA-N 1 2 290.411 1.713 10 30 CDEELO CC1(C#N)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001649746062 1169330961 /nfs/dbraw/zinc/33/09/61/1169330961.db2.gz HZTQDUIAOKUVKF-GFCCVEGCSA-N 1 2 272.352 1.598 10 30 CDEELO N#CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CC1 ZINC001136421426 931018385 /nfs/dbraw/zinc/01/83/85/931018385.db2.gz PWUVPLWJJRYPDL-UHFFFAOYSA-N 1 2 294.358 1.988 10 30 CDEELO C=CC[NH+]1CCC(CO)(NC(=O)C(F)C(F)(F)F)CC1 ZINC001274910769 931607544 /nfs/dbraw/zinc/60/75/44/931607544.db2.gz UHUYNBHPAMKJLR-SECBINFHSA-N 1 2 298.280 1.016 10 30 CDEELO C=CC[NH+]1CCC(CO)(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001274910769 931607547 /nfs/dbraw/zinc/60/75/47/931607547.db2.gz UHUYNBHPAMKJLR-SECBINFHSA-N 1 2 298.280 1.016 10 30 CDEELO CC1CC(C#N)(C(=O)N2CCc3cc[nH+]c(N)c3C2)C1 ZINC001412438510 932430036 /nfs/dbraw/zinc/43/00/36/932430036.db2.gz RDUZUYVFXCIBOK-UHFFFAOYSA-N 1 2 270.336 1.488 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)/C=C(\C)CC)C1 ZINC001276043806 932464925 /nfs/dbraw/zinc/46/49/25/932464925.db2.gz JGSHOVIBDOOZBB-MDWZMJQESA-N 1 2 266.385 1.472 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)CCCC#CC)C1 ZINC001276075957 932494505 /nfs/dbraw/zinc/49/45/05/932494505.db2.gz QWDCLUXJTQJICH-UHFFFAOYSA-N 1 2 278.396 1.309 10 30 CDEELO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000934466417 933942509 /nfs/dbraw/zinc/94/25/09/933942509.db2.gz JVASAFDNFXWALG-ZJUUUORDSA-N 1 2 262.361 1.231 10 30 CDEELO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000934466417 933942518 /nfs/dbraw/zinc/94/25/18/933942518.db2.gz JVASAFDNFXWALG-ZJUUUORDSA-N 1 2 262.361 1.231 10 30 CDEELO C#CCC[NH+]1CCN(C(=O)c2c(Cl)ccnc2F)CC1 ZINC001123546632 936178221 /nfs/dbraw/zinc/17/82/21/936178221.db2.gz ONGNIGVJPDBITR-UHFFFAOYSA-N 1 2 295.745 1.655 10 30 CDEELO C[NH+](C)Cc1nc(CNC(=O)C#Cc2ccccc2)co1 ZINC001124058202 936278276 /nfs/dbraw/zinc/27/82/76/936278276.db2.gz HWWBMRZACVKADA-UHFFFAOYSA-N 1 2 283.331 1.404 10 30 CDEELO C#C[C@@H](C)[NH2+]Cc1oc(Br)cc1C(=O)OC ZINC001205744490 939930940 /nfs/dbraw/zinc/93/09/40/939930940.db2.gz KOHZRCKXMVPCKU-SSDOTTSWSA-N 1 2 286.125 1.940 10 30 CDEELO C#C[C@H](CC)[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314717528 941420957 /nfs/dbraw/zinc/42/09/57/941420957.db2.gz XQJFCRXXVBGILA-DTWKUNHWSA-N 1 2 252.339 1.992 10 30 CDEELO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1(C2CCC2)CCC1 ZINC001276892382 941679406 /nfs/dbraw/zinc/67/94/06/941679406.db2.gz RFZVTNCKIQQMKB-CQSZACIVSA-N 1 2 260.381 1.781 10 30 CDEELO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C2CCC2)CCC1 ZINC001276892382 941679408 /nfs/dbraw/zinc/67/94/08/941679408.db2.gz RFZVTNCKIQQMKB-CQSZACIVSA-N 1 2 260.381 1.781 10 30 CDEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](C)CSC)O2 ZINC001280920364 942505447 /nfs/dbraw/zinc/50/54/47/942505447.db2.gz RRCYAAMTFSXGHJ-CHWSQXEVSA-N 1 2 298.452 1.521 10 30 CDEELO C#CCCCC(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)[C@@H](C)C1 ZINC001281390062 942569810 /nfs/dbraw/zinc/56/98/10/942569810.db2.gz IMNGFELMFOHMMB-AAEUAGOBSA-N 1 2 290.367 1.118 10 30 CDEELO C=CCCC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC001277772596 943504476 /nfs/dbraw/zinc/50/44/76/943504476.db2.gz YTSNIFUCIOGPMK-WDEREUQCSA-N 1 2 280.372 1.842 10 30 CDEELO C=CCCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC001277772588 943504641 /nfs/dbraw/zinc/50/46/41/943504641.db2.gz YTSNIFUCIOGPMK-GHMZBOCLSA-N 1 2 280.372 1.842 10 30 CDEELO C#C[C@@H]([NH2+]Cc1n[nH]cc1Br)C1CCOCC1 ZINC001474637371 971024759 /nfs/dbraw/zinc/02/47/59/971024759.db2.gz YPKJBCVBOKKAHR-LLVKDONJSA-N 1 2 298.184 1.690 10 30 CDEELO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C1CCC1 ZINC001264366783 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WPFLWTYRZNZYJZ-IUODEOHRSA-N 1 2 293.367 1.001 10 30 CDEELO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)NC(C)(C)C ZINC001670645810 1158672426 /nfs/dbraw/zinc/67/24/26/1158672426.db2.gz IFICGYSOTJFLAI-ZDUSSCGKSA-N 1 2 295.427 1.448 10 30 CDEELO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001670645810 1158672425 /nfs/dbraw/zinc/67/24/25/1158672425.db2.gz IFICGYSOTJFLAI-ZDUSSCGKSA-N 1 2 295.427 1.448 10 30 CDEELO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C=C ZINC001691052432 1158841294 /nfs/dbraw/zinc/84/12/94/1158841294.db2.gz AUCFPQPSRJDWCU-CYBMUJFWSA-N 1 2 293.411 1.034 10 30 CDEELO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C=C ZINC001691052432 1158841306 /nfs/dbraw/zinc/84/13/06/1158841306.db2.gz AUCFPQPSRJDWCU-CYBMUJFWSA-N 1 2 293.411 1.034 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@H](C)[NH2+]Cc1cnsn1 ZINC001266941893 1159002454 /nfs/dbraw/zinc/00/24/54/1159002454.db2.gz GEDZTPCSKSUVTK-JTQLQIEISA-N 1 2 282.413 1.735 10 30 CDEELO C=CCOCC(=O)N[C@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C1 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C=CCC1(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CCCC1 ZINC001644049198 1167291574 /nfs/dbraw/zinc/29/15/74/1167291574.db2.gz LJYYJBVBNINSRB-ZDUSSCGKSA-N 1 2 277.368 1.566 10 30 CDEELO C=CCC1(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CCCC1 ZINC001644049198 1167291577 /nfs/dbraw/zinc/29/15/77/1167291577.db2.gz LJYYJBVBNINSRB-ZDUSSCGKSA-N 1 2 277.368 1.566 10 30 CDEELO C=CC[C@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001568312292 1169239467 /nfs/dbraw/zinc/23/94/67/1169239467.db2.gz CGWPGWTYRFJXJU-LLVKDONJSA-N 1 2 287.319 1.245 10 30 CDEELO C=C[C@](C)(O)CC(=O)NC/C=C\C[NH2+]Cc1coc(C)n1 ZINC001568844174 1169514847 /nfs/dbraw/zinc/51/48/47/1169514847.db2.gz ZPGRPXNMNIHMKJ-YVACAVLKSA-N 1 2 293.367 1.072 10 30 CDEELO CC[C@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)C#CC(C)C ZINC001569358474 1169795784 /nfs/dbraw/zinc/79/57/84/1169795784.db2.gz YEHRFDKBOHQKCK-QWHCGFSZSA-N 1 2 254.349 1.584 10 30 CDEELO CC[C@H](F)C[N@H+]1CC[C@@H]1CNC(=O)C#CC(C)C ZINC001569358474 1169795788 /nfs/dbraw/zinc/79/57/88/1169795788.db2.gz YEHRFDKBOHQKCK-QWHCGFSZSA-N 1 2 254.349 1.584 10 30 CDEELO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CCCC1CC1)CO2 ZINC001570245615 1170121446 /nfs/dbraw/zinc/12/14/46/1170121446.db2.gz LHKIWPURVCGURT-HNNXBMFYSA-N 1 2 290.407 1.550 10 30 CDEELO C=CCC[NH+]1CC(CCO)(NC(=O)c2ccc(Cl)o2)C1 ZINC001570756581 1170273546 /nfs/dbraw/zinc/27/35/46/1170273546.db2.gz LNCZHHKIOZQJKF-UHFFFAOYSA-N 1 2 298.770 1.676 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[C@@H]2CC)C1 ZINC001570765071 1170276794 /nfs/dbraw/zinc/27/67/94/1170276794.db2.gz LWDDIYPACBZPLR-LSDHHAIUSA-N 1 2 294.439 1.942 10 30 CDEELO N#Cc1cc2cccnc2nc1NCCn1cc[nH+]c1 ZINC001651293525 1171313500 /nfs/dbraw/zinc/31/35/00/1171313500.db2.gz KRMZBELUBKGHEX-UHFFFAOYSA-N 1 2 264.292 1.810 10 30 CDEELO C#Cc1cncc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC001587805184 1173001259 /nfs/dbraw/zinc/00/12/59/1173001259.db2.gz NCGBDCDWHQIGMN-UHFFFAOYSA-N 1 2 254.293 1.333 10 30 CDEELO C#C[C@H](NC(=O)NCc1c[nH+]cn1C)c1ccccc1 ZINC001682356587 1174612494 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CCc1nnc(NCCc2cn(C)c[nH+]2)c(C#N)c1CC ZINC000313473739 289430782 /nfs/dbraw/zinc/43/07/82/289430782.db2.gz PFZNVBBVZMXELB-UHFFFAOYSA-N 1 2 284.367 1.861 10 30 CDEELO C#CC[N@@H+](C)C[C@H](C)NC(=O)c1cccc2nc[nH]c21 ZINC001669899018 1173627842 /nfs/dbraw/zinc/62/78/42/1173627842.db2.gz QFYHMKQKZUUSFG-NSHDSACASA-N 1 2 270.336 1.246 10 30 CDEELO C#CC[N@H+](C)C[C@H](C)NC(=O)c1cccc2nc[nH]c21 ZINC001669899018 1173627847 /nfs/dbraw/zinc/62/78/47/1173627847.db2.gz QFYHMKQKZUUSFG-NSHDSACASA-N 1 2 270.336 1.246 10 30 CDEELO C[N@@H+]1CCO[C@H](CSc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000580188540 324393353 /nfs/dbraw/zinc/39/33/53/324393353.db2.gz LYUWVHLZQCOFOH-NSHDSACASA-N 1 2 293.348 1.889 10 30 CDEELO C[N@H+]1CCO[C@H](CSc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000580188540 324393355 /nfs/dbraw/zinc/39/33/55/324393355.db2.gz LYUWVHLZQCOFOH-NSHDSACASA-N 1 2 293.348 1.889 10 30 CDEELO CC#CC[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000172747943 329138570 /nfs/dbraw/zinc/13/85/70/329138570.db2.gz CESTVBXMAMSSGA-UHFFFAOYSA-N 1 2 263.385 1.670 10 30 CDEELO C#CCCCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186520399 329344760 /nfs/dbraw/zinc/34/47/60/329344760.db2.gz XJXZPFNJSCEQGC-UHFFFAOYSA-N 1 2 286.379 1.717 10 30 CDEELO C#CC[NH+]1CCN(CCN(C)C(=O)CC(C)(C)C)CC1 ZINC001691928544 1159178007 /nfs/dbraw/zinc/17/80/07/1159178007.db2.gz ALWIWVWWGPKWRZ-UHFFFAOYSA-N 1 2 279.428 1.132 10 30 CDEELO CCc1cc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000517376554 333098393 /nfs/dbraw/zinc/09/83/93/333098393.db2.gz MNWPTZBNGODVII-CQSZACIVSA-N 1 2 263.341 1.724 10 30 CDEELO C=CCNC(=O)[C@@H](C)[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000249019148 334324833 /nfs/dbraw/zinc/32/48/33/334324833.db2.gz QGSRNJLTFZXGNZ-CWTRNNRKSA-N 1 2 286.441 1.300 10 30 CDEELO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000249019148 334324835 /nfs/dbraw/zinc/32/48/35/334324835.db2.gz QGSRNJLTFZXGNZ-CWTRNNRKSA-N 1 2 286.441 1.300 10 30 CDEELO N#CCCN(Cc1ccco1)C(=O)Cn1cc[nH+]c1 ZINC000577547416 335367187 /nfs/dbraw/zinc/36/71/87/335367187.db2.gz KVVJMDZCWATIHD-UHFFFAOYSA-N 1 2 258.281 1.419 10 30 CDEELO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)CCC)C1 ZINC001267739266 1159582434 /nfs/dbraw/zinc/58/24/34/1159582434.db2.gz ZVDYICDYSLQHBT-ZIAGYGMSSA-N 1 2 295.427 1.448 10 30 CDEELO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@H](C)CCC)C1 ZINC001267739266 1159582436 /nfs/dbraw/zinc/58/24/36/1159582436.db2.gz ZVDYICDYSLQHBT-ZIAGYGMSSA-N 1 2 295.427 1.448 10 30 CDEELO C#CCC[NH+]1CC(O)(CNC(=O)c2sccc2Cl)C1 ZINC001699914155 1176680882 /nfs/dbraw/zinc/68/08/82/1176680882.db2.gz WUJJYHRNPGAKBM-UHFFFAOYSA-N 1 2 298.795 1.201 10 30 CDEELO C=C(C)[C@@H](CO)Sc1[nH+]cnc2c1cnn2C ZINC000677132161 482468115 /nfs/dbraw/zinc/46/81/15/482468115.db2.gz YFWKFWKOAPQAER-SECBINFHSA-N 1 2 250.327 1.392 10 30 CDEELO O=C(C#CC1CC1)NC[C@@H]1CC[N@H+]1CCC(F)(F)F ZINC001723424721 1181558629 /nfs/dbraw/zinc/55/86/29/1181558629.db2.gz SKNKAZOCJVSSLD-NSHDSACASA-N 1 2 274.286 1.543 10 30 CDEELO O=C(C#CC1CC1)NC[C@@H]1CC[N@@H+]1CCC(F)(F)F ZINC001723424721 1181558632 /nfs/dbraw/zinc/55/86/32/1181558632.db2.gz SKNKAZOCJVSSLD-NSHDSACASA-N 1 2 274.286 1.543 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)/C(C)=C/CC)C1 ZINC001724434723 1181676611 /nfs/dbraw/zinc/67/66/11/1181676611.db2.gz ZDAFRPAKEVECFG-WUXMJOGZSA-N 1 2 252.358 1.082 10 30 CDEELO C#CCC[NH2+][C@H](C)CN(C)C(=O)C(F)C(F)(F)F ZINC001725491669 1182021699 /nfs/dbraw/zinc/02/16/99/1182021699.db2.gz UJMPEIWSFYYEMD-BDAKNGLRSA-N 1 2 268.254 1.347 10 30 CDEELO C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001725491669 1182021708 /nfs/dbraw/zinc/02/17/08/1182021708.db2.gz UJMPEIWSFYYEMD-BDAKNGLRSA-N 1 2 268.254 1.347 10 30 CDEELO COc1cc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)ccc1C#N ZINC000414592096 536764646 /nfs/dbraw/zinc/76/46/46/536764646.db2.gz ZFPOUGDZERNZSE-ABAIWWIYSA-N 1 2 276.336 1.148 10 30 CDEELO COc1cc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)ccc1C#N ZINC000414592096 536764648 /nfs/dbraw/zinc/76/46/48/536764648.db2.gz ZFPOUGDZERNZSE-ABAIWWIYSA-N 1 2 276.336 1.148 10 30 CDEELO C#CC[N@@H+](Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000770510154 575458437 /nfs/dbraw/zinc/45/84/37/575458437.db2.gz ZOAQTGYHYGDNQN-CYBMUJFWSA-N 1 2 279.361 1.015 10 30 CDEELO C#CC[N@H+](Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000770510154 575458442 /nfs/dbraw/zinc/45/84/42/575458442.db2.gz ZOAQTGYHYGDNQN-CYBMUJFWSA-N 1 2 279.361 1.015 10 30 CDEELO C#CCCCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000774318125 575198566 /nfs/dbraw/zinc/19/85/66/575198566.db2.gz BLZBIXYJQRJEGA-UHFFFAOYSA-N 1 2 284.319 1.193 10 30 CDEELO COc1ncnc(N)c1C=[NH+]NCc1cccc(C)c1 ZINC000764713308 575937513 /nfs/dbraw/zinc/93/75/13/575937513.db2.gz BGGTUTNQHXQWSA-UHFFFAOYSA-N 1 2 271.324 1.500 10 30 CDEELO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000749513300 576951236 /nfs/dbraw/zinc/95/12/36/576951236.db2.gz BZBPYWPJDATWJA-ZDUSSCGKSA-N 1 2 288.351 1.664 10 30 CDEELO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000749513300 576951237 /nfs/dbraw/zinc/95/12/37/576951237.db2.gz BZBPYWPJDATWJA-ZDUSSCGKSA-N 1 2 288.351 1.664 10 30 CDEELO N#Cc1cccn(C[NH+]2CCC(c3ccccn3)CC2)c1=O ZINC000758240777 577088771 /nfs/dbraw/zinc/08/87/71/577088771.db2.gz IWIDEPZPCLDUJU-UHFFFAOYSA-N 1 2 294.358 1.952 10 30 CDEELO C=CCNC(=O)C[NH+]1CCN(c2ccnc(Cl)c2)CC1 ZINC000758375213 577102719 /nfs/dbraw/zinc/10/27/19/577102719.db2.gz NWUQQPSGDVBFTR-UHFFFAOYSA-N 1 2 294.786 1.159 10 30 CDEELO C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C(F)C(F)(F)F)C1 ZINC001698583304 1175065421 /nfs/dbraw/zinc/06/54/21/1175065421.db2.gz WKRBJVSWIFWZHH-WDEREUQCSA-N 1 2 294.292 1.833 10 30 CDEELO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C(F)C(F)(F)F)C1 ZINC001698583304 1175065425 /nfs/dbraw/zinc/06/54/25/1175065425.db2.gz WKRBJVSWIFWZHH-WDEREUQCSA-N 1 2 294.292 1.833 10 30 CDEELO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(C)c3)CC2)C1 ZINC000941296263 613115733 /nfs/dbraw/zinc/11/57/33/613115733.db2.gz OLLQFJSQKFDNEJ-UHFFFAOYSA-N 1 2 297.402 1.070 10 30 CDEELO COc1ccc(C[NH2+][C@H]2CCCN(O)C2=O)c(F)c1OC ZINC000895158399 619375220 /nfs/dbraw/zinc/37/52/20/619375220.db2.gz ZRYYTUPNJCWGKA-JTQLQIEISA-N 1 2 298.314 1.313 10 30 CDEELO COC(=O)[C@@H]1[C@@H](C[N@@H+]2CC[C@](C)(C#N)C2)C1(F)F ZINC000895336390 619579588 /nfs/dbraw/zinc/57/95/88/619579588.db2.gz UMJDTAKOKNIFJD-WCABBAIRSA-N 1 2 258.268 1.276 10 30 CDEELO COC(=O)[C@@H]1[C@@H](C[N@H+]2CC[C@](C)(C#N)C2)C1(F)F ZINC000895336390 619579592 /nfs/dbraw/zinc/57/95/92/619579592.db2.gz UMJDTAKOKNIFJD-WCABBAIRSA-N 1 2 258.268 1.276 10 30 CDEELO C#CC[N@@H+](Cc1cc(C(=O)OC)c(C)[nH]1)C1CSC1 ZINC000895810632 619848236 /nfs/dbraw/zinc/84/82/36/619848236.db2.gz HPTKEAJJCWCOSJ-UHFFFAOYSA-N 1 2 278.377 1.660 10 30 CDEELO C#CC[N@H+](Cc1cc(C(=O)OC)c(C)[nH]1)C1CSC1 ZINC000895810632 619848240 /nfs/dbraw/zinc/84/82/40/619848240.db2.gz HPTKEAJJCWCOSJ-UHFFFAOYSA-N 1 2 278.377 1.660 10 30 CDEELO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)[nH]n1 ZINC000896833267 620246852 /nfs/dbraw/zinc/24/68/52/620246852.db2.gz CZYQRJLEUPANHL-MISXGVKJSA-N 1 2 287.367 1.598 10 30 CDEELO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)[nH]n1 ZINC000896833267 620246854 /nfs/dbraw/zinc/24/68/54/620246854.db2.gz CZYQRJLEUPANHL-MISXGVKJSA-N 1 2 287.367 1.598 10 30 CDEELO C/C(=C/C(=O)N1CCC(C#N)CC1)C[NH+]1CCOCC1 ZINC000900435743 623052459 /nfs/dbraw/zinc/05/24/59/623052459.db2.gz DSFIRHCACSZFIU-RAXLEYEMSA-N 1 2 277.368 1.027 10 30 CDEELO C#C[C@H]([NH2+][C@H](C)c1cn(CCC)nn1)[C@@H]1CCCO1 ZINC000902958166 625695969 /nfs/dbraw/zinc/69/59/69/625695969.db2.gz ORVSEYYOCSVRME-DYEKYZERSA-N 1 2 262.357 1.520 10 30 CDEELO C=CC[C@H]([NH2+][C@@H]1C[C@H]1C1CCOCC1)C(=O)OC ZINC000905779799 626961290 /nfs/dbraw/zinc/96/12/90/626961290.db2.gz ZUKPYKCNDFIDFO-RWMBFGLXSA-N 1 2 253.342 1.509 10 30 CDEELO C#CC[C@@H](COC)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906087425 627113231 /nfs/dbraw/zinc/11/32/31/627113231.db2.gz MPQDJJOYSTUVRR-ZDUSSCGKSA-N 1 2 260.337 1.775 10 30 CDEELO C#C[C@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)C(C)(C)C ZINC000908225830 628068005 /nfs/dbraw/zinc/06/80/05/628068005.db2.gz XVGSSEFUFGQKMH-CMPYXILNSA-N 1 2 278.396 1.429 10 30 CDEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912584895 630078622 /nfs/dbraw/zinc/07/86/22/630078622.db2.gz TYJJAYMZFHAAOW-GVXVVHGQSA-N 1 2 261.325 1.425 10 30 CDEELO O=C(N[C@H]1CCn2c[nH+]cc21)c1cccc(C#CCO)c1 ZINC000912585296 630079704 /nfs/dbraw/zinc/07/97/04/630079704.db2.gz RKFAQEKGKRTZBW-AWEZNQCLSA-N 1 2 281.315 1.102 10 30 CDEELO N#CCCNC(=O)Cn1c[nH+]c(Cc2ccccc2)c1 ZINC000919136790 632507555 /nfs/dbraw/zinc/50/75/55/632507555.db2.gz PFELCFKVJZWCAN-UHFFFAOYSA-N 1 2 268.320 1.504 10 30 CDEELO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001690983382 1158513607 /nfs/dbraw/zinc/51/36/07/1158513607.db2.gz HQEZOJZXMZJXJH-STQMWFEESA-N 1 2 286.803 1.768 10 30 CDEELO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001690983382 1158513611 /nfs/dbraw/zinc/51/36/11/1158513611.db2.gz HQEZOJZXMZJXJH-STQMWFEESA-N 1 2 286.803 1.768 10 30 CDEELO C[C@H](C#N)C(=O)NC[C@@H]1CC[N@@H+]1CCC(F)(F)F ZINC001670618878 1158664424 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C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C#N)cs3)C[C@@H]21 ZINC000284320391 393191129 /nfs/dbraw/zinc/19/11/29/393191129.db2.gz BDGIXFBMOWCLKD-NWDGAFQWSA-N 1 2 291.376 1.165 10 30 CDEELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C#N)cs3)C[C@@H]21 ZINC000284320391 393191132 /nfs/dbraw/zinc/19/11/32/393191132.db2.gz BDGIXFBMOWCLKD-NWDGAFQWSA-N 1 2 291.376 1.165 10 30 CDEELO C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2cncs2)C1 ZINC001664654732 1172880394 /nfs/dbraw/zinc/88/03/94/1172880394.db2.gz BGGGYJNLZCCVQV-GFCCVEGCSA-N 1 2 277.393 1.703 10 30 CDEELO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cncs2)C1 ZINC001664654732 1172880398 /nfs/dbraw/zinc/88/03/98/1172880398.db2.gz BGGGYJNLZCCVQV-GFCCVEGCSA-N 1 2 277.393 1.703 10 30 CDEELO N#Cc1csc(CN2CC[NH+](Cc3ccco3)CC2)n1 ZINC000356084869 157348606 /nfs/dbraw/zinc/34/86/06/157348606.db2.gz LVMIRSZTUOYEPO-UHFFFAOYSA-N 1 2 288.376 1.926 10 30 CDEELO C[N+](C)(C)CCCNC(=O)/C(=N\O)c1ccccc1 ZINC000010000937 170394500 /nfs/dbraw/zinc/39/45/00/170394500.db2.gz BFYNPVWSMZQGGY-UHFFFAOYSA-O 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C=CCCCC(=O)NCC1(O)C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001271343237 906256112 /nfs/dbraw/zinc/25/61/12/906256112.db2.gz KRKVKAPRIWHNIT-KGLIPLIRSA-N 1 2 296.411 1.073 10 30 CDEELO CC/C=C/CC[N@@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1 ZINC001280406965 906527231 /nfs/dbraw/zinc/52/72/31/906527231.db2.gz ZTJLZKNDAMUWDR-QDLOVBKTSA-N 1 2 290.407 1.573 10 30 CDEELO CC/C=C/CC[N@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1 ZINC001280406965 906527241 /nfs/dbraw/zinc/52/72/41/906527241.db2.gz ZTJLZKNDAMUWDR-QDLOVBKTSA-N 1 2 290.407 1.573 10 30 CDEELO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCOCC1 ZINC001424932205 909767069 /nfs/dbraw/zinc/76/70/69/909767069.db2.gz NORAWHIBOQZGRB-QWHCGFSZSA-N 1 2 288.819 1.992 10 30 CDEELO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCOCC1 ZINC001424932205 909767077 /nfs/dbraw/zinc/76/70/77/909767077.db2.gz NORAWHIBOQZGRB-QWHCGFSZSA-N 1 2 288.819 1.992 10 30 CDEELO C=CCC[NH+]1CC(N(C)C(=O)CCCn2ccnc2C)C1 ZINC001483883831 915153112 /nfs/dbraw/zinc/15/31/12/915153112.db2.gz TWIVIBSVUJTWPV-UHFFFAOYSA-N 1 2 290.411 1.690 10 30 CDEELO C#CCC[NH+]1CC(O)(CNC(=O)c2ccccc2CC)C1 ZINC001484291280 915589781 /nfs/dbraw/zinc/58/97/81/915589781.db2.gz MWVYSARSMOVSNH-UHFFFAOYSA-N 1 2 286.375 1.049 10 30 CDEELO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)Cn1cncc1C ZINC001484749801 916134184 /nfs/dbraw/zinc/13/41/84/916134184.db2.gz ACCPOQDZORDUEY-UHFFFAOYSA-N 1 2 298.818 1.724 10 30 CDEELO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)Cn1cncc1C ZINC001484749801 916134191 /nfs/dbraw/zinc/13/41/91/916134191.db2.gz ACCPOQDZORDUEY-UHFFFAOYSA-N 1 2 298.818 1.724 10 30 CDEELO CCC1(NCC#N)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001484819464 916189735 /nfs/dbraw/zinc/18/97/35/916189735.db2.gz PYZZHRDZOGSNNW-UHFFFAOYSA-N 1 2 289.383 1.145 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H](C)C(C)C)C1 ZINC001485418730 916959573 /nfs/dbraw/zinc/95/95/73/916959573.db2.gz YODGDIULEXZTKZ-ZDUSSCGKSA-N 1 2 268.401 1.408 10 30 CDEELO C=CC[C@@H](NCc1c[nH+]cn1CCC)C(=O)OCC ZINC001181453673 917084485 /nfs/dbraw/zinc/08/44/85/917084485.db2.gz BMBKUELPORPFMS-CYBMUJFWSA-N 1 2 265.357 1.891 10 30 CDEELO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2(CCF)CC2)C1 ZINC001568221025 1169186870 /nfs/dbraw/zinc/18/68/70/1169186870.db2.gz DMUHAFAVMNFWCZ-LBPRGKRZSA-N 1 2 270.348 1.129 10 30 CDEELO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2(CCF)CC2)C1 ZINC001568221025 1169186873 /nfs/dbraw/zinc/18/68/73/1169186873.db2.gz DMUHAFAVMNFWCZ-LBPRGKRZSA-N 1 2 270.348 1.129 10 30 CDEELO C=CCCC(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001568259361 1169202980 /nfs/dbraw/zinc/20/29/80/1169202980.db2.gz HWWYKAPHCMSOPY-SNVBAGLBSA-N 1 2 266.345 1.281 10 30 CDEELO C#CC[NH+](CC#C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC001191157428 922430511 /nfs/dbraw/zinc/43/05/11/922430511.db2.gz YPVQXEPYXYIJBT-UHFFFAOYSA-N 1 2 277.327 1.918 10 30 CDEELO C#Cc1ccc(C(=O)NCCN(C)c2cc[nH+]c(C)n2)cn1 ZINC001487402512 923907690 /nfs/dbraw/zinc/90/76/90/923907690.db2.gz HVJYBKGRQBAJSA-UHFFFAOYSA-N 1 2 295.346 1.028 10 30 CDEELO C#CCCCCC(=O)NC[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001491433391 936914682 /nfs/dbraw/zinc/91/46/82/936914682.db2.gz COHOGYWMAHSIKQ-NSHDSACASA-N 1 2 278.356 1.166 10 30 CDEELO C=CCCC(=O)N(CC)CC[NH2+]Cc1nc(C)no1 ZINC001273292967 925751159 /nfs/dbraw/zinc/75/11/59/925751159.db2.gz CXTGXDOUCWEYGD-UHFFFAOYSA-N 1 2 266.345 1.282 10 30 CDEELO CC#CC[N@H+](CC)CCCNC(=O)C(F)C(F)(F)F ZINC001490329836 927123792 /nfs/dbraw/zinc/12/37/92/927123792.db2.gz YBVRENWJGVOYFR-SNVBAGLBSA-N 1 2 282.281 1.738 10 30 CDEELO CC#CC[N@@H+](CC)CCCNC(=O)C(F)C(F)(F)F ZINC001490329836 927123804 /nfs/dbraw/zinc/12/38/04/927123804.db2.gz YBVRENWJGVOYFR-SNVBAGLBSA-N 1 2 282.281 1.738 10 30 CDEELO CC#CC[N@H+](CC)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001490329836 927123815 /nfs/dbraw/zinc/12/38/15/927123815.db2.gz YBVRENWJGVOYFR-SNVBAGLBSA-N 1 2 282.281 1.738 10 30 CDEELO CC#CC[N@@H+](CC)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001490329836 927123827 /nfs/dbraw/zinc/12/38/27/927123827.db2.gz YBVRENWJGVOYFR-SNVBAGLBSA-N 1 2 282.281 1.738 10 30 CDEELO N#Cc1cccc(N2CC[NH+](CCOC(F)F)CC2)n1 ZINC000851937404 927666718 /nfs/dbraw/zinc/66/67/18/927666718.db2.gz PNXHGNHSPJBMMG-UHFFFAOYSA-N 1 2 282.294 1.314 10 30 CDEELO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1C[C@@H]1C#N ZINC001411293510 929579442 /nfs/dbraw/zinc/57/94/42/929579442.db2.gz IAKDMPAYUMWAFK-HUUCEWRRSA-N 1 2 299.374 1.925 10 30 CDEELO C=CCC[N@H+]1CC[C@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001325099198 932829582 /nfs/dbraw/zinc/82/95/82/932829582.db2.gz WMZUDVJJAMSRKY-ONGXEEELSA-N 1 2 298.280 1.016 10 30 CDEELO C=CCC[N@@H+]1CC[C@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001325099198 932829591 /nfs/dbraw/zinc/82/95/91/932829591.db2.gz WMZUDVJJAMSRKY-ONGXEEELSA-N 1 2 298.280 1.016 10 30 CDEELO C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001325099198 932829596 /nfs/dbraw/zinc/82/95/96/932829596.db2.gz WMZUDVJJAMSRKY-ONGXEEELSA-N 1 2 298.280 1.016 10 30 CDEELO C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001325099198 932829600 /nfs/dbraw/zinc/82/96/00/932829600.db2.gz WMZUDVJJAMSRKY-ONGXEEELSA-N 1 2 298.280 1.016 10 30 CDEELO C=CCO[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001118769675 937665126 /nfs/dbraw/zinc/66/51/26/937665126.db2.gz FBLVWZCKUAJEAQ-NSHDSACASA-N 1 2 263.341 1.491 10 30 CDEELO C=C(C)C(C)(C)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001124058668 936278388 /nfs/dbraw/zinc/27/83/88/936278388.db2.gz VIBPCACRXOUNQM-UHFFFAOYSA-N 1 2 265.357 1.955 10 30 CDEELO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Oc1ccccc1F ZINC001276859458 941648260 /nfs/dbraw/zinc/64/82/60/941648260.db2.gz ATOVFEPBNVVDGF-CHWSQXEVSA-N 1 2 290.338 1.417 10 30 CDEELO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Oc1ccccc1F ZINC001276859458 941648262 /nfs/dbraw/zinc/64/82/62/941648262.db2.gz ATOVFEPBNVVDGF-CHWSQXEVSA-N 1 2 290.338 1.417 10 30 CDEELO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C=C)c1ccccc1 ZINC001276978436 941765661 /nfs/dbraw/zinc/76/56/61/941765661.db2.gz MBYJMWMMOUJZEJ-HOTGVXAUSA-N 1 2 268.360 1.780 10 30 CDEELO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C=C)c1ccccc1 ZINC001276978436 941765663 /nfs/dbraw/zinc/76/56/63/941765663.db2.gz MBYJMWMMOUJZEJ-HOTGVXAUSA-N 1 2 268.360 1.780 10 30 CDEELO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C=C)c1ccccc1 ZINC001276978457 941765926 /nfs/dbraw/zinc/76/59/26/941765926.db2.gz MBYJMWMMOUJZEJ-JKSUJKDBSA-N 1 2 268.360 1.780 10 30 CDEELO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C=C)c1ccccc1 ZINC001276978457 941765928 /nfs/dbraw/zinc/76/59/28/941765928.db2.gz MBYJMWMMOUJZEJ-JKSUJKDBSA-N 1 2 268.360 1.780 10 30 CDEELO Cc1cc(C[NH2+]C2(CNC(=O)C#CC(C)(C)C)CC2)no1 ZINC001277055968 941883058 /nfs/dbraw/zinc/88/30/58/941883058.db2.gz ZDUUDAIGIUBVPF-UHFFFAOYSA-N 1 2 289.379 1.771 10 30 CDEELO C=CCOCC[NH+]1CC(N(C)C(=O)c2ccc(F)nc2)C1 ZINC001277570359 943022734 /nfs/dbraw/zinc/02/27/34/943022734.db2.gz GAHGFTPKRYSURF-UHFFFAOYSA-N 1 2 293.342 1.180 10 30 CDEELO C=CC[NH2+]CCOCCN(C)C(=O)C(F)C(F)(F)F ZINC001284869660 943268661 /nfs/dbraw/zinc/26/86/61/943268661.db2.gz ZPOCGXXOYZRHKC-VIFPVBQESA-N 1 2 286.269 1.137 10 30 CDEELO C=CC[NH2+]CCOCCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001284869660 943268680 /nfs/dbraw/zinc/26/86/80/943268680.db2.gz ZPOCGXXOYZRHKC-VIFPVBQESA-N 1 2 286.269 1.137 10 30 CDEELO C=C(C)[C@H](C)OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001263456441 943860397 /nfs/dbraw/zinc/86/03/97/943860397.db2.gz LTKBRZSPVNABPQ-MJBXVCDLSA-N 1 2 283.368 1.374 10 30 CDEELO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(F)CCCC1 ZINC001263803088 943977902 /nfs/dbraw/zinc/97/79/02/943977902.db2.gz XBZVRKJUBWKZFE-AWEZNQCLSA-N 1 2 296.386 1.451 10 30 CDEELO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(F)CCCC1 ZINC001263803088 943977906 /nfs/dbraw/zinc/97/79/06/943977906.db2.gz XBZVRKJUBWKZFE-AWEZNQCLSA-N 1 2 296.386 1.451 10 30 CDEELO C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NCC ZINC001264370990 944113979 /nfs/dbraw/zinc/11/39/79/944113979.db2.gz NHGYOODDBYTFRZ-XJKSGUPXSA-N 1 2 295.427 1.258 10 30 CDEELO C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NCC ZINC001264370990 944113984 /nfs/dbraw/zinc/11/39/84/944113984.db2.gz NHGYOODDBYTFRZ-XJKSGUPXSA-N 1 2 295.427 1.258 10 30 CDEELO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCOCC)C1 ZINC001265205321 944273620 /nfs/dbraw/zinc/27/36/20/944273620.db2.gz GXZRSHUFOMGHFA-LBPRGKRZSA-N 1 2 274.792 1.746 10 30 CDEELO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCOCC)C1 ZINC001265205321 944273628 /nfs/dbraw/zinc/27/36/28/944273628.db2.gz GXZRSHUFOMGHFA-LBPRGKRZSA-N 1 2 274.792 1.746 10 30 CDEELO CC#CCCCC(=O)NC[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001265810496 944516803 /nfs/dbraw/zinc/51/68/03/944516803.db2.gz BAXHKLWSXBDVIN-NSHDSACASA-N 1 2 278.356 1.166 10 30 CDEELO C=CCOCC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001265905176 944565727 /nfs/dbraw/zinc/56/57/27/944565727.db2.gz CAKGPCFDWZUGGT-VHSXEESVSA-N 1 2 298.280 1.280 10 30 CDEELO C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001265905176 944565730 /nfs/dbraw/zinc/56/57/30/944565730.db2.gz CAKGPCFDWZUGGT-VHSXEESVSA-N 1 2 298.280 1.280 10 30 CDEELO Cc1noc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C#CC2CC2)n1 ZINC001496053325 971181158 /nfs/dbraw/zinc/18/11/58/971181158.db2.gz GAZHFQWBMHDSEO-WDEREUQCSA-N 1 2 290.367 1.289 10 30 CDEELO C=C(C)C[NH+]1CCN(C(=O)c2ncccc2C)CC1 ZINC001261279133 946033986 /nfs/dbraw/zinc/03/39/86/946033986.db2.gz OKFAHRXWHJUCTO-UHFFFAOYSA-N 1 2 259.353 1.724 10 30 CDEELO C=C[C@@H](COC)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001261513578 946154723 /nfs/dbraw/zinc/15/47/23/946154723.db2.gz ZQJXBSBVLJLOAH-NSHDSACASA-N 1 2 263.341 1.079 10 30 CDEELO C#C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(F)cc1 ZINC001262567248 946717764 /nfs/dbraw/zinc/71/77/64/946717764.db2.gz MVLXBZKRTIEMRE-ZWNOBZJWSA-N 1 2 269.341 1.523 10 30 CDEELO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001479948952 971501283 /nfs/dbraw/zinc/50/12/83/971501283.db2.gz ZJAROXKFRCHANA-NSHDSACASA-N 1 2 279.340 1.340 10 30 CDEELO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001479948952 971501288 /nfs/dbraw/zinc/50/12/88/971501288.db2.gz ZJAROXKFRCHANA-NSHDSACASA-N 1 2 279.340 1.340 10 30 CDEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CO[C@@H](C)CC)O2 ZINC001280917431 949921927 /nfs/dbraw/zinc/92/19/27/949921927.db2.gz BHLHOMTYGXGZJW-UONOGXRCSA-N 1 2 296.411 1.337 10 30 CDEELO C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC(=O)N1C ZINC001325186724 953765476 /nfs/dbraw/zinc/76/54/76/953765476.db2.gz CWJFOZPLXPILEV-ZDUSSCGKSA-N 1 2 287.363 1.490 10 30 CDEELO C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CC(=O)N1C ZINC001325186724 953765483 /nfs/dbraw/zinc/76/54/83/953765483.db2.gz CWJFOZPLXPILEV-ZDUSSCGKSA-N 1 2 287.363 1.490 10 30 CDEELO O=C(/C=C/c1ccc(F)cc1)C(=O)NCC[NH+]1CC=CC1 ZINC001293808237 954417293 /nfs/dbraw/zinc/41/72/93/954417293.db2.gz WTLXFCRDDGDHGQ-VMPITWQZSA-N 1 2 288.322 1.396 10 30 CDEELO Cn1cc(N2CC[NH+](Cc3cc(C#N)ccn3)CC2)cn1 ZINC001364345842 954483616 /nfs/dbraw/zinc/48/36/16/954483616.db2.gz VDIJSFNNDKPYKL-UHFFFAOYSA-N 1 2 282.351 1.009 10 30 CDEELO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C(C)C ZINC001328464952 955302398 /nfs/dbraw/zinc/30/23/98/955302398.db2.gz RZWVZUONQUBDHO-INIZCTEOSA-N 1 2 270.376 1.991 10 30 CDEELO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C(C)C ZINC001328464952 955302405 /nfs/dbraw/zinc/30/24/05/955302405.db2.gz RZWVZUONQUBDHO-INIZCTEOSA-N 1 2 270.376 1.991 10 30 CDEELO CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)c2cnns2)C1 ZINC001493938447 972140955 /nfs/dbraw/zinc/14/09/55/972140955.db2.gz GCTPRQHEWTYBIL-LBPRGKRZSA-N 1 2 292.408 1.488 10 30 CDEELO CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cnns2)C1 ZINC001493938447 972140960 /nfs/dbraw/zinc/14/09/60/972140960.db2.gz GCTPRQHEWTYBIL-LBPRGKRZSA-N 1 2 292.408 1.488 10 30 CDEELO C=CCOCC(=O)N[C@@H]1C[N@@H+](CC(=C)Cl)CC1(C)C ZINC001330183429 956310545 /nfs/dbraw/zinc/31/05/45/956310545.db2.gz IJBDULZKZFETBT-GFCCVEGCSA-N 1 2 286.803 1.768 10 30 CDEELO C=CCOCC(=O)N[C@@H]1C[N@H+](CC(=C)Cl)CC1(C)C ZINC001330183429 956310556 /nfs/dbraw/zinc/31/05/56/956310556.db2.gz IJBDULZKZFETBT-GFCCVEGCSA-N 1 2 286.803 1.768 10 30 CDEELO CC(C)Cc1noc(C[NH2+][C@H](C)CNC(=O)[C@H](C)C#N)n1 ZINC001366266960 956690663 /nfs/dbraw/zinc/69/06/63/956690663.db2.gz JAECNQGAXKPHPQ-GHMZBOCLSA-N 1 2 293.371 1.022 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC001494410063 972227204 /nfs/dbraw/zinc/22/72/04/972227204.db2.gz DRUASQZTYYHLOV-NSHDSACASA-N 1 2 289.379 1.609 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)C[C@@H](C)c2ccco2)C1 ZINC001494486089 972240744 /nfs/dbraw/zinc/24/07/44/972240744.db2.gz VBNFMQMAWFLXOQ-GFCCVEGCSA-N 1 2 260.337 1.597 10 30 CDEELO C#CCN1CC[NH+](CCNC(=O)CCC2CCCC2)CC1 ZINC001316963539 957153131 /nfs/dbraw/zinc/15/31/31/957153131.db2.gz VBMUZARUTCDIRH-UHFFFAOYSA-N 1 2 291.439 1.324 10 30 CDEELO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC2(C#N)CCCC2)[nH]n1 ZINC001331894673 957320054 /nfs/dbraw/zinc/32/00/54/957320054.db2.gz NRJIAMUDLFIAJZ-CYBMUJFWSA-N 1 2 287.367 1.743 10 30 CDEELO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC2(C#N)CCCC2)[nH]n1 ZINC001331894673 957320061 /nfs/dbraw/zinc/32/00/61/957320061.db2.gz NRJIAMUDLFIAJZ-CYBMUJFWSA-N 1 2 287.367 1.743 10 30 CDEELO C[C@@H]1C[N@@H+](Cc2cnc(C3CC3)o2)C[C@H](C)N1CC#N ZINC001332020914 957403248 /nfs/dbraw/zinc/40/32/48/957403248.db2.gz 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/nfs/dbraw/zinc/92/29/59/291922959.db2.gz LOOAXMKJPNIDPF-GFCCVEGCSA-N 1 2 291.376 1.604 10 30 CDEELO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc[n+]([O-])cc1 ZINC001663355537 1172677675 /nfs/dbraw/zinc/67/76/75/1172677675.db2.gz UIQMSRWPQRZDNQ-UHFFFAOYSA-N 1 2 283.759 1.124 10 30 CDEELO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc[n+]([O-])cc1 ZINC001663355537 1172677678 /nfs/dbraw/zinc/67/76/78/1172677678.db2.gz UIQMSRWPQRZDNQ-UHFFFAOYSA-N 1 2 283.759 1.124 10 30 CDEELO C#CCCCC(=O)NCC[N@@H+](CC)Cc1ccn(C)n1 ZINC001663377039 1172683547 /nfs/dbraw/zinc/68/35/47/1172683547.db2.gz CUVFBNGXHFDBHP-UHFFFAOYSA-N 1 2 276.384 1.162 10 30 CDEELO C#CCCCC(=O)NCC[N@H+](CC)Cc1ccn(C)n1 ZINC001663377039 1172683551 /nfs/dbraw/zinc/68/35/51/1172683551.db2.gz CUVFBNGXHFDBHP-UHFFFAOYSA-N 1 2 276.384 1.162 10 30 CDEELO C[C@@H]1C[NH+](Cc2cnc3ccc(C#N)cn23)C[C@@H](C)O1 ZINC000127041553 390192756 /nfs/dbraw/zinc/19/27/56/390192756.db2.gz TYPNPLQGZVMUNJ-VXGBXAGGSA-N 1 2 270.336 1.815 10 30 CDEELO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@@H](C)O1 ZINC000127041553 390192758 /nfs/dbraw/zinc/19/27/58/390192758.db2.gz TYPNPLQGZVMUNJ-VXGBXAGGSA-N 1 2 270.336 1.815 10 30 CDEELO NC(CCO)=[NH+]OCc1cccc(Br)c1 ZINC000136070347 390940912 /nfs/dbraw/zinc/94/09/12/390940912.db2.gz CAEWNOYJQLCARK-UHFFFAOYSA-N 1 2 273.130 1.620 10 30 CDEELO C=CCNC(=O)C[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647297657 390923684 /nfs/dbraw/zinc/92/36/84/390923684.db2.gz UDPIIWCDWVBNDB-LLVKDONJSA-N 1 2 262.357 1.172 10 30 CDEELO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000373371504 391117574 /nfs/dbraw/zinc/11/75/74/391117574.db2.gz ZKGPPQLBMVRGEK-MGPQQGTHSA-N 1 2 289.379 1.717 10 30 CDEELO C=CCC[C@@H](O)C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000373580715 391124185 /nfs/dbraw/zinc/12/41/85/391124185.db2.gz CXYLRRYFBUDYRN-CQSZACIVSA-N 1 2 265.328 1.656 10 30 CDEELO CCC1(CC)C[N@H+](CCOCCC#N)CC[S@@]1=O ZINC000339094235 391252716 /nfs/dbraw/zinc/25/27/16/391252716.db2.gz GFYISQGCYRYFAG-SFHVURJKSA-N 1 2 272.414 1.540 10 30 CDEELO CCC1(CC)C[N@@H+](CCOCCC#N)CC[S@@]1=O ZINC000339094235 391252719 /nfs/dbraw/zinc/25/27/19/391252719.db2.gz GFYISQGCYRYFAG-SFHVURJKSA-N 1 2 272.414 1.540 10 30 CDEELO C=CCOCC[NH2+][C@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000339112626 391255875 /nfs/dbraw/zinc/25/58/75/391255875.db2.gz MRPACVJPVHTRLH-DOMZBBRYSA-N 1 2 285.384 1.525 10 30 CDEELO C[C@@H](C#N)CN(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000360506292 391661776 /nfs/dbraw/zinc/66/17/76/391661776.db2.gz ZBVYYONVQYQATO-UWVGGRQHSA-N 1 2 261.329 1.068 10 30 CDEELO C[C@@H](C#N)CN(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000360506292 391661783 /nfs/dbraw/zinc/66/17/83/391661783.db2.gz ZBVYYONVQYQATO-UWVGGRQHSA-N 1 2 261.329 1.068 10 30 CDEELO C=CCNC(=O)NC(=O)C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361059231 391678749 /nfs/dbraw/zinc/67/87/49/391678749.db2.gz RJOGFDXFOQBZEL-LLVKDONJSA-N 1 2 273.336 1.575 10 30 CDEELO C=CCNC(=O)NC(=O)C[N@H+]1Cc2ccccc2[C@H]1C ZINC000361059231 391678751 /nfs/dbraw/zinc/67/87/51/391678751.db2.gz RJOGFDXFOQBZEL-LLVKDONJSA-N 1 2 273.336 1.575 10 30 CDEELO COc1cc(C#N)ccc1C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189324309 391749923 /nfs/dbraw/zinc/74/99/23/391749923.db2.gz DJGYBEOWTQKORU-LLVKDONJSA-N 1 2 273.336 1.277 10 30 CDEELO COc1cc(C#N)ccc1C[N@H+]1CCCNC(=O)[C@H]1C ZINC000189324309 391749925 /nfs/dbraw/zinc/74/99/25/391749925.db2.gz DJGYBEOWTQKORU-LLVKDONJSA-N 1 2 273.336 1.277 10 30 CDEELO C#CCOc1ccc(C[NH2+]Cc2cnn(C)n2)cc1 ZINC000289944151 391765125 /nfs/dbraw/zinc/76/51/25/391765125.db2.gz BIBSFPDCPGUDMM-UHFFFAOYSA-N 1 2 256.309 1.117 10 30 CDEELO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000649354350 392090468 /nfs/dbraw/zinc/09/04/68/392090468.db2.gz GVTFBCUKJPZRKV-LSDHHAIUSA-N 1 2 263.337 1.703 10 30 CDEELO C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000649354350 392090473 /nfs/dbraw/zinc/09/04/73/392090473.db2.gz GVTFBCUKJPZRKV-LSDHHAIUSA-N 1 2 263.337 1.703 10 30 CDEELO CC[N@H+](CCOCCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459434548 392438723 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CO[C@@H](C)C[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000312503385 149233268 /nfs/dbraw/zinc/23/32/68/149233268.db2.gz YGRPXJFFYWMEIY-LBPRGKRZSA-N 1 2 296.392 1.299 10 30 CDEELO CO[C@@H](C)C[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000312503385 149233269 /nfs/dbraw/zinc/23/32/69/149233269.db2.gz YGRPXJFFYWMEIY-LBPRGKRZSA-N 1 2 296.392 1.299 10 30 CDEELO N#Cc1cc(F)ccc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000336254717 151393773 /nfs/dbraw/zinc/39/37/73/151393773.db2.gz KBCNWEJXLPTUJD-CYBMUJFWSA-N 1 2 270.254 1.899 10 30 CDEELO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000336254717 151393774 /nfs/dbraw/zinc/39/37/74/151393774.db2.gz KBCNWEJXLPTUJD-CYBMUJFWSA-N 1 2 270.254 1.899 10 30 CDEELO CC(=O)NCC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356063741 157340597 /nfs/dbraw/zinc/34/05/97/157340597.db2.gz WPPLCRWXZGZMNS-UHFFFAOYSA-N 1 2 278.381 1.363 10 30 CDEELO COC(=O)CC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356086062 157348730 /nfs/dbraw/zinc/34/87/30/157348730.db2.gz MRBGAKOPLVJXID-UHFFFAOYSA-N 1 2 279.365 1.790 10 30 CDEELO N#Cc1csc(C[N@H+]2CCC[C@H](CC(N)=O)C2)n1 ZINC000356124119 157364593 /nfs/dbraw/zinc/36/45/93/157364593.db2.gz OTUXFXLPDMHNPT-SECBINFHSA-N 1 2 264.354 1.102 10 30 CDEELO N#Cc1csc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)n1 ZINC000356124119 157364597 /nfs/dbraw/zinc/36/45/97/157364597.db2.gz OTUXFXLPDMHNPT-SECBINFHSA-N 1 2 264.354 1.102 10 30 CDEELO C=C[C@](C)(CC)C(=O)NCC1C[NH+](CC(=O)NC(C)C)C1 ZINC001665328747 1172981237 /nfs/dbraw/zinc/98/12/37/1172981237.db2.gz SJFBMCYEERHBRE-MRXNPFEDSA-N 1 2 295.427 1.161 10 30 CDEELO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC ZINC001665413105 1172992063 /nfs/dbraw/zinc/99/20/63/1172992063.db2.gz NASCVFWUXYKALM-ZOBUZTSGSA-N 1 2 290.407 1.524 10 30 CDEELO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC ZINC001665413105 1172992067 /nfs/dbraw/zinc/99/20/67/1172992067.db2.gz NASCVFWUXYKALM-ZOBUZTSGSA-N 1 2 290.407 1.524 10 30 CDEELO CCNC(=S)NC(=[NH2+])Nc1nc(C)c2ccccc2n1 ZINC000006843261 170248168 /nfs/dbraw/zinc/24/81/68/170248168.db2.gz HPVMGXDVYXWZCS-UHFFFAOYSA-N 1 2 288.380 1.368 10 30 CDEELO C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(N(C)C)n1 ZINC000664571414 413501974 /nfs/dbraw/zinc/50/19/74/413501974.db2.gz GUZXPJZIGJYYBW-TXEJJXNPSA-N 1 2 259.357 1.933 10 30 CDEELO C=C1C[C@H]2CC[C@@H](C1)N2c1nc(N(C)C)nc(C)[nH+]1 ZINC000664571414 413501980 /nfs/dbraw/zinc/50/19/80/413501980.db2.gz GUZXPJZIGJYYBW-TXEJJXNPSA-N 1 2 259.357 1.933 10 30 CDEELO C=CCOCCCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000661277594 413945263 /nfs/dbraw/zinc/94/52/63/413945263.db2.gz ADEKRWUOWQLRSX-VXGBXAGGSA-N 1 2 278.356 1.781 10 30 CDEELO N#Cc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)cc1Cl ZINC000037393487 173173687 /nfs/dbraw/zinc/17/36/87/173173687.db2.gz RBILCIKMXSDVQR-JTQLQIEISA-N 1 2 267.741 1.813 10 30 CDEELO CC[C@H](C)[N@H+](CCOC)C[C@@](C)(C#N)NC1CC1 ZINC000045177563 175323257 /nfs/dbraw/zinc/32/32/57/175323257.db2.gz BQKFLYKJBFBPQV-GXTWGEPZSA-N 1 2 253.390 1.768 10 30 CDEELO CC[C@H](C)[N@@H+](CCOC)C[C@@](C)(C#N)NC1CC1 ZINC000045177563 175323258 /nfs/dbraw/zinc/32/32/58/175323258.db2.gz BQKFLYKJBFBPQV-GXTWGEPZSA-N 1 2 253.390 1.768 10 30 CDEELO C[C@]([NH3+])(C#N)CSc1nnnn1C1CCCC1 ZINC000045218761 175330074 /nfs/dbraw/zinc/33/00/74/175330074.db2.gz UCJJIJXMEBMCCY-JTQLQIEISA-N 1 2 252.347 1.121 10 30 CDEELO COc1cc2c(c(OC)c1)[C@H](C#N)N(CC[NH+](C)C)C2=O ZINC000071680647 176244805 /nfs/dbraw/zinc/24/48/05/176244805.db2.gz WPMZEEFMEGZLMH-LBPRGKRZSA-N 1 2 289.335 1.286 10 30 CDEELO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](CCC)OCC)C1 ZINC001666713496 1173178248 /nfs/dbraw/zinc/17/82/48/1173178248.db2.gz MTVHWOCKUSVJTO-HUUCEWRRSA-N 1 2 298.427 1.585 10 30 CDEELO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](CCC)OCC)C1 ZINC001666713496 1173178252 /nfs/dbraw/zinc/17/82/52/1173178252.db2.gz MTVHWOCKUSVJTO-HUUCEWRRSA-N 1 2 298.427 1.585 10 30 CDEELO N#C[C@@H]1CN(Cc2[nH+]ccn2Cc2ccccc2)CCO1 ZINC000155587130 261104154 /nfs/dbraw/zinc/10/41/54/261104154.db2.gz 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898471321 /nfs/dbraw/zinc/47/13/21/898471321.db2.gz WKIDIIYCAACMEM-UHFFFAOYSA-N 1 2 299.846 1.781 10 30 CDEELO C=C(C)C[NH+]1CC(NC(=O)C2(C(F)F)CCC2)C1 ZINC001267656129 899187377 /nfs/dbraw/zinc/18/73/77/899187377.db2.gz FMBMOEKJBMZUDD-UHFFFAOYSA-N 1 2 258.312 1.798 10 30 CDEELO C=CC[NH+]1CC(NC(=O)CCc2ccc(C)s2)C1 ZINC001267673006 899224217 /nfs/dbraw/zinc/22/42/17/899224217.db2.gz SVFDKBKAZUGAFX-UHFFFAOYSA-N 1 2 264.394 1.976 10 30 CDEELO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)CCCOC)C1 ZINC001267696112 899307480 /nfs/dbraw/zinc/30/74/80/899307480.db2.gz OQQUNSJKWKCDHN-LLVKDONJSA-N 1 2 288.819 1.850 10 30 CDEELO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC=C)CCOCC1 ZINC001267716913 899362918 /nfs/dbraw/zinc/36/29/18/899362918.db2.gz UQUSTTOJRQYSFC-GJZGRUSLSA-N 1 2 288.391 1.278 10 30 CDEELO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC=C)CCOCC1 ZINC001267716913 899362929 /nfs/dbraw/zinc/36/29/29/899362929.db2.gz UQUSTTOJRQYSFC-GJZGRUSLSA-N 1 2 288.391 1.278 10 30 CDEELO 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C=CCC[NH2+]C[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001690707809 1175551215 /nfs/dbraw/zinc/55/12/15/1175551215.db2.gz DDXGFUYYFFQEHA-ZJUUUORDSA-N 1 2 282.281 1.901 10 30 CDEELO C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001690707809 1175551223 /nfs/dbraw/zinc/55/12/23/1175551223.db2.gz DDXGFUYYFFQEHA-ZJUUUORDSA-N 1 2 282.281 1.901 10 30 CDEELO Cc1conc1C[N@H+]1CC[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001698560855 1175840867 /nfs/dbraw/zinc/84/08/67/1175840867.db2.gz CWJDYEQSUDZDIM-CQSZACIVSA-N 1 2 287.363 1.429 10 30 CDEELO Cc1conc1C[N@@H+]1CC[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001698560855 1175840872 /nfs/dbraw/zinc/84/08/72/1175840872.db2.gz CWJDYEQSUDZDIM-CQSZACIVSA-N 1 2 287.363 1.429 10 30 CDEELO C#Cc1ccc(C(=O)NC/C=C/C[NH2+]Cc2cnon2)cc1 ZINC001699291478 1176201213 /nfs/dbraw/zinc/20/12/13/1176201213.db2.gz FSXKDKWCYRFNEL-ONEGZZNKSA-N 1 2 296.330 1.127 10 30 CDEELO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)C(F)(F)F ZINC001699626107 1176524845 /nfs/dbraw/zinc/52/48/45/1176524845.db2.gz 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C=C[C@@H](CC)CC(=O)NC[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001713330762 1178500554 /nfs/dbraw/zinc/50/05/54/1178500554.db2.gz DDKRJBZQQGYTSX-PWSUYJOCSA-N 1 2 280.372 1.575 10 30 CDEELO C=CCC[NH2+][C@@H](CNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001713865627 1178799692 /nfs/dbraw/zinc/79/96/92/1178799692.db2.gz HYVLSZJRCLLNRM-VHSXEESVSA-N 1 2 282.281 1.947 10 30 CDEELO C=CCC[NH2+][C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001713865627 1178799697 /nfs/dbraw/zinc/79/96/97/1178799697.db2.gz HYVLSZJRCLLNRM-VHSXEESVSA-N 1 2 282.281 1.947 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@@H](C)[NH2+]Cc1csnn1 ZINC001714239159 1179039838 /nfs/dbraw/zinc/03/98/38/1179039838.db2.gz YCDTZJDMDYWPAX-SNVBAGLBSA-N 1 2 282.413 1.735 10 30 CDEELO C#CCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC001714604414 1179257678 /nfs/dbraw/zinc/25/76/78/1179257678.db2.gz RVGWGMSGTZVNBD-AWEZNQCLSA-N 1 2 275.352 1.559 10 30 CDEELO C#CCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC001714604414 1179257684 /nfs/dbraw/zinc/25/76/84/1179257684.db2.gz 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C=CC(C)(C)C(=O)N(C)CCC[N@H+](C)Cc1cnon1 ZINC001724851603 1181774921 /nfs/dbraw/zinc/77/49/21/1181774921.db2.gz DLRJNQFANLRXSD-UHFFFAOYSA-N 1 2 280.372 1.562 10 30 CDEELO C=CC(C)(C)C(=O)N(C)CCC[N@@H+](C)Cc1cnon1 ZINC001724851603 1181774927 /nfs/dbraw/zinc/77/49/27/1181774927.db2.gz DLRJNQFANLRXSD-UHFFFAOYSA-N 1 2 280.372 1.562 10 30 CDEELO CCCc1noc(C[NH2+][C@H](C)CNC(=O)C#CC2CC2)n1 ZINC001731591667 1182468087 /nfs/dbraw/zinc/46/80/87/1182468087.db2.gz UFMCBHPRGUIEHD-LLVKDONJSA-N 1 2 290.367 1.030 10 30 CDEELO Cc1nonc1C[NH2+]C/C=C/CNC(=O)C#CC(C)(C)C ZINC001732850515 1183158447 /nfs/dbraw/zinc/15/84/47/1183158447.db2.gz VZASDZCGNZNYAG-AATRIKPKSA-N 1 2 290.367 1.190 10 30 CDEELO C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001732858282 1183161592 /nfs/dbraw/zinc/16/15/92/1183161592.db2.gz BCRDVXQQPHGQGO-JGLYPNHGSA-N 1 2 294.786 1.528 10 30 CDEELO C=CC[NH2+]CC[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001733646523 1183488785 /nfs/dbraw/zinc/48/87/85/1183488785.db2.gz 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C=CCCC(=O)NC[C@@H]1CC[N@H+](Cc2nnc(CC)o2)C1 ZINC001567394681 1168727473 /nfs/dbraw/zinc/72/74/73/1168727473.db2.gz BDXFATJBAJTXCD-LBPRGKRZSA-N 1 2 292.383 1.536 10 30 CDEELO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001266314557 894342901 /nfs/dbraw/zinc/34/29/01/894342901.db2.gz YIJKPLHHKCCGOX-KGLIPLIRSA-N 1 2 295.427 1.163 10 30 CDEELO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001266314557 894342921 /nfs/dbraw/zinc/34/29/21/894342921.db2.gz YIJKPLHHKCCGOX-KGLIPLIRSA-N 1 2 295.427 1.163 10 30 CDEELO Cc1noc([C@@H](C)[NH2+]CCN(C)C(=O)C#CC(C)(C)C)n1 ZINC001267371892 897744583 /nfs/dbraw/zinc/74/45/83/897744583.db2.gz ZAWWSVNUTSRIQF-LLVKDONJSA-N 1 2 292.383 1.537 10 30 CDEELO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCO[C@H]1CC ZINC001480987540 898434206 /nfs/dbraw/zinc/43/42/06/898434206.db2.gz BDZIUPUEEGHNAH-OLZOCXBDSA-N 1 2 288.819 1.992 10 30 CDEELO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCO[C@H]1CC ZINC001480987540 898434210 /nfs/dbraw/zinc/43/42/10/898434210.db2.gz 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C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369147 723706237 /nfs/dbraw/zinc/70/62/37/723706237.db2.gz IZDSZIMSEXOWIY-CYBMUJFWSA-N 1 2 256.309 1.447 10 30 CDEELO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369147 723706238 /nfs/dbraw/zinc/70/62/38/723706238.db2.gz IZDSZIMSEXOWIY-CYBMUJFWSA-N 1 2 256.309 1.447 10 30 CDEELO C[C@H](CC#N)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000834559551 723733201 /nfs/dbraw/zinc/73/32/01/723733201.db2.gz LWMXXCUHCSKILG-NEPJUHHUSA-N 1 2 260.341 1.676 10 30 CDEELO C[C@H]1C[NH+]=C(NN=Cc2cc(Cl)c(O)cc2Cl)N1 ZINC000779805977 723780305 /nfs/dbraw/zinc/78/03/05/723780305.db2.gz XHHYCQGMFQAFER-LURJTMIESA-N 1 2 287.150 1.970 10 30 CDEELO C#CCNC(=O)C[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000847063108 723785208 /nfs/dbraw/zinc/78/52/08/723785208.db2.gz APSOXPXJBOOGTA-UHFFFAOYSA-N 1 2 296.273 1.189 10 30 CDEELO C#CCNC(=O)C[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000847063108 723785209 /nfs/dbraw/zinc/78/52/09/723785209.db2.gz APSOXPXJBOOGTA-UHFFFAOYSA-N 1 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C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cccc(C#N)c1O ZINC000866241200 723696166 /nfs/dbraw/zinc/69/61/66/723696166.db2.gz YRUIKGIGASQRNS-NWDGAFQWSA-N 1 2 287.363 1.925 10 30 CDEELO CN(C)c1cc(COC(=O)c2cc(C#N)ccn2)cc[nH+]1 ZINC000803851079 724049833 /nfs/dbraw/zinc/04/98/33/724049833.db2.gz YBBXYDPBUOVLKK-UHFFFAOYSA-N 1 2 282.303 1.771 10 30 CDEELO C#CC[C@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000826549000 725060167 /nfs/dbraw/zinc/06/01/67/725060167.db2.gz UNJMTLFGHNOWEX-UONOGXRCSA-N 1 2 286.379 1.643 10 30 CDEELO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cccc(C#N)c1O ZINC000866370550 725078802 /nfs/dbraw/zinc/07/88/02/725078802.db2.gz XUYITWMZTVQSQG-ZUZCIYMTSA-N 1 2 273.336 1.583 10 30 CDEELO C#C[C@@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000847358502 725085368 /nfs/dbraw/zinc/08/53/68/725085368.db2.gz RWCBFMXGDCDPNG-CHWSQXEVSA-N 1 2 272.352 1.253 10 30 CDEELO C#CCOc1ccccc1C=NNCCCn1cc[nH+]c1 ZINC000848418464 725113020 /nfs/dbraw/zinc/11/30/20/725113020.db2.gz LCHBNEMOWVEOBG-UHFFFAOYSA-N 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ZINC000898503048 621778732 /nfs/dbraw/zinc/77/87/32/621778732.db2.gz SODKFPVFRRLNKU-GFCCVEGCSA-N 1 2 276.315 1.117 10 30 CDEELO N#Cc1ccnc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)c1 ZINC000898503048 621778734 /nfs/dbraw/zinc/77/87/34/621778734.db2.gz SODKFPVFRRLNKU-GFCCVEGCSA-N 1 2 276.315 1.117 10 30 CDEELO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(C2(CC)CCCC2)no1 ZINC000904114545 626200160 /nfs/dbraw/zinc/20/01/60/626200160.db2.gz VSLMROAIRVZCMY-NSHDSACASA-N 1 2 293.367 1.890 10 30 CDEELO Cn1ccc([C@H]2CCC[N@H+](Cn3cccc(C#N)c3=O)C2)n1 ZINC000905716022 626938054 /nfs/dbraw/zinc/93/80/54/626938054.db2.gz NVCXZRSPVMGNMT-AWEZNQCLSA-N 1 2 297.362 1.291 10 30 CDEELO Cn1ccc([C@H]2CCC[N@@H+](Cn3cccc(C#N)c3=O)C2)n1 ZINC000905716022 626938058 /nfs/dbraw/zinc/93/80/58/626938058.db2.gz NVCXZRSPVMGNMT-AWEZNQCLSA-N 1 2 297.362 1.291 10 30 CDEELO CC#CC[NH2+]Cc1cn(CCCC(C)(F)F)nn1 ZINC000905825327 627000791 /nfs/dbraw/zinc/00/07/91/627000791.db2.gz HESSXLDYKHKXNY-UHFFFAOYSA-N 1 2 256.300 1.826 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000908027410 627981533 /nfs/dbraw/zinc/98/15/33/627981533.db2.gz FMLGVNHXVYWANF-ZDUSSCGKSA-N 1 2 265.401 1.095 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000908027410 627981538 /nfs/dbraw/zinc/98/15/38/627981538.db2.gz FMLGVNHXVYWANF-ZDUSSCGKSA-N 1 2 265.401 1.095 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CC=CCC2)C1 ZINC001699908848 1158824177 /nfs/dbraw/zinc/82/41/77/1158824177.db2.gz PAUPXGPWAALATM-ZDUSSCGKSA-N 1 2 264.369 1.082 10 30 CDEELO C=CCCOCC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001691416560 1159063116 /nfs/dbraw/zinc/06/31/16/1159063116.db2.gz LXNVJXLSURSTLE-GFCCVEGCSA-N 1 2 258.337 1.081 10 30 CDEELO C=CCCOCC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001691416560 1159063124 /nfs/dbraw/zinc/06/31/24/1159063124.db2.gz LXNVJXLSURSTLE-GFCCVEGCSA-N 1 2 258.337 1.081 10 30 CDEELO C=CC[NH+]1CC(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001267651484 1159555476 /nfs/dbraw/zinc/55/54/76/1159555476.db2.gz ZYJAIDIGCYBBKB-SNVBAGLBSA-N 1 2 276.384 1.507 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001271327619 1160323131 /nfs/dbraw/zinc/32/31/31/1160323131.db2.gz XKQXOCYCKLCMRQ-QDMKHBRRSA-N 1 2 292.423 1.552 10 30 CDEELO CN(CCCNC(=O)CSCC#N)c1cccc[nH+]1 ZINC001633061115 1166398858 /nfs/dbraw/zinc/39/88/58/1166398858.db2.gz WMQDREDYEPPBPH-UHFFFAOYSA-N 1 2 278.381 1.281 10 30 CDEELO C=CCNc1ncc(C(=O)NCc2c[nH+]c(CC)[nH]2)s1 ZINC001635610452 1166602577 /nfs/dbraw/zinc/60/25/77/1166602577.db2.gz MGLRZJRFVHFILA-UHFFFAOYSA-N 1 2 291.380 1.957 10 30 CDEELO C=CCNc1ncc(C(=O)NCc2c[nH]c(CC)[nH+]2)s1 ZINC001635610452 1166602581 /nfs/dbraw/zinc/60/25/81/1166602581.db2.gz MGLRZJRFVHFILA-UHFFFAOYSA-N 1 2 291.380 1.957 10 30 CDEELO Cn1cc[nH+]c1CCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC001646989241 1168326564 /nfs/dbraw/zinc/32/65/64/1168326564.db2.gz SUNOSSLPJCCTAX-UHFFFAOYSA-N 1 2 294.358 1.948 10 30 CDEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001566626490 1168360300 /nfs/dbraw/zinc/36/03/00/1168360300.db2.gz OFKCFAIWJUXBCG-NEPJUHHUSA-N 1 2 281.400 1.043 10 30 CDEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001566626490 1168360292 /nfs/dbraw/zinc/36/02/92/1168360292.db2.gz OFKCFAIWJUXBCG-NEPJUHHUSA-N 1 2 281.400 1.043 10 30 CDEELO C=CCCCC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001568294079 1169230057 /nfs/dbraw/zinc/23/00/57/1169230057.db2.gz AXEMZRZISXQWQS-NSHDSACASA-N 1 2 280.372 1.671 10 30 CDEELO C=CCNC(=O)C[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC001650854355 1171262350 /nfs/dbraw/zinc/26/23/50/1171262350.db2.gz FEWGVJPTWQMWQR-SNVBAGLBSA-N 1 2 279.409 1.660 10 30 CDEELO Cn1c[nH+]c(CCNc2cc(F)c(C#N)cc2[N+](=O)[O-])c1 ZINC001655551147 1171703751 /nfs/dbraw/zinc/70/37/51/1171703751.db2.gz XRWBZUSNSRWYGB-UHFFFAOYSA-N 1 2 289.270 1.994 10 30 CDEELO C=CC[NH+](CC=C)Cc1ccc(S(N)(=O)=O)cc1F ZINC001659240173 1172108169 /nfs/dbraw/zinc/10/81/69/1172108169.db2.gz FWRKDTCYIFCOCJ-UHFFFAOYSA-N 1 2 284.356 1.647 10 30 CDEELO C=CCC(C)(C)C(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001583717094 1172778187 /nfs/dbraw/zinc/77/81/87/1172778187.db2.gz QJKYYNCZFWMNNE-GFCCVEGCSA-N 1 2 292.383 1.106 10 30 CDEELO N#CCSCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001691809203 1175630008 /nfs/dbraw/zinc/63/00/08/1175630008.db2.gz NCDRPOUKVGCTGS-CDKDAEDYSA-N 1 2 299.827 1.671 10 30 CDEELO N#CCSCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001691809203 1175630011 /nfs/dbraw/zinc/63/00/11/1175630011.db2.gz NCDRPOUKVGCTGS-CDKDAEDYSA-N 1 2 299.827 1.671 10 30 CDEELO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)CCCOC)C1 ZINC001692252349 1175716905 /nfs/dbraw/zinc/71/69/05/1175716905.db2.gz GRBCQMIGNPTHNL-LBPRGKRZSA-N 1 2 254.374 1.426 10 30 CDEELO C=CC[NH+]1CC(NC(=O)CCOc2ccccc2)C1 ZINC001692264288 1175721483 /nfs/dbraw/zinc/72/14/83/1175721483.db2.gz WURPMPWQXUSOIY-UHFFFAOYSA-N 1 2 260.337 1.442 10 30 CDEELO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C#CC(C)C)[C@H]1C ZINC001692356904 1175746565 /nfs/dbraw/zinc/74/65/65/1175746565.db2.gz CRIBMVCMRBSPKI-OLZOCXBDSA-N 1 2 268.788 1.977 10 30 CDEELO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C#CC(C)C)[C@H]1C ZINC001692356904 1175746570 /nfs/dbraw/zinc/74/65/70/1175746570.db2.gz CRIBMVCMRBSPKI-OLZOCXBDSA-N 1 2 268.788 1.977 10 30 CDEELO C#CCCCCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001699401736 1176365345 /nfs/dbraw/zinc/36/53/45/1176365345.db2.gz IGUHOQAWZAYABW-RYUDHWBXSA-N 1 2 292.383 1.727 10 30 CDEELO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C(CC)CC ZINC001699610697 1176498381 /nfs/dbraw/zinc/49/83/81/1176498381.db2.gz DHECGKURFSBBLE-GXTWGEPZSA-N 1 2 295.427 1.304 10 30 CDEELO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C(CC)CC ZINC001699610697 1176498387 /nfs/dbraw/zinc/49/83/87/1176498387.db2.gz DHECGKURFSBBLE-GXTWGEPZSA-N 1 2 295.427 1.304 10 30 CDEELO Cc1ncoc1C[N@@H+]1CC[C@@H]1CNC(=O)C#CC1CC1 ZINC001699620788 1176516162 /nfs/dbraw/zinc/51/61/62/1176516162.db2.gz ASXBWALOTADWMK-CYBMUJFWSA-N 1 2 273.336 1.087 10 30 CDEELO Cc1ncoc1C[N@H+]1CC[C@@H]1CNC(=O)C#CC1CC1 ZINC001699620788 1176516170 /nfs/dbraw/zinc/51/61/70/1176516170.db2.gz ASXBWALOTADWMK-CYBMUJFWSA-N 1 2 273.336 1.087 10 30 CDEELO C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)CCc2cnn[nH]2)C1 ZINC001699722019 1176587745 /nfs/dbraw/zinc/58/77/45/1176587745.db2.gz SNQMGRJSBXJGLU-LBPRGKRZSA-N 1 2 291.399 1.235 10 30 CDEELO C=CCCC[NH+]1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001699913851 1176681422 /nfs/dbraw/zinc/68/14/22/1176681422.db2.gz MHKVXUUHJWWKEQ-SECBINFHSA-N 1 2 298.280 1.016 10 30 CDEELO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](OC)C1CC1 ZINC001700114204 1176754466 /nfs/dbraw/zinc/75/44/66/1176754466.db2.gz DGWNZGVTXOMKBC-LSDHHAIUSA-N 1 2 296.411 1.195 10 30 CDEELO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](OC)C1CC1 ZINC001700114204 1176754469 /nfs/dbraw/zinc/75/44/69/1176754469.db2.gz DGWNZGVTXOMKBC-LSDHHAIUSA-N 1 2 296.411 1.195 10 30 CDEELO CN(CCC[N@H+](C)Cc1nccn1C)C(=O)C#CC1CC1 ZINC001700185413 1176789304 /nfs/dbraw/zinc/78/93/04/1176789304.db2.gz BTSBMKGVSFSYQK-UHFFFAOYSA-N 1 2 288.395 1.114 10 30 CDEELO CN(CCC[N@@H+](C)Cc1nccn1C)C(=O)C#CC1CC1 ZINC001700185413 1176789311 /nfs/dbraw/zinc/78/93/11/1176789311.db2.gz BTSBMKGVSFSYQK-UHFFFAOYSA-N 1 2 288.395 1.114 10 30 CDEELO C=CC(C)(C)CC(=O)N[C@H]1COC2(C[NH+](CC)C2)C1 ZINC001700209394 1176799693 /nfs/dbraw/zinc/79/96/93/1176799693.db2.gz KVLJHWFCDJSGQP-GFCCVEGCSA-N 1 2 266.385 1.568 10 30 CDEELO CC#CC[N@H+](C)[C@H](C)CNC(=O)c1n[nH]c2ccccc21 ZINC001700487047 1176974952 /nfs/dbraw/zinc/97/49/52/1176974952.db2.gz XOBSXVJUTAOWHD-GFCCVEGCSA-N 1 2 284.363 1.636 10 30 CDEELO CC#CC[N@@H+](C)[C@H](C)CNC(=O)c1n[nH]c2ccccc21 ZINC001700487047 1176974959 /nfs/dbraw/zinc/97/49/59/1176974959.db2.gz XOBSXVJUTAOWHD-GFCCVEGCSA-N 1 2 284.363 1.636 10 30 CDEELO CC#CC[NH2+]C[C@H](CCCC)NC(=O)c1[nH]ncc1F ZINC001700521271 1176993061 /nfs/dbraw/zinc/99/30/61/1176993061.db2.gz UEKYLFPZFXQUBS-NSHDSACASA-N 1 2 280.347 1.450 10 30 CDEELO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC(C)C)C2)C1 ZINC001700564254 1177015949 /nfs/dbraw/zinc/01/59/49/1177015949.db2.gz TVJUWCNVGYLUHL-INIZCTEOSA-N 1 2 280.412 1.912 10 30 CDEELO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCC(C)C)C2)C1 ZINC001700564254 1177015956 /nfs/dbraw/zinc/01/59/56/1177015956.db2.gz TVJUWCNVGYLUHL-INIZCTEOSA-N 1 2 280.412 1.912 10 30 CDEELO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCCCC)C1 ZINC001713058835 1178336680 /nfs/dbraw/zinc/33/66/80/1178336680.db2.gz IYHQARJWCOUOJI-CQSZACIVSA-N 1 2 295.427 1.450 10 30 CDEELO C=CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCCCC)C1 ZINC001713058835 1178336688 /nfs/dbraw/zinc/33/66/88/1178336688.db2.gz IYHQARJWCOUOJI-CQSZACIVSA-N 1 2 295.427 1.450 10 30 CDEELO CC(C)CCCCC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001713077947 1178346455 /nfs/dbraw/zinc/34/64/55/1178346455.db2.gz VMDCJZFCCRPHRC-UHFFFAOYSA-N 1 2 294.443 1.460 10 30 CDEELO C#CCCCC(=O)NC[C@@H](C)[NH2+]Cc1nnc(CC)o1 ZINC001714227688 1179032924 /nfs/dbraw/zinc/03/29/24/1179032924.db2.gz DPVYEERANUTVGG-LLVKDONJSA-N 1 2 278.356 1.030 10 30 CDEELO Cc1nnc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C#CC(C)(C)C)o1 ZINC001714233398 1179035898 /nfs/dbraw/zinc/03/58/98/1179035898.db2.gz UPUYXCAKLLNKTN-WDEREUQCSA-N 1 2 292.383 1.583 10 30 CDEELO C=CCC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1nncs1 ZINC001714277737 1179061431 /nfs/dbraw/zinc/06/14/31/1179061431.db2.gz BETWVISEIIEPSX-JTQLQIEISA-N 1 2 282.413 1.735 10 30 CDEELO C=CCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2nonc2C)C1 ZINC001714430705 1179134512 /nfs/dbraw/zinc/13/45/12/1179134512.db2.gz AEAYAWBYCRYJOD-CYBMUJFWSA-N 1 2 292.383 1.767 10 30 CDEELO C=CCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2nonc2C)C1 ZINC001714430705 1179134516 /nfs/dbraw/zinc/13/45/16/1179134516.db2.gz AEAYAWBYCRYJOD-CYBMUJFWSA-N 1 2 292.383 1.767 10 30 CDEELO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001714558758 1179213911 /nfs/dbraw/zinc/21/39/11/1179213911.db2.gz ZOUDWJSQZSWLGT-ZIAGYGMSSA-N 1 2 295.427 1.163 10 30 CDEELO C=CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001714558758 1179213920 /nfs/dbraw/zinc/21/39/20/1179213920.db2.gz ZOUDWJSQZSWLGT-ZIAGYGMSSA-N 1 2 295.427 1.163 10 30 CDEELO C#Cc1ccc(C(=O)NCC[N@@H+](C)CC(=C)Cl)cn1 ZINC001714571311 1179227497 /nfs/dbraw/zinc/22/74/97/1179227497.db2.gz MTSDBRXIMMOCCI-UHFFFAOYSA-N 1 2 277.755 1.477 10 30 CDEELO C#Cc1ccc(C(=O)NCC[N@H+](C)CC(=C)Cl)cn1 ZINC001714571311 1179227504 /nfs/dbraw/zinc/22/75/04/1179227504.db2.gz MTSDBRXIMMOCCI-UHFFFAOYSA-N 1 2 277.755 1.477 10 30 CDEELO C=CCN1CC[NH+](CCN(C)C(=O)[C@H]2CC=CCC2)CC1 ZINC001714886089 1179436684 /nfs/dbraw/zinc/43/66/84/1179436684.db2.gz XCTOCYDFDMZTEU-INIZCTEOSA-N 1 2 291.439 1.605 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)CCCOc2ccccc2)C1 ZINC001714951120 1179474391 /nfs/dbraw/zinc/47/43/91/1179474391.db2.gz JDQRFYHCZRCGHU-UHFFFAOYSA-N 1 2 286.375 1.669 10 30 CDEELO C=CCCO[C@@H](C)C(=O)NCC1C[NH+](CC(=C)Cl)C1 ZINC001714959902 1179478057 /nfs/dbraw/zinc/47/80/57/1179478057.db2.gz FLPBUFZYSJNZMO-LBPRGKRZSA-N 1 2 286.803 1.768 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001714958801 1179478083 /nfs/dbraw/zinc/47/80/83/1179478083.db2.gz FSUQCCSMYXPTCK-INIZCTEOSA-N 1 2 286.375 1.588 10 30 CDEELO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@H](C)CC)C1 ZINC001715282322 1179609268 /nfs/dbraw/zinc/60/92/68/1179609268.db2.gz ONBZUABVKLZVNK-ZIAGYGMSSA-N 1 2 268.401 1.816 10 30 CDEELO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@H](C)CC)C1 ZINC001715282322 1179609273 /nfs/dbraw/zinc/60/92/73/1179609273.db2.gz ONBZUABVKLZVNK-ZIAGYGMSSA-N 1 2 268.401 1.816 10 30 CDEELO CC#CCCCC(=O)NC/C=C/C[NH2+]Cc1ncc(C)o1 ZINC001716333348 1180159174 /nfs/dbraw/zinc/15/91/74/1180159174.db2.gz WZJKVZMWRNPBMR-BQYQJAHWSA-N 1 2 289.379 1.939 10 30 CDEELO C#CC[N@H+]1CC[C@@H]1CNC(=O)COc1ccc(F)cc1F ZINC001716651617 1180335340 /nfs/dbraw/zinc/33/53/40/1180335340.db2.gz CCMVFVKWJKWWIX-GFCCVEGCSA-N 1 2 294.301 1.167 10 30 CDEELO C#CC[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc(F)cc1F ZINC001716651617 1180335346 /nfs/dbraw/zinc/33/53/46/1180335346.db2.gz CCMVFVKWJKWWIX-GFCCVEGCSA-N 1 2 294.301 1.167 10 30 CDEELO C#CC[N@H+]1CC[C@H]1CNC(=O)COc1ccc(F)cc1F ZINC001716651618 1180336029 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C=CCOCC[NH+]1CC(N(C)C(=O)/C(C)=C\CC)C1 ZINC001269759043 904095984 /nfs/dbraw/zinc/09/59/84/904095984.db2.gz BMTTWBKJKJWMKZ-QPEQYQDCSA-N 1 2 266.385 1.688 10 30 CDEELO C=CCOCC[NH+]1CC(N(C)C(=O)c2cc(C)[nH]c2C)C1 ZINC001269855262 904159782 /nfs/dbraw/zinc/15/97/82/904159782.db2.gz FRBBFLSFPSHMDQ-UHFFFAOYSA-N 1 2 291.395 1.590 10 30 CDEELO C#CC[N@H+]1CC[C@@](C)(NC(=O)C(F)C(F)(F)F)C1 ZINC001270590711 904767508 /nfs/dbraw/zinc/76/75/08/904767508.db2.gz QSRLHJGULSYNLO-WCBMZHEXSA-N 1 2 266.238 1.101 10 30 CDEELO C#CC[N@@H+]1CC[C@@](C)(NC(=O)C(F)C(F)(F)F)C1 ZINC001270590711 904767522 /nfs/dbraw/zinc/76/75/22/904767522.db2.gz QSRLHJGULSYNLO-WCBMZHEXSA-N 1 2 266.238 1.101 10 30 CDEELO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1(COCC)CC1 ZINC001501786435 905354655 /nfs/dbraw/zinc/35/46/55/905354655.db2.gz LGRUMOXSLKJUPW-CQSZACIVSA-N 1 2 296.411 1.196 10 30 CDEELO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1(COCC)CC1 ZINC001501786435 905354672 /nfs/dbraw/zinc/35/46/72/905354672.db2.gz LGRUMOXSLKJUPW-CQSZACIVSA-N 1 2 296.411 1.196 10 30 CDEELO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@](C)(C=C)CC ZINC001501820995 905359228 /nfs/dbraw/zinc/35/92/28/905359228.db2.gz AALFDCXNZMMEPD-GOEBONIOSA-N 1 2 280.412 1.982 10 30 CDEELO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@](C)(C=C)CC ZINC001501820995 905359214 /nfs/dbraw/zinc/35/92/14/905359214.db2.gz AALFDCXNZMMEPD-GOEBONIOSA-N 1 2 280.412 1.982 10 30 CDEELO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)C(F)(F)F)C1 ZINC001483874821 915161721 /nfs/dbraw/zinc/16/17/21/915161721.db2.gz COADZBXEVQZGSY-QMMMGPOBSA-N 1 2 250.264 1.513 10 30 CDEELO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)C(F)(F)F)C1 ZINC001483874820 915162012 /nfs/dbraw/zinc/16/20/12/915162012.db2.gz COADZBXEVQZGSY-MRVPVSSYSA-N 1 2 250.264 1.513 10 30 CDEELO CC[NH+]1CC2(C1)C[C@H](NC(=O)C#CC(C)(C)C)CO2 ZINC001484796617 916173472 /nfs/dbraw/zinc/17/34/72/916173472.db2.gz DPHFNKJNWRPGSX-LBPRGKRZSA-N 1 2 264.369 1.015 10 30 CDEELO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCCF ZINC001484825017 916191565 /nfs/dbraw/zinc/19/15/65/916191565.db2.gz 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CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000595681889 343130868 /nfs/dbraw/zinc/13/08/68/343130868.db2.gz OKTZKDFTNQARKV-UONOGXRCSA-N 1 2 293.411 1.638 10 30 CDEELO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595758497 343143024 /nfs/dbraw/zinc/14/30/24/343143024.db2.gz RBDIXYQXADGBRW-GXFFZTMASA-N 1 2 277.349 1.015 10 30 CDEELO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595758497 343143025 /nfs/dbraw/zinc/14/30/25/343143025.db2.gz RBDIXYQXADGBRW-GXFFZTMASA-N 1 2 277.349 1.015 10 30 CDEELO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000595829137 343168013 /nfs/dbraw/zinc/16/80/13/343168013.db2.gz WUASLQAAJOCOMM-QWHCGFSZSA-N 1 2 277.372 1.118 10 30 CDEELO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000595829137 343168014 /nfs/dbraw/zinc/16/80/14/343168014.db2.gz WUASLQAAJOCOMM-QWHCGFSZSA-N 1 2 277.372 1.118 10 30 CDEELO CC(C)(C)n1nnc(CC[N@@H+]2CC[C@@](C)(C#N)C2)n1 ZINC000595842783 343172744 /nfs/dbraw/zinc/17/27/44/343172744.db2.gz 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N#Cc1ccc(C2(C(=O)N3CCc4[nH]c[nH+]c4C3)CC2)cc1 ZINC000599953338 344157081 /nfs/dbraw/zinc/15/70/81/344157081.db2.gz WLKKVJAETCYIHR-UHFFFAOYSA-N 1 2 292.342 1.898 10 30 CDEELO N#Cc1ccc(C2(C(=O)N3CCc4[nH+]c[nH]c4C3)CC2)cc1 ZINC000599953338 344157084 /nfs/dbraw/zinc/15/70/84/344157084.db2.gz WLKKVJAETCYIHR-UHFFFAOYSA-N 1 2 292.342 1.898 10 30 CDEELO N#Cc1cnc(NCC[NH+]2CCOCC2)c2sccc21 ZINC000601099108 349904713 /nfs/dbraw/zinc/90/47/13/349904713.db2.gz SPMUIJXXINQCGS-UHFFFAOYSA-N 1 2 288.376 1.334 10 30 CDEELO Cc1[nH]n(CCCn2cc[nH+]c2)c(=O)c1CCC#N ZINC000601948997 344302338 /nfs/dbraw/zinc/30/23/38/344302338.db2.gz IIJBWIFFKXNICK-LBPRGKRZSA-N 1 2 259.313 1.411 10 30 CDEELO CN(CCCn1cc[nH+]c1)c1cc(C#N)nc(C2CC2)n1 ZINC000601131976 349913320 /nfs/dbraw/zinc/91/33/20/349913320.db2.gz UEGYNAZIMBPTPX-UHFFFAOYSA-N 1 2 282.351 1.949 10 30 CDEELO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602973575 344678099 /nfs/dbraw/zinc/67/80/99/344678099.db2.gz BVESOXCBZUAGRJ-ZIAGYGMSSA-N 1 2 261.369 1.811 10 30 CDEELO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602973575 344678102 /nfs/dbraw/zinc/67/81/02/344678102.db2.gz BVESOXCBZUAGRJ-ZIAGYGMSSA-N 1 2 261.369 1.811 10 30 CDEELO CN(C)c1c[nH+]ccc1NC(=O)N(CCC#N)CC1CC1 ZINC000619807833 349918497 /nfs/dbraw/zinc/91/84/97/349918497.db2.gz FCWBHOQWJADYPL-UHFFFAOYSA-N 1 2 287.367 1.727 10 30 CDEELO CC[NH2+][C@](C)(C#N)C[C@@H](C)Sc1n[nH]c(=O)n1CC ZINC000084312391 178855472 /nfs/dbraw/zinc/85/54/72/178855472.db2.gz IYKZMMUYRYJYRK-SKDRFNHKSA-N 1 2 283.401 1.354 10 30 CDEELO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(C#N)o1 ZINC000539502481 282459612 /nfs/dbraw/zinc/45/96/12/282459612.db2.gz RAGCFFCUPNDABO-CQSZACIVSA-N 1 2 272.304 1.983 10 30 CDEELO N#CCCn1ccc(NC(=O)Nc2ccc3[nH+]ccn3c2)n1 ZINC000615835121 348841330 /nfs/dbraw/zinc/84/13/30/348841330.db2.gz BZZCYFDKNQZDGQ-UHFFFAOYSA-N 1 2 295.306 1.510 10 30 CDEELO C=CCOc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC000073559590 349169697 /nfs/dbraw/zinc/16/96/97/349169697.db2.gz KHQVSXGGTDMVDJ-UHFFFAOYSA-N 1 2 271.320 1.764 10 30 CDEELO C=CCCn1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)nn1 ZINC000653761335 412549188 /nfs/dbraw/zinc/54/91/88/412549188.db2.gz MIDQYPDXIAMONH-RYUDHWBXSA-N 1 2 250.371 1.544 10 30 CDEELO C=CCCn1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)nn1 ZINC000653761335 412549192 /nfs/dbraw/zinc/54/91/92/412549192.db2.gz MIDQYPDXIAMONH-RYUDHWBXSA-N 1 2 250.371 1.544 10 30 CDEELO C[C@H](Oc1ccccc1C#N)C(=O)NCCn1cc[nH+]c1 ZINC000075697522 350491600 /nfs/dbraw/zinc/49/16/00/350491600.db2.gz BLIJEBPWKSVTAD-LBPRGKRZSA-N 1 2 284.319 1.338 10 30 CDEELO C[N@@H+]1CCO[C@@H](CNc2snc(Cl)c2C#N)C1 ZINC000108945499 186236723 /nfs/dbraw/zinc/23/67/23/186236723.db2.gz LLPKCRJKTMJUEU-ZETCQYMHSA-N 1 2 272.761 1.411 10 30 CDEELO C[N@H+]1CCO[C@@H](CNc2snc(Cl)c2C#N)C1 ZINC000108945499 186236725 /nfs/dbraw/zinc/23/67/25/186236725.db2.gz LLPKCRJKTMJUEU-ZETCQYMHSA-N 1 2 272.761 1.411 10 30 CDEELO N#Cc1ccc(C(=O)NC[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000328621186 351304151 /nfs/dbraw/zinc/30/41/51/351304151.db2.gz HNGQDRPJEXGIBJ-ZDUSSCGKSA-N 1 2 280.331 1.747 10 30 CDEELO O=C(NC[C@@H]1CCn2cc[nH+]c2C1)c1cnn2cccnc12 ZINC000328631401 351309367 /nfs/dbraw/zinc/30/93/67/351309367.db2.gz QVDSBHICYJWRIT-LLVKDONJSA-N 1 2 296.334 1.493 10 30 CDEELO O=C(COC[C@@H]1CCCO1)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328635104 351310593 /nfs/dbraw/zinc/31/05/93/351310593.db2.gz ULPSZOYLBZYMKB-OLZOCXBDSA-N 1 2 293.367 1.598 10 30 CDEELO CC#CC[C@@H](CO)Nc1nc2ccccc2n2c[nH+]cc12 ZINC000624338080 351555384 /nfs/dbraw/zinc/55/53/84/351555384.db2.gz STPCKRVWHHKEGS-LBPRGKRZSA-N 1 2 280.331 1.491 10 30 CDEELO Cc1cc(C#N)nc(N(C)Cc2ccc(N)[nH+]c2)n1 ZINC000342846622 356373856 /nfs/dbraw/zinc/37/38/56/356373856.db2.gz DUWLJZDONDKVAF-UHFFFAOYSA-N 1 2 254.297 1.101 10 30 CDEELO C[N@H+](C[C@@]1(C#N)C[C@@H]1S(C)(=O)=O)C1CCCCC1 ZINC000725263756 538455462 /nfs/dbraw/zinc/45/54/62/538455462.db2.gz FVMNNEVSZJVRIJ-STQMWFEESA-N 1 2 270.398 1.578 10 30 CDEELO C[N@@H+](C[C@@]1(C#N)C[C@@H]1S(C)(=O)=O)C1CCCCC1 ZINC000725263756 538455463 /nfs/dbraw/zinc/45/54/63/538455463.db2.gz FVMNNEVSZJVRIJ-STQMWFEESA-N 1 2 270.398 1.578 10 30 CDEELO Cc1cc(C(=O)NCc2ccc(N(C)C)[nH+]c2)ncc1C#N ZINC000457436502 366377401 /nfs/dbraw/zinc/37/74/01/366377401.db2.gz NUYYKHBJBJMSNJ-UHFFFAOYSA-N 1 2 295.346 1.653 10 30 CDEELO N#Cc1c(N)sc2c1CC[N@@H+](CC1=NOCC1)C2 ZINC001660489263 1172221021 /nfs/dbraw/zinc/22/10/21/1172221021.db2.gz BNPVGWXVSGEOFQ-UHFFFAOYSA-N 1 2 262.338 1.336 10 30 CDEELO N#Cc1c(N)sc2c1CC[N@H+](CC1=NOCC1)C2 ZINC001660489263 1172221028 /nfs/dbraw/zinc/22/10/28/1172221028.db2.gz BNPVGWXVSGEOFQ-UHFFFAOYSA-N 1 2 262.338 1.336 10 30 CDEELO CCCN1CCC[N@H+](Cc2ccc(C#N)o2)CC1=O ZINC000189208024 357983271 /nfs/dbraw/zinc/98/32/71/357983271.db2.gz OCYWSMVYPOURFW-UHFFFAOYSA-N 1 2 261.325 1.596 10 30 CDEELO CCCN1CCC[N@@H+](Cc2ccc(C#N)o2)CC1=O ZINC000189208024 357983273 /nfs/dbraw/zinc/98/32/73/357983273.db2.gz OCYWSMVYPOURFW-UHFFFAOYSA-N 1 2 261.325 1.596 10 30 CDEELO CN=C(NC#N)Nc1ccc(-c2[nH+]c[nH]c2C)cc1 ZINC000029225137 359049571 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N#Cc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC001362786246 971617553 /nfs/dbraw/zinc/61/75/53/971617553.db2.gz DPCLKQSYDCPHEN-SNVBAGLBSA-N 1 2 286.360 1.695 10 30 CDEELO C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC001480346732 971682099 /nfs/dbraw/zinc/68/20/99/971682099.db2.gz XJTHLGGFBZQBKL-GHMZBOCLSA-N 1 2 294.292 1.881 10 30 CDEELO C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001480346732 971682118 /nfs/dbraw/zinc/68/21/18/971682118.db2.gz XJTHLGGFBZQBKL-GHMZBOCLSA-N 1 2 294.292 1.881 10 30 CDEELO CC#CC[NH+]1CCN(C(=O)C[C@@H]2C=CCCC2)CC1 ZINC001480369617 971689684 /nfs/dbraw/zinc/68/96/84/971689684.db2.gz KGFBKSDSDZKVBE-OAHLLOKOSA-N 1 2 260.381 1.900 10 30 CDEELO C=CC[NH2+]C[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001480646571 971824976 /nfs/dbraw/zinc/82/49/76/971824976.db2.gz RUNBZPNHBKTTDA-DTWKUNHWSA-N 1 2 268.254 1.511 10 30 CDEELO C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001480646571 971824981 /nfs/dbraw/zinc/82/49/81/971824981.db2.gz RUNBZPNHBKTTDA-DTWKUNHWSA-N 1 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XMSCGNABRZTOIP-HUUCEWRRSA-N 1 2 292.383 1.234 10 30 CDEELO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)COC)C1 ZINC001494856371 972325020 /nfs/dbraw/zinc/32/50/20/972325020.db2.gz NEQIPAAGSFYOBB-AAEUAGOBSA-N 1 2 288.819 1.944 10 30 CDEELO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)COC)C1 ZINC001494856371 972325024 /nfs/dbraw/zinc/32/50/24/972325024.db2.gz NEQIPAAGSFYOBB-AAEUAGOBSA-N 1 2 288.819 1.944 10 30 CDEELO C[C@@H](CC(=O)N[C@](C)(CNCC#N)C1CC1)n1cc[nH+]c1 ZINC001318719398 958243706 /nfs/dbraw/zinc/24/37/06/958243706.db2.gz NOFPCDPCWPZGPH-SWLSCSKDSA-N 1 2 289.383 1.232 10 30 CDEELO C=CC(C)(C)CC(=O)N[C@@H](C)C[NH2+]Cc1nnc(CC)o1 ZINC001321859632 959988579 /nfs/dbraw/zinc/98/85/79/959988579.db2.gz GEHLUDFCBYTCOT-NSHDSACASA-N 1 2 294.399 1.829 10 30 CDEELO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)CC1CCCCC1 ZINC001323179393 960508984 /nfs/dbraw/zinc/50/89/84/960508984.db2.gz SKMZYGZNIOBRMJ-INIZCTEOSA-N 1 2 292.423 1.797 10 30 CDEELO COCC#CC[N@H+]1CC[C@H]1CNC(=O)CC1CCCCC1 ZINC001323179393 960509000 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CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000092510124 147016657 /nfs/dbraw/zinc/01/66/57/147016657.db2.gz LZORCDQMFVGHCV-AWEZNQCLSA-N 1 2 275.352 1.984 10 30 CDEELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000092510124 147016659 /nfs/dbraw/zinc/01/66/59/147016659.db2.gz LZORCDQMFVGHCV-AWEZNQCLSA-N 1 2 275.352 1.984 10 30 CDEELO COc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)n1 ZINC000115598837 147265040 /nfs/dbraw/zinc/26/50/40/147265040.db2.gz VPDJWTYXIMFGSJ-OAHLLOKOSA-N 1 2 296.330 1.278 10 30 CDEELO CC(C)C(=O)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000335943501 151136862 /nfs/dbraw/zinc/13/68/62/151136862.db2.gz LJLREHDRAMMYLZ-UHFFFAOYSA-N 1 2 277.393 1.920 10 30 CDEELO CC(C)(C(=O)NCc1ccc(C#N)cc1)c1c[nH]c[nH+]1 ZINC000346431277 153183821 /nfs/dbraw/zinc/18/38/21/153183821.db2.gz JSRBNXSMJHASJD-UHFFFAOYSA-N 1 2 268.320 1.875 10 30 CDEELO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)N(C)CC(F)(F)F)C1 ZINC001665184170 1172957959 /nfs/dbraw/zinc/95/79/59/1172957959.db2.gz TZZZATKQAPXMNP-JTQLQIEISA-N 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/nfs/dbraw/zinc/24/47/38/176244738.db2.gz FARZVMQTGVPFIL-CJNGLKHVSA-N 1 2 299.374 1.948 10 30 CDEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@H](C)SC)C1 ZINC001666698981 1173175838 /nfs/dbraw/zinc/17/58/38/1173175838.db2.gz RGYPCDDTRJGYFA-NWDGAFQWSA-N 1 2 272.414 1.131 10 30 CDEELO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@H](C)SC)C1 ZINC001666698981 1173175842 /nfs/dbraw/zinc/17/58/42/1173175842.db2.gz RGYPCDDTRJGYFA-NWDGAFQWSA-N 1 2 272.414 1.131 10 30 CDEELO CC#CCC[N@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000364047121 262120975 /nfs/dbraw/zinc/12/09/75/262120975.db2.gz RFXIAOIBUOYEFF-AWEZNQCLSA-N 1 2 261.369 1.824 10 30 CDEELO CC#CCC[N@@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000364047121 262120973 /nfs/dbraw/zinc/12/09/73/262120973.db2.gz RFXIAOIBUOYEFF-AWEZNQCLSA-N 1 2 261.369 1.824 10 30 CDEELO Cc1cn2cc(NC(=O)C(=O)N(C)[C@H](C)CC#N)ccc2[nH+]1 ZINC000276005161 263034596 /nfs/dbraw/zinc/03/45/96/263034596.db2.gz NCSUWXUGVUXWJM-LLVKDONJSA-N 1 2 299.334 1.342 10 30 CDEELO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000340615277 263229014 /nfs/dbraw/zinc/22/90/14/263229014.db2.gz FEZFCKFSRCMISU-RYUDHWBXSA-N 1 2 292.335 1.389 10 30 CDEELO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000340615277 263229016 /nfs/dbraw/zinc/22/90/16/263229016.db2.gz FEZFCKFSRCMISU-RYUDHWBXSA-N 1 2 292.335 1.389 10 30 CDEELO C=CC(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(C)no1 ZINC001666967939 1173213793 /nfs/dbraw/zinc/21/37/93/1173213793.db2.gz YQHZNBXPHFWMKJ-JTQLQIEISA-N 1 2 280.372 1.527 10 30 CDEELO C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC001667257615 1173250153 /nfs/dbraw/zinc/25/01/53/1173250153.db2.gz MHBLJCDNKDQGIO-MNOVXSKESA-N 1 2 294.292 1.881 10 30 CDEELO C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](F)C(F)(F)F ZINC001667257615 1173250158 /nfs/dbraw/zinc/25/01/58/1173250158.db2.gz MHBLJCDNKDQGIO-MNOVXSKESA-N 1 2 294.292 1.881 10 30 CDEELO Cc1ccc2[nH+]cc(CN3CCN(C4CC4)[C@@H](C#N)C3)n2c1 ZINC000371326149 267390608 /nfs/dbraw/zinc/39/06/08/267390608.db2.gz HWVAEMJEVCHMHJ-HNNXBMFYSA-N 1 2 295.390 1.815 10 30 CDEELO N#Cc1ccc(N2CC[NH+](CC3(F)CC3)CC2)nc1 ZINC000527510044 268235126 /nfs/dbraw/zinc/23/51/26/268235126.db2.gz BTILOQKMUBRPJW-UHFFFAOYSA-N 1 2 260.316 1.577 10 30 CDEELO C=CCCC[NH2+]C[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001669297795 1173533658 /nfs/dbraw/zinc/53/36/58/1173533658.db2.gz RESNBXNKUKYPRU-BDAKNGLRSA-N 1 2 270.270 1.947 10 30 CDEELO C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001669297795 1173533664 /nfs/dbraw/zinc/53/36/64/1173533664.db2.gz RESNBXNKUKYPRU-BDAKNGLRSA-N 1 2 270.270 1.947 10 30 CDEELO CC#CC[N@H+](C)C[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001669815432 1173612875 /nfs/dbraw/zinc/61/28/75/1173612875.db2.gz GSXVIIXGWABEMZ-IUCAKERBSA-N 1 2 268.254 1.347 10 30 CDEELO CC#CC[N@@H+](C)C[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001669815432 1173612881 /nfs/dbraw/zinc/61/28/81/1173612881.db2.gz GSXVIIXGWABEMZ-IUCAKERBSA-N 1 2 268.254 1.347 10 30 CDEELO CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001669815432 1173612886 /nfs/dbraw/zinc/61/28/86/1173612886.db2.gz GSXVIIXGWABEMZ-IUCAKERBSA-N 1 2 268.254 1.347 10 30 CDEELO CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001669815432 1173612892 /nfs/dbraw/zinc/61/28/92/1173612892.db2.gz GSXVIIXGWABEMZ-IUCAKERBSA-N 1 2 268.254 1.347 10 30 CDEELO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[C@@H]1CNCC#N ZINC001669979829 1173639623 /nfs/dbraw/zinc/63/96/23/1173639623.db2.gz FXVUIMNWXLBQJH-OLZOCXBDSA-N 1 2 289.383 1.049 10 30 CDEELO CNc1ccc(C#N)cc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000576290197 317111828 /nfs/dbraw/zinc/11/18/28/317111828.db2.gz BJAYUWVEQUEYTP-UHFFFAOYSA-N 1 2 272.352 1.880 10 30 CDEELO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CCC(C)C ZINC001673028818 1173817997 /nfs/dbraw/zinc/81/79/97/1173817997.db2.gz YFILYHSFLIZWFV-CQSZACIVSA-N 1 2 266.385 1.263 10 30 CDEELO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CCC(C)C ZINC001673028818 1173818001 /nfs/dbraw/zinc/81/80/01/1173818001.db2.gz YFILYHSFLIZWFV-CQSZACIVSA-N 1 2 266.385 1.263 10 30 CDEELO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557378876 327003588 /nfs/dbraw/zinc/00/35/88/327003588.db2.gz WPYRWDSJUQZKCV-SNVBAGLBSA-N 1 2 272.308 1.354 10 30 CDEELO C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565052065 327423548 /nfs/dbraw/zinc/42/35/48/327423548.db2.gz USXIETJPYXYERX-NZUILWFCSA-N 1 2 285.391 1.996 10 30 CDEELO CCN(C[C@@H](C)C#N)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000378374348 329047673 /nfs/dbraw/zinc/04/76/73/329047673.db2.gz ZNSGOEIOKSQWTC-ZDUSSCGKSA-N 1 2 279.384 1.249 10 30 CDEELO C#CCC(C)(C)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000185712188 329330578 /nfs/dbraw/zinc/33/05/78/329330578.db2.gz OVADAGLJJZVXIP-KBPBESRZSA-N 1 2 278.396 1.215 10 30 CDEELO C#CCOCCC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186385723 329343829 /nfs/dbraw/zinc/34/38/29/329343829.db2.gz VAGDGMQGQIJTBO-UHFFFAOYSA-N 1 2 287.363 1.160 10 30 CDEELO C=CC[N@@H+](Cc1cccc(F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000272222075 330084969 /nfs/dbraw/zinc/08/49/69/330084969.db2.gz CFLZCWKNPKNMJJ-GFCCVEGCSA-N 1 2 299.367 1.706 10 30 CDEELO C=CC[N@H+](Cc1cccc(F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000272222075 330084970 /nfs/dbraw/zinc/08/49/70/330084970.db2.gz CFLZCWKNPKNMJJ-GFCCVEGCSA-N 1 2 299.367 1.706 10 30 CDEELO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H](C)CC ZINC001700115879 1176753497 /nfs/dbraw/zinc/75/34/97/1176753497.db2.gz VXXZJISNKZBLTG-KGLIPLIRSA-N 1 2 266.385 1.263 10 30 CDEELO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H](C)CC ZINC001700115879 1176753501 /nfs/dbraw/zinc/75/35/01/1176753501.db2.gz VXXZJISNKZBLTG-KGLIPLIRSA-N 1 2 266.385 1.263 10 30 CDEELO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000668636551 482494686 /nfs/dbraw/zinc/49/46/86/482494686.db2.gz GVWCVOFQLXIEAD-CYBMUJFWSA-N 1 2 286.335 1.744 10 30 CDEELO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000677047194 482520289 /nfs/dbraw/zinc/52/02/89/482520289.db2.gz VQBUFKYZOZUCCB-HNNXBMFYSA-N 1 2 292.354 1.521 10 30 CDEELO C(#Cc1ccccc1)C[NH+]1CCN(c2ncns2)CC1 ZINC000146208254 483011050 /nfs/dbraw/zinc/01/10/50/483011050.db2.gz 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RLVXEOIYWLZTHN-ZDUSSCGKSA-N 1 2 282.347 1.677 10 30 CDEELO N#C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332879215 539049702 /nfs/dbraw/zinc/04/97/02/539049702.db2.gz CFVOLTFQDIFMJD-HBNTYKKESA-N 1 2 273.340 1.258 10 30 CDEELO N#C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332879215 539049703 /nfs/dbraw/zinc/04/97/03/539049703.db2.gz CFVOLTFQDIFMJD-HBNTYKKESA-N 1 2 273.340 1.258 10 30 CDEELO Cn1cnnc1N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000594614350 342928009 /nfs/dbraw/zinc/92/80/09/342928009.db2.gz VHDVHRPBEGFRAQ-UHFFFAOYSA-N 1 2 288.380 1.070 10 30 CDEELO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599351441 344017009 /nfs/dbraw/zinc/01/70/09/344017009.db2.gz FHIGBFNSIBHDIG-HNNXBMFYSA-N 1 2 271.364 1.967 10 30 CDEELO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599351441 344017011 /nfs/dbraw/zinc/01/70/11/344017011.db2.gz FHIGBFNSIBHDIG-HNNXBMFYSA-N 1 2 271.364 1.967 10 30 CDEELO C[C@H](CC#N)[N@H+](C)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595342861 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N#CCC(=O)N1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000566924844 334669716 /nfs/dbraw/zinc/66/97/16/334669716.db2.gz ZEAWIJFZAMSGMQ-CQSZACIVSA-N 1 2 291.395 1.536 10 30 CDEELO C=CC[N@H+]1CC[C@H](N(CCC)C(=O)c2cnns2)C1 ZINC001267536869 1159442993 /nfs/dbraw/zinc/44/29/93/1159442993.db2.gz BPAZBRQQBUKSDS-NSHDSACASA-N 1 2 280.397 1.651 10 30 CDEELO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cnns2)C1 ZINC001267536869 1159442997 /nfs/dbraw/zinc/44/29/97/1159442997.db2.gz BPAZBRQQBUKSDS-NSHDSACASA-N 1 2 280.397 1.651 10 30 CDEELO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](CCC)OC ZINC001699626551 1176523230 /nfs/dbraw/zinc/52/32/30/1176523230.db2.gz LUJMDBWXJYQTFY-STQMWFEESA-N 1 2 252.358 1.015 10 30 CDEELO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CCC)OC ZINC001699626551 1176523237 /nfs/dbraw/zinc/52/32/37/1176523237.db2.gz LUJMDBWXJYQTFY-STQMWFEESA-N 1 2 252.358 1.015 10 30 CDEELO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000668974479 482450197 /nfs/dbraw/zinc/45/01/97/482450197.db2.gz XFCHCSZLQUYXBL-CQSZACIVSA-N 1 2 294.420 1.502 10 30 CDEELO C=CCOCCNc1cc(NCCCC)[nH+]c(N)n1 ZINC000672249452 482528105 /nfs/dbraw/zinc/52/81/05/482528105.db2.gz CJQAOFCSNDVIBH-UHFFFAOYSA-N 1 2 265.361 1.885 10 30 CDEELO C=CCOCCNc1cc(NCCCC)nc(N)[nH+]1 ZINC000672249452 482528110 /nfs/dbraw/zinc/52/81/10/482528110.db2.gz CJQAOFCSNDVIBH-UHFFFAOYSA-N 1 2 265.361 1.885 10 30 CDEELO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000677477488 482680707 /nfs/dbraw/zinc/68/07/07/482680707.db2.gz IGPYTBNMXFSUSV-ZDUSSCGKSA-N 1 2 294.420 1.751 10 30 CDEELO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1OCC[C@H]1CC ZINC001409566604 1160849741 /nfs/dbraw/zinc/84/97/41/1160849741.db2.gz NIQZWPPBEIZNMQ-UPJWGTAASA-N 1 2 288.819 1.991 10 30 CDEELO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1OCC[C@H]1CC ZINC001409566604 1160849745 /nfs/dbraw/zinc/84/97/45/1160849745.db2.gz NIQZWPPBEIZNMQ-UPJWGTAASA-N 1 2 288.819 1.991 10 30 CDEELO C#CCC[NH+]1CC(N(C)C(=O)CSCCC)C1 ZINC001716737417 1180388805 /nfs/dbraw/zinc/38/88/05/1180388805.db2.gz 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C=CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC001480246435 971648194 /nfs/dbraw/zinc/64/81/94/971648194.db2.gz GIDFPWQCQUBRIL-CYBMUJFWSA-N 1 2 291.399 1.110 10 30 CDEELO C=CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC001480246435 971648196 /nfs/dbraw/zinc/64/81/96/971648196.db2.gz GIDFPWQCQUBRIL-CYBMUJFWSA-N 1 2 291.399 1.110 10 30 CDEELO C#CC[NH+]1CCC(C)(CNC(=O)c2[nH]nc(C)c2C)CC1 ZINC001278604120 950404810 /nfs/dbraw/zinc/40/48/10/950404810.db2.gz SSGNLBWNKTZEIQ-UHFFFAOYSA-N 1 2 288.395 1.492 10 30 CDEELO CC#CC[NH+]1CCN(C(=O)C[C@H](C)c2ccncc2)CC1 ZINC001480369823 971690508 /nfs/dbraw/zinc/69/05/08/971690508.db2.gz PUVFWDLPNKGYJQ-HNNXBMFYSA-N 1 2 285.391 1.743 10 30 CDEELO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001324727645 953545853 /nfs/dbraw/zinc/54/58/53/953545853.db2.gz KNOKKCJUHNCCJI-GXSJLCMTSA-N 1 2 282.281 1.901 10 30 CDEELO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001324727645 953545863 /nfs/dbraw/zinc/54/58/63/953545863.db2.gz KNOKKCJUHNCCJI-GXSJLCMTSA-N 1 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/nfs/dbraw/zinc/87/14/95/1173871495.db2.gz QOEYRWSPKQQFCK-ZDUSSCGKSA-N 1 2 278.396 1.405 10 30 CDEELO C#CCCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nc(CC)no1 ZINC001674662549 1173981940 /nfs/dbraw/zinc/98/19/40/1173981940.db2.gz YBBFJXGGKKUVMC-VXGBXAGGSA-N 1 2 292.383 1.418 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001675098203 1174077168 /nfs/dbraw/zinc/07/71/68/1174077168.db2.gz RQOWXECGZPEOGN-UHFFFAOYSA-N 1 2 297.786 1.411 10 30 CDEELO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001690452962 1175474376 /nfs/dbraw/zinc/47/43/76/1175474376.db2.gz PAXKCKACIMHVOH-LBPRGKRZSA-N 1 2 281.400 1.045 10 30 CDEELO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001690452962 1175474377 /nfs/dbraw/zinc/47/43/77/1175474377.db2.gz PAXKCKACIMHVOH-LBPRGKRZSA-N 1 2 281.400 1.045 10 30 CDEELO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001690619678 1175524724 /nfs/dbraw/zinc/52/47/24/1175524724.db2.gz ZNUZAXUWUXVSKL-YGRLFVJLSA-N 1 2 280.372 1.575 10 30 CDEELO C=C(C)CCC(=O)NCC[N@@H+](C)CC(=O)NCC(C)(C)C ZINC001690945063 1175620893 /nfs/dbraw/zinc/62/08/93/1175620893.db2.gz HHTYDBAVJQLZCG-UHFFFAOYSA-N 1 2 297.443 1.553 10 30 CDEELO C=C(C)CCC(=O)NCC[N@H+](C)CC(=O)NCC(C)(C)C ZINC001690945063 1175620896 /nfs/dbraw/zinc/62/08/96/1175620896.db2.gz HHTYDBAVJQLZCG-UHFFFAOYSA-N 1 2 297.443 1.553 10 30 CDEELO C=C(Cl)C[NH+]1CC(CNC(=O)CSCCC)C1 ZINC001692286304 1175724110 /nfs/dbraw/zinc/72/41/10/1175724110.db2.gz HAUQCQKFKLFKOK-UHFFFAOYSA-N 1 2 276.833 1.930 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)C[C@H](C)C2CC2)C1 ZINC001692270449 1175721230 /nfs/dbraw/zinc/72/12/30/1175721230.db2.gz KIPMESTVYNJDCS-LBPRGKRZSA-N 1 2 266.385 1.426 10 30 CDEELO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)C2CC2)C1 ZINC001698782779 1175932567 /nfs/dbraw/zinc/93/25/67/1175932567.db2.gz MYRZWGIOOLLMOV-ZFWWWQNUSA-N 1 2 296.411 1.052 10 30 CDEELO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)C2CC2)C1 ZINC001698782779 1175932572 /nfs/dbraw/zinc/93/25/72/1175932572.db2.gz MYRZWGIOOLLMOV-ZFWWWQNUSA-N 1 2 296.411 1.052 10 30 CDEELO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)C2CC2)C1 ZINC001698782778 1175932599 /nfs/dbraw/zinc/93/25/99/1175932599.db2.gz MYRZWGIOOLLMOV-UKRRQHHQSA-N 1 2 296.411 1.052 10 30 CDEELO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)C2CC2)C1 ZINC001698782778 1175932602 /nfs/dbraw/zinc/93/26/02/1175932602.db2.gz MYRZWGIOOLLMOV-UKRRQHHQSA-N 1 2 296.411 1.052 10 30 CDEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001698789302 1175934751 /nfs/dbraw/zinc/93/47/51/1175934751.db2.gz GOBVYHIREKGAGY-ZIAGYGMSSA-N 1 2 292.379 1.695 10 30 CDEELO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001698789302 1175934752 /nfs/dbraw/zinc/93/47/52/1175934752.db2.gz GOBVYHIREKGAGY-ZIAGYGMSSA-N 1 2 292.379 1.695 10 30 CDEELO CCN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)[C@@H](C)C#N ZINC001699172378 1176125734 /nfs/dbraw/zinc/12/57/34/1176125734.db2.gz BZNTVDWFBXGHIM-NSHDSACASA-N 1 2 290.367 1.650 10 30 CDEELO C=C(C)C(C)(C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C)n1 ZINC001699452855 1176415796 /nfs/dbraw/zinc/41/57/96/1176415796.db2.gz ALRFQVUXONOACP-CYBMUJFWSA-N 1 2 292.427 1.959 10 30 CDEELO C=C(C)C(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001699452855 1176415801 /nfs/dbraw/zinc/41/58/01/1176415801.db2.gz ALRFQVUXONOACP-CYBMUJFWSA-N 1 2 292.427 1.959 10 30 CDEELO C=CCOCC[NH+]1CC(N(C)C(=O)C=C2CCC2)C1 ZINC001699710870 1176577861 /nfs/dbraw/zinc/57/78/61/1176577861.db2.gz PMXZSXFDNLTOEP-UHFFFAOYSA-N 1 2 264.369 1.442 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@@H]1COCC[N@H+]1CC[C@@H](C)F ZINC001700118391 1176756808 /nfs/dbraw/zinc/75/68/08/1176756808.db2.gz HARZYZJHXDRAGQ-CHWSQXEVSA-N 1 2 286.391 1.764 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@@H]1COCC[N@@H+]1CC[C@@H](C)F ZINC001700118391 1176756814 /nfs/dbraw/zinc/75/68/14/1176756814.db2.gz HARZYZJHXDRAGQ-CHWSQXEVSA-N 1 2 286.391 1.764 10 30 CDEELO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@H]1CCCO1)O2 ZINC001700204099 1176797725 /nfs/dbraw/zinc/79/77/25/1176797725.db2.gz ARTSCJUIBZATTE-KGLIPLIRSA-N 1 2 294.395 1.091 10 30 CDEELO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)[C@H]2C)CCC1 ZINC001700883803 1177177607 /nfs/dbraw/zinc/17/76/07/1177177607.db2.gz VXDFNOZEUNJFOA-STQMWFEESA-N 1 2 293.411 1.187 10 30 CDEELO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)[C@H]2C)CCC1 ZINC001700883803 1177177609 /nfs/dbraw/zinc/17/76/09/1177177609.db2.gz VXDFNOZEUNJFOA-STQMWFEESA-N 1 2 293.411 1.187 10 30 CDEELO C=CC[NH2+][C@H]1C[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001713160567 1178405740 /nfs/dbraw/zinc/40/57/40/1178405740.db2.gz POURYSXNIGDMNQ-FXQIFTODSA-N 1 2 254.227 1.310 10 30 CDEELO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001713160567 1178405747 /nfs/dbraw/zinc/40/57/47/1178405747.db2.gz POURYSXNIGDMNQ-FXQIFTODSA-N 1 2 254.227 1.310 10 30 CDEELO C=C(Cl)C[N@H+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001713450809 1178569249 /nfs/dbraw/zinc/56/92/49/1178569249.db2.gz IHOPRTCRVOUPKG-UHFFFAOYSA-N 1 2 266.732 1.300 10 30 CDEELO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001713450809 1178569254 /nfs/dbraw/zinc/56/92/54/1178569254.db2.gz IHOPRTCRVOUPKG-UHFFFAOYSA-N 1 2 266.732 1.300 10 30 CDEELO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001713710540 1178717379 /nfs/dbraw/zinc/71/73/79/1178717379.db2.gz NFXCBXWAJZLRCA-BETUJISGSA-N 1 2 293.411 1.010 10 30 CDEELO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001713710540 1178717384 /nfs/dbraw/zinc/71/73/84/1178717384.db2.gz NFXCBXWAJZLRCA-BETUJISGSA-N 1 2 293.411 1.010 10 30 CDEELO C=CCC[NH2+][C@H](CNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001713865628 1178798873 /nfs/dbraw/zinc/79/88/73/1178798873.db2.gz HYVLSZJRCLLNRM-ZJUUUORDSA-N 1 2 282.281 1.947 10 30 CDEELO C=CCC[NH2+][C@H](CNC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001713865628 1178798878 /nfs/dbraw/zinc/79/88/78/1178798878.db2.gz HYVLSZJRCLLNRM-ZJUUUORDSA-N 1 2 282.281 1.947 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1csnn1 ZINC001714262460 1179054776 /nfs/dbraw/zinc/05/47/76/1179054776.db2.gz SJVBXMRKLXNMNO-VIFPVBQESA-N 1 2 268.386 1.345 10 30 CDEELO C=CC[N@@H+]1CCO[C@@H](CNC(=O)COC2CCCCC2)C1 ZINC001714471084 1179158822 /nfs/dbraw/zinc/15/88/22/1179158822.db2.gz DZSKHXNTIQUTPM-HNNXBMFYSA-N 1 2 296.411 1.339 10 30 CDEELO C=CC[N@H+]1CCO[C@@H](CNC(=O)COC2CCCCC2)C1 ZINC001714471084 1179158827 /nfs/dbraw/zinc/15/88/27/1179158827.db2.gz DZSKHXNTIQUTPM-HNNXBMFYSA-N 1 2 296.411 1.339 10 30 CDEELO CC(C)C[C@@H](CNCC#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001714924770 1179454924 /nfs/dbraw/zinc/45/49/24/1179454924.db2.gz DQDDDAWFGAEGNR-KGLIPLIRSA-N 1 2 291.399 1.478 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)CC2CC(F)(F)C2)C1 ZINC001714940210 1179466577 /nfs/dbraw/zinc/46/65/77/1179466577.db2.gz UBWZEWCUCQZDMY-UHFFFAOYSA-N 1 2 288.338 1.425 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001714949029 1179472001 /nfs/dbraw/zinc/47/20/01/1179472001.db2.gz YDELQXHZMSCSLQ-UONOGXRCSA-N 1 2 264.369 1.036 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)[C@@H](C)[C@@H](C)CC)C1 ZINC001714949684 1179472981 /nfs/dbraw/zinc/47/29/81/1179472981.db2.gz PMUJTIFXUXMNMI-STQMWFEESA-N 1 2 268.401 1.672 10 30 CDEELO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1conc1C ZINC001714985936 1179491175 /nfs/dbraw/zinc/49/11/75/1179491175.db2.gz QHVOTGFUYCZTSW-KBPBESRZSA-N 1 2 275.352 1.734 10 30 CDEELO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1conc1C ZINC001714985936 1179491180 /nfs/dbraw/zinc/49/11/80/1179491180.db2.gz QHVOTGFUYCZTSW-KBPBESRZSA-N 1 2 275.352 1.734 10 30 CDEELO CCN(CC[NH2+]Cc1nc(C2CC2)no1)C(=O)[C@@H](C)C#N ZINC001715724736 1179780036 /nfs/dbraw/zinc/78/00/36/1179780036.db2.gz ZIGIUAVRHBEBTG-JTQLQIEISA-N 1 2 291.355 1.045 10 30 CDEELO C=CC(C)(C)C(=O)N(C)CC[N@@H+](C)Cc1cnnn1CC ZINC001715918651 1179912938 /nfs/dbraw/zinc/91/29/38/1179912938.db2.gz JBMFSDYZKYYWBT-UHFFFAOYSA-N 1 2 293.415 1.400 10 30 CDEELO C=CC(C)(C)C(=O)N(C)CC[N@H+](C)Cc1cnnn1CC ZINC001715918651 1179912946 /nfs/dbraw/zinc/91/29/46/1179912946.db2.gz JBMFSDYZKYYWBT-UHFFFAOYSA-N 1 2 293.415 1.400 10 30 CDEELO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)OCCCC ZINC001716645226 1180325887 /nfs/dbraw/zinc/32/58/87/1180325887.db2.gz KRMUNKVUXKAQCE-STQMWFEESA-N 1 2 252.358 1.015 10 30 CDEELO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)OCCCC ZINC001716645226 1180325896 /nfs/dbraw/zinc/32/58/96/1180325896.db2.gz KRMUNKVUXKAQCE-STQMWFEESA-N 1 2 252.358 1.015 10 30 CDEELO CC(C)(C)C#CC(=O)NCC1([NH2+]Cc2ncccn2)CC1 ZINC001716681210 1180366816 /nfs/dbraw/zinc/36/68/16/1180366816.db2.gz LLRJXANXDYFMLZ-UHFFFAOYSA-N 1 2 286.379 1.265 10 30 CDEELO CN(C(=O)C#CC1CC1)C1C[NH+](C[C@H]2CCCCO2)C1 ZINC001716741239 1180393081 /nfs/dbraw/zinc/39/30/81/1180393081.db2.gz QXVOPQQLKYCHMA-OAHLLOKOSA-N 1 2 276.380 1.112 10 30 CDEELO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001716740611 1180394078 /nfs/dbraw/zinc/39/40/78/1180394078.db2.gz WVPQFWGOLCIZHF-RYUDHWBXSA-N 1 2 288.338 1.233 10 30 CDEELO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001717132285 1180539233 /nfs/dbraw/zinc/53/92/33/1180539233.db2.gz IVXNPPXSYWMYML-GJZGRUSLSA-N 1 2 298.427 1.441 10 30 CDEELO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001717132285 1180539238 /nfs/dbraw/zinc/53/92/38/1180539238.db2.gz IVXNPPXSYWMYML-GJZGRUSLSA-N 1 2 298.427 1.441 10 30 CDEELO C=CC(C)(C)C(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)OC)C2)C1 ZINC001717231575 1180584464 /nfs/dbraw/zinc/58/44/64/1180584464.db2.gz XIUJAPUNVBZMLX-OLZOCXBDSA-N 1 2 296.411 1.193 10 30 CDEELO C=CC(C)(C)C(=O)N(C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001720570951 1181209294 /nfs/dbraw/zinc/20/92/94/1181209294.db2.gz AQOMRJCXQGKXFW-UHFFFAOYSA-N 1 2 292.383 1.129 10 30 CDEELO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001723440572 1181560267 /nfs/dbraw/zinc/56/02/67/1181560267.db2.gz XAVZHWRUHLQYFW-KGLIPLIRSA-N 1 2 280.412 1.509 10 30 CDEELO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001723440572 1181560271 /nfs/dbraw/zinc/56/02/71/1181560271.db2.gz XAVZHWRUHLQYFW-KGLIPLIRSA-N 1 2 280.412 1.509 10 30 CDEELO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(C)CCCOC1 ZINC001723468734 1181571188 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1.537 10 30 CDEELO C=CCN(CCOC)C(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001618625047 1165639318 /nfs/dbraw/zinc/63/93/18/1165639318.db2.gz CNKBCTGJWVISKN-HUUCEWRRSA-N 1 2 298.427 1.537 10 30 CDEELO C#CCOc1cccc(NC(=O)NCc2ccc[nH+]c2N)c1 ZINC001623086805 1165747535 /nfs/dbraw/zinc/74/75/35/1165747535.db2.gz VNUVLSGHDUCBQV-UHFFFAOYSA-N 1 2 296.330 1.998 10 30 CDEELO C=C[C@H](O)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001624433207 1165839783 /nfs/dbraw/zinc/83/97/83/1165839783.db2.gz FCHMXCXASMEZKH-ZDUSSCGKSA-N 1 2 271.320 1.786 10 30 CDEELO C#CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)C(=O)OC ZINC000877582610 1166062067 /nfs/dbraw/zinc/06/20/67/1166062067.db2.gz BYMVTFSJYKWLPP-GDBMZVCRSA-N 1 2 286.375 1.667 10 30 CDEELO C#CCCCCCC[NH+]1CC2(C1)CN(C)C(=O)O2 ZINC000877595472 1166065515 /nfs/dbraw/zinc/06/55/15/1166065515.db2.gz BPWCAKRFNFUPCC-UHFFFAOYSA-N 1 2 250.342 1.707 10 30 CDEELO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000878545924 1166207681 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C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001671183697 1166852650 /nfs/dbraw/zinc/85/26/50/1166852650.db2.gz ZNOMFZPTJPUCFA-HNNXBMFYSA-N 1 2 292.423 1.912 10 30 CDEELO C=C1CCC(C(=O)NC[C@H](C)[NH2+]Cc2nncs2)CC1 ZINC001567051204 1168533491 /nfs/dbraw/zinc/53/34/91/1168533491.db2.gz PHPGPAXJJRUZJE-NSHDSACASA-N 1 2 294.424 1.879 10 30 CDEELO C#CCC[NH+]1CC(N(C)C(=O)C2(CC)CCOCC2)C1 ZINC001569501578 1169901837 /nfs/dbraw/zinc/90/18/37/1169901837.db2.gz HQOGVBAAKGXBFD-UHFFFAOYSA-N 1 2 278.396 1.359 10 30 CDEELO C#CCC[NH2+]CC[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001569981249 1170052826 /nfs/dbraw/zinc/05/28/26/1170052826.db2.gz FRXDWYPXTUERKU-WDEREUQCSA-N 1 2 294.292 1.738 10 30 CDEELO C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001569981249 1170052830 /nfs/dbraw/zinc/05/28/30/1170052830.db2.gz FRXDWYPXTUERKU-WDEREUQCSA-N 1 2 294.292 1.738 10 30 CDEELO C#C[C@H](CO)[NH2+]Cc1c(C)nn(-c2ccccn2)c1Cl ZINC001659753189 1172134022 /nfs/dbraw/zinc/13/40/22/1172134022.db2.gz 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C=C(C)C[NH2+]C[C@@H](NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001723300332 1181535538 /nfs/dbraw/zinc/53/55/38/1181535538.db2.gz KGUTVBFMGIVHFY-NXEZZACHSA-N 1 2 282.281 1.947 10 30 CDEELO C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001723300332 1181535541 /nfs/dbraw/zinc/53/55/41/1181535541.db2.gz KGUTVBFMGIVHFY-NXEZZACHSA-N 1 2 282.281 1.947 10 30 CDEELO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2cnon2)[C@H](C)C1 ZINC001724991822 1181815878 /nfs/dbraw/zinc/81/58/78/1181815878.db2.gz IKTOORKXMSFQHR-OLZOCXBDSA-N 1 2 292.383 1.895 10 30 CDEELO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cnon2)[C@H](C)C1 ZINC001724991822 1181815886 /nfs/dbraw/zinc/81/58/86/1181815886.db2.gz IKTOORKXMSFQHR-OLZOCXBDSA-N 1 2 292.383 1.895 10 30 CDEELO C[C@H](CC(=O)N(C)[C@@H](CNCC#N)C1CC1)n1cc[nH+]c1 ZINC001725466018 1182010013 /nfs/dbraw/zinc/01/00/13/1182010013.db2.gz GENIMURNJJLXHC-OCCSQVGLSA-N 1 2 289.383 1.184 10 30 CDEELO C#CCC[N@H+](CCC)CCNC(=O)C(F)C(F)(F)F ZINC001731865337 1182636190 /nfs/dbraw/zinc/63/61/90/1182636190.db2.gz YYQPWVWWGXZGAO-JTQLQIEISA-N 1 2 282.281 1.738 10 30 CDEELO C#CCC[N@@H+](CCC)CCNC(=O)C(F)C(F)(F)F ZINC001731865337 1182636195 /nfs/dbraw/zinc/63/61/95/1182636195.db2.gz YYQPWVWWGXZGAO-JTQLQIEISA-N 1 2 282.281 1.738 10 30 CDEELO C#CCC[N@H+](CCC)CCNC(=O)[C@H](F)C(F)(F)F ZINC001731865337 1182636205 /nfs/dbraw/zinc/63/62/05/1182636205.db2.gz YYQPWVWWGXZGAO-JTQLQIEISA-N 1 2 282.281 1.738 10 30 CDEELO C#CCC[N@@H+](CCC)CCNC(=O)[C@H](F)C(F)(F)F ZINC001731865337 1182636209 /nfs/dbraw/zinc/63/62/09/1182636209.db2.gz YYQPWVWWGXZGAO-JTQLQIEISA-N 1 2 282.281 1.738 10 30 CDEELO C=CCN1CC[NH+](CCN(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001732061979 1182744285 /nfs/dbraw/zinc/74/42/85/1182744285.db2.gz AVAXMDQGIGNCRA-ZSHCYNCHSA-N 1 2 291.439 1.295 10 30 CDEELO N#CCSCC(=O)NC1C[NH+](CCc2ccccc2)C1 ZINC001732094720 1182762473 /nfs/dbraw/zinc/76/24/73/1182762473.db2.gz ZZVQMSHNHYKRAM-UHFFFAOYSA-N 1 2 289.404 1.286 10 30 CDEELO C#CCCCC(=O)NCC1C[NH+](Cc2cncs2)C1 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C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001698789301 1175933991 /nfs/dbraw/zinc/93/39/91/1175933991.db2.gz GOBVYHIREKGAGY-UONOGXRCSA-N 1 2 292.379 1.695 10 30 CDEELO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001698789301 1175933995 /nfs/dbraw/zinc/93/39/95/1175933995.db2.gz GOBVYHIREKGAGY-UONOGXRCSA-N 1 2 292.379 1.695 10 30 CDEELO C#CCCCC(=O)NCC1([NH2+]Cc2nnc(C)s2)CC1 ZINC001699649764 1176547570 /nfs/dbraw/zinc/54/75/70/1176547570.db2.gz BTWBRRRXRZDBIG-UHFFFAOYSA-N 1 2 292.408 1.388 10 30 CDEELO C=CCC(C)(C)C(=O)NCC1(O)C[NH+](C[C@H](CC)OC)C1 ZINC001699921006 1176684014 /nfs/dbraw/zinc/68/40/14/1176684014.db2.gz NALXNSJQKDAQDV-ZDUSSCGKSA-N 1 2 298.427 1.177 10 30 CDEELO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001700112856 1176752685 /nfs/dbraw/zinc/75/26/85/1176752685.db2.gz IOMJNQPRGBDBQU-GJZGRUSLSA-N 1 2 296.411 1.195 10 30 CDEELO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001700112856 1176752688 /nfs/dbraw/zinc/75/26/88/1176752688.db2.gz IOMJNQPRGBDBQU-GJZGRUSLSA-N 1 2 296.411 1.195 10 30 CDEELO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](OC)C1CC1 ZINC001700114203 1176754800 /nfs/dbraw/zinc/75/48/00/1176754800.db2.gz DGWNZGVTXOMKBC-HUUCEWRRSA-N 1 2 296.411 1.195 10 30 CDEELO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](OC)C1CC1 ZINC001700114203 1176754804 /nfs/dbraw/zinc/75/48/04/1176754804.db2.gz DGWNZGVTXOMKBC-HUUCEWRRSA-N 1 2 296.411 1.195 10 30 CDEELO C=C[C@](C)(O)CC(=O)N[C@H](C)C1C[NH+](CC(=C)Cl)C1 ZINC001700537171 1177004517 /nfs/dbraw/zinc/00/45/17/1177004517.db2.gz JZOCTXZDKBIONE-RISCZKNCSA-N 1 2 286.803 1.503 10 30 CDEELO CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001701018973 1177242286 /nfs/dbraw/zinc/24/22/86/1177242286.db2.gz KVEPNJZTUHURGS-UDNWOFFPSA-N 1 2 280.265 1.489 10 30 CDEELO CC#CC[NH2+]C1CC(N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001701018973 1177242278 /nfs/dbraw/zinc/24/22/78/1177242278.db2.gz KVEPNJZTUHURGS-UDNWOFFPSA-N 1 2 280.265 1.489 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001704787465 1177776552 /nfs/dbraw/zinc/77/65/52/1177776552.db2.gz YKJYSSQSRCJANJ-NSHDSACASA-N 1 2 292.383 1.033 10 30 CDEELO CCc1noc([C@@H](C)[N@H+](C)CCCNC(=O)[C@@H](C)C#N)n1 ZINC001712939118 1178252199 /nfs/dbraw/zinc/25/21/99/1178252199.db2.gz FQYDXHUFWFDGSG-WDEREUQCSA-N 1 2 293.371 1.291 10 30 CDEELO CCc1noc([C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H](C)C#N)n1 ZINC001712939118 1178252204 /nfs/dbraw/zinc/25/22/04/1178252204.db2.gz FQYDXHUFWFDGSG-WDEREUQCSA-N 1 2 293.371 1.291 10 30 CDEELO C=CCC1(C(=O)NC2C[NH+](CCOC(C)C)C2)CCC1 ZINC001713835688 1178784838 /nfs/dbraw/zinc/78/48/38/1178784838.db2.gz GMIJDCNFZCJHGY-UHFFFAOYSA-N 1 2 280.412 1.958 10 30 CDEELO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CCOCC(C)C)C1 ZINC001714462260 1179151342 /nfs/dbraw/zinc/15/13/42/1179151342.db2.gz SKOYUZBSKLFKNI-AWEZNQCLSA-N 1 2 284.400 1.052 10 30 CDEELO C=CC[N@H+]1CCO[C@@H](CNC(=O)CCOCC(C)C)C1 ZINC001714462260 1179151344 /nfs/dbraw/zinc/15/13/44/1179151344.db2.gz SKOYUZBSKLFKNI-AWEZNQCLSA-N 1 2 284.400 1.052 10 30 CDEELO CC(C)C[C@H](CNCC#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001714924771 1179453864 /nfs/dbraw/zinc/45/38/64/1179453864.db2.gz DQDDDAWFGAEGNR-UONOGXRCSA-N 1 2 291.399 1.478 10 30 CDEELO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](OCC)C2CC2)C1 ZINC001715281705 1179608890 /nfs/dbraw/zinc/60/88/90/1179608890.db2.gz SEUXXSLGMGFHTR-HUUCEWRRSA-N 1 2 296.411 1.195 10 30 CDEELO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](OCC)C2CC2)C1 ZINC001715281705 1179608893 /nfs/dbraw/zinc/60/88/93/1179608893.db2.gz SEUXXSLGMGFHTR-HUUCEWRRSA-N 1 2 296.411 1.195 10 30 CDEELO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)COCCC ZINC001716015782 1179988966 /nfs/dbraw/zinc/98/89/66/1179988966.db2.gz MKQTXJISPYGZMD-NSHDSACASA-N 1 2 262.781 1.602 10 30 CDEELO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)COCCC ZINC001716015782 1179988972 /nfs/dbraw/zinc/98/89/72/1179988972.db2.gz MKQTXJISPYGZMD-NSHDSACASA-N 1 2 262.781 1.602 10 30 CDEELO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)/C=C/C(C)(C)C ZINC001716645871 1180327520 /nfs/dbraw/zinc/32/75/20/1180327520.db2.gz BZBCDEBMVQIIDP-KGXGESDWSA-N 1 2 278.396 1.429 10 30 CDEELO COCC#CC[N@H+]1CC[C@H]1CNC(=O)/C=C/C(C)(C)C ZINC001716645871 1180327529 /nfs/dbraw/zinc/32/75/29/1180327529.db2.gz BZBCDEBMVQIIDP-KGXGESDWSA-N 1 2 278.396 1.429 10 30 CDEELO C=C(C)C(C)(C)C(=O)N(C)C1C[NH+](CCn2cccn2)C1 ZINC001716745141 1180396275 /nfs/dbraw/zinc/39/62/75/1180396275.db2.gz BTDSSHICKLYFOE-UHFFFAOYSA-N 1 2 290.411 1.628 10 30 CDEELO C=CC[NH+]1CC(N(C)C(=O)CCc2cscn2)C1 ZINC001716754396 1180401237 /nfs/dbraw/zinc/40/12/37/1180401237.db2.gz LSJATARHQXMNHY-UHFFFAOYSA-N 1 2 265.382 1.404 10 30 CDEELO C=C(C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001716842746 1180436688 /nfs/dbraw/zinc/43/66/88/1180436688.db2.gz MYMTXBUNRFTETR-OAHLLOKOSA-N 1 2 291.399 1.252 10 30 CDEELO C=C(C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001716842746 1180436691 /nfs/dbraw/zinc/43/66/91/1180436691.db2.gz MYMTXBUNRFTETR-OAHLLOKOSA-N 1 2 291.399 1.252 10 30 CDEELO C#CC[N@H+]1CCC[C@](CO)(NC(=O)c2ccc(Cl)o2)C1 ZINC001717019966 1180504090 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C=CCCC(=O)NCC1([NH2+]Cc2cnn(CC)n2)CC1 ZINC001723501693 1181579857 /nfs/dbraw/zinc/57/98/57/1181579857.db2.gz YNGWMAICDCJCRL-UHFFFAOYSA-N 1 2 277.372 1.003 10 30 CDEELO CC/C=C/CC[NH+]1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001724870562 1181781916 /nfs/dbraw/zinc/78/19/16/1181781916.db2.gz NRGSPSGCDOJVNC-ISZGNANSSA-N 1 2 291.395 1.416 10 30 CDEELO C#CCO[C@@H](C)C(=O)N[C@H](C)C1C[NH+](CC(=C)Cl)C1 ZINC001725246450 1181935748 /nfs/dbraw/zinc/93/57/48/1181935748.db2.gz HVMZIMIEXBKXEE-NEPJUHHUSA-N 1 2 284.787 1.214 10 30 CDEELO C[C@H](CN(C)C(=O)C#CC(C)(C)C)[NH2+]Cc1csnn1 ZINC001725479917 1182017198 /nfs/dbraw/zinc/01/71/98/1182017198.db2.gz HNBXESILCYQZBU-LLVKDONJSA-N 1 2 294.424 1.524 10 30 CDEELO C=C1CC(C)(C(=O)N(C)C[C@H](C)[NH2+]Cc2nc(C)no2)C1 ZINC001725506795 1182028578 /nfs/dbraw/zinc/02/85/78/1182028578.db2.gz NRWXOUGTFOUASA-NSHDSACASA-N 1 2 292.383 1.671 10 30 CDEELO C=CC[N@H+](CC)CCCNC(=O)C(F)C(F)(F)F ZINC001731309817 1182310610 /nfs/dbraw/zinc/31/06/10/1182310610.db2.gz 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ZINC001142222169 936992239 /nfs/dbraw/zinc/99/22/39/936992239.db2.gz NOWMORHTQVGCGT-SNVBAGLBSA-N 1 2 252.318 1.046 10 30 CDEELO C=CC[N@H+]1CCC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001490435830 927180649 /nfs/dbraw/zinc/18/06/49/927180649.db2.gz QZJPEPGQYSTSHV-IUCAKERBSA-N 1 2 268.254 1.653 10 30 CDEELO C=CC[N@@H+]1CCC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001490435830 927180654 /nfs/dbraw/zinc/18/06/54/927180654.db2.gz QZJPEPGQYSTSHV-IUCAKERBSA-N 1 2 268.254 1.653 10 30 CDEELO C#CCN1CC[NH+](CCNC(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC001490492860 927191403 /nfs/dbraw/zinc/19/14/03/927191403.db2.gz AZESWYPUHZDKOW-HZPDHXFCSA-N 1 2 291.439 1.180 10 30 CDEELO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2nc(F)ccc21 ZINC000857894769 928769246 /nfs/dbraw/zinc/76/92/46/928769246.db2.gz NZUGHACOGMUMIU-ZDUSSCGKSA-N 1 2 273.311 1.207 10 30 CDEELO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2nc(F)ccc21 ZINC000857894769 928769252 /nfs/dbraw/zinc/76/92/52/928769252.db2.gz NZUGHACOGMUMIU-ZDUSSCGKSA-N 1 2 273.311 1.207 10 30 CDEELO C=CCO[C@H]1CC[N@@H+](Cc2c(Cl)nc(OC)n2C)C1 ZINC001116555648 937456032 /nfs/dbraw/zinc/45/60/32/937456032.db2.gz SNIPFPBNJSFAFY-JTQLQIEISA-N 1 2 285.775 1.859 10 30 CDEELO C=CCO[C@H]1CC[N@H+](Cc2c(Cl)nc(OC)n2C)C1 ZINC001116555648 937456033 /nfs/dbraw/zinc/45/60/33/937456033.db2.gz SNIPFPBNJSFAFY-JTQLQIEISA-N 1 2 285.775 1.859 10 30 CDEELO C#C[C@@H](C)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000822081642 931120439 /nfs/dbraw/zinc/12/04/39/931120439.db2.gz GGNSHKDFQPNLDQ-RKDXNWHRSA-N 1 2 259.231 1.515 10 30 CDEELO CCn1nc(C)c(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)n1 ZINC000844371262 931585307 /nfs/dbraw/zinc/58/53/07/931585307.db2.gz MCHGSLZKILJKOA-INIZCTEOSA-N 1 2 299.378 1.644 10 30 CDEELO CCn1nc(C)c(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)n1 ZINC000844371262 931585313 /nfs/dbraw/zinc/58/53/13/931585313.db2.gz MCHGSLZKILJKOA-INIZCTEOSA-N 1 2 299.378 1.644 10 30 CDEELO C=CCCC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)c1ncccn1 ZINC001275779944 932022750 /nfs/dbraw/zinc/02/27/50/932022750.db2.gz AHKABVDDSUOKGF-STQMWFEESA-N 1 2 276.384 1.940 10 30 CDEELO C=CCCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)c1ncccn1 ZINC001275779944 932022759 /nfs/dbraw/zinc/02/27/59/932022759.db2.gz AHKABVDDSUOKGF-STQMWFEESA-N 1 2 276.384 1.940 10 30 CDEELO C#CC[C@H]([NH2+][C@@H](C)CC(C)(C)CC(=O)OC)C(=O)OC ZINC001118639983 937649795 /nfs/dbraw/zinc/64/97/95/937649795.db2.gz DMZYDVYXTNBRTL-RYUDHWBXSA-N 1 2 283.368 1.509 10 30 CDEELO CC(C)C1(O)CC[NH+](Cc2ccncc2C#N)CC1 ZINC001460956367 935942680 /nfs/dbraw/zinc/94/26/80/935942680.db2.gz VYYBWYSCAZVDSQ-UHFFFAOYSA-N 1 2 259.353 1.936 10 30 CDEELO C#Cc1cccc(NC(=O)NCc2ccc[nH+]c2N)c1 ZINC001214234592 940809765 /nfs/dbraw/zinc/80/97/65/940809765.db2.gz NUOGNTDHGOMKNA-UHFFFAOYSA-N 1 2 266.304 1.967 10 30 CDEELO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)CC#CC)c1 ZINC001473509993 970810032 /nfs/dbraw/zinc/81/00/32/970810032.db2.gz IECBEINDTMAQHO-UHFFFAOYSA-N 1 2 283.331 1.271 10 30 CDEELO C#Cc1cccc(NC(=O)NC(=O)C[N@H+](C)CC#CC)c1 ZINC001473509993 970810038 /nfs/dbraw/zinc/81/00/38/970810038.db2.gz IECBEINDTMAQHO-UHFFFAOYSA-N 1 2 283.331 1.271 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001276862492 941655836 /nfs/dbraw/zinc/65/58/36/941655836.db2.gz VSTLECVYZIOFOC-CQSZACIVSA-N 1 2 290.411 1.713 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001276862492 941655838 /nfs/dbraw/zinc/65/58/38/941655838.db2.gz VSTLECVYZIOFOC-CQSZACIVSA-N 1 2 290.411 1.713 10 30 CDEELO C=CC(C)(C)CC(=O)NCC1([NH2+]Cc2ncccn2)CC1 ZINC001277065649 941901589 /nfs/dbraw/zinc/90/15/89/941901589.db2.gz GNJDOHLXQOZGQX-UHFFFAOYSA-N 1 2 288.395 1.817 10 30 CDEELO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)C(C)C)CO2 ZINC001280962794 942511885 /nfs/dbraw/zinc/51/18/85/942511885.db2.gz SYIUNJPXRUQVIY-ZIAGYGMSSA-N 1 2 280.412 1.814 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001283759742 942986925 /nfs/dbraw/zinc/98/69/25/942986925.db2.gz KMFRWAVEGIHEFT-NSHDSACASA-N 1 2 297.424 1.312 10 30 CDEELO C=C(C)CCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)[C@H]1C ZINC001283881682 943018405 /nfs/dbraw/zinc/01/84/05/943018405.db2.gz NWRSQJDECHNPDX-YPMHNXCESA-N 1 2 292.383 1.813 10 30 CDEELO CC(C)C[C@@H](C(=O)N(C)C[C@@H](C)NCC#N)n1cc[nH+]c1 ZINC001277853049 943822605 /nfs/dbraw/zinc/82/26/05/943822605.db2.gz BHBPGTTVFYPFSC-KGLIPLIRSA-N 1 2 291.399 1.430 10 30 CDEELO C#C[C@@H](C)N(C)c1nnc(C[NH+]2CCCC2)n1CC1CC1 ZINC001263682673 943940006 /nfs/dbraw/zinc/94/00/06/943940006.db2.gz YOISEMDWFXHJQB-CYBMUJFWSA-N 1 2 287.411 1.742 10 30 CDEELO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001263805110 943981320 /nfs/dbraw/zinc/98/13/20/943981320.db2.gz LOXVXSYSRWZRPC-ZDUSSCGKSA-N 1 2 295.427 1.210 10 30 CDEELO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001263805110 943981327 /nfs/dbraw/zinc/98/13/27/943981327.db2.gz LOXVXSYSRWZRPC-ZDUSSCGKSA-N 1 2 295.427 1.210 10 30 CDEELO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001263805109 943981357 /nfs/dbraw/zinc/98/13/57/943981357.db2.gz LOXVXSYSRWZRPC-CYBMUJFWSA-N 1 2 295.427 1.210 10 30 CDEELO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001263805109 943981361 /nfs/dbraw/zinc/98/13/61/943981361.db2.gz LOXVXSYSRWZRPC-CYBMUJFWSA-N 1 2 295.427 1.210 10 30 CDEELO C#Cc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1 ZINC001474773685 971050547 /nfs/dbraw/zinc/05/05/47/971050547.db2.gz CVDTWRSLVDHYOJ-UHFFFAOYSA-N 1 2 289.360 1.233 10 30 CDEELO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001265223074 944285856 /nfs/dbraw/zinc/28/58/56/944285856.db2.gz PRIKIXBTAOYMMM-CQSZACIVSA-N 1 2 290.363 1.432 10 30 CDEELO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001265223074 944285864 /nfs/dbraw/zinc/28/58/64/944285864.db2.gz PRIKIXBTAOYMMM-CQSZACIVSA-N 1 2 290.363 1.432 10 30 CDEELO C#CCCCC(=O)NC[C@@H](C)[NH2+]Cc1nc(CC)no1 ZINC001265768967 944499822 /nfs/dbraw/zinc/49/98/22/944499822.db2.gz LRVMBWKEVJUDFZ-LLVKDONJSA-N 1 2 278.356 1.030 10 30 CDEELO CCc1nnc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C#CC2CC2)o1 ZINC001265773552 944504410 /nfs/dbraw/zinc/50/44/10/944504410.db2.gz YEIQIWYWIHVCQP-WDEREUQCSA-N 1 2 290.367 1.201 10 30 CDEELO C=CCCC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)c2nc(C)no2)C1 ZINC001278369468 947184306 /nfs/dbraw/zinc/18/43/06/947184306.db2.gz UIQCWLBEXLNQFH-ABAIWWIYSA-N 1 2 292.383 1.986 10 30 CDEELO C=CCCC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)c2nc(C)no2)C1 ZINC001278369468 947184313 /nfs/dbraw/zinc/18/43/13/947184313.db2.gz UIQCWLBEXLNQFH-ABAIWWIYSA-N 1 2 292.383 1.986 10 30 CDEELO C=C1CC(C)(C(=O)NCC2(O)C[NH+](CC[C@H](C)F)C2)C1 ZINC001278906931 948181729 /nfs/dbraw/zinc/18/17/29/948181729.db2.gz IKDUHUZSVMDHTC-LBPRGKRZSA-N 1 2 284.375 1.254 10 30 CDEELO C#CC[NH2+][C@@H](CNC(=O)c1cnn[nH]1)c1ccccc1CC ZINC001278969078 948434449 /nfs/dbraw/zinc/43/44/49/948434449.db2.gz DJRKPCYTXUREKX-AWEZNQCLSA-N 1 2 297.362 1.061 10 30 CDEELO N#C[C@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001362776786 971611798 /nfs/dbraw/zinc/61/17/98/971611798.db2.gz MPDUGLHYDMVTPA-UKRRQHHQSA-N 1 2 285.347 1.196 10 30 CDEELO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001480523116 971768000 /nfs/dbraw/zinc/76/80/00/971768000.db2.gz WNHYTJNGTAOOPU-PWSUYJOCSA-N 1 2 280.372 1.575 10 30 CDEELO C=CC[NH2+]C[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001480646570 971824442 /nfs/dbraw/zinc/82/44/42/971824442.db2.gz RUNBZPNHBKTTDA-BDAKNGLRSA-N 1 2 268.254 1.511 10 30 CDEELO C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001480646570 971824449 /nfs/dbraw/zinc/82/44/49/971824449.db2.gz RUNBZPNHBKTTDA-BDAKNGLRSA-N 1 2 268.254 1.511 10 30 CDEELO C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001285374412 953465018 /nfs/dbraw/zinc/46/50/18/953465018.db2.gz LBBWFXCHTJDKOR-RYUDHWBXSA-N 1 2 292.383 1.318 10 30 CDEELO C#CC[NH2+][C@@H](CNC(=O)c1ncn[nH]1)c1ccccc1CC ZINC001325366337 953866294 /nfs/dbraw/zinc/86/62/94/953866294.db2.gz MTCHSEVTQYOQGP-AWEZNQCLSA-N 1 2 297.362 1.061 10 30 CDEELO C#CC[NH2+][C@@H](CNC(=O)c1nc[nH]n1)c1ccccc1CC ZINC001325366337 953866299 /nfs/dbraw/zinc/86/62/99/953866299.db2.gz MTCHSEVTQYOQGP-AWEZNQCLSA-N 1 2 297.362 1.061 10 30 CDEELO N#Cc1cccc(C[NH+]2CCN(Cc3ccno3)CC2)c1 ZINC001363286508 972053919 /nfs/dbraw/zinc/05/39/19/972053919.db2.gz CUQCMGSXLOCLHA-UHFFFAOYSA-N 1 2 282.347 1.864 10 30 CDEELO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2nonc2C)[C@H](C)C1 ZINC001328238204 955237446 /nfs/dbraw/zinc/23/74/46/955237446.db2.gz CAQPATPCPSQPAI-DGCLKSJQSA-N 1 2 292.383 1.813 10 30 CDEELO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2nonc2C)[C@H](C)C1 ZINC001328238204 955237454 /nfs/dbraw/zinc/23/74/54/955237454.db2.gz CAQPATPCPSQPAI-DGCLKSJQSA-N 1 2 292.383 1.813 10 30 CDEELO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001491805719 955426325 /nfs/dbraw/zinc/42/63/25/955426325.db2.gz VPMZXVIMGZJILN-NXEZZACHSA-N 1 2 282.281 1.901 10 30 CDEELO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001491805719 955426344 /nfs/dbraw/zinc/42/63/44/955426344.db2.gz 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/nfs/dbraw/zinc/03/83/59/577038359.db2.gz DTVXFNWIXASNQE-UHFFFAOYSA-N 1 2 280.331 1.806 10 30 CDEELO C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CCNCC#N ZINC001689058947 1175088688 /nfs/dbraw/zinc/08/86/88/1175088688.db2.gz RFTDJWFTQWYLIB-UONOGXRCSA-N 1 2 289.383 1.013 10 30 CDEELO CC[C@H]([NH2+]CCCn1cncn1)c1cccc(C#N)c1O ZINC000925829839 617848393 /nfs/dbraw/zinc/84/83/93/617848393.db2.gz CFUYFIWVZBWSAK-AWEZNQCLSA-N 1 2 285.351 1.986 10 30 CDEELO C[NH+](C)Cc1csc(CNC(=O)CCCCC#N)n1 ZINC000927764349 618649824 /nfs/dbraw/zinc/64/98/24/618649824.db2.gz WSKUZGKIRXZSMR-UHFFFAOYSA-N 1 2 280.397 1.905 10 30 CDEELO C=CCCC[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000928324096 618816932 /nfs/dbraw/zinc/81/69/32/618816932.db2.gz UXCSKNIBKMFTSJ-AAEUAGOBSA-N 1 2 293.367 1.602 10 30 CDEELO C=CCCC[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(=O)OC ZINC000928324096 618816934 /nfs/dbraw/zinc/81/69/34/618816934.db2.gz UXCSKNIBKMFTSJ-AAEUAGOBSA-N 1 2 293.367 1.602 10 30 CDEELO 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N#C[C@]1(NC(=O)CCc2[nH]cc[nH+]2)CCc2ccccc2C1 ZINC001633213687 1166408189 /nfs/dbraw/zinc/40/81/89/1166408189.db2.gz ZKAOAZBOJANVJY-KRWDZBQOSA-N 1 2 294.358 1.910 10 30 CDEELO C#C[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001633628914 1166439875 /nfs/dbraw/zinc/43/98/75/1166439875.db2.gz VLGSTGWPUXQTJC-SNVBAGLBSA-N 1 2 255.277 1.329 10 30 CDEELO C=CC[NH+]1CC(N(C)C(=O)CCc2nccs2)C1 ZINC001671198067 1167093704 /nfs/dbraw/zinc/09/37/04/1167093704.db2.gz WNGKEMKLHFSAQE-UHFFFAOYSA-N 1 2 265.382 1.404 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)C(CC)CC)C1 ZINC001567783934 1168967739 /nfs/dbraw/zinc/96/77/39/1168967739.db2.gz YGOMPVPOALMMSL-UHFFFAOYSA-N 1 2 254.374 1.426 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)c2ccnn2C(C)C)C1 ZINC001567795028 1168978842 /nfs/dbraw/zinc/97/88/42/1168978842.db2.gz QMZUAYHQGOYJHF-UHFFFAOYSA-N 1 2 292.383 1.081 10 30 CDEELO O=C(C#Cc1ccccc1)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001652632223 1171459320 /nfs/dbraw/zinc/45/93/20/1171459320.db2.gz ROWXCCKXVDXRPV-UHFFFAOYSA-N 1 2 279.343 1.956 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LFZNOMUOAVJOCF-OAHLLOKOSA-N 1 2 298.390 1.279 10 30 CDEELO Cc1cnc(C[N@H+]2CCC[C@@H](NC(=O)C#CC3CC3)C2)cn1 ZINC001690037691 1175353216 /nfs/dbraw/zinc/35/32/16/1175353216.db2.gz LFZNOMUOAVJOCF-OAHLLOKOSA-N 1 2 298.390 1.279 10 30 CDEELO CC(C)(C)C#CC(=O)NC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001692195608 1175698030 /nfs/dbraw/zinc/69/80/30/1175698030.db2.gz PNUIRLOTPPCFIW-UHFFFAOYSA-N 1 2 284.350 1.882 10 30 CDEELO Cc1ccccc1C[NH+]1CC(NC(=O)C#CC(C)C)C1 ZINC001692192881 1175698516 /nfs/dbraw/zinc/69/85/16/1175698516.db2.gz PZTZGVIDOIWLRF-UHFFFAOYSA-N 1 2 270.376 1.955 10 30 CDEELO C=CC[N@H+]1CCO[C@H](CNC(=O)CCc2nccs2)C1 ZINC001698788663 1175934761 /nfs/dbraw/zinc/93/47/61/1175934761.db2.gz KFACWJOVIYPBAQ-GFCCVEGCSA-N 1 2 295.408 1.079 10 30 CDEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)CCc2nccs2)C1 ZINC001698788663 1175934759 /nfs/dbraw/zinc/93/47/59/1175934759.db2.gz KFACWJOVIYPBAQ-GFCCVEGCSA-N 1 2 295.408 1.079 10 30 CDEELO C#CC[N@H+]1CC[C@H]1CNC(=O)C(F)=C1CCCC1 ZINC001699618698 1176510695 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C#CCC[NH+]1CC(O)(CNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)C1 ZINC001699922678 1176684070 /nfs/dbraw/zinc/68/40/70/1176684070.db2.gz YDRMITDKNZXCHY-ZIAGYGMSSA-N 1 2 294.439 1.491 10 30 CDEELO C=CC[NH2+][C@@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001700322822 1176851630 /nfs/dbraw/zinc/85/16/30/1176851630.db2.gz RLZIGSOXRWILPZ-JGVFFNPUSA-N 1 2 256.243 1.557 10 30 CDEELO C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001700322822 1176851639 /nfs/dbraw/zinc/85/16/39/1176851639.db2.gz RLZIGSOXRWILPZ-JGVFFNPUSA-N 1 2 256.243 1.557 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)C2(C3CC3)CC2)C1 ZINC001700491689 1176981079 /nfs/dbraw/zinc/98/10/79/1176981079.db2.gz CYMMIKQLHSBUBQ-UHFFFAOYSA-N 1 2 278.396 1.306 10 30 CDEELO C=C(C)CCC(=O)NC[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC001713313688 1178491054 /nfs/dbraw/zinc/49/10/54/1178491054.db2.gz LDTCOIVJTKWQNW-NSHDSACASA-N 1 2 265.357 1.934 10 30 CDEELO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCC[C@@H]1C ZINC001713453497 1178572747 /nfs/dbraw/zinc/57/27/47/1178572747.db2.gz 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/nfs/dbraw/zinc/61/35/60/342613560.db2.gz TUHRNTKXYMBOKY-CHWSQXEVSA-N 1 2 255.358 1.995 10 30 CDEELO C=CC(C)(C)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641625156 365664347 /nfs/dbraw/zinc/66/43/47/365664347.db2.gz PDPNXKBZKLGHPG-UHFFFAOYSA-N 1 2 271.386 1.405 10 30 CDEELO N#Cc1cnccc1C[N@H+](CCO)Cc1ccccc1 ZINC000592066674 342663168 /nfs/dbraw/zinc/66/31/68/342663168.db2.gz FZVIHJMQMSXKBT-UHFFFAOYSA-N 1 2 267.332 1.948 10 30 CDEELO N#Cc1cnccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000592066674 342663169 /nfs/dbraw/zinc/66/31/69/342663169.db2.gz FZVIHJMQMSXKBT-UHFFFAOYSA-N 1 2 267.332 1.948 10 30 CDEELO C[C@@H]1C[N@H+](Cc2ccncc2C#N)CC2(CCOCC2)O1 ZINC000592117035 342666360 /nfs/dbraw/zinc/66/63/60/342666360.db2.gz PXPHQMPXFCPQAL-CYBMUJFWSA-N 1 2 287.363 1.723 10 30 CDEELO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)CC2(CCOCC2)O1 ZINC000592117035 342666361 /nfs/dbraw/zinc/66/63/61/342666361.db2.gz PXPHQMPXFCPQAL-CYBMUJFWSA-N 1 2 287.363 1.723 10 30 CDEELO N#Cc1csc(C[NH+]2CCC(C3(O)CC3)CC2)n1 ZINC000593045800 342756891 /nfs/dbraw/zinc/75/68/91/342756891.db2.gz URJPONWSDPWCFY-UHFFFAOYSA-N 1 2 263.366 1.752 10 30 CDEELO CC(C)Oc1cc[nH+]c(Cn2cnc(C#N)c2C#N)c1 ZINC000593423024 342800482 /nfs/dbraw/zinc/80/04/82/342800482.db2.gz SAZACHMZMIKUSO-UHFFFAOYSA-N 1 2 267.292 1.857 10 30 CDEELO CN(C)c1ncc(C[N@H+](C)Cc2ccc(C#N)cn2)cn1 ZINC000573573901 361904568 /nfs/dbraw/zinc/90/45/68/361904568.db2.gz DUTAIPFLPUHGSX-UHFFFAOYSA-N 1 2 282.351 1.441 10 30 CDEELO CN(C)c1ncc(C[N@@H+](C)Cc2ccc(C#N)cn2)cn1 ZINC000573573901 361904570 /nfs/dbraw/zinc/90/45/70/361904570.db2.gz DUTAIPFLPUHGSX-UHFFFAOYSA-N 1 2 282.351 1.441 10 30 CDEELO C[C@H]1COCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000091814823 361913843 /nfs/dbraw/zinc/91/38/43/361913843.db2.gz ZGJVEBFIDVVVQV-NSHDSACASA-N 1 2 256.309 1.427 10 30 CDEELO CN(C)[C@@H](C(=O)NCC1(C#N)CCCC1)c1c[nH+]cn1C ZINC000593787592 342839740 /nfs/dbraw/zinc/83/97/40/342839740.db2.gz YBIYCHXAUDAJEW-CYBMUJFWSA-N 1 2 289.383 1.223 10 30 CDEELO CO[C@]1(CO)CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000401822757 342890512 /nfs/dbraw/zinc/89/05/12/342890512.db2.gz AIUARAWRCRXLCE-CQSZACIVSA-N 1 2 261.325 1.239 10 30 CDEELO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccnc(C#N)c1)CCO2 ZINC000619291207 349666261 /nfs/dbraw/zinc/66/62/61/349666261.db2.gz AQYMHTWPQTYJNJ-IUODEOHRSA-N 1 2 273.336 1.333 10 30 CDEELO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccnc(C#N)c1)CCO2 ZINC000619291207 349666264 /nfs/dbraw/zinc/66/62/64/349666264.db2.gz AQYMHTWPQTYJNJ-IUODEOHRSA-N 1 2 273.336 1.333 10 30 CDEELO C=CC(C)(C)CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000628314759 362035907 /nfs/dbraw/zinc/03/59/07/362035907.db2.gz MHVOOEXZGYGAJS-UHFFFAOYSA-N 1 2 280.412 1.960 10 30 CDEELO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595808281 343159258 /nfs/dbraw/zinc/15/92/58/343159258.db2.gz CGPWRHJAADSOOW-KBPBESRZSA-N 1 2 290.388 1.674 10 30 CDEELO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595808281 343159260 /nfs/dbraw/zinc/15/92/60/343159260.db2.gz CGPWRHJAADSOOW-KBPBESRZSA-N 1 2 290.388 1.674 10 30 CDEELO C[C@]1(C#N)CC[N@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC000595842327 343172933 /nfs/dbraw/zinc/17/29/33/343172933.db2.gz DLNWUAZGVYELMW-NWDGAFQWSA-N 1 2 256.371 1.047 10 30 CDEELO C[C@]1(C#N)CC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC000595842327 343172934 /nfs/dbraw/zinc/17/29/34/343172934.db2.gz DLNWUAZGVYELMW-NWDGAFQWSA-N 1 2 256.371 1.047 10 30 CDEELO C[C@@]1(C#N)CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000596489270 343329659 /nfs/dbraw/zinc/32/96/59/343329659.db2.gz RRAUGUJDVIPJIM-HNNXBMFYSA-N 1 2 283.335 1.779 10 30 CDEELO CO[C@@H](CNc1cc(C)[nH+]cc1C#N)[C@@H]1CCOC1 ZINC000596316668 343301106 /nfs/dbraw/zinc/30/11/06/343301106.db2.gz FXWCTBFKQAVWLS-RISCZKNCSA-N 1 2 261.325 1.147 10 30 CDEELO CN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C(C)(C)C1=O ZINC000093642600 342425578 /nfs/dbraw/zinc/42/55/78/342425578.db2.gz FEFRVAPEQKMIKA-UHFFFAOYSA-N 1 2 297.362 1.259 10 30 CDEELO COC[C@]1(C)C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000600216587 349842964 /nfs/dbraw/zinc/84/29/64/349842964.db2.gz AQIVHYJZCWUOBR-ZDUSSCGKSA-N 1 2 266.366 1.857 10 30 CDEELO COC[C@]1(C)C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000600216587 349842966 /nfs/dbraw/zinc/84/29/66/349842966.db2.gz AQIVHYJZCWUOBR-ZDUSSCGKSA-N 1 2 266.366 1.857 10 30 CDEELO CC[C@@H](C(=O)N(CC)[C@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000598363390 343777573 /nfs/dbraw/zinc/77/75/73/343777573.db2.gz OOXBIBSFJJLQQT-MCIONIFRSA-N 1 2 281.400 1.636 10 30 CDEELO CC[C@@H](C(=O)N(CC)[C@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC000598363390 343777575 /nfs/dbraw/zinc/77/75/75/343777575.db2.gz OOXBIBSFJJLQQT-MCIONIFRSA-N 1 2 281.400 1.636 10 30 CDEELO Cc1ccc(COCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000598837887 343914950 /nfs/dbraw/zinc/91/49/50/343914950.db2.gz ZHOZIWQHCLCCBB-MRXNPFEDSA-N 1 2 289.379 1.472 10 30 CDEELO N#CC1(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCCC1 ZINC000598939343 343923519 /nfs/dbraw/zinc/92/35/19/343923519.db2.gz KWXVGJRHRQZWAG-GFCCVEGCSA-N 1 2 272.352 1.788 10 30 CDEELO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H](C)[C@@H](C)O1 ZINC000446073599 362292151 /nfs/dbraw/zinc/29/21/51/362292151.db2.gz PCBGXMJUIPGYTF-HZSPNIEDSA-N 1 2 293.411 1.827 10 30 CDEELO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H](C)[C@@H](C)O1 ZINC000446073599 362292158 /nfs/dbraw/zinc/29/21/58/362292158.db2.gz PCBGXMJUIPGYTF-HZSPNIEDSA-N 1 2 293.411 1.827 10 30 CDEELO N#CC1(C[C@@H](O)C[N@@H+]2CCCC(F)(F)C2)CCOCC1 ZINC000599451237 344064932 /nfs/dbraw/zinc/06/49/32/344064932.db2.gz ULDDZTPSWFDVOY-GFCCVEGCSA-N 1 2 288.338 1.789 10 30 CDEELO N#CC1(C[C@@H](O)C[N@H+]2CCCC(F)(F)C2)CCOCC1 ZINC000599451237 344064934 /nfs/dbraw/zinc/06/49/34/344064934.db2.gz ULDDZTPSWFDVOY-GFCCVEGCSA-N 1 2 288.338 1.789 10 30 CDEELO N#CCNC(=O)C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635371 344108779 /nfs/dbraw/zinc/10/87/79/344108779.db2.gz QKJWMXWYBKVOJV-UHFFFAOYSA-N 1 2 297.280 1.703 10 30 CDEELO N#CCNC(=O)C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635371 344108780 /nfs/dbraw/zinc/10/87/80/344108780.db2.gz QKJWMXWYBKVOJV-UHFFFAOYSA-N 1 2 297.280 1.703 10 30 CDEELO N#Cc1ccc(C[NH+]2CCN(c3nccnn3)CC2)cc1F ZINC000599511386 344078747 /nfs/dbraw/zinc/07/87/47/344078747.db2.gz LRGRTZIBJXTDOR-UHFFFAOYSA-N 1 2 298.325 1.205 10 30 CDEELO COC[C@@]1(C)C[N@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000599699381 344126988 /nfs/dbraw/zinc/12/69/88/344126988.db2.gz RTJPBANLYYKUFO-CQSZACIVSA-N 1 2 261.325 1.191 10 30 CDEELO COC[C@@]1(C)C[N@@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000599699381 344126989 /nfs/dbraw/zinc/12/69/89/344126989.db2.gz RTJPBANLYYKUFO-CQSZACIVSA-N 1 2 261.325 1.191 10 30 CDEELO CC[C@@H](CC#N)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000599760427 344137481 /nfs/dbraw/zinc/13/74/81/344137481.db2.gz PRZSPAWRASYUEX-NEPJUHHUSA-N 1 2 260.341 1.562 10 30 CDEELO Cc1cc(C#N)cc(N(C)C[C@H]2C[N@H+](C)CCO2)n1 ZINC000601114072 349909247 /nfs/dbraw/zinc/90/92/47/349909247.db2.gz VUIDGGTUCDRHMH-CYBMUJFWSA-N 1 2 260.341 1.029 10 30 CDEELO Cc1cc(C#N)cc(N(C)C[C@H]2C[N@@H+](C)CCO2)n1 ZINC000601114072 349909250 /nfs/dbraw/zinc/90/92/50/349909250.db2.gz VUIDGGTUCDRHMH-CYBMUJFWSA-N 1 2 260.341 1.029 10 30 CDEELO C=CCOC[C@H]([NH2+]CC1(C(C)C)CC1)C(=O)OC ZINC000602642838 344512515 /nfs/dbraw/zinc/51/25/15/344512515.db2.gz ALTCWKFENFIOAL-LBPRGKRZSA-N 1 2 255.358 1.756 10 30 CDEELO C[C@@H](O)CC[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000159591136 362412420 /nfs/dbraw/zinc/41/24/20/362412420.db2.gz WHDAINQOOQHMMN-GFCCVEGCSA-N 1 2 296.392 1.035 10 30 CDEELO C[C@@H](O)CC[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000159591136 362412424 /nfs/dbraw/zinc/41/24/24/362412424.db2.gz WHDAINQOOQHMMN-GFCCVEGCSA-N 1 2 296.392 1.035 10 30 CDEELO C=CCOCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000618516715 344867149 /nfs/dbraw/zinc/86/71/49/344867149.db2.gz UXSPDRXHJAECFQ-LBPRGKRZSA-N 1 2 251.330 1.543 10 30 CDEELO C=CCN(CCOC)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613932234 347946053 /nfs/dbraw/zinc/94/60/53/347946053.db2.gz BPIYFKLNORXGBU-LLVKDONJSA-N 1 2 263.341 1.176 10 30 CDEELO C=CCN(CCOC)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613932234 347946056 /nfs/dbraw/zinc/94/60/56/347946056.db2.gz BPIYFKLNORXGBU-LLVKDONJSA-N 1 2 263.341 1.176 10 30 CDEELO C#C[C@@H](CO)[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC001659753379 1172134519 /nfs/dbraw/zinc/13/45/19/1172134519.db2.gz DCDRSJIRZGJIPC-NSHDSACASA-N 1 2 274.345 1.910 10 30 CDEELO N#Cc1csc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000175896452 357744867 /nfs/dbraw/zinc/74/48/67/357744867.db2.gz PINHUHHBAZPILH-GFCCVEGCSA-N 1 2 291.376 1.213 10 30 CDEELO N#Cc1csc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000175896452 357744873 /nfs/dbraw/zinc/74/48/73/357744873.db2.gz PINHUHHBAZPILH-GFCCVEGCSA-N 1 2 291.376 1.213 10 30 CDEELO C=CCNC(=O)C[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000265457496 359329109 /nfs/dbraw/zinc/32/91/09/359329109.db2.gz DOJXZVJVRJKGHZ-UHFFFAOYSA-N 1 2 265.382 1.723 10 30 CDEELO C=CCCC(C)(C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637440859 360103492 /nfs/dbraw/zinc/10/34/92/360103492.db2.gz UVOIUXNZQCVCKI-GFCCVEGCSA-N 1 2 269.389 1.361 10 30 CDEELO C=CCCC(C)(C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637440859 360103495 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TWNMKWJIMAFBBA-ZDUSSCGKSA-N 1 2 283.397 1.644 10 30 CDEELO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)Oc1cccc(F)c1 ZINC001483652874 912305000 /nfs/dbraw/zinc/30/50/00/912305000.db2.gz MABHCDAOXPMMTE-JSGCOSHPSA-N 1 2 290.338 1.417 10 30 CDEELO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)Oc1cccc(F)c1 ZINC001483652874 912305019 /nfs/dbraw/zinc/30/50/19/912305019.db2.gz MABHCDAOXPMMTE-JSGCOSHPSA-N 1 2 290.338 1.417 10 30 CDEELO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1(c2ccccc2)CCC1 ZINC001483663913 912404995 /nfs/dbraw/zinc/40/49/95/912404995.db2.gz AKQXQAJLQIHICZ-MRXNPFEDSA-N 1 2 282.387 1.932 10 30 CDEELO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(c2ccccc2)CCC1 ZINC001483663913 912405005 /nfs/dbraw/zinc/40/50/05/912405005.db2.gz AKQXQAJLQIHICZ-MRXNPFEDSA-N 1 2 282.387 1.932 10 30 CDEELO C=CC(C)(C)C(=O)NCC[N@@H+](C)Cc1cc(OC)ns1 ZINC001266309003 894326738 /nfs/dbraw/zinc/32/67/38/894326738.db2.gz KQVNMIFCHJONDK-UHFFFAOYSA-N 1 2 297.424 1.912 10 30 CDEELO C=CC(C)(C)C(=O)NCC[N@H+](C)Cc1cc(OC)ns1 ZINC001266309003 894326752 /nfs/dbraw/zinc/32/67/52/894326752.db2.gz KQVNMIFCHJONDK-UHFFFAOYSA-N 1 2 297.424 1.912 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)C=C(CC)CC)C1 ZINC001282513968 894501658 /nfs/dbraw/zinc/50/16/58/894501658.db2.gz HDCRGRLIGOIWDC-UHFFFAOYSA-N 1 2 280.412 1.862 10 30 CDEELO C=CCCC(=O)N(C)CC[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001266657343 895706090 /nfs/dbraw/zinc/70/60/90/895706090.db2.gz VREHZCJWSGQLNQ-UHFFFAOYSA-N 1 2 294.399 1.881 10 30 CDEELO C#CCCCC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001267679535 899257073 /nfs/dbraw/zinc/25/70/73/899257073.db2.gz QOXJCTBHSSPUOJ-UHFFFAOYSA-N 1 2 295.386 1.910 10 30 CDEELO C#CCCCC(=O)NCC1C[NH+](Cc2cc(C)no2)C1 ZINC001481623389 901494513 /nfs/dbraw/zinc/49/45/13/901494513.db2.gz ZXORAUUPHDJYES-UHFFFAOYSA-N 1 2 275.352 1.335 10 30 CDEELO C=CC[NH+]1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001481627148 901507622 /nfs/dbraw/zinc/50/76/22/901507622.db2.gz ZZZCPJZWDCDLBW-MRVPVSSYSA-N 1 2 254.227 1.121 10 30 CDEELO C=CC[NH+]1CC(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001481627148 901507637 /nfs/dbraw/zinc/50/76/37/901507637.db2.gz ZZZCPJZWDCDLBW-MRVPVSSYSA-N 1 2 254.227 1.121 10 30 CDEELO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001567763332 1168957222 /nfs/dbraw/zinc/95/72/22/1168957222.db2.gz UQWFJGKOEKHXGC-GXTWGEPZSA-N 1 2 293.411 1.209 10 30 CDEELO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001567763332 1168957234 /nfs/dbraw/zinc/95/72/34/1168957234.db2.gz UQWFJGKOEKHXGC-GXTWGEPZSA-N 1 2 293.411 1.209 10 30 CDEELO N#CCNCC1(NC(=O)CCCn2cc[nH+]c2)CCCC1 ZINC001481912496 902305840 /nfs/dbraw/zinc/30/58/40/902305840.db2.gz BTLOWLXWURQZFE-UHFFFAOYSA-N 1 2 289.383 1.205 10 30 CDEELO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)OCC2CC2)C1 ZINC001482182831 902854410 /nfs/dbraw/zinc/85/44/10/902854410.db2.gz OSRNVVHDRXHORO-UKRRQHHQSA-N 1 2 296.411 1.195 10 30 CDEELO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)OCC2CC2)C1 ZINC001482182831 902854423 /nfs/dbraw/zinc/85/44/23/902854423.db2.gz OSRNVVHDRXHORO-UKRRQHHQSA-N 1 2 296.411 1.195 10 30 CDEELO C#CCCCC(=O)N(C)CCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001268789553 903131858 /nfs/dbraw/zinc/13/18/58/903131858.db2.gz TVZMXJDKXVJAHY-LBPRGKRZSA-N 1 2 292.383 1.681 10 30 CDEELO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001269056296 903375320 /nfs/dbraw/zinc/37/53/20/903375320.db2.gz CXBKOMNUFABYHU-AWEZNQCLSA-N 1 2 289.379 1.867 10 30 CDEELO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001269056296 903375335 /nfs/dbraw/zinc/37/53/35/903375335.db2.gz CXBKOMNUFABYHU-AWEZNQCLSA-N 1 2 289.379 1.867 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1Cc1cc(C)ncn1 ZINC001269273126 903637933 /nfs/dbraw/zinc/63/79/33/903637933.db2.gz RPJUHQPYJYRDGY-CQSZACIVSA-N 1 2 288.395 1.688 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C)ncn1 ZINC001269273126 903637944 /nfs/dbraw/zinc/63/79/44/903637944.db2.gz RPJUHQPYJYRDGY-CQSZACIVSA-N 1 2 288.395 1.688 10 30 CDEELO C=CCC(C)(C)C(=O)NC[C@H](CC)[NH2+]Cc1nnc(C)o1 ZINC001269477783 903845310 /nfs/dbraw/zinc/84/53/10/903845310.db2.gz TXTXDZJWLWVTBG-LBPRGKRZSA-N 1 2 294.399 1.965 10 30 CDEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001270656011 904893455 /nfs/dbraw/zinc/89/34/55/904893455.db2.gz APAPVXPTRBICMZ-CHWSQXEVSA-N 1 2 268.401 1.672 10 30 CDEELO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001270656011 904893476 /nfs/dbraw/zinc/89/34/76/904893476.db2.gz APAPVXPTRBICMZ-CHWSQXEVSA-N 1 2 268.401 1.672 10 30 CDEELO Cc1ncc(C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N)o1 ZINC001271977479 907063628 /nfs/dbraw/zinc/06/36/28/907063628.db2.gz PAUTXTMJGOFGCP-SNVBAGLBSA-N 1 2 264.329 1.033 10 30 CDEELO Cc1ncc(C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)o1 ZINC001271977479 907063630 /nfs/dbraw/zinc/06/36/30/907063630.db2.gz PAUTXTMJGOFGCP-SNVBAGLBSA-N 1 2 264.329 1.033 10 30 CDEELO Cc1cnc(C[NH2+]C/C=C/CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001482995990 908668161 /nfs/dbraw/zinc/66/81/61/908668161.db2.gz XTSLRKCTSDTNBU-NSCUHMNNSA-N 1 2 299.334 1.259 10 30 CDEELO C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccon1 ZINC001483062384 909214800 /nfs/dbraw/zinc/21/48/00/909214800.db2.gz NUBGGTZUWKUXMV-JKWAOEONSA-N 1 2 291.351 1.028 10 30 CDEELO C=CCCC(=O)N[C@H](C)C[NH2+]Cc1nc(CC)no1 ZINC001483114616 909446604 /nfs/dbraw/zinc/44/66/04/909446604.db2.gz PXFTZQHMVILPSA-SNVBAGLBSA-N 1 2 266.345 1.193 10 30 CDEELO Cc1cnc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C#N)s1 ZINC001409517127 910468107 /nfs/dbraw/zinc/46/81/07/910468107.db2.gz PZHYIMURZZZGJS-NXEZZACHSA-N 1 2 280.397 1.548 10 30 CDEELO Cc1cnc(C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C#N)s1 ZINC001409517127 910468117 /nfs/dbraw/zinc/46/81/17/910468117.db2.gz PZHYIMURZZZGJS-NXEZZACHSA-N 1 2 280.397 1.548 10 30 CDEELO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001409585971 910526378 /nfs/dbraw/zinc/52/63/78/910526378.db2.gz RXTGKOUKPPVREJ-UPJWGTAASA-N 1 2 288.819 1.991 10 30 CDEELO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001409585971 910526383 /nfs/dbraw/zinc/52/63/83/910526383.db2.gz RXTGKOUKPPVREJ-UPJWGTAASA-N 1 2 288.819 1.991 10 30 CDEELO C=CCC[NH2+]CCCN(C)C(=O)C(F)C(F)(F)F ZINC001483466498 911155604 /nfs/dbraw/zinc/15/56/04/911155604.db2.gz BTBREEOQVNCIRJ-SECBINFHSA-N 1 2 270.270 1.901 10 30 CDEELO C=CCC[NH2+]CCCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001483466498 911155616 /nfs/dbraw/zinc/15/56/16/911155616.db2.gz BTBREEOQVNCIRJ-SECBINFHSA-N 1 2 270.270 1.901 10 30 CDEELO C#CCCCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccn1 ZINC001483641578 912175494 /nfs/dbraw/zinc/17/54/94/912175494.db2.gz HBYGNEPLEHSRNX-MRXNPFEDSA-N 1 2 285.391 1.966 10 30 CDEELO C#CCCCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccccn1 ZINC001483641578 912175503 /nfs/dbraw/zinc/17/55/03/912175503.db2.gz HBYGNEPLEHSRNX-MRXNPFEDSA-N 1 2 285.391 1.966 10 30 CDEELO C#CC[NH2+]C[C@@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001483928928 915205980 /nfs/dbraw/zinc/20/59/80/915205980.db2.gz DKMLRMNCVTVRPC-DTWKUNHWSA-N 1 2 266.238 1.101 10 30 CDEELO C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001483928928 915206008 /nfs/dbraw/zinc/20/60/08/915206008.db2.gz DKMLRMNCVTVRPC-DTWKUNHWSA-N 1 2 266.238 1.101 10 30 CDEELO O=C(C#CC1CC1)N[C@]1(CO)CCC[N@H+](C/C=C\Cl)C1 ZINC001484433777 915772826 /nfs/dbraw/zinc/77/28/26/915772826.db2.gz CAKVZTKHXLPJMP-SDHLOXDLSA-N 1 2 296.798 1.095 10 30 CDEELO O=C(C#CC1CC1)N[C@]1(CO)CCC[N@@H+](C/C=C\Cl)C1 ZINC001484433777 915772836 /nfs/dbraw/zinc/77/28/36/915772836.db2.gz CAKVZTKHXLPJMP-SDHLOXDLSA-N 1 2 296.798 1.095 10 30 CDEELO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)C[C@H](C)CCC ZINC001484588725 915920636 /nfs/dbraw/zinc/92/06/36/915920636.db2.gz HUNOBDAAGJMOAY-HUUCEWRRSA-N 1 2 280.412 1.653 10 30 CDEELO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H](C)CCC ZINC001484588725 915920649 /nfs/dbraw/zinc/92/06/49/915920649.db2.gz HUNOBDAAGJMOAY-HUUCEWRRSA-N 1 2 280.412 1.653 10 30 CDEELO CC#CCCCC(=O)NC[C@H]1COCC[N@H+]1CCCOC ZINC001484600115 915935554 /nfs/dbraw/zinc/93/55/54/915935554.db2.gz NJJNMUJUBIQTLL-HNNXBMFYSA-N 1 2 296.411 1.034 10 30 CDEELO CC#CCCCC(=O)NC[C@H]1COCC[N@@H+]1CCCOC ZINC001484600115 915935559 /nfs/dbraw/zinc/93/55/59/915935559.db2.gz NJJNMUJUBIQTLL-HNNXBMFYSA-N 1 2 296.411 1.034 10 30 CDEELO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)/C=C\c1ccc[nH]1)CO2 ZINC001484799242 916162344 /nfs/dbraw/zinc/16/23/44/916162344.db2.gz RIGUILSOLZYBOM-IDTUSYRASA-N 1 2 299.374 1.011 10 30 CDEELO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC[C@H]2C)C1 ZINC001485415868 916954762 /nfs/dbraw/zinc/95/47/62/916954762.db2.gz NXQIMXJMKLLVGV-CABCVRRESA-N 1 2 292.423 1.389 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001485416847 916956371 /nfs/dbraw/zinc/95/63/71/916956371.db2.gz SFMBIIYFHPWMRO-ZIAGYGMSSA-N 1 2 280.412 1.552 10 30 CDEELO Cc1cn(C(C)(C)C(=O)N[C@@H](C)CCCNCC#N)c[nH+]1 ZINC001485727737 917237241 /nfs/dbraw/zinc/23/72/41/917237241.db2.gz NOZYSKDLAUUIFQ-LBPRGKRZSA-N 1 2 291.399 1.325 10 30 CDEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)CCCOC)C1 ZINC001568227383 1169190923 /nfs/dbraw/zinc/19/09/23/1169190923.db2.gz YQQMKZZDPXVKPC-UONOGXRCSA-N 1 2 284.400 1.052 10 30 CDEELO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)CCCOC)C1 ZINC001568227383 1169190932 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C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCCOC)C1 ZINC001267719745 899376833 /nfs/dbraw/zinc/37/68/33/899376833.db2.gz LXUOCJZPGBSJDC-LBPRGKRZSA-N 1 2 274.792 1.746 10 30 CDEELO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCCOC)C1 ZINC001267719745 899376846 /nfs/dbraw/zinc/37/68/46/899376846.db2.gz LXUOCJZPGBSJDC-LBPRGKRZSA-N 1 2 274.792 1.746 10 30 CDEELO C=CCCCC(=O)N(C)CC[NH2+]Cc1nnc(C)o1 ZINC001481272842 899820545 /nfs/dbraw/zinc/82/05/45/899820545.db2.gz JZEHNHGELKSDRR-UHFFFAOYSA-N 1 2 266.345 1.282 10 30 CDEELO C#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnn(C)c1 ZINC001481671555 901768731 /nfs/dbraw/zinc/76/87/31/901768731.db2.gz IULXYMODYPAPFK-GJZGRUSLSA-N 1 2 286.379 1.009 10 30 CDEELO C#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnn(C)c1 ZINC001481671555 901768737 /nfs/dbraw/zinc/76/87/37/901768737.db2.gz IULXYMODYPAPFK-GJZGRUSLSA-N 1 2 286.379 1.009 10 30 CDEELO C#CCOCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C/Cl ZINC001481672049 901770661 /nfs/dbraw/zinc/77/06/61/901770661.db2.gz VJXDGJQGJJCIHL-CDBNLRSOSA-N 1 2 282.771 1.064 10 30 CDEELO C#CCOCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C/Cl ZINC001481672049 901770667 /nfs/dbraw/zinc/77/06/67/901770667.db2.gz VJXDGJQGJJCIHL-CDBNLRSOSA-N 1 2 282.771 1.064 10 30 CDEELO C=CCCC(=O)NC[C@H](CC)[NH2+]Cc1csnn1 ZINC001481793653 902136462 /nfs/dbraw/zinc/13/64/62/902136462.db2.gz CRZCENXVMQRYBY-JTQLQIEISA-N 1 2 268.386 1.489 10 30 CDEELO C=CCCOCC(=O)NC1C[NH+](Cc2ccccc2)C1 ZINC001268491010 902365685 /nfs/dbraw/zinc/36/56/85/902365685.db2.gz CCINPQIGYNLIOU-UHFFFAOYSA-N 1 2 274.364 1.580 10 30 CDEELO CC#CCCCC(=O)NC/C=C\C[NH2+]Cc1csnn1 ZINC001268580522 902664288 /nfs/dbraw/zinc/66/42/88/902664288.db2.gz OPKYXJTYWATHTP-SREVYHEPSA-N 1 2 292.408 1.494 10 30 CDEELO C=CCC[C@@H](C)[NH+]1CC(NC(=O)c2ncccc2O)C1 ZINC001567789994 1168973455 /nfs/dbraw/zinc/97/34/55/1168973455.db2.gz ARTYDGHMATVZKK-LLVKDONJSA-N 1 2 275.352 1.556 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC001567797778 1168980371 /nfs/dbraw/zinc/98/03/71/1168980371.db2.gz AEGAEEURKAAZKW-NWANDNLSSA-N 1 2 278.396 1.426 10 30 CDEELO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2occc2C)C1 ZINC001268996783 903313958 /nfs/dbraw/zinc/31/39/58/903313958.db2.gz VHUYJMAKUVEFGE-ZDUSSCGKSA-N 1 2 276.336 1.042 10 30 CDEELO COCC#CC[N@H+]1CC[C@H](NC(=O)c2occc2C)C1 ZINC001268996783 903313970 /nfs/dbraw/zinc/31/39/70/903313970.db2.gz VHUYJMAKUVEFGE-ZDUSSCGKSA-N 1 2 276.336 1.042 10 30 CDEELO Cc1ccc(C(=O)/C=C/C(=O)NCCc2[nH+]ccn2C)cc1 ZINC001177502988 914723480 /nfs/dbraw/zinc/72/34/80/914723480.db2.gz FSKNIDVDEYJAFO-BQYQJAHWSA-N 1 2 297.358 1.826 10 30 CDEELO C#CCC[NH+]1CC(O)(CNC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001271392733 906296169 /nfs/dbraw/zinc/29/61/69/906296169.db2.gz FJRDTVUCCTZIMG-UHFFFAOYSA-N 1 2 294.439 1.635 10 30 CDEELO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C#CC1CC1 ZINC001272012893 907355354 /nfs/dbraw/zinc/35/53/54/907355354.db2.gz BQOVPVRZDFAHCZ-UHFFFAOYSA-N 1 2 254.761 1.543 10 30 CDEELO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C#CC1CC1 ZINC001272012893 907355366 /nfs/dbraw/zinc/35/53/66/907355366.db2.gz BQOVPVRZDFAHCZ-UHFFFAOYSA-N 1 2 254.761 1.543 10 30 CDEELO Cc1c[nH+]c2cc(C(=O)N(C)CCN(C)CC#N)ccn12 ZINC001272020867 907454824 /nfs/dbraw/zinc/45/48/24/907454824.db2.gz RIUMVOKCNGEENU-UHFFFAOYSA-N 1 2 285.351 1.170 10 30 CDEELO C#CCN(C(C)=O)C1CC[NH+](Cc2nccs2)CC1 ZINC001483978114 915257558 /nfs/dbraw/zinc/25/75/58/915257558.db2.gz RGSXEUSOBYZDLD-UHFFFAOYSA-N 1 2 277.393 1.589 10 30 CDEELO C#CCC[NH+]1CC(O)(CNC(=O)c2cscc2Cl)C1 ZINC001484277296 915578240 /nfs/dbraw/zinc/57/82/40/915578240.db2.gz BIMJPIXWBZZPJP-UHFFFAOYSA-N 1 2 298.795 1.201 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@](C)(F)CCCC)C1 ZINC001484281913 915579421 /nfs/dbraw/zinc/57/94/21/915579421.db2.gz PGIKFCBTWDUFSQ-CQSZACIVSA-N 1 2 286.391 1.644 10 30 CDEELO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H](C)CC)O2 ZINC001484781913 916155250 /nfs/dbraw/zinc/15/52/50/916155250.db2.gz ORZABRZUAKNKMI-OLZOCXBDSA-N 1 2 266.385 1.568 10 30 CDEELO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](F)C(C)C 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C=C(CCC(=O)OC)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001142771909 937065294 /nfs/dbraw/zinc/06/52/94/937065294.db2.gz QFCROMNRSSBTEF-UHFFFAOYSA-N 1 2 291.351 1.556 10 30 CDEELO C=CCO[C@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC001116776634 937471491 /nfs/dbraw/zinc/47/14/91/937471491.db2.gz UEKVSRDDULCKNN-ZDUSSCGKSA-N 1 2 274.368 1.858 10 30 CDEELO C=CCO[C@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC001116776634 937471493 /nfs/dbraw/zinc/47/14/93/937471493.db2.gz UEKVSRDDULCKNN-ZDUSSCGKSA-N 1 2 274.368 1.858 10 30 CDEELO C#CCC[C@H](O)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000822679762 931191373 /nfs/dbraw/zinc/19/13/73/931191373.db2.gz NVBGCBLWXPDXBW-KBPBESRZSA-N 1 2 277.368 1.361 10 30 CDEELO C#CCN(CC#CC)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001137013003 931498950 /nfs/dbraw/zinc/49/89/50/931498950.db2.gz OVABENNLMVUGHI-UHFFFAOYSA-N 1 2 293.326 1.677 10 30 CDEELO N#Cc1csc(C[NH2+]Cc2ccc(-n3cncn3)nc2)n1 ZINC001117680469 937541836 /nfs/dbraw/zinc/54/18/36/937541836.db2.gz GBPLILUHDSSDTJ-UHFFFAOYSA-N 1 2 297.347 1.280 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)/C=C(/C)CC)C1 ZINC001276043805 932464650 /nfs/dbraw/zinc/46/46/50/932464650.db2.gz JGSHOVIBDOOZBB-JYRVWZFOSA-N 1 2 266.385 1.472 10 30 CDEELO C#CCC1([NH2+]Cc2nnn(CC(F)(F)F)n2)CCC1 ZINC001119860359 937760536 /nfs/dbraw/zinc/76/05/36/937760536.db2.gz UVQSJVIOGSRVOP-UHFFFAOYSA-N 1 2 273.262 1.271 10 30 CDEELO C#C[C@H]1COCCN1C(=O)NCc1cc[nH+]c(NCC)c1 ZINC001123623584 936190385 /nfs/dbraw/zinc/19/03/85/936190385.db2.gz ZMRPCTFXCHSSPY-ZDUSSCGKSA-N 1 2 288.351 1.057 10 30 CDEELO C=C(C)CCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001120758418 937832699 /nfs/dbraw/zinc/83/26/99/937832699.db2.gz KGCGJWUPINSLRU-INIZCTEOSA-N 1 2 296.411 1.075 10 30 CDEELO C=C(C)CCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001120758418 937832701 /nfs/dbraw/zinc/83/27/01/937832701.db2.gz KGCGJWUPINSLRU-INIZCTEOSA-N 1 2 296.411 1.075 10 30 CDEELO C#C[C@H](C)[NH2+]Cc1oc(Br)cc1C(=O)OC ZINC001205744491 939930868 /nfs/dbraw/zinc/93/08/68/939930868.db2.gz KOHZRCKXMVPCKU-ZETCQYMHSA-N 1 2 286.125 1.940 10 30 CDEELO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)OC)C1 ZINC001373666163 973557976 /nfs/dbraw/zinc/55/79/76/973557976.db2.gz FBSILLJAZKCMAQ-NWDGAFQWSA-N 1 2 274.792 1.697 10 30 CDEELO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)OC)C1 ZINC001373666163 973557982 /nfs/dbraw/zinc/55/79/82/973557982.db2.gz FBSILLJAZKCMAQ-NWDGAFQWSA-N 1 2 274.792 1.697 10 30 CDEELO C=CCOCC(=O)NC[C@@H]1CC[N@H+]1Cc1scnc1C ZINC001276810413 941411145 /nfs/dbraw/zinc/41/11/45/941411145.db2.gz QBWWYGMHQCXBFE-LBPRGKRZSA-N 1 2 295.408 1.345 10 30 CDEELO C=CCOCC(=O)NC[C@@H]1CC[N@@H+]1Cc1scnc1C ZINC001276810413 941411148 /nfs/dbraw/zinc/41/11/48/941411148.db2.gz QBWWYGMHQCXBFE-LBPRGKRZSA-N 1 2 295.408 1.345 10 30 CDEELO C[C@H]([C@H](C)O)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC001473703654 970834183 /nfs/dbraw/zinc/83/41/83/970834183.db2.gz UURAUNFBGIYEIY-VNHYZAJKSA-N 1 2 259.353 1.708 10 30 CDEELO C[C@H]([C@H](C)O)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC001473703654 970834185 /nfs/dbraw/zinc/83/41/85/970834185.db2.gz UURAUNFBGIYEIY-VNHYZAJKSA-N 1 2 259.353 1.708 10 30 CDEELO Cc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)ncc1C#N ZINC001362087700 970870500 /nfs/dbraw/zinc/87/05/00/970870500.db2.gz PQGWILAOGLMAJS-UHFFFAOYSA-N 1 2 295.346 1.936 10 30 CDEELO CCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](C)C#N ZINC001280399766 942435004 /nfs/dbraw/zinc/43/50/04/942435004.db2.gz QTTQZPXXLFPUMQ-CHWSQXEVSA-N 1 2 267.373 1.153 10 30 CDEELO CCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](C)C#N ZINC001280399766 942435010 /nfs/dbraw/zinc/43/50/10/942435010.db2.gz QTTQZPXXLFPUMQ-CHWSQXEVSA-N 1 2 267.373 1.153 10 30 CDEELO C=C(C)C[NH+]1CC(N(C)C(=O)CCc2ccncn2)C1 ZINC001277603070 943111091 /nfs/dbraw/zinc/11/10/91/943111091.db2.gz MKEFXPQYPFREKC-UHFFFAOYSA-N 1 2 274.368 1.128 10 30 CDEELO Cc1cc(C[NH2+]C/C=C\CNC(=O)CSCC#N)no1 ZINC001568818241 1169494651 /nfs/dbraw/zinc/49/46/51/1169494651.db2.gz QSLOLBSLXAXDFL-IHWYPQMZSA-N 1 2 294.380 1.002 10 30 CDEELO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)Oc1ccccc1 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CC#CCCCC(=O)N[C@@H](C)C[NH2+]Cc1nc(CC)no1 ZINC001699418502 1176384149 /nfs/dbraw/zinc/38/41/49/1176384149.db2.gz WVMINPKAMXBUSW-LBPRGKRZSA-N 1 2 292.383 1.420 10 30 CDEELO N#CCSCC(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001699613908 1176504938 /nfs/dbraw/zinc/50/49/38/1176504938.db2.gz RGFFZBTWYYPRBC-CYBMUJFWSA-N 1 2 290.392 1.029 10 30 CDEELO N#CCSCC(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001699613908 1176504947 /nfs/dbraw/zinc/50/49/47/1176504947.db2.gz RGFFZBTWYYPRBC-CYBMUJFWSA-N 1 2 290.392 1.029 10 30 CDEELO C=C(C)CCC(=O)N(C)C1C[NH+](CCc2ccnn2C)C1 ZINC001699713064 1176580408 /nfs/dbraw/zinc/58/04/08/1176580408.db2.gz CTIUHRSZIJSAOD-UHFFFAOYSA-N 1 2 290.411 1.462 10 30 CDEELO CN(C(=O)C#CC1CC1)C1C[NH+](CCOc2ccccc2)C1 ZINC001699715434 1176583633 /nfs/dbraw/zinc/58/36/33/1176583633.db2.gz UBGZGKFOXGEPQV-UHFFFAOYSA-N 1 2 298.386 1.621 10 30 CDEELO C=C[C@H](CC)CC(=O)NCC1(O)C[NH+](CC=C(C)C)C1 ZINC001699920591 1176682762 /nfs/dbraw/zinc/68/27/62/1176682762.db2.gz XPAMTKKZXFNJQG-CQSZACIVSA-N 1 2 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/nfs/dbraw/zinc/93/54/00/1175935400.db2.gz YZFNRYHVXVLIQZ-TZMCWYRMSA-N 1 2 266.385 1.426 10 30 CDEELO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001698791237 1175935405 /nfs/dbraw/zinc/93/54/05/1175935405.db2.gz YZFNRYHVXVLIQZ-TZMCWYRMSA-N 1 2 266.385 1.426 10 30 CDEELO C=C[C@](C)(O)CC(=O)NC/C=C/C[NH2+]Cc1cc(C)on1 ZINC001699251800 1176176083 /nfs/dbraw/zinc/17/60/83/1176176083.db2.gz ONANIQGSYSIJFK-NFAHFFEMSA-N 1 2 293.367 1.072 10 30 CDEELO C=C(C)CCC(=O)NCC1(O)C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001699919085 1176681554 /nfs/dbraw/zinc/68/15/54/1176681554.db2.gz ZDPUOWKPLIHHBE-KBPBESRZSA-N 1 2 296.411 1.073 10 30 CDEELO C=C(C)CCC(=O)NCC1(O)C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001699919087 1176681785 /nfs/dbraw/zinc/68/17/85/1176681785.db2.gz ZDPUOWKPLIHHBE-UONOGXRCSA-N 1 2 296.411 1.073 10 30 CDEELO C[C@@H](NCC#N)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001699941471 1176690487 /nfs/dbraw/zinc/69/04/87/1176690487.db2.gz NSYRISGKXBYPQJ-NEPJUHHUSA-N 1 2 297.362 1.527 10 30 CDEELO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)C(C)C)O2 ZINC001700205292 1176797748 /nfs/dbraw/zinc/79/77/48/1176797748.db2.gz MZXSHELQMUAARJ-KBPBESRZSA-N 1 2 280.412 1.814 10 30 CDEELO C#CC[N@H+]1Cc2ccc(CNC(=O)COCCC)cc2C1 ZINC001700254135 1176815607 /nfs/dbraw/zinc/81/56/07/1176815607.db2.gz XYKWZTSFYQOIQL-UHFFFAOYSA-N 1 2 286.375 1.678 10 30 CDEELO C#CC[N@@H+]1Cc2ccc(CNC(=O)COCCC)cc2C1 ZINC001700254135 1176815616 /nfs/dbraw/zinc/81/56/16/1176815616.db2.gz XYKWZTSFYQOIQL-UHFFFAOYSA-N 1 2 286.375 1.678 10 30 CDEELO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1nocc1C ZINC001700450675 1176936978 /nfs/dbraw/zinc/93/69/78/1176936978.db2.gz CYISCVDZSLJIAO-GFCCVEGCSA-N 1 2 265.357 1.886 10 30 CDEELO C=CCCC(=O)NC[C@@H](C)[N@H+](C)Cc1nocc1C ZINC001700450675 1176936974 /nfs/dbraw/zinc/93/69/74/1176936974.db2.gz CYISCVDZSLJIAO-GFCCVEGCSA-N 1 2 265.357 1.886 10 30 CDEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001700881256 1177175010 /nfs/dbraw/zinc/17/50/10/1177175010.db2.gz OLGUOEPZARCOHQ-NEPJUHHUSA-N 1 2 281.400 1.043 10 30 CDEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001700881256 1177175012 /nfs/dbraw/zinc/17/50/12/1177175012.db2.gz OLGUOEPZARCOHQ-NEPJUHHUSA-N 1 2 281.400 1.043 10 30 CDEELO CC#CC[NH2+]C1CC(N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001701018972 1177242182 /nfs/dbraw/zinc/24/21/82/1177242182.db2.gz KVEPNJZTUHURGS-RTBKNWGFSA-N 1 2 280.265 1.489 10 30 CDEELO CC#CC[NH2+]C1CC(N(C)C(=O)[C@H](F)C(F)(F)F)C1 ZINC001701018972 1177242188 /nfs/dbraw/zinc/24/21/88/1177242188.db2.gz KVEPNJZTUHURGS-RTBKNWGFSA-N 1 2 280.265 1.489 10 30 CDEELO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CCC)OCC ZINC001707052590 1177929738 /nfs/dbraw/zinc/92/97/38/1177929738.db2.gz WAXBVXXGFHOEAS-KGLIPLIRSA-N 1 2 266.385 1.358 10 30 CDEELO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CCC)OCC ZINC001707052590 1177929748 /nfs/dbraw/zinc/92/97/48/1177929748.db2.gz WAXBVXXGFHOEAS-KGLIPLIRSA-N 1 2 266.385 1.358 10 30 CDEELO Cc1nc(C[N@@H+](C)CCCNC(=O)[C@@H](C)C#N)co1 ZINC001707367318 1177993982 /nfs/dbraw/zinc/99/39/82/1177993982.db2.gz UBDWQGCOVCOVKR-JTQLQIEISA-N 1 2 264.329 1.081 10 30 CDEELO Cc1nc(C[N@H+](C)CCCNC(=O)[C@@H](C)C#N)co1 ZINC001707367318 1177993989 /nfs/dbraw/zinc/99/39/89/1177993989.db2.gz UBDWQGCOVCOVKR-JTQLQIEISA-N 1 2 264.329 1.081 10 30 CDEELO C=CCCC(=O)NC[C@H](C)[NH2+]Cc1nc(C(C)C)no1 ZINC001714220704 1179028689 /nfs/dbraw/zinc/02/86/89/1179028689.db2.gz SGYBDPVCBNWDOS-NSHDSACASA-N 1 2 280.372 1.754 10 30 CDEELO CC(C)C[C@@H](CNCC#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001714924769 1179455263 /nfs/dbraw/zinc/45/52/63/1179455263.db2.gz DQDDDAWFGAEGNR-KBPBESRZSA-N 1 2 291.399 1.478 10 30 CDEELO C#Cc1ccc(C(=O)NC2C[NH+](CCOCC3CC3)C2)cc1 ZINC001714948320 1179472999 /nfs/dbraw/zinc/47/29/99/1179472999.db2.gz TYMQLEOOBPZKPO-UHFFFAOYSA-N 1 2 298.386 1.509 10 30 CDEELO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OCCCCCC ZINC001714987326 1179493690 /nfs/dbraw/zinc/49/36/90/1179493690.db2.gz TUBUAPXELXSFNW-PMPSAXMXSA-N 1 2 292.423 1.890 10 30 CDEELO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OCCCCCC ZINC001714987326 1179493693 /nfs/dbraw/zinc/49/36/93/1179493693.db2.gz TUBUAPXELXSFNW-PMPSAXMXSA-N 1 2 292.423 1.890 10 30 CDEELO C#CC[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCCC1 ZINC001715299818 1179616154 /nfs/dbraw/zinc/61/61/54/1179616154.db2.gz QWPDIXIURFBEHR-VIFPVBQESA-N 1 2 280.265 1.539 10 30 CDEELO C#CC[NH2+]C1(CNC(=O)[C@H](F)C(F)(F)F)CCCC1 ZINC001715299818 1179616156 /nfs/dbraw/zinc/61/61/56/1179616156.db2.gz QWPDIXIURFBEHR-VIFPVBQESA-N 1 2 280.265 1.539 10 30 CDEELO CCN(CC[NH2+]Cc1nc(C2CC2)no1)C(=O)[C@H](C)C#N ZINC001715724785 1179779602 /nfs/dbraw/zinc/77/96/02/1179779602.db2.gz ZIGIUAVRHBEBTG-SNVBAGLBSA-N 1 2 291.355 1.045 10 30 CDEELO CC(C)C[C@@H](C(=O)N[C@@H](C)CNCC#N)n1cc[nH+]c1 ZINC001715987720 1179966098 /nfs/dbraw/zinc/96/60/98/1179966098.db2.gz QNFRESZNFPMDOI-STQMWFEESA-N 1 2 277.372 1.088 10 30 CDEELO C=CCOCC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c1ncccn1 ZINC001716016877 1179989819 /nfs/dbraw/zinc/98/98/19/1179989819.db2.gz QHDVLAXHVSFLRR-STQMWFEESA-N 1 2 292.383 1.177 10 30 CDEELO C=CCOCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1ncccn1 ZINC001716016877 1179989826 /nfs/dbraw/zinc/98/98/26/1179989826.db2.gz QHDVLAXHVSFLRR-STQMWFEESA-N 1 2 292.383 1.177 10 30 CDEELO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)c1ccco1 ZINC001716663232 1180347760 /nfs/dbraw/zinc/34/77/60/1180347760.db2.gz UKBYROBEYCOCJL-STQMWFEESA-N 1 2 260.337 1.597 10 30 CDEELO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)c1ccco1 ZINC001716663232 1180347764 /nfs/dbraw/zinc/34/77/64/1180347764.db2.gz UKBYROBEYCOCJL-STQMWFEESA-N 1 2 260.337 1.597 10 30 CDEELO C=CCOCC[NH+]1CC(N(C)C(=O)/C(C)=C/C)C1 ZINC001716738689 1180392008 /nfs/dbraw/zinc/39/20/08/1180392008.db2.gz MMYUTGUJTHYWNH-WUXMJOGZSA-N 1 2 252.358 1.298 10 30 CDEELO C#CCCCC(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)C[C@@H]1C ZINC001717810375 1180870611 /nfs/dbraw/zinc/87/06/11/1180870611.db2.gz UWCZQRCPIFTPLF-WCQYABFASA-N 1 2 290.367 1.261 10 30 CDEELO C=C(C)C[NH2+]C[C@H](NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001723300333 1181534497 /nfs/dbraw/zinc/53/44/97/1181534497.db2.gz KGUTVBFMGIVHFY-UWVGGRQHSA-N 1 2 282.281 1.947 10 30 CDEELO C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001723300333 1181534506 /nfs/dbraw/zinc/53/45/06/1181534506.db2.gz KGUTVBFMGIVHFY-UWVGGRQHSA-N 1 2 282.281 1.947 10 30 CDEELO C=CCOCC[NH+]1CC(N(C)C(=O)c2cscn2)C1 ZINC001723742313 1181599105 /nfs/dbraw/zinc/59/91/05/1181599105.db2.gz ZYHHJODWVJIBEH-UHFFFAOYSA-N 1 2 281.381 1.102 10 30 CDEELO CN(C(=O)C#CC1CC1)C1C[NH+](CCOC2CCC2)C1 ZINC001723760714 1181602017 /nfs/dbraw/zinc/60/20/17/1181602017.db2.gz NTMAZUDOXPNKMI-UHFFFAOYSA-N 1 2 276.380 1.112 10 30 CDEELO C=C[C@H](CC)CC(=O)N(C)C1C[NH+](CCOC)C1 ZINC001723790282 1181604258 /nfs/dbraw/zinc/60/42/58/1181604258.db2.gz DQQWVFPNWSXJEN-GFCCVEGCSA-N 1 2 254.374 1.378 10 30 CDEELO CC#CCCCC(=O)N[C@@H]1COC2(C[NH+](CC)C2)C1 ZINC001724878752 1181784746 /nfs/dbraw/zinc/78/47/46/1181784746.db2.gz DBZQXESCWYXBGQ-ZDUSSCGKSA-N 1 2 264.369 1.159 10 30 CDEELO CC#CC[NH+]1CC(N2CCN(C(=O)CCCCC)CC2)C1 ZINC001724976390 1181812889 /nfs/dbraw/zinc/81/28/89/1181812889.db2.gz ARGPVUSNLXXVRU-UHFFFAOYSA-N 1 2 291.439 1.418 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)C[C@H]2CCC[C@H]2C)C1 ZINC001725197152 1181919054 /nfs/dbraw/zinc/91/90/54/1181919054.db2.gz KSQAHUZSEVOYEJ-HUUCEWRRSA-N 1 2 294.439 1.942 10 30 CDEELO C=C(C)CCC(=O)N[C@@H](C)C1C[NH+](Cc2ccn(C)n2)C1 ZINC001725248605 1181938324 /nfs/dbraw/zinc/93/83/24/1181938324.db2.gz MPZYZSPJGCJGIV-ZDUSSCGKSA-N 1 2 290.411 1.713 10 30 CDEELO CCc1nnc(C[NH2+][C@H](C)CN(C)C(=O)C#CC(C)C)o1 ZINC001725485549 1182020580 /nfs/dbraw/zinc/02/05/80/1182020580.db2.gz PBCSJYPVKRLGHG-GFCCVEGCSA-N 1 2 292.383 1.228 10 30 CDEELO C=CCCCC(=O)N1CC[C@H]([NH2+]Cc2csnn2)[C@H]1C ZINC001725569252 1182052642 /nfs/dbraw/zinc/05/26/42/1182052642.db2.gz SNYUPWATAWPAHD-YPMHNXCESA-N 1 2 294.424 1.973 10 30 CDEELO Cc1cnc(C[NH2+]C/C=C\CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001732844111 1183154575 /nfs/dbraw/zinc/15/45/75/1183154575.db2.gz UQFUBNSDOLYXSR-IHWYPQMZSA-N 1 2 299.334 1.259 10 30 CDEELO C=CCC(CC=C)C(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001733211192 1183337481 /nfs/dbraw/zinc/33/74/81/1183337481.db2.gz DCIBRGFDLILFRL-GXTWGEPZSA-N 1 2 293.411 1.080 10 30 CDEELO C=CCC(CC=C)C(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001733211192 1183337488 /nfs/dbraw/zinc/33/74/88/1183337488.db2.gz DCIBRGFDLILFRL-GXTWGEPZSA-N 1 2 293.411 1.080 10 30 CDEELO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CC(C)(C)C=C ZINC001733701671 1183501197 /nfs/dbraw/zinc/50/11/97/1183501197.db2.gz HGNJEOFGXPCMEK-AWEZNQCLSA-N 1 2 278.396 1.429 10 30 CDEELO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC(C)(C)C=C ZINC001733701671 1183501201 /nfs/dbraw/zinc/50/12/01/1183501201.db2.gz HGNJEOFGXPCMEK-AWEZNQCLSA-N 1 2 278.396 1.429 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001737578103 1184161682 /nfs/dbraw/zinc/16/16/82/1184161682.db2.gz TZEXYGBVRVHGGT-SNVBAGLBSA-N 1 2 292.383 1.094 10 30 CDEELO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(C)cc(C#N)cc1C 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C=C[C@](C)(CC)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000135084271 329663824 /nfs/dbraw/zinc/66/38/24/329663824.db2.gz OJMRUXUORHSQJP-SQWLQELKSA-N 1 2 280.412 1.768 10 30 CDEELO C=C(C)CN(CC)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000079252638 330214647 /nfs/dbraw/zinc/21/46/47/330214647.db2.gz UIVBMNBNSNOYRR-ZDUSSCGKSA-N 1 2 269.389 1.315 10 30 CDEELO N/C(=N/O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000079812364 330338042 /nfs/dbraw/zinc/33/80/42/330338042.db2.gz QOTNFMTZMOGBSO-GFCCVEGCSA-N 1 2 251.305 1.927 10 30 CDEELO N/C(=N/O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000079812364 330338043 /nfs/dbraw/zinc/33/80/43/330338043.db2.gz QOTNFMTZMOGBSO-GFCCVEGCSA-N 1 2 251.305 1.927 10 30 CDEELO CC#CCCCC(=O)N(C)CC[NH2+]Cc1nc(C)no1 ZINC001691437661 1159188359 /nfs/dbraw/zinc/18/83/59/1159188359.db2.gz MWCVXCPORGTVGS-UHFFFAOYSA-N 1 2 278.356 1.120 10 30 CDEELO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C(C)(C)C)cn1 ZINC000566309833 334642079 /nfs/dbraw/zinc/64/20/79/334642079.db2.gz UMYISHWZQKMEAQ-INIZCTEOSA-N 1 2 288.395 1.953 10 30 CDEELO Cc1ccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000567165410 334686606 /nfs/dbraw/zinc/68/66/06/334686606.db2.gz SQLNQBVZUXYOMI-ZDUSSCGKSA-N 1 2 265.382 1.559 10 30 CDEELO C=CC[NH+]1CC(NC(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001692220129 1175704699 /nfs/dbraw/zinc/70/46/99/1175704699.db2.gz LJMPFTPONIPAAV-GFCCVEGCSA-N 1 2 262.357 1.129 10 30 CDEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCC(C)C)C1 ZINC001698781181 1175932415 /nfs/dbraw/zinc/93/24/15/1175932415.db2.gz QXWJGSRUIBOVKM-AWEZNQCLSA-N 1 2 268.401 1.816 10 30 CDEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)CCC(C)C)C1 ZINC001698781181 1175932417 /nfs/dbraw/zinc/93/24/17/1175932417.db2.gz QXWJGSRUIBOVKM-AWEZNQCLSA-N 1 2 268.401 1.816 10 30 CDEELO Cc1noc(C[NH2+]C[C@H](C)N(C)C(=O)C#CC(C)(C)C)n1 ZINC001268064010 1159769924 /nfs/dbraw/zinc/76/99/24/1159769924.db2.gz RABPQUGFYKZKLO-NSHDSACASA-N 1 2 292.383 1.364 10 30 CDEELO CCC#C[C@H](C)[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000677047992 482519368 /nfs/dbraw/zinc/51/93/68/482519368.db2.gz 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Cc1ncc(C[N@H+](C)CCN(C(=O)[C@H](C)C#N)C(C)C)o1 ZINC001442099739 964865446 /nfs/dbraw/zinc/86/54/46/964865446.db2.gz HHZPZPXXMKXRFT-GFCCVEGCSA-N 1 2 292.383 1.812 10 30 CDEELO C#Cc1ccc(CNC(=O)CCc2[nH+]ccn2C)cc1 ZINC001347021477 965335438 /nfs/dbraw/zinc/33/54/38/965335438.db2.gz PJNZNWOKSYNJLB-UHFFFAOYSA-N 1 2 267.332 1.650 10 30 CDEELO C=CC[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C(=O)OCC ZINC001350718254 966744308 /nfs/dbraw/zinc/74/43/08/966744308.db2.gz YKMBUUGLATUWHW-GFCCVEGCSA-N 1 2 293.367 1.551 10 30 CDEELO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@]2(C)CCOC2)C1 ZINC001448331770 967075119 /nfs/dbraw/zinc/07/51/19/967075119.db2.gz JWDYHOHRHBHYIQ-RISCZKNCSA-N 1 2 286.803 1.602 10 30 CDEELO C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001542111836 967213818 /nfs/dbraw/zinc/21/38/18/967213818.db2.gz XYODXVVXLQHSPO-UHFFFAOYSA-N 1 2 296.330 1.031 10 30 CDEELO C=CC[N@@H+](C)CCN(CC)C(=O)C(F)C(F)(F)F ZINC001467728419 970096871 /nfs/dbraw/zinc/09/68/71/970096871.db2.gz IWKYMHHUTMOLMY-VIFPVBQESA-N 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292.404 1.110 10 30 CDEELO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CSC ZINC001480091889 971573179 /nfs/dbraw/zinc/57/31/79/971573179.db2.gz DJTDXEQAXXBPQC-UPJWGTAASA-N 1 2 266.410 1.294 10 30 CDEELO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CSC ZINC001480091889 971573189 /nfs/dbraw/zinc/57/31/89/971573189.db2.gz DJTDXEQAXXBPQC-UPJWGTAASA-N 1 2 266.410 1.294 10 30 CDEELO Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)C#CC2CC2)no1 ZINC001569115030 1169662734 /nfs/dbraw/zinc/66/27/34/1169662734.db2.gz HEAKXALRXUOOFM-LLVKDONJSA-N 1 2 275.352 1.333 10 30 CDEELO Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)C#CC2CC2)no1 ZINC001569115030 1169662742 /nfs/dbraw/zinc/66/27/42/1169662742.db2.gz HEAKXALRXUOOFM-LLVKDONJSA-N 1 2 275.352 1.333 10 30 CDEELO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1nc(CS(C)(=O)=O)n[nH]1 ZINC001334708241 954237345 /nfs/dbraw/zinc/23/73/45/954237345.db2.gz XVPWWFQHMJZUSN-ZJUUUORDSA-N 1 2 286.401 1.040 10 30 CDEELO C#CC[N@H+]1CCCN(C(=O)CCC(=O)c2ccccn2)CC1 ZINC001293716309 954404999 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N#Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)ccc1F ZINC000334223052 357553785 /nfs/dbraw/zinc/55/37/85/357553785.db2.gz WJKKIEDHDIYJNB-NSHDSACASA-N 1 2 284.294 1.708 10 30 CDEELO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000644784990 358040911 /nfs/dbraw/zinc/04/09/11/358040911.db2.gz KKIMZFUCFITRIA-XQQFMLRXSA-N 1 2 275.352 1.153 10 30 CDEELO Cc1cc(NCC[NH+]2CCOCC2)cc(C#N)c1[N+](=O)[O-] ZINC000596055046 358655962 /nfs/dbraw/zinc/65/59/62/358655962.db2.gz CRFCAFKDNSGPOL-UHFFFAOYSA-N 1 2 290.323 1.519 10 30 CDEELO CON=CC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000862860854 684847275 /nfs/dbraw/zinc/84/72/75/684847275.db2.gz RNNYRTOGAGIRKR-UHFFFAOYSA-N 1 2 279.344 1.069 10 30 CDEELO C=CCN(C(=O)Cc1[nH]cc(CC)[nH+]1)[C@H](C)COC ZINC000636160648 363660252 /nfs/dbraw/zinc/66/02/52/363660252.db2.gz OXFFXDGICQBGME-LLVKDONJSA-N 1 2 265.357 1.564 10 30 CDEELO N#Cc1ccnc(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000479438134 359428009 /nfs/dbraw/zinc/42/80/09/359428009.db2.gz HWEFDVZZAJYFQY-UHFFFAOYSA-N 1 2 267.292 1.190 10 30 CDEELO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1c[nH+]c[nH]1 ZINC000088753536 366553664 /nfs/dbraw/zinc/55/36/64/366553664.db2.gz CXJIEBJHOZPORL-SNVBAGLBSA-N 1 2 270.292 1.365 10 30 CDEELO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1c[nH]c[nH+]1 ZINC000088753536 366553669 /nfs/dbraw/zinc/55/36/69/366553669.db2.gz CXJIEBJHOZPORL-SNVBAGLBSA-N 1 2 270.292 1.365 10 30 CDEELO C=CCOc1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000337552726 360236557 /nfs/dbraw/zinc/23/65/57/360236557.db2.gz SVMNPSIALHGOMR-CYBMUJFWSA-N 1 2 274.364 1.914 10 30 CDEELO C=CCOc1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000337552726 360236565 /nfs/dbraw/zinc/23/65/65/360236565.db2.gz SVMNPSIALHGOMR-CYBMUJFWSA-N 1 2 274.364 1.914 10 30 CDEELO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000563220355 360901042 /nfs/dbraw/zinc/90/10/42/360901042.db2.gz LPGIAXCNNSSZMC-FOGDFJRCSA-N 1 2 291.317 1.925 10 30 CDEELO C[C@H]1C[N@H+](CCOCCC#N)CCN1CC(F)(F)F ZINC000339058270 361249077 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C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](C)[C@H](C)O1 ZINC000584232032 327071057 /nfs/dbraw/zinc/07/10/57/327071057.db2.gz AKRGCGKHPXMRNU-WOPDTQHZSA-N 1 2 285.351 1.599 10 30 CDEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H](C)CC)C2 ZINC001750932847 1159201161 /nfs/dbraw/zinc/20/11/61/1159201161.db2.gz BMYIQRBHPOBDKT-LLVKDONJSA-N 1 2 291.420 1.797 10 30 CDEELO C=CCN(C(=O)C[C@@H]([NH3+])C(F)F)[C@@H](C)COC ZINC000724762078 1159262373 /nfs/dbraw/zinc/26/23/73/1159262373.db2.gz MHURZCITWXRESJ-DTWKUNHWSA-N 1 2 250.289 1.018 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)COc2c(C)cccc2C)C1 ZINC001267668615 1159563266 /nfs/dbraw/zinc/56/32/66/1159563266.db2.gz QMHXGTQLFVJYPY-UHFFFAOYSA-N 1 2 286.375 1.506 10 30 CDEELO C=C(C)C[NH+]1CC(NC(=O)[C@@H](Cc2ccccc2)OC)C1 ZINC001267671242 1159564534 /nfs/dbraw/zinc/56/45/34/1159564534.db2.gz YRHKOBZHDUPEPQ-MRXNPFEDSA-N 1 2 288.391 1.621 10 30 CDEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)CC2CC(F)(F)C2)C1 ZINC001268025117 1159662094 /nfs/dbraw/zinc/66/20/94/1159662094.db2.gz NSJHQLIAOGQZED-GFCCVEGCSA-N 1 2 288.338 1.425 10 30 CDEELO C=CC[N@H+]1CCO[C@H](CNC(=O)CC2CC(F)(F)C2)C1 ZINC001268025117 1159662098 /nfs/dbraw/zinc/66/20/98/1159662098.db2.gz NSJHQLIAOGQZED-GFCCVEGCSA-N 1 2 288.338 1.425 10 30 CDEELO C=CCOCCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000679471468 483368728 /nfs/dbraw/zinc/36/87/28/483368728.db2.gz LOEGUOISDWVQRH-CYBMUJFWSA-N 1 2 292.383 1.300 10 30 CDEELO C=CCOCCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000679471468 483368733 /nfs/dbraw/zinc/36/87/33/483368733.db2.gz LOEGUOISDWVQRH-CYBMUJFWSA-N 1 2 292.383 1.300 10 30 CDEELO N#CC[N@H+](CC1CC1)C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001670984959 1161399722 /nfs/dbraw/zinc/39/97/22/1161399722.db2.gz KAYXKZLHCXZFPG-UHFFFAOYSA-N 1 2 287.367 1.250 10 30 CDEELO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001670984959 1161399726 /nfs/dbraw/zinc/39/97/26/1161399726.db2.gz KAYXKZLHCXZFPG-UHFFFAOYSA-N 1 2 287.367 1.250 10 30 CDEELO CCC(C)(CC)C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001733239302 1183363966 /nfs/dbraw/zinc/36/39/66/1183363966.db2.gz YDZYPTYYPYVQBI-AWEZNQCLSA-N 1 2 280.412 1.653 10 30 CDEELO CCC(C)(CC)C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001733239302 1183363968 /nfs/dbraw/zinc/36/39/68/1183363968.db2.gz YDZYPTYYPYVQBI-AWEZNQCLSA-N 1 2 280.412 1.653 10 30 CDEELO CCCN(CC(F)(F)F)c1cc[nH+]c(/C(N)=N/O)c1 ZINC000061813808 521587412 /nfs/dbraw/zinc/58/74/12/521587412.db2.gz BGCZACGYEYPQPL-UHFFFAOYSA-N 1 2 276.262 1.955 10 30 CDEELO CCn1c(SCCCC[C@](C)(C#N)[NH2+]C)n[nH]c1=O ZINC000061607188 523235296 /nfs/dbraw/zinc/23/52/96/523235296.db2.gz MXFISEWMCWVAOH-GFCCVEGCSA-N 1 2 283.401 1.355 10 30 CDEELO C=CCCC(=O)N[C@H](C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001677888224 1174399757 /nfs/dbraw/zinc/39/97/57/1174399757.db2.gz PVPCZWYXCUSTKJ-VXGBXAGGSA-N 1 2 292.383 1.318 10 30 CDEELO C=CCCC(=O)N[C@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001677888224 1174399765 /nfs/dbraw/zinc/39/97/65/1174399765.db2.gz PVPCZWYXCUSTKJ-VXGBXAGGSA-N 1 2 292.383 1.318 10 30 CDEELO N#Cc1ccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)o1 ZINC000339859814 526597924 /nfs/dbraw/zinc/59/79/24/526597924.db2.gz KOUJBSDIKPPVJN-UHFFFAOYSA-N 1 2 298.224 1.840 10 30 CDEELO C=CCC(C)(C)CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000352508357 526999896 /nfs/dbraw/zinc/99/98/96/526999896.db2.gz GPPNFHUWQQPNFA-UHFFFAOYSA-N 1 2 280.412 1.960 10 30 CDEELO CC1(C#N)CC[NH+]([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000335750941 528841770 /nfs/dbraw/zinc/84/17/70/528841770.db2.gz FZLFYEKSXYQJFD-JTQLQIEISA-N 1 2 289.301 1.775 10 30 CDEELO CC(=O)c1ccc(C#N)cc1NCC[N@H+]1CCOC[C@@H]1C ZINC000754027963 576874385 /nfs/dbraw/zinc/87/43/85/576874385.db2.gz OEJATYJAZGQPFV-LBPRGKRZSA-N 1 2 287.363 1.893 10 30 CDEELO CC(=O)c1ccc(C#N)cc1NCC[N@@H+]1CCOC[C@@H]1C ZINC000754027963 576874387 /nfs/dbraw/zinc/87/43/87/576874387.db2.gz OEJATYJAZGQPFV-LBPRGKRZSA-N 1 2 287.363 1.893 10 30 CDEELO CC(=O)c1ccc(C#N)cc1NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000754025321 576874419 /nfs/dbraw/zinc/87/44/19/576874419.db2.gz NDKLNGIJNZFFEA-LBPRGKRZSA-N 1 2 287.363 1.893 10 30 CDEELO CC(=O)c1ccc(C#N)cc1NCC[N@H+]1CCO[C@@H](C)C1 ZINC000754025321 576874421 /nfs/dbraw/zinc/87/44/21/576874421.db2.gz NDKLNGIJNZFFEA-LBPRGKRZSA-N 1 2 287.363 1.893 10 30 CDEELO Cc1[nH+]c2ccccn2c1CN1CCN(C2CC2)[C@@H](C#N)C1 ZINC000759341729 577171651 /nfs/dbraw/zinc/17/16/51/577171651.db2.gz KTMZXLXFRWCSQH-HNNXBMFYSA-N 1 2 295.390 1.815 10 30 CDEELO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nc(C)no2)[C@@H]1CC ZINC001689167117 1175103984 /nfs/dbraw/zinc/10/39/84/1175103984.db2.gz WNQMDXCHCBQHCG-QWHCGFSZSA-N 1 2 292.383 1.813 10 30 CDEELO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)no2)[C@@H]1CC ZINC001689167117 1175103987 /nfs/dbraw/zinc/10/39/87/1175103987.db2.gz WNQMDXCHCBQHCG-QWHCGFSZSA-N 1 2 292.383 1.813 10 30 CDEELO C=CC[NH+]1CCC(N(C)C(=O)C(F)C(F)(F)F)CC1 ZINC001690023508 1175347573 /nfs/dbraw/zinc/34/75/73/1175347573.db2.gz VSPPFVWVVHQQND-JTQLQIEISA-N 1 2 282.281 1.996 10 30 CDEELO C=CC[NH+]1CCC(N(C)C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001690023508 1175347582 /nfs/dbraw/zinc/34/75/82/1175347582.db2.gz VSPPFVWVVHQQND-JTQLQIEISA-N 1 2 282.281 1.996 10 30 CDEELO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(COC)CCC1 ZINC001690208263 1175404048 /nfs/dbraw/zinc/40/40/48/1175404048.db2.gz CTFSTYGGTITUED-GASCZTMLSA-N 1 2 290.407 1.502 10 30 CDEELO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(COC)CCC1 ZINC001690208263 1175404051 /nfs/dbraw/zinc/40/40/51/1175404051.db2.gz CTFSTYGGTITUED-GASCZTMLSA-N 1 2 290.407 1.502 10 30 CDEELO Cc1nc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)C#CC3CC3)C2)no1 ZINC001690275781 1175419981 /nfs/dbraw/zinc/41/99/81/1175419981.db2.gz SSVMLTDUMXVNDY-OASPWFOLSA-N 1 2 288.351 1.089 10 30 CDEELO C#CC[NH+]1CC(N2CCN(C(=O)[C@](C)(C=C)CC)CC2)C1 ZINC000941546740 613115651 /nfs/dbraw/zinc/11/56/51/613115651.db2.gz AVSQNMWAOACDGG-QGZVFWFLSA-N 1 2 289.423 1.050 10 30 CDEELO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000930603401 617467380 /nfs/dbraw/zinc/46/73/80/617467380.db2.gz MHUUWJLEZNSHMP-ZDUSSCGKSA-N 1 2 274.324 1.226 10 30 CDEELO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000930603401 617467381 /nfs/dbraw/zinc/46/73/81/617467381.db2.gz MHUUWJLEZNSHMP-ZDUSSCGKSA-N 1 2 274.324 1.226 10 30 CDEELO C[C@@H](CC#N)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927764027 618649905 /nfs/dbraw/zinc/64/99/05/618649905.db2.gz PJCDETZLCONXJW-VIFPVBQESA-N 1 2 266.370 1.371 10 30 CDEELO C=CCCC[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000928324101 618817041 /nfs/dbraw/zinc/81/70/41/618817041.db2.gz UXCSKNIBKMFTSJ-YPMHNXCESA-N 1 2 293.367 1.602 10 30 CDEELO C=CCCC[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(=O)OC ZINC000928324101 618817042 /nfs/dbraw/zinc/81/70/42/618817042.db2.gz UXCSKNIBKMFTSJ-YPMHNXCESA-N 1 2 293.367 1.602 10 30 CDEELO C=CCOc1ccccc1C[NH2+][C@H](C)C1N=NC(=O)N1C ZINC000895184802 619437847 /nfs/dbraw/zinc/43/78/47/619437847.db2.gz VGOIKOAATQJYJK-LLVKDONJSA-N 1 2 288.351 1.936 10 30 CDEELO C#CC1(O)CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000895382322 619619609 /nfs/dbraw/zinc/61/96/09/619619609.db2.gz CXSCRXJAQOFBKZ-UHFFFAOYSA-N 1 2 289.766 1.948 10 30 CDEELO C#CC1(O)CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000895385461 619626674 /nfs/dbraw/zinc/62/66/74/619626674.db2.gz CMYOFPKNVFTBSH-UHFFFAOYSA-N 1 2 259.353 1.180 10 30 CDEELO C#CC[C@@H](CO)[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000895490044 619692382 /nfs/dbraw/zinc/69/23/82/619692382.db2.gz KGZKVLPSELWPGF-QWHCGFSZSA-N 1 2 262.357 1.400 10 30 CDEELO C#CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898500528 621775183 /nfs/dbraw/zinc/77/51/83/621775183.db2.gz YVGYOPPWLJBHPO-GFCCVEGCSA-N 1 2 254.349 1.586 10 30 CDEELO C#CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898500528 621775185 /nfs/dbraw/zinc/77/51/85/621775185.db2.gz YVGYOPPWLJBHPO-GFCCVEGCSA-N 1 2 254.349 1.586 10 30 CDEELO C/C(=C/C(=O)N(C)C1(C#N)CCC1)C[NH+]1CCOCC1 ZINC000900354724 622903910 /nfs/dbraw/zinc/90/39/10/622903910.db2.gz LTTVPSMVEXLGNX-RAXLEYEMSA-N 1 2 277.368 1.170 10 30 CDEELO C/C(=C\C(=O)N(C)c1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000900377394 622954001 /nfs/dbraw/zinc/95/40/01/622954001.db2.gz RJTVQTPZSSLLFC-GXDHUFHOSA-N 1 2 299.374 1.800 10 30 CDEELO C=CC[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OC ZINC000905762942 626968012 /nfs/dbraw/zinc/96/80/12/626968012.db2.gz PTJRJSXLFWBDBP-GFCCVEGCSA-N 1 2 298.383 1.561 10 30 CDEELO C=C(C)[C@@H](CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)OCC ZINC000913450441 630484294 /nfs/dbraw/zinc/48/42/94/630484294.db2.gz YNRWWGOSTWBVFH-UONOGXRCSA-N 1 2 292.383 1.254 10 30 CDEELO N#C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC000921553687 633076781 /nfs/dbraw/zinc/07/67/81/633076781.db2.gz LKHXJPVCMGMGQR-AWEZNQCLSA-N 1 2 286.379 1.960 10 30 CDEELO N#CC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC1)C(F)(F)F ZINC000928803741 695337228 /nfs/dbraw/zinc/33/72/28/695337228.db2.gz AYEUZPFADMGUNC-ZJUUUORDSA-N 1 2 275.274 1.574 10 30 CDEELO N#CC[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CC1)C(F)(F)F ZINC000928803741 695337233 /nfs/dbraw/zinc/33/72/33/695337233.db2.gz AYEUZPFADMGUNC-ZJUUUORDSA-N 1 2 275.274 1.574 10 30 CDEELO N#Cc1cccc2c1CN(C(=O)c1n[nH]c3c1C[NH2+]CC3)C2 ZINC000846701300 695255759 /nfs/dbraw/zinc/25/57/59/695255759.db2.gz UZSMOBWJNSOFSE-UHFFFAOYSA-N 1 2 293.330 1.083 10 30 CDEELO N#C[C@]1(C(=O)NCCCCn2cc[nH+]c2)CCCOC1 ZINC000865804912 695311502 /nfs/dbraw/zinc/31/15/02/695311502.db2.gz KYMHYCLDCFJIEN-CQSZACIVSA-N 1 2 276.340 1.100 10 30 CDEELO C#CCCOC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000859039871 695328816 /nfs/dbraw/zinc/32/88/16/695328816.db2.gz DQYHIMQLPNQCBF-CQSZACIVSA-N 1 2 280.368 1.333 10 30 CDEELO C#CC1(O)CC[NH+](CC(=O)OCc2ccccc2)CC1 ZINC000931143418 695379975 /nfs/dbraw/zinc/37/99/75/695379975.db2.gz IJCKQRRICCLDDI-UHFFFAOYSA-N 1 2 273.332 1.190 10 30 CDEELO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cccc(C#N)c1O ZINC000866303357 695397442 /nfs/dbraw/zinc/39/74/42/695397442.db2.gz QZKHONXQIOOSGW-ZYHUDNBSSA-N 1 2 285.347 1.678 10 30 CDEELO C#C[C@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000848280042 695426862 /nfs/dbraw/zinc/42/68/62/695426862.db2.gz AONYBCQGIVFJJS-ZDUSSCGKSA-N 1 2 280.331 1.753 10 30 CDEELO C#CC[N@@H+](CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000851839070 695427347 /nfs/dbraw/zinc/42/73/47/695427347.db2.gz CXYKVVCHXIFBOF-ZDUSSCGKSA-N 1 2 255.383 1.465 10 30 CDEELO C#CC[N@H+](CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000851839070 695427353 /nfs/dbraw/zinc/42/73/53/695427353.db2.gz CXYKVVCHXIFBOF-ZDUSSCGKSA-N 1 2 255.383 1.465 10 30 CDEELO C=C(C)C(C)(C)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870057154 695595861 /nfs/dbraw/zinc/59/58/61/695595861.db2.gz AKUIDCOCJBZOPT-CQSZACIVSA-N 1 2 296.411 1.148 10 30 CDEELO C#C[C@H]1CCCC[N@@H+]1Cc1cnc(C(=O)OC)cn1 ZINC000934516028 695679115 /nfs/dbraw/zinc/67/91/15/695679115.db2.gz VRKZFTNHQMEWQO-LBPRGKRZSA-N 1 2 259.309 1.251 10 30 CDEELO C#C[C@H]1CCCC[N@H+]1Cc1cnc(C(=O)OC)cn1 ZINC000934516028 695679109 /nfs/dbraw/zinc/67/91/09/695679109.db2.gz VRKZFTNHQMEWQO-LBPRGKRZSA-N 1 2 259.309 1.251 10 30 CDEELO C#CCC1(O)CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000880478064 695733713 /nfs/dbraw/zinc/73/37/13/695733713.db2.gz RVUFHUMBXUJNRG-UHFFFAOYSA-N 1 2 290.338 1.614 10 30 CDEELO C=CC[C@@H](C(=O)OC)[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000933614406 695774750 /nfs/dbraw/zinc/77/47/50/695774750.db2.gz NUVUAEGFMCWNLG-ZDUSSCGKSA-N 1 2 296.367 1.411 10 30 CDEELO C=CCCn1cc(C[NH2+][C@H]2C(=O)NCC2(CC)CC)nn1 ZINC000933283822 695790917 /nfs/dbraw/zinc/79/09/17/695790917.db2.gz NQOJCTMPMGOLBI-ZDUSSCGKSA-N 1 2 291.399 1.249 10 30 CDEELO C#CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000862577638 695810121 /nfs/dbraw/zinc/81/01/21/695810121.db2.gz MWGOIRHVKMSWGS-JHJVBQTASA-N 1 2 257.337 1.395 10 30 CDEELO COCCCNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000794542585 695828281 /nfs/dbraw/zinc/82/82/81/695828281.db2.gz QDHBEHKNFQLTOX-UHFFFAOYSA-N 1 2 262.357 1.664 10 30 CDEELO C=CC[N@H+](CN1C(=O)[C@@H]2CCC[C@@H]21)[C@@H](C)COC ZINC000853535155 695851383 /nfs/dbraw/zinc/85/13/83/695851383.db2.gz PWPVGFFSQNPFDB-XQQFMLRXSA-N 1 2 252.358 1.478 10 30 CDEELO C=CC[N@@H+](CN1C(=O)[C@@H]2CCC[C@@H]21)[C@@H](C)COC ZINC000853535155 695851386 /nfs/dbraw/zinc/85/13/86/695851386.db2.gz PWPVGFFSQNPFDB-XQQFMLRXSA-N 1 2 252.358 1.478 10 30 CDEELO C#CCOCC[NH2+][C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000859550684 695854029 /nfs/dbraw/zinc/85/40/29/695854029.db2.gz ZRSROGVKJCDBLX-OAHLLOKOSA-N 1 2 267.369 1.738 10 30 CDEELO C[C@@H]([NH2+]CCCOCCO)c1cccc(C#N)c1O ZINC000866335961 695860059 /nfs/dbraw/zinc/86/00/59/695860059.db2.gz GIJMITRQNNTANB-LLVKDONJSA-N 1 2 264.325 1.313 10 30 CDEELO Cn1c[nH+]cc1CCOC(=O)c1sccc1CC#N ZINC000870043377 695885307 /nfs/dbraw/zinc/88/53/07/695885307.db2.gz CLUPTHDCCOULGM-UHFFFAOYSA-N 1 2 275.333 1.947 10 30 CDEELO C#Cc1cccc(CNc2nc(N(C)C)nc(C)[nH+]2)c1 ZINC000829462989 695969999 /nfs/dbraw/zinc/96/99/99/695969999.db2.gz DQYGDMXLUNLEGV-UHFFFAOYSA-N 1 2 267.336 1.839 10 30 CDEELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000929359213 695982650 /nfs/dbraw/zinc/98/26/50/695982650.db2.gz ALEUQQMPWPKCDH-OAHLLOKOSA-N 1 2 286.379 1.786 10 30 CDEELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929359213 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1.009 10 30 CDEELO CCC[C@@H]1C[C@@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330178457 527817788 /nfs/dbraw/zinc/81/77/88/527817788.db2.gz DRSQBAZUECDDGD-WOPDTQHZSA-N 1 2 262.357 1.890 10 30 CDEELO CCC[C@@H]1C[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330178457 527817793 /nfs/dbraw/zinc/81/77/93/527817793.db2.gz DRSQBAZUECDDGD-WOPDTQHZSA-N 1 2 262.357 1.890 10 30 CDEELO C[C@H](O[NH+]=C(N)c1ccc(Cl)cc1)C(=O)NC1CC1 ZINC000727487250 574585932 /nfs/dbraw/zinc/58/59/32/574585932.db2.gz KTNXKCWGNRBZND-QMMMGPOBSA-N 1 2 281.743 1.644 10 30 CDEELO CC(C)OC[C@@H](O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000768302255 576269768 /nfs/dbraw/zinc/26/97/68/576269768.db2.gz RYCINOHYPGJZGM-GFCCVEGCSA-N 1 2 270.304 1.249 10 30 CDEELO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761093625 576547090 /nfs/dbraw/zinc/54/70/90/576547090.db2.gz OIEBGSJUZYYWAE-YUTCNCBUSA-N 1 2 256.305 1.867 10 30 CDEELO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2C[C@H]21 ZINC000761093625 576547092 /nfs/dbraw/zinc/54/70/92/576547092.db2.gz OIEBGSJUZYYWAE-YUTCNCBUSA-N 1 2 256.305 1.867 10 30 CDEELO C#CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000755228308 576936706 /nfs/dbraw/zinc/93/67/06/576936706.db2.gz WZGKOSWUGDIFTF-JSGCOSHPSA-N 1 2 280.730 1.974 10 30 CDEELO C#CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000755228308 576936707 /nfs/dbraw/zinc/93/67/07/576936707.db2.gz WZGKOSWUGDIFTF-JSGCOSHPSA-N 1 2 280.730 1.974 10 30 CDEELO COC(=O)c1ccc(N=NCc2[nH+]c[nH]c2C)c(OC)c1 ZINC000756902771 577014160 /nfs/dbraw/zinc/01/41/60/577014160.db2.gz XOHPTBPVIXDNIK-UHFFFAOYSA-N 1 2 288.307 1.959 10 30 CDEELO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C#CC(C)C)C2)sn1 ZINC001690090736 1175372987 /nfs/dbraw/zinc/37/29/87/1175372987.db2.gz VPTILTNWBCCOBU-CYBMUJFWSA-N 1 2 291.420 1.801 10 30 CDEELO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C#CC(C)C)C2)sn1 ZINC001690090736 1175372992 /nfs/dbraw/zinc/37/29/92/1175372992.db2.gz VPTILTNWBCCOBU-CYBMUJFWSA-N 1 2 291.420 1.801 10 30 CDEELO C#CC[NH+]1CCN(c2nnc(CC)n2C[C@H]2C[C@H]2C)CC1 ZINC001690125250 1175381915 /nfs/dbraw/zinc/38/19/15/1175381915.db2.gz DHVQEMGADVRULR-ZIAGYGMSSA-N 1 2 287.411 1.252 10 30 CDEELO C#CC[C@H]([NH2+]CC1CCC(OC)CC1)C(=O)OC ZINC000894854288 619100184 /nfs/dbraw/zinc/10/01/84/619100184.db2.gz GYCFAHQBOMFZBU-BPCQOVAHSA-N 1 2 253.342 1.346 10 30 CDEELO C=C(C)C[C@@H](NCc1c[nH+]cn1CC)C(=O)OCC ZINC000895591654 619749588 /nfs/dbraw/zinc/74/95/88/619749588.db2.gz CPZWGMCPHVDBQY-CYBMUJFWSA-N 1 2 265.357 1.891 10 30 CDEELO C=C(C)C[C@H]([NH2+]CCCc1cnn(C)c1)C(=O)OCC ZINC000895592407 619750315 /nfs/dbraw/zinc/75/03/15/619750315.db2.gz OEWCUFTZMWMCLZ-AWEZNQCLSA-N 1 2 279.384 1.840 10 30 CDEELO C#CC[N@@H+](Cc1cnn(CC(F)F)c1)C1CSC1 ZINC000895813757 619857753 /nfs/dbraw/zinc/85/77/53/619857753.db2.gz GOSBFHALLKXEFZ-UHFFFAOYSA-N 1 2 271.336 1.699 10 30 CDEELO C#CC[N@H+](Cc1cnn(CC(F)F)c1)C1CSC1 ZINC000895813757 619857754 /nfs/dbraw/zinc/85/77/54/619857754.db2.gz GOSBFHALLKXEFZ-UHFFFAOYSA-N 1 2 271.336 1.699 10 30 CDEELO C#CC1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000899112025 622055476 /nfs/dbraw/zinc/05/54/76/622055476.db2.gz PKBHQHCJMUMPDF-UHFFFAOYSA-N 1 2 295.342 1.473 10 30 CDEELO C#Cc1cccc(N(C)C(=O)/C=C(/C)C[NH+]2CCOCC2)c1 ZINC000900563281 623234820 /nfs/dbraw/zinc/23/48/20/623234820.db2.gz RLZGCCIEJLQWBV-QINSGFPZSA-N 1 2 298.386 1.909 10 30 CDEELO C=CC[N@@H+](CN1CC[C@@H](CCOC)C1=O)[C@H](C)COC ZINC000902313289 624663714 /nfs/dbraw/zinc/66/37/14/624663714.db2.gz POVBIGCTWLRQLG-KGLIPLIRSA-N 1 2 284.400 1.352 10 30 CDEELO C=CC[N@H+](CN1CC[C@@H](CCOC)C1=O)[C@H](C)COC ZINC000902313289 624663720 /nfs/dbraw/zinc/66/37/20/624663720.db2.gz POVBIGCTWLRQLG-KGLIPLIRSA-N 1 2 284.400 1.352 10 30 CDEELO C#Cc1ccc(S(=O)(=O)N2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000907066465 627516383 /nfs/dbraw/zinc/51/63/83/627516383.db2.gz WDWXRPQYLQELMI-CYBMUJFWSA-N 1 2 292.404 1.383 10 30 CDEELO C#Cc1ccc(S(=O)(=O)N2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000907066465 627516390 /nfs/dbraw/zinc/51/63/90/627516390.db2.gz WDWXRPQYLQELMI-CYBMUJFWSA-N 1 2 292.404 1.383 10 30 CDEELO C#C[C@@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)C(C)C ZINC000907965107 627935063 /nfs/dbraw/zinc/93/50/63/627935063.db2.gz ARBLQOKRFIWDRZ-JWAFFJSPSA-N 1 2 264.369 1.039 10 30 CDEELO C=CCN(CCC#N)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000908344075 628145725 /nfs/dbraw/zinc/14/57/25/628145725.db2.gz UYVBGIBQXKWDBR-OWBHPGMISA-N 1 2 277.368 1.193 10 30 CDEELO C#CCC1(NC(=O)NCCCCn2cc[nH+]c2)CCC1 ZINC000914307237 631324838 /nfs/dbraw/zinc/32/48/38/631324838.db2.gz KLLKGWNLZJJPOB-UHFFFAOYSA-N 1 2 274.368 1.909 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccnn1C ZINC001670645743 1158672599 /nfs/dbraw/zinc/67/25/99/1158672599.db2.gz GNKLAGNNEVNZEW-CYBMUJFWSA-N 1 2 290.411 1.713 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccnn1C ZINC001670645743 1158672603 /nfs/dbraw/zinc/67/26/03/1158672603.db2.gz GNKLAGNNEVNZEW-CYBMUJFWSA-N 1 2 290.411 1.713 10 30 CDEELO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)c1ccco1 ZINC001691059161 1158855369 /nfs/dbraw/zinc/85/53/69/1158855369.db2.gz SEGVIWAYEHWGHI-CHWSQXEVSA-N 1 2 260.337 1.549 10 30 CDEELO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)c1ccco1 ZINC001691059161 1158855379 /nfs/dbraw/zinc/85/53/79/1158855379.db2.gz SEGVIWAYEHWGHI-CHWSQXEVSA-N 1 2 260.337 1.549 10 30 CDEELO C=CCC[NH2+]CCN(C)C(=O)C(F)C(F)(F)F ZINC001691327786 1159018777 /nfs/dbraw/zinc/01/87/77/1159018777.db2.gz ZJDXTKLHHBGIRR-QMMMGPOBSA-N 1 2 256.243 1.511 10 30 CDEELO C=CCC[NH2+]CCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001691327786 1159018785 /nfs/dbraw/zinc/01/87/85/1159018785.db2.gz ZJDXTKLHHBGIRR-QMMMGPOBSA-N 1 2 256.243 1.511 10 30 CDEELO CN(CC[NH2+]Cc1cnon1)C(=O)CC#Cc1ccccc1 ZINC001691615031 1160718180 /nfs/dbraw/zinc/71/81/80/1160718180.db2.gz HUNYHXCBHQZEIF-UHFFFAOYSA-N 1 2 298.346 1.059 10 30 CDEELO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc(C#N)c1O ZINC000866268651 1164760426 /nfs/dbraw/zinc/76/04/26/1164760426.db2.gz BAEOYLYASQBMQY-JQWIXIFHSA-N 1 2 273.336 1.535 10 30 CDEELO N#Cc1cncc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001645032645 1167360674 /nfs/dbraw/zinc/36/06/74/1167360674.db2.gz YMZMKWRHHYPASL-VXGBXAGGSA-N 1 2 267.292 1.096 10 30 CDEELO N#Cc1cncc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001645032645 1167360680 /nfs/dbraw/zinc/36/06/80/1167360680.db2.gz YMZMKWRHHYPASL-VXGBXAGGSA-N 1 2 267.292 1.096 10 30 CDEELO C#CC[N@H+]1CCCN(C(=O)CSC(F)F)CC1 ZINC001565815858 1168170655 /nfs/dbraw/zinc/17/06/55/1168170655.db2.gz UWHHUSPWPSBZLB-UHFFFAOYSA-N 1 2 262.325 1.110 10 30 CDEELO C#CC[N@@H+]1CCCN(C(=O)CSC(F)F)CC1 ZINC001565815858 1168170659 /nfs/dbraw/zinc/17/06/59/1168170659.db2.gz UWHHUSPWPSBZLB-UHFFFAOYSA-N 1 2 262.325 1.110 10 30 CDEELO C=CCCCC(=O)NC[C@H]1CCC[N@H+]1Cc1nonc1C ZINC001663523709 1172716460 /nfs/dbraw/zinc/71/64/60/1172716460.db2.gz NXKYTUPXOSOWQX-CYBMUJFWSA-N 1 2 292.383 1.815 10 30 CDEELO C=CCC(C)(C)C(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001583801175 1172782223 /nfs/dbraw/zinc/78/22/23/1172782223.db2.gz JKHDLWHYZKWXTO-GFCCVEGCSA-N 1 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/nfs/dbraw/zinc/36/46/98/1173364698.db2.gz UWTXMWNUOVEITQ-ZJUUUORDSA-N 1 2 298.280 1.021 10 30 CDEELO C#CCCCC(=O)NC[C@H]1CCC2(C[NH+](CC(=C)C)C2)O1 ZINC001673531242 1173867820 /nfs/dbraw/zinc/86/78/20/1173867820.db2.gz BWVGWNIOTWQSIW-OAHLLOKOSA-N 1 2 290.407 1.716 10 30 CDEELO C=C[C@@](C)(CC)C(=O)NC[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001690619675 1175525282 /nfs/dbraw/zinc/52/52/82/1175525282.db2.gz ZNUZAXUWUXVSKL-HZMBPMFUSA-N 1 2 280.372 1.575 10 30 CDEELO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(C=C)CCOC ZINC001692371144 1175752555 /nfs/dbraw/zinc/75/25/55/1175752555.db2.gz TWXFXLFBAAQXTI-DZKIICNBSA-N 1 2 276.380 1.134 10 30 CDEELO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(C=C)CCOC ZINC001692371144 1175752556 /nfs/dbraw/zinc/75/25/56/1175752556.db2.gz TWXFXLFBAAQXTI-DZKIICNBSA-N 1 2 276.380 1.134 10 30 CDEELO C[C@](CNCC#N)(NC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC001698652972 1175888355 /nfs/dbraw/zinc/88/83/55/1175888355.db2.gz LSXHUHGKKNRSMH-OAHLLOKOSA-N 1 2 289.383 1.061 10 30 CDEELO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001698789295 1175933701 /nfs/dbraw/zinc/93/37/01/1175933701.db2.gz GOBVYHIREKGAGY-KBPBESRZSA-N 1 2 292.379 1.695 10 30 CDEELO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001698789295 1175933704 /nfs/dbraw/zinc/93/37/04/1175933704.db2.gz GOBVYHIREKGAGY-KBPBESRZSA-N 1 2 292.379 1.695 10 30 CDEELO CCc1nnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C#CC2CC2)o1 ZINC001699359204 1176310864 /nfs/dbraw/zinc/31/08/64/1176310864.db2.gz WNEIEUMFFNYHBH-GHMZBOCLSA-N 1 2 290.367 1.201 10 30 CDEELO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1C ZINC001699620527 1176516727 /nfs/dbraw/zinc/51/67/27/1176516727.db2.gz WVBIYEKEJYLSGE-OAHLLOKOSA-N 1 2 286.375 1.449 10 30 CDEELO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1C ZINC001699620527 1176516734 /nfs/dbraw/zinc/51/67/34/1176516734.db2.gz WVBIYEKEJYLSGE-OAHLLOKOSA-N 1 2 286.375 1.449 10 30 CDEELO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](c1cccnc1)C(C)C ZINC001699636792 1176534931 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CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](F)c1ccccc1 ZINC001276930085 941705900 /nfs/dbraw/zinc/70/59/00/941705900.db2.gz CVOQVNCBPOKGSR-HUUCEWRRSA-N 1 2 274.339 1.911 10 30 CDEELO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](F)c1ccccc1 ZINC001276930085 941705902 /nfs/dbraw/zinc/70/59/02/941705902.db2.gz CVOQVNCBPOKGSR-HUUCEWRRSA-N 1 2 274.339 1.911 10 30 CDEELO C=CCCCC(=O)NC[C@@H]1COCC[N@H+]1CC[C@@H](C)F ZINC001280414738 942437034 /nfs/dbraw/zinc/43/70/34/942437034.db2.gz DJFLUTSQQOZMAS-ZIAGYGMSSA-N 1 2 286.391 1.908 10 30 CDEELO C=CCCCC(=O)NC[C@@H]1COCC[N@@H+]1CC[C@@H](C)F ZINC001280414738 942437037 /nfs/dbraw/zinc/43/70/37/942437037.db2.gz DJFLUTSQQOZMAS-ZIAGYGMSSA-N 1 2 286.391 1.908 10 30 CDEELO C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1csnn1 ZINC001282168479 942672947 /nfs/dbraw/zinc/67/29/47/942672947.db2.gz RBYNXPBVRHBFPL-VHSXEESVSA-N 1 2 282.413 1.733 10 30 CDEELO C=CCCC(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001277823839 943710551 /nfs/dbraw/zinc/71/05/51/943710551.db2.gz PMFBGRQSPFLHEI-LBPRGKRZSA-N 1 2 278.356 1.425 10 30 CDEELO C=CCOCCNC(=O)NCc1cc[nH+]c(NC)c1 ZINC001263763770 943963893 /nfs/dbraw/zinc/96/38/93/943963893.db2.gz PIOXSYGKKCXMOB-UHFFFAOYSA-N 1 2 264.329 1.125 10 30 CDEELO CC(C)c1nnc(C[N@H+](C)CCCNC(=O)[C@@H](C)C#N)[nH]1 ZINC001264970997 944185316 /nfs/dbraw/zinc/18/53/16/944185316.db2.gz FJIWZZWRCNGIKF-NSHDSACASA-N 1 2 292.387 1.026 10 30 CDEELO CC(C)c1nnc(C[N@@H+](C)CCCNC(=O)[C@@H](C)C#N)[nH]1 ZINC001264970997 944185318 /nfs/dbraw/zinc/18/53/18/944185318.db2.gz FJIWZZWRCNGIKF-NSHDSACASA-N 1 2 292.387 1.026 10 30 CDEELO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](OC)[C@H](C)CC ZINC001418473422 973875665 /nfs/dbraw/zinc/87/56/65/973875665.db2.gz WGIVFKOELCQRRQ-ZYHUDNBSSA-N 1 2 276.808 1.848 10 30 CDEELO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CC2 ZINC001265413751 944376753 /nfs/dbraw/zinc/37/67/53/944376753.db2.gz ZAASAIGYQCBCMK-QLFBSQMISA-N 1 2 288.391 1.112 10 30 CDEELO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CC2 ZINC001265413751 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C=CC[NH+]1CCN(C(=O)c2cc(C3CC3)nn2CC)CC1 ZINC001258310078 948753870 /nfs/dbraw/zinc/75/38/70/948753870.db2.gz LGUMKYJHICFGAG-UHFFFAOYSA-N 1 2 288.395 1.724 10 30 CDEELO C#CCC[NH2+][C@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001480765231 971870452 /nfs/dbraw/zinc/87/04/52/971870452.db2.gz BWLWDGMMUGQRGH-RKDXNWHRSA-N 1 2 268.254 1.395 10 30 CDEELO C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001480765231 971870458 /nfs/dbraw/zinc/87/04/58/971870458.db2.gz BWLWDGMMUGQRGH-RKDXNWHRSA-N 1 2 268.254 1.395 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)C2C=CC=CC=C2)C1 ZINC001325216798 953779686 /nfs/dbraw/zinc/77/96/86/953779686.db2.gz IFIUASVQEWBZRC-UHFFFAOYSA-N 1 2 274.364 1.024 10 30 CDEELO C#C[C@H]([NH2+]Cc1n[nH]cc1Br)C1CCOCC1 ZINC001474637372 953782460 /nfs/dbraw/zinc/78/24/60/953782460.db2.gz YPKJBCVBOKKAHR-NSHDSACASA-N 1 2 298.184 1.690 10 30 CDEELO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1coc(C)n1 ZINC001493278871 972000574 /nfs/dbraw/zinc/00/05/74/972000574.db2.gz FOCOSBALGGSFHR-NSHDSACASA-N 1 2 278.356 1.471 10 30 CDEELO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1coc(C)n1 ZINC001493278871 972000577 /nfs/dbraw/zinc/00/05/77/972000577.db2.gz FOCOSBALGGSFHR-NSHDSACASA-N 1 2 278.356 1.471 10 30 CDEELO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](F)CC ZINC001326647983 954474017 /nfs/dbraw/zinc/47/40/17/954474017.db2.gz PDCILDUTCXWWNT-OLZOCXBDSA-N 1 2 272.364 1.518 10 30 CDEELO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](F)CC ZINC001326647983 954474023 /nfs/dbraw/zinc/47/40/23/954474023.db2.gz PDCILDUTCXWWNT-OLZOCXBDSA-N 1 2 272.364 1.518 10 30 CDEELO O=C(C#CC1CC1)NCC1([NH2+]Cc2nncs2)CCC1 ZINC001326817685 954570349 /nfs/dbraw/zinc/57/03/49/954570349.db2.gz WEZTVESRZKAAFE-UHFFFAOYSA-N 1 2 290.392 1.080 10 30 CDEELO Cn1c[nH+]cc1CCC(=O)N1CCC(C)(C#N)CC1 ZINC001326849789 954590195 /nfs/dbraw/zinc/59/01/95/954590195.db2.gz TWCIDQORSHRKQH-UHFFFAOYSA-N 1 2 260.341 1.505 10 30 CDEELO C[C@@H]1CCC[C@@H](C[N@@H+]2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 ZINC001364515565 954725723 /nfs/dbraw/zinc/72/57/23/954725723.db2.gz JEXDKCUCQLAZFI-APIJFGDWSA-N 1 2 296.436 1.683 10 30 CDEELO C[C@@H]1CCC[C@@H](C[N@H+]2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 ZINC001364515565 954725728 /nfs/dbraw/zinc/72/57/28/954725728.db2.gz JEXDKCUCQLAZFI-APIJFGDWSA-N 1 2 296.436 1.683 10 30 CDEELO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCOC(C)C)O2 ZINC001327344618 954836787 /nfs/dbraw/zinc/83/67/87/954836787.db2.gz QLBZFWFRKWKDKJ-AWEZNQCLSA-N 1 2 296.411 1.337 10 30 CDEELO C#Cc1cncc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC001301532283 955954130 /nfs/dbraw/zinc/95/41/30/955954130.db2.gz MOPHCYATFWGZKL-GFCCVEGCSA-N 1 2 252.277 1.134 10 30 CDEELO C=C[C@@](C)(CC)C(=O)NCCC[N@H+](C)Cc1cnn(C)n1 ZINC001316846605 956264824 /nfs/dbraw/zinc/26/48/24/956264824.db2.gz MFVZTKQOYLXWLQ-HNNXBMFYSA-N 1 2 293.415 1.356 10 30 CDEELO C=C[C@@](C)(CC)C(=O)NCCC[N@@H+](C)Cc1cnn(C)n1 ZINC001316846605 956264834 /nfs/dbraw/zinc/26/48/34/956264834.db2.gz MFVZTKQOYLXWLQ-HNNXBMFYSA-N 1 2 293.415 1.356 10 30 CDEELO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cccn(C)c1=O ZINC001422934765 956461003 /nfs/dbraw/zinc/46/10/03/956461003.db2.gz YKONNFABVYBWQM-NSHDSACASA-N 1 2 297.786 1.188 10 30 CDEELO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cccn(C)c1=O ZINC001422934765 956461009 /nfs/dbraw/zinc/46/10/09/956461009.db2.gz YKONNFABVYBWQM-NSHDSACASA-N 1 2 297.786 1.188 10 30 CDEELO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001365968713 956474430 /nfs/dbraw/zinc/47/44/30/956474430.db2.gz DTBBVVOQRPFJJC-CMPLNLGQSA-N 1 2 293.317 1.815 10 30 CDEELO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001365968713 956474436 /nfs/dbraw/zinc/47/44/36/956474436.db2.gz DTBBVVOQRPFJJC-CMPLNLGQSA-N 1 2 293.317 1.815 10 30 CDEELO CC1(C)CO[C@H](C[NH+]2CC(NC(=O)C#CC3CC3)C2)C1 ZINC001494383937 972222166 /nfs/dbraw/zinc/22/21/66/972222166.db2.gz GKUYSJYYKKNXFC-AWEZNQCLSA-N 1 2 276.380 1.015 10 30 CDEELO C=C(Cl)C[N@H+](C)CCNC(=O)c1cncc2[nH]ccc21 ZINC001366548636 956948486 /nfs/dbraw/zinc/94/84/86/956948486.db2.gz HLHRLGLHMFPGGP-UHFFFAOYSA-N 1 2 292.770 1.977 10 30 CDEELO 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C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866249649 736668364 /nfs/dbraw/zinc/66/83/64/736668364.db2.gz MGACWCKLBRREAZ-QWRGUYRKSA-N 1 2 271.324 1.595 10 30 CDEELO CC(C)[C@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794630239 736988324 /nfs/dbraw/zinc/98/83/24/736988324.db2.gz DGUYXWWAOZGWFP-NSHDSACASA-N 1 2 279.413 1.953 10 30 CDEELO CC(C)[C@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794630239 736988328 /nfs/dbraw/zinc/98/83/28/736988328.db2.gz DGUYXWWAOZGWFP-NSHDSACASA-N 1 2 279.413 1.953 10 30 CDEELO N#CCCc1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000928400675 737107921 /nfs/dbraw/zinc/10/79/21/737107921.db2.gz DNQLECNWQMILJJ-DUXPYHPUSA-N 1 2 299.374 1.970 10 30 CDEELO C=C(Br)CN1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000105913396 737127177 /nfs/dbraw/zinc/12/71/77/737127177.db2.gz AJCFGNNNZLKHHE-NSHDSACASA-N 1 2 277.206 1.548 10 30 CDEELO C=C(Br)CN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000105913396 737127179 /nfs/dbraw/zinc/12/71/79/737127179.db2.gz AJCFGNNNZLKHHE-NSHDSACASA-N 1 2 277.206 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C#C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC000846062459 741849152 /nfs/dbraw/zinc/84/91/52/741849152.db2.gz AIWBELPJYDXEQX-CYBMUJFWSA-N 1 2 259.353 1.536 10 30 CDEELO C#C[C@@H](C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000923218697 741896705 /nfs/dbraw/zinc/89/67/05/741896705.db2.gz XPNPXZIGXGGXQE-SECBINFHSA-N 1 2 266.370 1.026 10 30 CDEELO C=CCN(CCc1ccccc1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865035902 742043730 /nfs/dbraw/zinc/04/37/30/742043730.db2.gz MVPJGRMGXAMKAI-HNNXBMFYSA-N 1 2 285.347 1.700 10 30 CDEELO C=CC[C@@H](C(=O)OC)[NH+]1CCN(c2ccccc2)CC1 ZINC000877912086 742312544 /nfs/dbraw/zinc/31/25/44/742312544.db2.gz XSHMNHMVGOPRFD-HNNXBMFYSA-N 1 2 274.364 1.926 10 30 CDEELO C#CC[N@@H+](CC(=O)OC(C)(C)C)CC1CCOCC1 ZINC000852427901 742435947 /nfs/dbraw/zinc/43/59/47/742435947.db2.gz CVEBEFBCXLSGFN-UHFFFAOYSA-N 1 2 267.369 1.690 10 30 CDEELO C#CC[N@H+](CC(=O)OC(C)(C)C)CC1CCOCC1 ZINC000852427901 742435950 /nfs/dbraw/zinc/43/59/50/742435950.db2.gz CVEBEFBCXLSGFN-UHFFFAOYSA-N 1 2 267.369 1.690 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/nfs/dbraw/zinc/47/24/00/740472400.db2.gz YMKJTSNFKWHMIA-OAHLLOKOSA-N 1 2 258.365 1.895 10 30 CDEELO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCc1[nH]cc[nH+]1 ZINC000846329294 740713363 /nfs/dbraw/zinc/71/33/63/740713363.db2.gz NBBLFWXMJKCYLG-AWEZNQCLSA-N 1 2 298.346 1.406 10 30 CDEELO C#C[C@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000823540551 740716345 /nfs/dbraw/zinc/71/63/45/740716345.db2.gz AXMGHRYLGKYPFT-LBPRGKRZSA-N 1 2 297.314 1.052 10 30 CDEELO COc1ccc(C(N)=[NH+]OCCO[C@@H]2CC2(F)F)cc1 ZINC000853654740 740804005 /nfs/dbraw/zinc/80/40/05/740804005.db2.gz XEUICQNEFBMBNO-LLVKDONJSA-N 1 2 286.278 1.756 10 30 CDEELO C#CCN(C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)C1CC1 ZINC000876205987 741227388 /nfs/dbraw/zinc/22/73/88/741227388.db2.gz YYQJOBZFHDQQCY-MRXNPFEDSA-N 1 2 283.375 1.980 10 30 CDEELO C#CCN(C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)C1CC1 ZINC000876205987 741227396 /nfs/dbraw/zinc/22/73/96/741227396.db2.gz YYQJOBZFHDQQCY-MRXNPFEDSA-N 1 2 283.375 1.980 10 30 CDEELO C#C[C@H]1CCCC[N@H+]1Cc1cc(C(=O)OCC)no1 ZINC000934515780 741309667 /nfs/dbraw/zinc/30/96/67/741309667.db2.gz RTEVKLGMYXGFGV-NSHDSACASA-N 1 2 262.309 1.839 10 30 CDEELO C#C[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)OCC)no1 ZINC000934515780 741309670 /nfs/dbraw/zinc/30/96/70/741309670.db2.gz RTEVKLGMYXGFGV-NSHDSACASA-N 1 2 262.309 1.839 10 30 CDEELO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC1(F)F ZINC000807854860 741314109 /nfs/dbraw/zinc/31/41/09/741314109.db2.gz IMEHTLKMEQFMKO-WDEREUQCSA-N 1 2 256.296 1.388 10 30 CDEELO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC1(F)F ZINC000807854860 741314105 /nfs/dbraw/zinc/31/41/05/741314105.db2.gz IMEHTLKMEQFMKO-WDEREUQCSA-N 1 2 256.296 1.388 10 30 CDEELO C#Cc1cncc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000804337239 741616494 /nfs/dbraw/zinc/61/64/94/741616494.db2.gz VZEATYPPGHSWCO-CYBMUJFWSA-N 1 2 266.304 1.004 10 30 CDEELO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000929473828 741649776 /nfs/dbraw/zinc/64/97/76/741649776.db2.gz FNCJMUVPQTZMLG-GXTWGEPZSA-N 1 2 287.363 1.999 10 30 CDEELO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000929473828 741649779 /nfs/dbraw/zinc/64/97/79/741649779.db2.gz FNCJMUVPQTZMLG-GXTWGEPZSA-N 1 2 287.363 1.999 10 30 CDEELO Cc1ccc2nc(C=NNCCCn3cc[nH+]c3)cn2c1 ZINC000848417077 741722195 /nfs/dbraw/zinc/72/21/95/741722195.db2.gz KEBFGGACKRTVSA-UHFFFAOYSA-N 1 2 282.351 1.853 10 30 CDEELO C#CCCCOc1ccc[nH+]c1NC[C@](C)(O)CO ZINC000853564392 741862469 /nfs/dbraw/zinc/86/24/69/741862469.db2.gz PUATUVXWKFXBMX-AWEZNQCLSA-N 1 2 264.325 1.029 10 30 CDEELO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(C)cs2)CC1 ZINC000921436781 742013830 /nfs/dbraw/zinc/01/38/30/742013830.db2.gz CGOIXQKBVDVSLP-UHFFFAOYSA-N 1 2 298.433 1.432 10 30 CDEELO CC(C)c1ncc2c(n1)CC[N@@H+](CCO[C@@H](C)C#N)C2 ZINC000857880602 742265584 /nfs/dbraw/zinc/26/55/84/742265584.db2.gz KRWZQGSZSZDCTH-LBPRGKRZSA-N 1 2 274.368 1.887 10 30 CDEELO CC(C)c1ncc2c(n1)CC[N@H+](CCO[C@@H](C)C#N)C2 ZINC000857880602 742265599 /nfs/dbraw/zinc/26/55/99/742265599.db2.gz 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Cc1cc(N2CCN(c3cnccn3)CC2)c(C#N)c(C)[nH+]1 ZINC000160479634 369820218 /nfs/dbraw/zinc/82/02/18/369820218.db2.gz FRXCDZTVWRQMGG-UHFFFAOYSA-N 1 2 294.362 1.687 10 30 CDEELO C[C@H]1CCn2ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2C1 ZINC000565050458 370339974 /nfs/dbraw/zinc/33/99/74/370339974.db2.gz CNYLGTUJUBMXDQ-XHDPSFHLSA-N 1 2 289.383 1.039 10 30 CDEELO C=CCSCCNC(=O)NCc1[nH+]ccn1CC ZINC000296509868 371793631 /nfs/dbraw/zinc/79/36/31/371793631.db2.gz ZFFOCUCOEVEGIY-UHFFFAOYSA-N 1 2 268.386 1.621 10 30 CDEELO Cn1cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1C#N ZINC000191440688 373490095 /nfs/dbraw/zinc/49/00/95/373490095.db2.gz SGIKLDCKFDRPFO-LSDHHAIUSA-N 1 2 275.352 1.277 10 30 CDEELO Cn1cc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1C#N ZINC000191440688 373490108 /nfs/dbraw/zinc/49/01/08/373490108.db2.gz SGIKLDCKFDRPFO-LSDHHAIUSA-N 1 2 275.352 1.277 10 30 CDEELO COC[C@H]1CN(c2cc(C)[nH+]c(C)c2C#N)C[C@@H](C)O1 ZINC000302587659 373959584 /nfs/dbraw/zinc/95/95/84/373959584.db2.gz VSKCZLJJPXCCJJ-DGCLKSJQSA-N 1 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/nfs/dbraw/zinc/85/02/31/377850231.db2.gz PLPPXSCVGKEIKJ-ZDUSSCGKSA-N 1 2 288.347 1.956 10 30 CDEELO C=C1CC(C)(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000633642898 378633249 /nfs/dbraw/zinc/63/32/49/378633249.db2.gz VTKHQZBYVLFOBM-UHFFFAOYSA-N 1 2 292.423 1.914 10 30 CDEELO CC(C)(C#N)CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344098970 379165644 /nfs/dbraw/zinc/16/56/44/379165644.db2.gz MTPZKDOVOVLOQM-JTQLQIEISA-N 1 2 263.345 1.630 10 30 CDEELO CC(C)(C#N)CC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344098970 379165651 /nfs/dbraw/zinc/16/56/51/379165651.db2.gz MTPZKDOVOVLOQM-JTQLQIEISA-N 1 2 263.345 1.630 10 30 CDEELO N#C[C@H]1C[N@H+](C[C@@H]2CCSC2)CCN1C1CC1 ZINC000373351194 483145327 /nfs/dbraw/zinc/14/53/27/483145327.db2.gz APDGXBQKRYKBRV-AAEUAGOBSA-N 1 2 251.399 1.412 10 30 CDEELO N#C[C@H]1C[N@@H+](C[C@@H]2CCSC2)CCN1C1CC1 ZINC000373351194 483145330 /nfs/dbraw/zinc/14/53/30/483145330.db2.gz APDGXBQKRYKBRV-AAEUAGOBSA-N 1 2 251.399 1.412 10 30 CDEELO CC[C@@H](NC(=O)c1ccc(C#N)n1C)c1[nH]cc[nH+]1 ZINC000450673017 251398074 /nfs/dbraw/zinc/39/80/74/251398074.db2.gz NBWBDSVOHINRRD-SNVBAGLBSA-N 1 2 257.297 1.501 10 30 CDEELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000550670977 390480052 /nfs/dbraw/zinc/48/00/52/390480052.db2.gz AZZKUIGADGJVSK-CFVMTHIKSA-N 1 2 285.347 1.727 10 30 CDEELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C#N)cn1 ZINC000550670977 390480054 /nfs/dbraw/zinc/48/00/54/390480054.db2.gz AZZKUIGADGJVSK-CFVMTHIKSA-N 1 2 285.347 1.727 10 30 CDEELO C=C(C)CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000427040527 390909953 /nfs/dbraw/zinc/90/99/53/390909953.db2.gz JOGFQSAKSOTHIS-UHFFFAOYSA-N 1 2 272.308 1.274 10 30 CDEELO COc1cccc(C(N)=[NH+]OCC(=O)NC(C)(C)C)c1 ZINC000174213334 391118835 /nfs/dbraw/zinc/11/88/35/391118835.db2.gz YIEDCYRPJAJBIB-UHFFFAOYSA-N 1 2 279.340 1.247 10 30 CDEELO N#CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000334447108 391137497 /nfs/dbraw/zinc/13/74/97/391137497.db2.gz HSFIFFLSUSZJRK-NSHDSACASA-N 1 2 258.325 1.398 10 30 CDEELO N#CCCOCC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000339166098 391264127 /nfs/dbraw/zinc/26/41/27/391264127.db2.gz RQPKMXGPUNVUOP-UHFFFAOYSA-N 1 2 264.300 1.950 10 30 CDEELO N#CCCOCC[N@H+]1CCOc2cccc(F)c2C1 ZINC000339166098 391264130 /nfs/dbraw/zinc/26/41/30/391264130.db2.gz RQPKMXGPUNVUOP-UHFFFAOYSA-N 1 2 264.300 1.950 10 30 CDEELO C[C@]1(F)CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000451110657 391611235 /nfs/dbraw/zinc/61/12/35/391611235.db2.gz CVOFZLZXKHDVPF-AWEZNQCLSA-N 1 2 280.347 1.466 10 30 CDEELO C[C@]1(F)CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000451110657 391611236 /nfs/dbraw/zinc/61/12/36/391611236.db2.gz CVOFZLZXKHDVPF-AWEZNQCLSA-N 1 2 280.347 1.466 10 30 CDEELO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CC(F)C1 ZINC000329754957 391772020 /nfs/dbraw/zinc/77/20/20/391772020.db2.gz LDMLCKALQZUBTH-SECBINFHSA-N 1 2 252.293 1.328 10 30 CDEELO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1(CO)CC1 ZINC000459489533 392444650 /nfs/dbraw/zinc/44/46/50/392444650.db2.gz TZYKZUDGLGFMMB-UHFFFAOYSA-N 1 2 261.281 1.423 10 30 CDEELO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1(CO)CC1 ZINC000459489533 392444660 /nfs/dbraw/zinc/44/46/60/392444660.db2.gz TZYKZUDGLGFMMB-UHFFFAOYSA-N 1 2 261.281 1.423 10 30 CDEELO C#CCCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C)o1 ZINC001663487732 1172706976 /nfs/dbraw/zinc/70/69/76/1172706976.db2.gz RQCZTFPQYSFHBV-CQSZACIVSA-N 1 2 289.379 1.867 10 30 CDEELO C#CCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C)o1 ZINC001663487732 1172706983 /nfs/dbraw/zinc/70/69/83/1172706983.db2.gz RQCZTFPQYSFHBV-CQSZACIVSA-N 1 2 289.379 1.867 10 30 CDEELO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412069294 392817652 /nfs/dbraw/zinc/81/76/52/392817652.db2.gz FMPLYVKKVRGHHM-TYNCELHUSA-N 1 2 260.337 1.701 10 30 CDEELO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412069294 392817661 /nfs/dbraw/zinc/81/76/61/392817661.db2.gz FMPLYVKKVRGHHM-TYNCELHUSA-N 1 2 260.337 1.701 10 30 CDEELO CC1(C#N)CN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000459598229 393256734 /nfs/dbraw/zinc/25/67/34/393256734.db2.gz VVCYAOTWBXIESJ-UHFFFAOYSA-N 1 2 251.293 1.551 10 30 CDEELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)c2ccnc(C#N)c2)C1 ZINC000286523305 397823521 /nfs/dbraw/zinc/82/35/21/397823521.db2.gz BVJQYDOAXAKCOW-MRXNPFEDSA-N 1 2 286.379 1.500 10 30 CDEELO C[N@H+]1CCO[C@@H](CN(CC2CC2)c2ccnc(C#N)c2)C1 ZINC000286523305 397823527 /nfs/dbraw/zinc/82/35/27/397823527.db2.gz BVJQYDOAXAKCOW-MRXNPFEDSA-N 1 2 286.379 1.500 10 30 CDEELO C[C@H]([NH2+]Cc1nc(C#N)cs1)C(=O)N1CCCC[C@@H]1C ZINC000352835468 155472120 /nfs/dbraw/zinc/47/21/20/155472120.db2.gz PJBFWYJLYLFCLM-QWRGUYRKSA-N 1 2 292.408 1.894 10 30 CDEELO C=CCN1CC[NH+](CCN(C)C(=O)[C@H](C)C2CC2)CC1 ZINC001664766568 1172906824 /nfs/dbraw/zinc/90/68/24/1172906824.db2.gz KTVSQIOWOVGKQC-CQSZACIVSA-N 1 2 279.428 1.295 10 30 CDEELO CN(C)C(=O)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356065811 157340691 /nfs/dbraw/zinc/34/06/91/157340691.db2.gz PSYQITDBTJAFJL-UHFFFAOYSA-N 1 2 278.381 1.315 10 30 CDEELO C=CCn1cc(C[NH2+]Cc2cccn2C(F)F)nn1 ZINC001665046005 1172934174 /nfs/dbraw/zinc/93/41/74/1172934174.db2.gz OPEGRZCQFWNIFK-UHFFFAOYSA-N 1 2 267.283 1.951 10 30 CDEELO C[C@H]1CCOCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000362474095 159156592 /nfs/dbraw/zinc/15/65/92/159156592.db2.gz QOZORVYWVQDCSO-LBPRGKRZSA-N 1 2 273.336 1.608 10 30 CDEELO C[C@H]1CCOCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000362474095 159156595 /nfs/dbraw/zinc/15/65/95/159156595.db2.gz QOZORVYWVQDCSO-LBPRGKRZSA-N 1 2 273.336 1.608 10 30 CDEELO CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC(CC#N)C2)c1 ZINC000656707271 413579917 /nfs/dbraw/zinc/57/99/17/413579917.db2.gz WNEBQCMJNNFELA-OAHLLOKOSA-N 1 2 288.347 1.474 10 30 CDEELO C[C@]([NH3+])(C#N)CCOc1ccc2c(c1)CCC(=O)N2 ZINC000045209842 175328756 /nfs/dbraw/zinc/32/87/56/175328756.db2.gz BQWIDOUHNXUPQW-CQSZACIVSA-N 1 2 259.309 1.581 10 30 CDEELO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000366989216 226120327 /nfs/dbraw/zinc/12/03/27/226120327.db2.gz ODJUACRBJDGTOL-CHWSQXEVSA-N 1 2 284.367 1.512 10 30 CDEELO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000366989216 226120330 /nfs/dbraw/zinc/12/03/30/226120330.db2.gz ODJUACRBJDGTOL-CHWSQXEVSA-N 1 2 284.367 1.512 10 30 CDEELO C[C@@H]1CSC[C@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000334143212 260141047 /nfs/dbraw/zinc/14/10/47/260141047.db2.gz QGBAUUXEVFOKKL-VXGBXAGGSA-N 1 2 296.440 1.367 10 30 CDEELO C#CCCCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000363697174 260605619 /nfs/dbraw/zinc/60/56/19/260605619.db2.gz GWJLEONXHRFDII-UHFFFAOYSA-N 1 2 264.369 1.161 10 30 CDEELO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@](C)(C=C)CCOC)C1 ZINC001666713652 1173178712 /nfs/dbraw/zinc/17/87/12/1173178712.db2.gz PDYWGROKTVNZKL-GOEBONIOSA-N 1 2 296.411 1.218 10 30 CDEELO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@](C)(C=C)CCOC)C1 ZINC001666713652 1173178717 /nfs/dbraw/zinc/17/87/17/1173178717.db2.gz PDYWGROKTVNZKL-GOEBONIOSA-N 1 2 296.411 1.218 10 30 CDEELO CCCC[C@@H](ON=C(C)C)C(=O)NCc1[nH]cc[nH+]1 ZINC000272582162 263007103 /nfs/dbraw/zinc/00/71/03/263007103.db2.gz 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Cc1cc(C[NH2+]C2(CNC(=O)c3ccc(C#N)[nH]3)CC2)no1 ZINC001483727401 913131883 /nfs/dbraw/zinc/13/18/83/913131883.db2.gz PMQIBZRRNSAIHM-UHFFFAOYSA-N 1 2 299.334 1.235 10 30 CDEELO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001567409241 1168740606 /nfs/dbraw/zinc/74/06/06/1168740606.db2.gz DFPKHYOXGPBOMK-GFCCVEGCSA-N 1 2 292.383 1.610 10 30 CDEELO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001567409241 1168740613 /nfs/dbraw/zinc/74/06/13/1168740613.db2.gz DFPKHYOXGPBOMK-GFCCVEGCSA-N 1 2 292.383 1.610 10 30 CDEELO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CO[C@@H](C)C1 ZINC001266290681 894177394 /nfs/dbraw/zinc/17/73/94/894177394.db2.gz INJQZOYTZAPTNC-WDEREUQCSA-N 1 2 260.765 1.212 10 30 CDEELO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CO[C@@H](C)C1 ZINC001266290681 894177403 /nfs/dbraw/zinc/17/74/03/894177403.db2.gz INJQZOYTZAPTNC-WDEREUQCSA-N 1 2 260.765 1.212 10 30 CDEELO C[C@@H](C#N)C(=O)N(C)CC[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001567476155 1168792499 /nfs/dbraw/zinc/79/24/99/1168792499.db2.gz VJUIBTCHWLMNTI-JTQLQIEISA-N 1 2 293.371 1.075 10 30 CDEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC(C)C)C1 ZINC001266333607 894422081 /nfs/dbraw/zinc/42/20/81/894422081.db2.gz QMVXGNZHRUNSSB-ZDUSSCGKSA-N 1 2 295.427 1.161 10 30 CDEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC(C)C)C1 ZINC001266333607 894422088 /nfs/dbraw/zinc/42/20/88/894422088.db2.gz QMVXGNZHRUNSSB-ZDUSSCGKSA-N 1 2 295.427 1.161 10 30 CDEELO Cc1noc(C[NH2+][C@@H](CNC(=O)C#CC(C)C)C2CC2)n1 ZINC001266406718 894739282 /nfs/dbraw/zinc/73/92/82/894739282.db2.gz IYRGGFWWLMWNEX-ZDUSSCGKSA-N 1 2 290.367 1.022 10 30 CDEELO CC#CCCCC(=O)NC[C@@H](C)[NH2+]Cc1cnsn1 ZINC001266963317 896453905 /nfs/dbraw/zinc/45/39/05/896453905.db2.gz CXVWHRGIGIKTPU-LLVKDONJSA-N 1 2 280.397 1.326 10 30 CDEELO C=CC(C)(C)CC(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001267011484 896547046 /nfs/dbraw/zinc/54/70/46/896547046.db2.gz RFTBZRLDNXXTTI-NSHDSACASA-N 1 2 294.424 1.831 10 30 CDEELO Cc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)C#CC(C)C)no1 ZINC001267266199 897407869 /nfs/dbraw/zinc/40/78/69/897407869.db2.gz HNTJWDHDFXODOH-OAHLLOKOSA-N 1 2 289.379 1.723 10 30 CDEELO Cc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)C#CC(C)C)no1 ZINC001267266199 897407879 /nfs/dbraw/zinc/40/78/79/897407879.db2.gz HNTJWDHDFXODOH-OAHLLOKOSA-N 1 2 289.379 1.723 10 30 CDEELO CC#CCN1CC[NH+](CCN(C)C(=O)c2ccccc2)CC1 ZINC001267573874 898469386 /nfs/dbraw/zinc/46/93/86/898469386.db2.gz NTKFYEMHMFXMHD-UHFFFAOYSA-N 1 2 299.418 1.400 10 30 CDEELO C#CCCCC(=O)N(C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001481224104 899498920 /nfs/dbraw/zinc/49/89/20/899498920.db2.gz GAHQYVJGQKVYKQ-UHFFFAOYSA-N 1 2 289.379 1.904 10 30 CDEELO CC(C)C#CC(=O)NC1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001481557092 901206387 /nfs/dbraw/zinc/20/63/87/901206387.db2.gz DPBFKEUKNFVACK-UHFFFAOYSA-N 1 2 299.418 1.712 10 30 CDEELO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCC1 ZINC001481671159 901768222 /nfs/dbraw/zinc/76/82/22/901768222.db2.gz VEIDYBFQNSTLGY-HOTGVXAUSA-N 1 2 288.391 1.422 10 30 CDEELO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCC1 ZINC001481671159 901768233 /nfs/dbraw/zinc/76/82/33/901768233.db2.gz VEIDYBFQNSTLGY-HOTGVXAUSA-N 1 2 288.391 1.422 10 30 CDEELO C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001268600495 902804470 /nfs/dbraw/zinc/80/44/70/902804470.db2.gz MMHLJFBQPOGJEG-BYCRGOAPSA-N 1 2 296.802 1.603 10 30 CDEELO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H](C)COC)C1 ZINC001269866010 904169709 /nfs/dbraw/zinc/16/97/09/904169709.db2.gz BCPXIFOQEOHGHT-GFCCVEGCSA-N 1 2 254.374 1.378 10 30 CDEELO C#CC[NH+]1CCC(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001270117845 904373628 /nfs/dbraw/zinc/37/36/28/904373628.db2.gz AHUVRNVPDQUXDW-NSHDSACASA-N 1 2 294.292 1.738 10 30 CDEELO C#CC[NH+]1CCC(CCNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001270117845 904373638 /nfs/dbraw/zinc/37/36/38/904373638.db2.gz AHUVRNVPDQUXDW-NSHDSACASA-N 1 2 294.292 1.738 10 30 CDEELO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CCOC(C)C)C1 ZINC001270620955 904804126 /nfs/dbraw/zinc/80/41/26/904804126.db2.gz UBPWQGGNIKRBTR-CQSZACIVSA-N 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CC[N@H+](Cc1cn(C)nn1)Cc1cccc(C#N)c1 ZINC000341622709 358701971 /nfs/dbraw/zinc/70/19/71/358701971.db2.gz VPBQZGANDDGNLS-UHFFFAOYSA-N 1 2 255.325 1.709 10 30 CDEELO CC[N@@H+](Cc1cn(C)nn1)Cc1cccc(C#N)c1 ZINC000341622709 358701973 /nfs/dbraw/zinc/70/19/73/358701973.db2.gz VPBQZGANDDGNLS-UHFFFAOYSA-N 1 2 255.325 1.709 10 30 CDEELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000150860306 359329581 /nfs/dbraw/zinc/32/95/81/359329581.db2.gz NXCOUIDSRAXFBX-GFCCVEGCSA-N 1 2 292.314 1.149 10 30 CDEELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000150860306 359329585 /nfs/dbraw/zinc/32/95/85/359329585.db2.gz NXCOUIDSRAXFBX-GFCCVEGCSA-N 1 2 292.314 1.149 10 30 CDEELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(C)(C)C#N)C2 ZINC000112669681 360528959 /nfs/dbraw/zinc/52/89/59/360528959.db2.gz OEDKXANRGIAYAT-UHFFFAOYSA-N 1 2 274.368 1.978 10 30 CDEELO Cc1oc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](O)C2)c(C#N)c1C ZINC000221449245 361380537 /nfs/dbraw/zinc/38/05/37/361380537.db2.gz SONHSWIWHXQQPZ-ZANVPECISA-N 1 2 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291.395 1.007 10 30 CDEELO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(F)C(F)(F)F ZINC001571359803 1170385645 /nfs/dbraw/zinc/38/56/45/1170385645.db2.gz GOTVDRSHPDGOKD-QWRGUYRKSA-N 1 2 294.292 1.737 10 30 CDEELO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](F)C(F)(F)F ZINC001571359803 1170385653 /nfs/dbraw/zinc/38/56/53/1170385653.db2.gz GOTVDRSHPDGOKD-QWRGUYRKSA-N 1 2 294.292 1.737 10 30 CDEELO C=C[C@@](C)(CC)C(=O)NC[C@H](CO)[NH2+]Cc1cc(C)on1 ZINC001571439442 1170428537 /nfs/dbraw/zinc/42/85/37/1170428537.db2.gz GYEAHUZCZQYALM-HIFRSBDPSA-N 1 2 295.383 1.152 10 30 CDEELO C=C(C)CCC(=O)N(C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001571844737 1170549478 /nfs/dbraw/zinc/54/94/78/1170549478.db2.gz SZLTUFPZGMUNSN-CYBMUJFWSA-N 1 2 292.383 1.203 10 30 CDEELO Cc1nc(N2CCc3c(CC#N)cccc3C2)nc(N)[nH+]1 ZINC000601204621 342496354 /nfs/dbraw/zinc/49/63/54/342496354.db2.gz PYSMXWNEHWDSFM-UHFFFAOYSA-N 1 2 280.335 1.221 10 30 CDEELO Cc1nc(N)nc(N2CCc3c(CC#N)cccc3C2)[nH+]1 ZINC000601204621 342496355 /nfs/dbraw/zinc/49/63/55/342496355.db2.gz PYSMXWNEHWDSFM-UHFFFAOYSA-N 1 2 280.335 1.221 10 30 CDEELO C[C@@H]1[C@@H](O)CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000590759104 342588585 /nfs/dbraw/zinc/58/85/85/342588585.db2.gz SMBADEAWOMIABA-RNCFNFMXSA-N 1 2 293.754 1.605 10 30 CDEELO C[C@@H]1[C@@H](O)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000590759104 342588586 /nfs/dbraw/zinc/58/85/86/342588586.db2.gz SMBADEAWOMIABA-RNCFNFMXSA-N 1 2 293.754 1.605 10 30 CDEELO C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641602552 365635301 /nfs/dbraw/zinc/63/53/01/365635301.db2.gz QMGPKHSMVXFBDA-ZIAGYGMSSA-N 1 2 297.424 1.937 10 30 CDEELO C[C@@H]1C[N@H+](Cc2ccncc2C#N)C[C@@]2(CCOC2)O1 ZINC000592120943 342666561 /nfs/dbraw/zinc/66/65/61/342666561.db2.gz LYCKZPJAHLPCSY-IUODEOHRSA-N 1 2 273.336 1.333 10 30 CDEELO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)C[C@@]2(CCOC2)O1 ZINC000592120943 342666562 /nfs/dbraw/zinc/66/65/62/342666562.db2.gz LYCKZPJAHLPCSY-IUODEOHRSA-N 1 2 273.336 1.333 10 30 CDEELO 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/nfs/dbraw/zinc/91/40/52/1180914052.db2.gz SXEUIGGETXGVRD-KBPBESRZSA-N 1 2 289.383 1.061 10 30 CDEELO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccnn1C ZINC001723433583 1181560318 /nfs/dbraw/zinc/56/03/18/1181560318.db2.gz SAUYASYXRNGDCY-ZDUSSCGKSA-N 1 2 276.384 1.467 10 30 CDEELO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccnn1C ZINC001723433583 1181560322 /nfs/dbraw/zinc/56/03/22/1181560322.db2.gz SAUYASYXRNGDCY-ZDUSSCGKSA-N 1 2 276.384 1.467 10 30 CDEELO N#CCSCC(=O)NCC1([NH2+]Cc2cscn2)CC1 ZINC001723489979 1181576261 /nfs/dbraw/zinc/57/62/61/1181576261.db2.gz DIFGLUOQYPFSFK-UHFFFAOYSA-N 1 2 296.421 1.138 10 30 CDEELO C=CC[NH+]1CC(N(C)C(=O)CCC(F)(F)F)C1 ZINC001723745529 1181600060 /nfs/dbraw/zinc/60/00/60/1181600060.db2.gz SLKQXPJXCURPPG-UHFFFAOYSA-N 1 2 250.264 1.658 10 30 CDEELO C=C(C)C[NH+]1CC(N(C)C(=O)CC2(COC)CC2)C1 ZINC001723760930 1181601123 /nfs/dbraw/zinc/60/11/23/1181601123.db2.gz VXFCUBAPMNYHFZ-UHFFFAOYSA-N 1 2 266.385 1.522 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001724495384 1181685614 /nfs/dbraw/zinc/68/56/14/1181685614.db2.gz OWBFOLUWMQWHKO-UHFFFAOYSA-N 1 2 294.439 1.798 10 30 CDEELO C#CC[NH2+]C1(C)CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001724954844 1181807704 /nfs/dbraw/zinc/80/77/04/1181807704.db2.gz DUHGRYKMZMPZLY-SECBINFHSA-N 1 2 280.265 1.491 10 30 CDEELO C#CC[NH2+]C1(C)CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001724954844 1181807713 /nfs/dbraw/zinc/80/77/13/1181807713.db2.gz DUHGRYKMZMPZLY-SECBINFHSA-N 1 2 280.265 1.491 10 30 CDEELO C=C1CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc2nccs2)C1 ZINC001725541103 1182042596 /nfs/dbraw/zinc/04/25/96/1182042596.db2.gz JCMKXQVEJJGDNC-NSHDSACASA-N 1 2 295.408 1.066 10 30 CDEELO C=CC[N@H+](CCC)CCNC(=O)c1[nH]ncc1F ZINC001731869065 1182638667 /nfs/dbraw/zinc/63/86/67/1182638667.db2.gz MLEDUZTWOJJWKM-UHFFFAOYSA-N 1 2 254.309 1.177 10 30 CDEELO C=CC[N@@H+](CCC)CCNC(=O)c1[nH]ncc1F ZINC001731869065 1182638672 /nfs/dbraw/zinc/63/86/72/1182638672.db2.gz MLEDUZTWOJJWKM-UHFFFAOYSA-N 1 2 254.309 1.177 10 30 CDEELO C=CCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001732065784 1182746318 /nfs/dbraw/zinc/74/63/18/1182746318.db2.gz BEPHQHBUJBIKQV-CYBMUJFWSA-N 1 2 291.399 1.062 10 30 CDEELO C=CCCC(=O)N1CC[C@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001732065784 1182746324 /nfs/dbraw/zinc/74/63/24/1182746324.db2.gz BEPHQHBUJBIKQV-CYBMUJFWSA-N 1 2 291.399 1.062 10 30 CDEELO C[C@@H](C#N)C(=O)NC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001732095580 1182763881 /nfs/dbraw/zinc/76/38/81/1182763881.db2.gz QJQXCPYCZJQNND-XHDPSFHLSA-N 1 2 269.348 1.634 10 30 CDEELO C#CCCCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001732161835 1182820919 /nfs/dbraw/zinc/82/09/19/1182820919.db2.gz PLVMQEBMFZBKCT-HNNXBMFYSA-N 1 2 288.395 1.256 10 30 CDEELO C#CCCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001732161835 1182820925 /nfs/dbraw/zinc/82/09/25/1182820925.db2.gz PLVMQEBMFZBKCT-HNNXBMFYSA-N 1 2 288.395 1.256 10 30 CDEELO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C(F)C(F)(F)F ZINC001732421299 1182956900 /nfs/dbraw/zinc/95/69/00/1182956900.db2.gz PHGUCPBGTPWBBA-RKDXNWHRSA-N 1 2 268.254 1.347 10 30 CDEELO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001732421299 1182956906 /nfs/dbraw/zinc/95/69/06/1182956906.db2.gz PHGUCPBGTPWBBA-RKDXNWHRSA-N 1 2 268.254 1.347 10 30 CDEELO C=C[C@@](C)(O)CC(=O)N[C@@H](C)C[N@H+](C)Cc1nocc1C ZINC001733039217 1183256319 /nfs/dbraw/zinc/25/63/19/1183256319.db2.gz RLPSSBKWZPWHIH-SWLSCSKDSA-N 1 2 295.383 1.247 10 30 CDEELO C=C[C@@](C)(O)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1nocc1C ZINC001733039217 1183256325 /nfs/dbraw/zinc/25/63/25/1183256325.db2.gz RLPSSBKWZPWHIH-SWLSCSKDSA-N 1 2 295.383 1.247 10 30 CDEELO C#CCN(C(=O)CC)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001733365359 1183411002 /nfs/dbraw/zinc/41/10/02/1183411002.db2.gz SCKGBNPBZBVSBN-UHFFFAOYSA-N 1 2 288.395 1.256 10 30 CDEELO C#CCC[NH+]1CC(O)(CNC(=O)C2=CCCCCC2)C1 ZINC001733499781 1183450355 /nfs/dbraw/zinc/45/03/55/1183450355.db2.gz WDHLCBHJTYBDCS-UHFFFAOYSA-N 1 2 276.380 1.063 10 30 CDEELO C=CCCC(=O)NCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001736692284 1184012985 /nfs/dbraw/zinc/01/29/85/1184012985.db2.gz OXWFGQDZBZKSNB-UHFFFAOYSA-N 1 2 286.335 1.375 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001737578102 1184161131 /nfs/dbraw/zinc/16/11/31/1184161131.db2.gz TZEXYGBVRVHGGT-JTQLQIEISA-N 1 2 292.383 1.094 10 30 CDEELO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CO[C@H](C)CC ZINC001367797735 958369876 /nfs/dbraw/zinc/36/98/76/958369876.db2.gz UNLLNNCGGWMQOZ-NWDGAFQWSA-N 1 2 276.808 1.991 10 30 CDEELO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CO[C@H](C)CC ZINC001367797735 958369891 /nfs/dbraw/zinc/36/98/91/958369891.db2.gz UNLLNNCGGWMQOZ-NWDGAFQWSA-N 1 2 276.808 1.991 10 30 CDEELO C[C@H]([NH2+]CCCS(C)(=O)=O)c1cccc(C#N)c1O ZINC000866256915 1164758531 /nfs/dbraw/zinc/75/85/31/1164758531.db2.gz BTLIUEGUDSJZIE-JTQLQIEISA-N 1 2 282.365 1.349 10 30 CDEELO CC(C)N1C[C@H]([NH2+][C@H](C)c2cccc(C#N)c2O)CC1=O ZINC000866299112 1164765192 /nfs/dbraw/zinc/76/51/92/1164765192.db2.gz INQOQPOBJPIJIU-DGCLKSJQSA-N 1 2 287.363 1.924 10 30 CDEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001629654944 1166154316 /nfs/dbraw/zinc/15/43/16/1166154316.db2.gz HKFYZAXZAVQGMM-RDBSUJKOSA-N 1 2 277.368 1.617 10 30 CDEELO C#Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cn1 ZINC001630565317 1166214965 /nfs/dbraw/zinc/21/49/65/1166214965.db2.gz BGNFUVRFOHEWJZ-GFCCVEGCSA-N 1 2 252.277 1.134 10 30 CDEELO C=C(C)[C@H](CO)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000879449733 1166353072 /nfs/dbraw/zinc/35/30/72/1166353072.db2.gz SBKDXYWZSKFWJA-KRWDZBQOSA-N 1 2 290.407 1.750 10 30 CDEELO N#Cc1ccnc(C[N@@H+]2CCOC[C@@H]2CC2CC2)c1 ZINC001644624280 1167331277 /nfs/dbraw/zinc/33/12/77/1167331277.db2.gz GOXDAVGFCKVXDQ-HNNXBMFYSA-N 1 2 257.337 1.954 10 30 CDEELO N#Cc1ccnc(C[N@H+]2CCOC[C@@H]2CC2CC2)c1 ZINC001644624280 1167331280 /nfs/dbraw/zinc/33/12/80/1167331280.db2.gz GOXDAVGFCKVXDQ-HNNXBMFYSA-N 1 2 257.337 1.954 10 30 CDEELO C[C@H](CN(CCC#N)CC1CC1)C[NH+]1CCOCC1 ZINC001644732980 1167344375 /nfs/dbraw/zinc/34/43/75/1167344375.db2.gz LJSIMISCVVUDBC-AWEZNQCLSA-N 1 2 265.401 1.580 10 30 CDEELO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1nccs1 ZINC001394126044 978080198 /nfs/dbraw/zinc/08/01/98/978080198.db2.gz KAYIOELFPFWBGB-VIFPVBQESA-N 1 2 273.789 1.946 10 30 CDEELO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1nccs1 ZINC001394126044 978080204 /nfs/dbraw/zinc/08/02/04/978080204.db2.gz KAYIOELFPFWBGB-VIFPVBQESA-N 1 2 273.789 1.946 10 30 CDEELO C=CC[NH+]1CCN(C(=O)c2ccnn2C2CCC2)CC1 ZINC001565502388 1168151637 /nfs/dbraw/zinc/15/16/37/1168151637.db2.gz PYBWXPBDGNTYPV-UHFFFAOYSA-N 1 2 274.368 1.552 10 30 CDEELO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001567407795 1168739198 /nfs/dbraw/zinc/73/91/98/1168739198.db2.gz OXOOLTKXRRQIFH-OLZOCXBDSA-N 1 2 292.383 1.610 10 30 CDEELO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001567407795 1168739209 /nfs/dbraw/zinc/73/92/09/1168739209.db2.gz OXOOLTKXRRQIFH-OLZOCXBDSA-N 1 2 292.383 1.610 10 30 CDEELO CC(C)c1nsc(C[NH2+]CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001567475382 1168792275 /nfs/dbraw/zinc/79/22/75/1168792275.db2.gz HKKZJIDVTRRMPP-JTQLQIEISA-N 1 2 295.412 1.369 10 30 CDEELO C=CCOCC(=O)N(C)CC[NH2+]Cc1nc(C)c(C)o1 ZINC001266656970 895706195 /nfs/dbraw/zinc/70/61/95/895706195.db2.gz JYJSABWAXLLSET-UHFFFAOYSA-N 1 2 281.356 1.042 10 30 CDEELO C#CC[N@H+]1CC[C@H](N(CCC)C(=O)c2cc(CC)[nH]n2)C1 ZINC001267450848 897918290 /nfs/dbraw/zinc/91/82/90/897918290.db2.gz SIUSFTUGDQCYCJ-AWEZNQCLSA-N 1 2 288.395 1.532 10 30 CDEELO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(CC)[nH]n2)C1 ZINC001267450848 897918301 /nfs/dbraw/zinc/91/83/01/897918301.db2.gz SIUSFTUGDQCYCJ-AWEZNQCLSA-N 1 2 288.395 1.532 10 30 CDEELO C#CCCCC(=O)NC[C@@H](CC)[NH2+][C@H](C)c1noc(C)n1 ZINC001267799355 899759133 /nfs/dbraw/zinc/75/91/33/899759133.db2.gz LAMRVHDCCMJHCW-DGCLKSJQSA-N 1 2 292.383 1.727 10 30 CDEELO C=C[C@](C)(CC)C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001481580761 901339916 /nfs/dbraw/zinc/33/99/16/901339916.db2.gz BRKROWVONBZMJF-OAHLLOKOSA-N 1 2 276.384 1.286 10 30 CDEELO CC#CCCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001282167536 901573213 /nfs/dbraw/zinc/57/32/13/901573213.db2.gz MCMCCCZNMZEKHO-RYUDHWBXSA-N 1 2 292.383 1.554 10 30 CDEELO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)OCC ZINC001481666931 901760230 /nfs/dbraw/zinc/76/02/30/901760230.db2.gz YVFCSSFCWPZVLJ-IHRRRGAJSA-N 1 2 264.369 1.110 10 30 CDEELO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)OCC ZINC001481666931 901760239 /nfs/dbraw/zinc/76/02/39/901760239.db2.gz YVFCSSFCWPZVLJ-IHRRRGAJSA-N 1 2 264.369 1.110 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001268331411 901864266 /nfs/dbraw/zinc/86/42/66/901864266.db2.gz BHYOWDHFCCPYHL-LBPRGKRZSA-N 1 2 268.401 1.672 10 30 CDEELO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[NH2+]Cc1csnn1 ZINC001498092327 902363581 /nfs/dbraw/zinc/36/35/81/902363581.db2.gz DWPOFWFYWLKGKU-QWRGUYRKSA-N 1 2 282.413 1.735 10 30 CDEELO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)/C(C)=C/C)C1 ZINC001482185103 902876107 /nfs/dbraw/zinc/87/61/07/902876107.db2.gz QCSCFNQJYQSMFW-YQJFHSMKSA-N 1 2 252.358 1.346 10 30 CDEELO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)/C(C)=C/C)C1 ZINC001482185103 902876121 /nfs/dbraw/zinc/87/61/21/902876121.db2.gz QCSCFNQJYQSMFW-YQJFHSMKSA-N 1 2 252.358 1.346 10 30 CDEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)/C(C)=C\C)C1 ZINC001482185099 902877173 /nfs/dbraw/zinc/87/71/73/902877173.db2.gz QCSCFNQJYQSMFW-XLVZXTRVSA-N 1 2 252.358 1.346 10 30 CDEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)/C(C)=C\C)C1 ZINC001482185099 902877186 /nfs/dbraw/zinc/87/71/86/902877186.db2.gz QCSCFNQJYQSMFW-XLVZXTRVSA-N 1 2 252.358 1.346 10 30 CDEELO C=CC(C)(C)CC(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001567794767 1168978980 /nfs/dbraw/zinc/97/89/80/1168978980.db2.gz IJPDIQKGOFFHAH-JSGCOSHPSA-N 1 2 280.412 1.957 10 30 CDEELO CC(C)=CC[N@@H+]1CCO[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001482193117 903061745 /nfs/dbraw/zinc/06/17/45/903061745.db2.gz SOUDAKCITPAHER-HNNXBMFYSA-N 1 2 292.423 1.819 10 30 CDEELO CC(C)=CC[N@H+]1CCO[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001482193117 903061760 /nfs/dbraw/zinc/06/17/60/903061760.db2.gz SOUDAKCITPAHER-HNNXBMFYSA-N 1 2 292.423 1.819 10 30 CDEELO C=C(Cl)C[NH+]1CC(CNC(=O)CCOCC2CC2)C1 ZINC001268828825 903165038 /nfs/dbraw/zinc/16/50/38/903165038.db2.gz NHXVCDSCCFMOGV-UHFFFAOYSA-N 1 2 286.803 1.604 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H](OC)C2)C1 ZINC001567804956 1168984413 /nfs/dbraw/zinc/98/44/13/1168984413.db2.gz HTSPYPUVOKYMMI-DZGCQCFKSA-N 1 2 296.411 1.195 10 30 CDEELO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)C)C1 ZINC001482206415 903449907 /nfs/dbraw/zinc/44/99/07/903449907.db2.gz WZTYIDURQFHUOK-GFCCVEGCSA-N 1 2 254.374 1.426 10 30 CDEELO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C(C)(C)C)C1 ZINC001482206415 903449913 /nfs/dbraw/zinc/44/99/13/903449913.db2.gz WZTYIDURQFHUOK-GFCCVEGCSA-N 1 2 254.374 1.426 10 30 CDEELO CC#CC[N@H+]1CC[C@H]1CNC(=O)C1(COC)CCC1 ZINC001269267043 903629290 /nfs/dbraw/zinc/62/92/90/903629290.db2.gz PHOQRTDKKQQHOZ-ZDUSSCGKSA-N 1 2 264.369 1.017 10 30 CDEELO CC#CC[N@@H+]1CC[C@H]1CNC(=O)C1(COC)CCC1 ZINC001269267043 903629298 /nfs/dbraw/zinc/62/92/98/903629298.db2.gz PHOQRTDKKQQHOZ-ZDUSSCGKSA-N 1 2 264.369 1.017 10 30 CDEELO C=C(C)CCC(=O)NC[C@H](CC)[NH2+]Cc1csnn1 ZINC001269412127 903789795 /nfs/dbraw/zinc/78/97/95/903789795.db2.gz CPLFUDURHVXOSW-NSHDSACASA-N 1 2 282.413 1.879 10 30 CDEELO C=C(C)C[NH+]1CC(N(C)C(=O)CCc2cc(OC)no2)C1 ZINC001269801237 904120318 /nfs/dbraw/zinc/12/03/18/904120318.db2.gz VUXJHXVIQWGUNJ-UHFFFAOYSA-N 1 2 293.367 1.335 10 30 CDEELO C=CCCC(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(N(C)C)no1 ZINC001482259099 904277359 /nfs/dbraw/zinc/27/73/59/904277359.db2.gz JEGAFVZACBXNMX-NSHDSACASA-N 1 2 295.387 1.038 10 30 CDEELO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CC1 ZINC001567854134 1169021905 /nfs/dbraw/zinc/02/19/05/1169021905.db2.gz WJUUAEBQWSTDCL-GJZGRUSLSA-N 1 2 276.380 1.112 10 30 CDEELO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CC1 ZINC001567854134 1169021916 /nfs/dbraw/zinc/02/19/16/1169021916.db2.gz WJUUAEBQWSTDCL-GJZGRUSLSA-N 1 2 276.380 1.112 10 30 CDEELO C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001271092112 905638405 /nfs/dbraw/zinc/63/84/05/905638405.db2.gz IIKLDEQKDUIIRY-ABAIWWIYSA-N 1 2 294.399 1.917 10 30 CDEELO Cc1nnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C#CC(C)(C)C)o1 ZINC001483128015 909681167 /nfs/dbraw/zinc/68/11/67/909681167.db2.gz PJKWUHBOCBCFPF-MNOVXSKESA-N 1 2 292.383 1.583 10 30 CDEELO C=CCCO[C@@H](C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922389036 921573436 /nfs/dbraw/zinc/57/34/36/921573436.db2.gz DYKLCEKQKNGKLJ-JTQLQIEISA-N 1 2 250.298 1.688 10 30 CDEELO C#C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CCCO1 ZINC000775330118 921693796 /nfs/dbraw/zinc/69/37/96/921693796.db2.gz OTHRYUPGNVXWCH-UKRRQHHQSA-N 1 2 296.330 1.178 10 30 CDEELO C=C(C)C[NH+]1CC(N(C)C(=O)CCCCOC)C1 ZINC001483857768 915122715 /nfs/dbraw/zinc/12/27/15/915122715.db2.gz WTWRMWUXLVZJMC-UHFFFAOYSA-N 1 2 254.374 1.522 10 30 CDEELO C=C(C)C[NH+]1CC(N(C)C(=O)CC[C@H]2CCCO2)C1 ZINC001483851825 915139851 /nfs/dbraw/zinc/13/98/51/915139851.db2.gz 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HAKNVRLAMANLSW-NSHDSACASA-N 1 2 278.356 1.030 10 30 CDEELO C=C(C)CONC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000845600312 931850911 /nfs/dbraw/zinc/85/09/11/931850911.db2.gz HTEWDZKKAOORAO-UHFFFAOYSA-N 1 2 264.329 1.806 10 30 CDEELO C=C(C)CONC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000845600312 931850917 /nfs/dbraw/zinc/85/09/17/931850917.db2.gz HTEWDZKKAOORAO-UHFFFAOYSA-N 1 2 264.329 1.806 10 30 CDEELO C[N@@H+](Cc1cocn1)C[C@H](O)c1cccc(C#N)c1 ZINC000846006595 931953180 /nfs/dbraw/zinc/95/31/80/931953180.db2.gz JPTQNYJQQMHPEV-AWEZNQCLSA-N 1 2 257.293 1.712 10 30 CDEELO C[N@H+](Cc1cocn1)C[C@H](O)c1cccc(C#N)c1 ZINC000846006595 931953184 /nfs/dbraw/zinc/95/31/84/931953184.db2.gz JPTQNYJQQMHPEV-AWEZNQCLSA-N 1 2 257.293 1.712 10 30 CDEELO C#CCOCCC(=O)NC[C@@H](C)[N@H+](C)CC(=C)Cl ZINC001275827734 932070239 /nfs/dbraw/zinc/07/02/39/932070239.db2.gz LHZINRUPFJJDSH-GFCCVEGCSA-N 1 2 272.776 1.215 10 30 CDEELO C#CCOCCC(=O)NC[C@@H](C)[N@@H+](C)CC(=C)Cl ZINC001275827734 932070241 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N#CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000185868816 329333813 /nfs/dbraw/zinc/33/38/13/329333813.db2.gz BRKPEDBGYNXUHQ-LLVKDONJSA-N 1 2 293.317 1.959 10 30 CDEELO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C1 ZINC001731440144 1159297377 /nfs/dbraw/zinc/29/73/77/1159297377.db2.gz IJZKQQHYUTYBMV-FXQIFTODSA-N 1 2 281.253 1.283 10 30 CDEELO C=C[C@](C)(CC)C(=O)NC[C@H]1COCC[N@H+]1CC ZINC001700122397 1176757226 /nfs/dbraw/zinc/75/72/26/1176757226.db2.gz ZMVKWSYLPFPSFN-GXTWGEPZSA-N 1 2 254.374 1.426 10 30 CDEELO C=C[C@](C)(CC)C(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001700122397 1176757228 /nfs/dbraw/zinc/75/72/28/1176757228.db2.gz ZMVKWSYLPFPSFN-GXTWGEPZSA-N 1 2 254.374 1.426 10 30 CDEELO CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001700352587 1176866337 /nfs/dbraw/zinc/86/63/37/1176866337.db2.gz BMBJYXLJRCBDAS-GHMZBOCLSA-N 1 2 294.292 1.833 10 30 CDEELO C=CCOCCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000679471810 483368544 /nfs/dbraw/zinc/36/85/44/483368544.db2.gz 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C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)C(C)(C)C1 ZINC000941100354 613379304 /nfs/dbraw/zinc/37/93/04/613379304.db2.gz WIADRNLQLQCYNP-JTQLQIEISA-N 1 2 297.790 1.388 10 30 CDEELO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nnc[nH]2)C(C)(C)C1 ZINC000941100354 613379305 /nfs/dbraw/zinc/37/93/05/613379305.db2.gz WIADRNLQLQCYNP-JTQLQIEISA-N 1 2 297.790 1.388 10 30 CDEELO C#CC1(O)CC[NH+]([C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000931147555 617606303 /nfs/dbraw/zinc/60/63/03/617606303.db2.gz FCMWGYXQYDMKLQ-CQSZACIVSA-N 1 2 273.332 1.361 10 30 CDEELO C#C[C@@H]1CCCC[N@H+]1CC(=O)NCc1cccs1 ZINC000934509300 617612983 /nfs/dbraw/zinc/61/29/83/617612983.db2.gz AWRHDDFBVCHJMO-GFCCVEGCSA-N 1 2 262.378 1.852 10 30 CDEELO C#C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1cccs1 ZINC000934509300 617612985 /nfs/dbraw/zinc/61/29/85/617612985.db2.gz AWRHDDFBVCHJMO-GFCCVEGCSA-N 1 2 262.378 1.852 10 30 CDEELO COc1c(C)cnc(C[NH2+][C@H]2CCCN(O)C2=O)c1C ZINC000895157217 619371959 /nfs/dbraw/zinc/37/19/59/619371959.db2.gz NGIWYDJDLQSNPX-NSHDSACASA-N 1 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C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cccc(C#N)c1O ZINC000866347025 792814149 /nfs/dbraw/zinc/81/41/49/792814149.db2.gz OTILKZGKLAEMNP-ZJUUUORDSA-N 1 2 298.350 1.997 10 30 CDEELO N#Cc1csc(C[NH2+]Cc2ccc(-n3ccnc3)nc2)n1 ZINC000810128147 792873438 /nfs/dbraw/zinc/87/34/38/792873438.db2.gz CVHBIKXGPITWSS-UHFFFAOYSA-N 1 2 296.359 1.885 10 30 CDEELO C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cccc(C#N)c1O ZINC000866400264 792926298 /nfs/dbraw/zinc/92/62/98/792926298.db2.gz WRYGUAUCZCCSEP-FBIMIBRVSA-N 1 2 259.309 1.178 10 30 CDEELO C#C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000934512949 793348523 /nfs/dbraw/zinc/34/85/23/793348523.db2.gz CATFAYWOKKEKSY-GFCCVEGCSA-N 1 2 298.346 1.695 10 30 CDEELO C#C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000934512949 793348534 /nfs/dbraw/zinc/34/85/34/793348534.db2.gz CATFAYWOKKEKSY-GFCCVEGCSA-N 1 2 298.346 1.695 10 30 CDEELO C=C(C)CONC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000846538275 794145030 /nfs/dbraw/zinc/14/50/30/794145030.db2.gz 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252.280 1.103 10 30 CDEELO COCCOC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866301607 796388541 /nfs/dbraw/zinc/38/85/41/796388541.db2.gz PJNZTSULSAFFCN-RYUDHWBXSA-N 1 2 278.352 1.966 10 30 CDEELO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C#N)CCCCC1 ZINC000855957400 796421818 /nfs/dbraw/zinc/42/18/18/796421818.db2.gz QMOWBRUVRQEDCK-AWEZNQCLSA-N 1 2 273.380 1.674 10 30 CDEELO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C#N)CCCCC1 ZINC000855957400 796421823 /nfs/dbraw/zinc/42/18/23/796421823.db2.gz QMOWBRUVRQEDCK-AWEZNQCLSA-N 1 2 273.380 1.674 10 30 CDEELO CC[N@H+](CCCNC(=O)C#CC1CC1)Cc1nncs1 ZINC001566550687 1168331832 /nfs/dbraw/zinc/33/18/32/1168331832.db2.gz QQBCJYOAKNPEPT-UHFFFAOYSA-N 1 2 292.408 1.280 10 30 CDEELO CC[N@@H+](CCCNC(=O)C#CC1CC1)Cc1nncs1 ZINC001566550687 1168331839 /nfs/dbraw/zinc/33/18/39/1168331839.db2.gz QQBCJYOAKNPEPT-UHFFFAOYSA-N 1 2 292.408 1.280 10 30 CDEELO CCC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001483675570 912588424 /nfs/dbraw/zinc/58/84/24/912588424.db2.gz FSFCNQAPKJABCD-CYBMUJFWSA-N 1 2 266.385 1.263 10 30 CDEELO CCC(C)(C)C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001483675570 912588433 /nfs/dbraw/zinc/58/84/33/912588433.db2.gz FSFCNQAPKJABCD-CYBMUJFWSA-N 1 2 266.385 1.263 10 30 CDEELO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](CCC)C(C)C ZINC001483692947 912845940 /nfs/dbraw/zinc/84/59/40/912845940.db2.gz BPDZAFKLLUZGAV-UONOGXRCSA-N 1 2 250.386 1.882 10 30 CDEELO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CCC)C(C)C ZINC001483692947 912845957 /nfs/dbraw/zinc/84/59/57/912845957.db2.gz BPDZAFKLLUZGAV-UONOGXRCSA-N 1 2 250.386 1.882 10 30 CDEELO C=C[C@](C)(O)CC(=O)NCC1([NH2+]Cc2cc(C)on2)CC1 ZINC001483730670 913154037 /nfs/dbraw/zinc/15/40/37/913154037.db2.gz TZTSRMOHHVZVJA-AWEZNQCLSA-N 1 2 293.367 1.049 10 30 CDEELO O=C(C#CC1CC1)NCC1([NH2+]Cc2cscn2)CC1 ZINC001483732484 913177542 /nfs/dbraw/zinc/17/75/42/913177542.db2.gz IORQQVBAAWNMOB-UHFFFAOYSA-N 1 2 275.377 1.295 10 30 CDEELO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CC2(C)C)C1 ZINC001483861671 915132587 /nfs/dbraw/zinc/13/25/87/915132587.db2.gz YGSUFOQPDSLCOD-CYBMUJFWSA-N 1 2 266.385 1.378 10 30 CDEELO CCCCCCCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001174942015 913406906 /nfs/dbraw/zinc/40/69/06/913406906.db2.gz YVFAECCVQVLUSI-ZDUSSCGKSA-N 1 2 267.373 1.790 10 30 CDEELO CCCCCCCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001174942015 913406914 /nfs/dbraw/zinc/40/69/14/913406914.db2.gz YVFAECCVQVLUSI-ZDUSSCGKSA-N 1 2 267.373 1.790 10 30 CDEELO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001567407796 1168739606 /nfs/dbraw/zinc/73/96/06/1168739606.db2.gz OXOOLTKXRRQIFH-QWHCGFSZSA-N 1 2 292.383 1.610 10 30 CDEELO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001567407796 1168739612 /nfs/dbraw/zinc/73/96/12/1168739612.db2.gz OXOOLTKXRRQIFH-QWHCGFSZSA-N 1 2 292.383 1.610 10 30 CDEELO C=CCC[N@H+]1CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001266320856 894374234 /nfs/dbraw/zinc/37/42/34/894374234.db2.gz HOYDUCFIHYXIOV-IUCAKERBSA-N 1 2 268.254 1.653 10 30 CDEELO C=CCC[N@@H+]1CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001266320856 894374247 /nfs/dbraw/zinc/37/42/47/894374247.db2.gz HOYDUCFIHYXIOV-IUCAKERBSA-N 1 2 268.254 1.653 10 30 CDEELO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001266320856 894374259 /nfs/dbraw/zinc/37/42/59/894374259.db2.gz HOYDUCFIHYXIOV-IUCAKERBSA-N 1 2 268.254 1.653 10 30 CDEELO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001266320856 894374274 /nfs/dbraw/zinc/37/42/74/894374274.db2.gz HOYDUCFIHYXIOV-IUCAKERBSA-N 1 2 268.254 1.653 10 30 CDEELO C=C(Cl)C[N@@H+](C)CCNC(=O)c1nc(CC)oc1C ZINC001480922498 897024250 /nfs/dbraw/zinc/02/42/50/897024250.db2.gz BFHRINFCOZMYKL-UHFFFAOYSA-N 1 2 285.775 1.960 10 30 CDEELO C=C(Cl)C[N@H+](C)CCNC(=O)c1nc(CC)oc1C ZINC001480922498 897024263 /nfs/dbraw/zinc/02/42/63/897024263.db2.gz BFHRINFCOZMYKL-UHFFFAOYSA-N 1 2 285.775 1.960 10 30 CDEELO C=CC(C)(C)C(=O)N(C)CC[NH2+]Cc1nnc(C2CC2)o1 ZINC001267414385 897872525 /nfs/dbraw/zinc/87/25/25/897872525.db2.gz FPQYWNGBQMDOTH-UHFFFAOYSA-N 1 2 292.383 1.707 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001267648044 899156792 /nfs/dbraw/zinc/15/67/92/899156792.db2.gz YXZJIKZVHNIDGO-AWEZNQCLSA-N 1 2 292.423 1.960 10 30 CDEELO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@](C)(C=C)CC)C1 ZINC001267748631 899563510 /nfs/dbraw/zinc/56/35/10/899563510.db2.gz BTZWJPOWZGMKEB-CJNGLKHVSA-N 1 2 293.411 1.081 10 30 CDEELO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@](C)(C=C)CC)C1 ZINC001267748631 899563519 /nfs/dbraw/zinc/56/35/19/899563519.db2.gz BTZWJPOWZGMKEB-CJNGLKHVSA-N 1 2 293.411 1.081 10 30 CDEELO C#CCC[NH2+][C@@H](CC)CNC(=O)C(F)C(F)(F)F ZINC001267805249 899773565 /nfs/dbraw/zinc/77/35/65/899773565.db2.gz OLEVEOGVTLYUKG-IUCAKERBSA-N 1 2 268.254 1.395 10 30 CDEELO C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H](F)C(F)(F)F ZINC001267805249 899773578 /nfs/dbraw/zinc/77/35/78/899773578.db2.gz OLEVEOGVTLYUKG-IUCAKERBSA-N 1 2 268.254 1.395 10 30 CDEELO C#CC[NH2+][C@H](C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001481332762 900434801 /nfs/dbraw/zinc/43/48/01/900434801.db2.gz DRFJZTVOGOXRBH-KOLCDFICSA-N 1 2 294.292 1.737 10 30 CDEELO C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001481332762 900434808 /nfs/dbraw/zinc/43/48/08/900434808.db2.gz DRFJZTVOGOXRBH-KOLCDFICSA-N 1 2 294.292 1.737 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)CCOc2cccc(C)c2)C1 ZINC001481601269 901426960 /nfs/dbraw/zinc/42/69/60/901426960.db2.gz OUWGMLOYDBZFFI-UHFFFAOYSA-N 1 2 286.375 1.588 10 30 CDEELO CC#CCCCC(=O)NC[C@@H](CC)[NH2+]Cc1nc(C)no1 ZINC001481842733 902199679 /nfs/dbraw/zinc/19/96/79/902199679.db2.gz JGUIGSCBIMRXRO-CYBMUJFWSA-N 1 2 292.383 1.556 10 30 CDEELO C#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccon2)[C@H]1C ZINC001284122308 902390086 /nfs/dbraw/zinc/39/00/86/902390086.db2.gz NKEUBOSELXLIEG-ZFWWWQNUSA-N 1 2 289.379 1.947 10 30 CDEELO C#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccon2)[C@H]1C ZINC001284122308 902390098 /nfs/dbraw/zinc/39/00/98/902390098.db2.gz NKEUBOSELXLIEG-ZFWWWQNUSA-N 1 2 289.379 1.947 10 30 CDEELO CCc1noc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@H](C)C#N)n1 ZINC001268520802 902499053 /nfs/dbraw/zinc/49/90/53/902499053.db2.gz ZQAXJVBCFAQMTP-PVTPVBHGSA-N 1 2 291.355 1.115 10 30 CDEELO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(C(C)C)C1=O ZINC001269204438 903545732 /nfs/dbraw/zinc/54/57/32/903545732.db2.gz DBKRYZNYZAWXOD-KBPBESRZSA-N 1 2 293.411 1.152 10 30 CDEELO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(C(C)C)C1=O ZINC001269204438 903545739 /nfs/dbraw/zinc/54/57/39/903545739.db2.gz DBKRYZNYZAWXOD-KBPBESRZSA-N 1 2 293.411 1.152 10 30 CDEELO C=CCCC(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001269206500 903552939 /nfs/dbraw/zinc/55/29/39/903552939.db2.gz YAUVZDYWAMJZBW-CQSZACIVSA-N 1 2 259.353 1.738 10 30 CDEELO C=CCCC(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001269206500 903552946 /nfs/dbraw/zinc/55/29/46/903552946.db2.gz YAUVZDYWAMJZBW-CQSZACIVSA-N 1 2 259.353 1.738 10 30 CDEELO C=CCOCC(=O)NC[C@H]1CC[N@H+]1Cc1cc(C)ns1 ZINC001269210755 903558612 /nfs/dbraw/zinc/55/86/12/903558612.db2.gz NLUWRYRUKARHRY-GFCCVEGCSA-N 1 2 295.408 1.345 10 30 CDEELO C=CCOCC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C)ns1 ZINC001269210755 903558625 /nfs/dbraw/zinc/55/86/25/903558625.db2.gz NLUWRYRUKARHRY-GFCCVEGCSA-N 1 2 295.408 1.345 10 30 CDEELO C=C[C@@H](CC)CC(=O)NCC1([NH2+]Cc2cnn(C)n2)CC1 ZINC001269475309 903842894 /nfs/dbraw/zinc/84/28/94/903842894.db2.gz KUTRVUUFCXKYJX-LBPRGKRZSA-N 1 2 291.399 1.156 10 30 CDEELO C=CCCC(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001270016757 904273401 /nfs/dbraw/zinc/27/34/01/904273401.db2.gz YFRMLBBGQQQWAR-LBPRGKRZSA-N 1 2 278.356 1.425 10 30 CDEELO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001567873011 1169035006 /nfs/dbraw/zinc/03/50/06/1169035006.db2.gz NAPVYGDZOMRBGR-AAEUAGOBSA-N 1 2 272.776 1.257 10 30 CDEELO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001567873011 1169035017 /nfs/dbraw/zinc/03/50/17/1169035017.db2.gz NAPVYGDZOMRBGR-AAEUAGOBSA-N 1 2 272.776 1.257 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001271349536 906263371 /nfs/dbraw/zinc/26/33/71/906263371.db2.gz IIQWEWBCWJEOJC-SNVBAGLBSA-N 1 2 294.317 1.314 10 30 CDEELO C#CCCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001567910488 1169061426 /nfs/dbraw/zinc/06/14/26/1169061426.db2.gz ICSXFXLAPKELEW-CYBMUJFWSA-N 1 2 291.420 1.979 10 30 CDEELO C#CCCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001567910488 1169061438 /nfs/dbraw/zinc/06/14/38/1169061438.db2.gz ICSXFXLAPKELEW-CYBMUJFWSA-N 1 2 291.420 1.979 10 30 CDEELO C[C@@H](C#N)C(=O)NC/C=C/C[NH2+]Cc1ncc(C2CC2)o1 ZINC001482990948 908656635 /nfs/dbraw/zinc/65/66/35/908656635.db2.gz KAPWQMVWXHYPAZ-VUDBWIFFSA-N 1 2 288.351 1.474 10 30 CDEELO C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccon1 ZINC001483062387 909215371 /nfs/dbraw/zinc/21/53/71/909215371.db2.gz NUBGGTZUWKUXMV-TYHIMRJMSA-N 1 2 291.351 1.028 10 30 CDEELO C=CCC[NH+]1CC2(C1)CN(C(=O)/C(C)=C/CC)CCO2 ZINC001484772892 916151966 /nfs/dbraw/zinc/15/19/66/916151966.db2.gz HEAHHAGKEXNORW-VGOFMYFVSA-N 1 2 278.396 1.832 10 30 CDEELO C=C(CC(C)C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC001123594079 936185142 /nfs/dbraw/zinc/18/51/42/936185142.db2.gz LKFIFNVONNYGOQ-ZDUSSCGKSA-N 1 2 254.374 1.426 10 30 CDEELO C#C[C@H]([NH2+]Cc1ccc(O)c(F)c1F)[C@@H]1CCCO1 ZINC001181042526 916779254 /nfs/dbraw/zinc/77/92/54/916779254.db2.gz GZXKFKOPAPIGRK-JQWIXIFHSA-N 1 2 267.275 1.941 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)CCC2CC2)C1 ZINC001485400483 916944579 /nfs/dbraw/zinc/94/45/79/916944579.db2.gz IKWOSECJOZIRTC-UHFFFAOYSA-N 1 2 266.385 1.306 10 30 CDEELO C=CCCCC(=O)NC1(CCO)C[NH+](CC=C(C)C)C1 ZINC001485416132 916956651 /nfs/dbraw/zinc/95/66/51/916956651.db2.gz WZMWYWXCPZGWQO-UHFFFAOYSA-N 1 2 280.412 1.862 10 30 CDEELO C#CCO[C@@H](C)C(=O)N[C@H]1C[N@H+](CC(=C)Cl)CC1(C)C ZINC001485569716 917091422 /nfs/dbraw/zinc/09/14/22/917091422.db2.gz NILQJJOVJFFQMA-STQMWFEESA-N 1 2 298.814 1.604 10 30 CDEELO C#CCO[C@@H](C)C(=O)N[C@H]1C[N@@H+](CC(=C)Cl)CC1(C)C ZINC001485569716 917091428 /nfs/dbraw/zinc/09/14/28/917091428.db2.gz NILQJJOVJFFQMA-STQMWFEESA-N 1 2 298.814 1.604 10 30 CDEELO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H](C)C1CC1 ZINC001272909949 920024365 /nfs/dbraw/zinc/02/43/65/920024365.db2.gz WBBOKJZOMLNVTF-HIFRSBDPSA-N 1 2 278.396 1.263 10 30 CDEELO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H](C)C1CC1 ZINC001272909949 920024377 /nfs/dbraw/zinc/02/43/77/920024377.db2.gz WBBOKJZOMLNVTF-HIFRSBDPSA-N 1 2 278.396 1.263 10 30 CDEELO C=CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2noc(CC)n2)C1 ZINC001491047359 936846419 /nfs/dbraw/zinc/84/64/19/936846419.db2.gz HSYLFNOZJWDXDD-TXEJJXNPSA-N 1 2 292.383 1.725 10 30 CDEELO Cc1ccn(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c(=O)c1C#N ZINC000853542833 928041014 /nfs/dbraw/zinc/04/10/14/928041014.db2.gz IQEVIZPDRRSVHC-IYBDPMFKSA-N 1 2 287.363 1.344 10 30 CDEELO Cc1ccn(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)c(=O)c1C#N ZINC000853542833 928041018 /nfs/dbraw/zinc/04/10/18/928041018.db2.gz IQEVIZPDRRSVHC-IYBDPMFKSA-N 1 2 287.363 1.344 10 30 CDEELO C=CCO[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001116567698 937457255 /nfs/dbraw/zinc/45/72/55/937457255.db2.gz OSXIHWRLMBZLBV-JSGCOSHPSA-N 1 2 275.352 1.249 10 30 CDEELO C=CCCCC(=O)N[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001275286384 931725455 /nfs/dbraw/zinc/72/54/55/931725455.db2.gz SFJRYRPTJDILTD-JTQLQIEISA-N 1 2 268.386 1.489 10 30 CDEELO C#CC[N@H+]1CCCN(C(=O)c2ccc(Cl)c(O)c2)CC1 ZINC001147290993 932465999 /nfs/dbraw/zinc/46/59/99/932465999.db2.gz CRABKHPEGKEPCR-UHFFFAOYSA-N 1 2 292.766 1.827 10 30 CDEELO C#CC[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(O)c2)CC1 ZINC001147290993 932466001 /nfs/dbraw/zinc/46/60/01/932466001.db2.gz CRABKHPEGKEPCR-UHFFFAOYSA-N 1 2 292.766 1.827 10 30 CDEELO C#C[C@@H]1COCCN1C(=O)NCc1cc[nH+]c(NCC)c1 ZINC001123623583 936190334 /nfs/dbraw/zinc/19/03/34/936190334.db2.gz ZMRPCTFXCHSSPY-CYBMUJFWSA-N 1 2 288.351 1.057 10 30 CDEELO C=C1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001166322203 939604136 /nfs/dbraw/zinc/60/41/36/939604136.db2.gz XHOULNIHAKCJRJ-UHFFFAOYSA-N 1 2 284.275 1.793 10 30 CDEELO C#Cc1ccc(C[NH2+]Cc2nc(N(C)C)n[nH]2)cc1 ZINC001204135526 939736992 /nfs/dbraw/zinc/73/69/92/939736992.db2.gz FLOXMHJPGCMQDZ-UHFFFAOYSA-N 1 2 255.325 1.142 10 30 CDEELO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001276842892 941636967 /nfs/dbraw/zinc/63/69/67/941636967.db2.gz SBGRXFMZIQOQBO-HNNXBMFYSA-N 1 2 276.380 1.327 10 30 CDEELO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001276842892 941636970 /nfs/dbraw/zinc/63/69/70/941636970.db2.gz SBGRXFMZIQOQBO-HNNXBMFYSA-N 1 2 276.380 1.327 10 30 CDEELO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)Oc1ccccc1F ZINC001276859461 941648760 /nfs/dbraw/zinc/64/87/60/941648760.db2.gz ATOVFEPBNVVDGF-STQMWFEESA-N 1 2 290.338 1.417 10 30 CDEELO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)Oc1ccccc1F ZINC001276859461 941648763 /nfs/dbraw/zinc/64/87/63/941648763.db2.gz ATOVFEPBNVVDGF-STQMWFEESA-N 1 2 290.338 1.417 10 30 CDEELO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001280411670 942436408 /nfs/dbraw/zinc/43/64/08/942436408.db2.gz CHISFCABVSPHSR-HOCLYGCPSA-N 1 2 278.396 1.736 10 30 CDEELO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001280411670 942436412 /nfs/dbraw/zinc/43/64/12/942436412.db2.gz CHISFCABVSPHSR-HOCLYGCPSA-N 1 2 278.396 1.736 10 30 CDEELO C=CCC[NH+]1CC2(C1)CN(C(=O)CC[C@@H](C)OC)CCO2 ZINC001280898949 942504195 /nfs/dbraw/zinc/50/41/95/942504195.db2.gz KYAWLTPBAQIIRV-CQSZACIVSA-N 1 2 296.411 1.291 10 30 CDEELO CCc1nnc(C[NH2+][C@H](C)[C@H](C)NC(=O)C#CC2CC2)o1 ZINC001282130000 942665389 /nfs/dbraw/zinc/66/53/89/942665389.db2.gz VSCZUNMEWJUPDE-MNOVXSKESA-N 1 2 290.367 1.028 10 30 CDEELO CCc1nnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C#CC2CC2)o1 ZINC001282129998 942666166 /nfs/dbraw/zinc/66/61/66/942666166.db2.gz VSCZUNMEWJUPDE-GHMZBOCLSA-N 1 2 290.367 1.028 10 30 CDEELO C=CCCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cnsn1 ZINC001282186979 942675238 /nfs/dbraw/zinc/67/52/38/942675238.db2.gz XWFOABYRHVZCJQ-GHMZBOCLSA-N 1 2 282.413 1.877 10 30 CDEELO C#CCC[NH+]1CC(CCO)(NC(=O)CCCC2CC2)C1 ZINC001282530435 942728012 /nfs/dbraw/zinc/72/80/12/942728012.db2.gz UIHHADFJICVIFN-UHFFFAOYSA-N 1 2 278.396 1.143 10 30 CDEELO C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[C@@H]2C#N)CC1 ZINC001362141634 970936970 /nfs/dbraw/zinc/93/69/70/970936970.db2.gz HPURZNFYXGVDGH-MWLCHTKSSA-N 1 2 271.311 1.334 10 30 CDEELO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[C@@H]2C#N)CC1 ZINC001362141634 970936975 /nfs/dbraw/zinc/93/69/75/970936975.db2.gz HPURZNFYXGVDGH-MWLCHTKSSA-N 1 2 271.311 1.334 10 30 CDEELO C=CCCC(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1noc(C)n1 ZINC001277822011 943692430 /nfs/dbraw/zinc/69/24/30/943692430.db2.gz CKEQHGZPMNJACP-YPMHNXCESA-N 1 2 292.383 1.986 10 30 CDEELO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C2)CCCC1 ZINC001265321663 944344651 /nfs/dbraw/zinc/34/46/51/944344651.db2.gz OHYMPYGQPPOCKH-ZDUSSCGKSA-N 1 2 293.411 1.059 10 30 CDEELO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C2)CCCC1 ZINC001265321663 944344662 /nfs/dbraw/zinc/34/46/62/944344662.db2.gz OHYMPYGQPPOCKH-ZDUSSCGKSA-N 1 2 293.411 1.059 10 30 CDEELO C=CC[NH+]1CCN(C(=O)c2cn3c(n2)C[C@H](C)CC3)CC1 ZINC001261286465 946038070 /nfs/dbraw/zinc/03/80/70/946038070.db2.gz WKLCZLJKCLOSTJ-CYBMUJFWSA-N 1 2 288.395 1.409 10 30 CDEELO C#CCCCC(=O)N[C@]1(C)CC[N@H+](Cc2ccon2)C1 ZINC001278387590 947449685 /nfs/dbraw/zinc/44/96/85/947449685.db2.gz CARQNWMCMALEHR-OAHLLOKOSA-N 1 2 275.352 1.559 10 30 CDEELO C#CCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccon2)C1 ZINC001278387590 947449690 /nfs/dbraw/zinc/44/96/90/947449690.db2.gz CARQNWMCMALEHR-OAHLLOKOSA-N 1 2 275.352 1.559 10 30 CDEELO C=CC(C)(C)C(=O)NCCC[N@@H+](C)Cc1nc(C)no1 ZINC001479788803 971418161 /nfs/dbraw/zinc/41/81/61/971418161.db2.gz FJAABPFZRAZURF-UHFFFAOYSA-N 1 2 280.372 1.528 10 30 CDEELO C=CC(C)(C)C(=O)NCCC[N@H+](C)Cc1nc(C)no1 ZINC001479788803 971418166 /nfs/dbraw/zinc/41/81/66/971418166.db2.gz FJAABPFZRAZURF-UHFFFAOYSA-N 1 2 280.372 1.528 10 30 CDEELO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001480106900 971580140 /nfs/dbraw/zinc/58/01/40/971580140.db2.gz PJYKAFNNSTYRMB-NSHDSACASA-N 1 2 278.356 1.289 10 30 CDEELO N#CCSc1cccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC001363018751 971818399 /nfs/dbraw/zinc/81/83/99/971818399.db2.gz GYAKBHRVFMAGFB-GFCCVEGCSA-N 1 2 298.371 1.853 10 30 CDEELO Cn1c[nH+]cc1CCC(=O)NCc1ccc(C#N)s1 ZINC001363081063 971871073 /nfs/dbraw/zinc/87/10/73/971871073.db2.gz IFLOYWFZNZRERQ-UHFFFAOYSA-N 1 2 274.349 1.602 10 30 CDEELO N#Cc1cccc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)n1 ZINC001363620619 953559473 /nfs/dbraw/zinc/55/94/73/953559473.db2.gz DEZVNKWDQXIVMT-UHFFFAOYSA-N 1 2 281.319 1.485 10 30 CDEELO C#CC[N@H+]1CCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001493105486 971952283 /nfs/dbraw/zinc/95/22/83/971952283.db2.gz NJVVDZFFCBQIOP-BDAKNGLRSA-N 1 2 266.238 1.101 10 30 CDEELO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001493105486 971952288 /nfs/dbraw/zinc/95/22/88/971952288.db2.gz NJVVDZFFCBQIOP-BDAKNGLRSA-N 1 2 266.238 1.101 10 30 CDEELO C=CCO[C@H]1CC[N@@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC001325228484 953784225 /nfs/dbraw/zinc/78/42/25/953784225.db2.gz OVBQHTWWOCASHE-VIFPVBQESA-N 1 2 291.273 1.951 10 30 CDEELO C=CCO[C@H]1CC[N@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC001325228484 953784234 /nfs/dbraw/zinc/78/42/34/953784234.db2.gz OVBQHTWWOCASHE-VIFPVBQESA-N 1 2 291.273 1.951 10 30 CDEELO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001294759896 954556677 /nfs/dbraw/zinc/55/66/77/954556677.db2.gz HNYHDOOENIENEA-LBPRGKRZSA-N 1 2 290.367 1.026 10 30 CDEELO C=CC(C)(C)CC(=O)NCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001296088545 954809397 /nfs/dbraw/zinc/80/93/97/954809397.db2.gz GJUTZRVQSPQLJD-UHFFFAOYSA-N 1 2 292.383 1.129 10 30 CDEELO COCC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(C)=O ZINC001328463601 955302172 /nfs/dbraw/zinc/30/21/72/955302172.db2.gz IDRUZLUEAVOLGV-QGZVFWFLSA-N 1 2 286.375 1.372 10 30 CDEELO COCC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(C)=O ZINC001328463601 955302179 /nfs/dbraw/zinc/30/21/79/955302179.db2.gz IDRUZLUEAVOLGV-QGZVFWFLSA-N 1 2 286.375 1.372 10 30 CDEELO C=CCC(C)(C)C(=O)N(C)CC[NH2+]Cc1nnc(C)o1 ZINC001493709121 972103558 /nfs/dbraw/zinc/10/35/58/972103558.db2.gz NVIKWDDNFQAGID-UHFFFAOYSA-N 1 2 280.372 1.528 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H](C)CCC)C1 ZINC001329643194 956043906 /nfs/dbraw/zinc/04/39/06/956043906.db2.gz ZNOOGSQEXCMNPU-CYBMUJFWSA-N 1 2 268.401 1.552 10 30 CDEELO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cnns2)C1 ZINC001366177491 956622811 /nfs/dbraw/zinc/62/28/11/956622811.db2.gz DSDQLPXEEYGTDS-MNOVXSKESA-N 1 2 293.396 1.026 10 30 CDEELO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC001366177491 956622819 /nfs/dbraw/zinc/62/28/19/956622819.db2.gz DSDQLPXEEYGTDS-MNOVXSKESA-N 1 2 293.396 1.026 10 30 CDEELO C=C(C)CCC(=O)NC1C[NH+](CCCN2CCCC2=O)C1 ZINC001494394859 972224570 /nfs/dbraw/zinc/22/45/70/972224570.db2.gz XLLPUKBWOVGDLT-UHFFFAOYSA-N 1 2 293.411 1.156 10 30 CDEELO C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](CNCC#N)C1 ZINC001316702491 956989760 /nfs/dbraw/zinc/98/97/60/956989760.db2.gz GFCRRYZHAHEUJT-KGLIPLIRSA-N 1 2 289.383 1.013 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001494474517 972238100 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C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C(F)C(F)(F)F ZINC001317423197 957465727 /nfs/dbraw/zinc/46/57/27/957465727.db2.gz LSUNWKOURYFYMQ-WDEREUQCSA-N 1 2 294.292 1.881 10 30 CDEELO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(F)C(F)(F)F ZINC001317423197 957465730 /nfs/dbraw/zinc/46/57/30/957465730.db2.gz LSUNWKOURYFYMQ-WDEREUQCSA-N 1 2 294.292 1.881 10 30 CDEELO C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001317423197 957465733 /nfs/dbraw/zinc/46/57/33/957465733.db2.gz LSUNWKOURYFYMQ-WDEREUQCSA-N 1 2 294.292 1.881 10 30 CDEELO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001317423197 957465737 /nfs/dbraw/zinc/46/57/37/957465737.db2.gz LSUNWKOURYFYMQ-WDEREUQCSA-N 1 2 294.292 1.881 10 30 CDEELO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCOCC(C)C)C1 ZINC001494694668 972290227 /nfs/dbraw/zinc/29/02/27/972290227.db2.gz CZZJUAGVPNZUMG-ZDUSSCGKSA-N 1 2 288.819 1.992 10 30 CDEELO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCOCC(C)C)C1 ZINC001494694668 972290228 /nfs/dbraw/zinc/29/02/28/972290228.db2.gz 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897377742 /nfs/dbraw/zinc/37/77/42/897377742.db2.gz UAXQMDNUSZGFMY-AWEZNQCLSA-N 1 2 288.395 1.832 10 30 CDEELO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C)cn1 ZINC001267261325 897377753 /nfs/dbraw/zinc/37/77/53/897377753.db2.gz UAXQMDNUSZGFMY-AWEZNQCLSA-N 1 2 288.395 1.832 10 30 CDEELO C=CCC1(C(=O)N(C)CC[NH2+]Cc2nncs2)CCC1 ZINC001481276817 899910172 /nfs/dbraw/zinc/91/01/72/899910172.db2.gz DHWUMNSHJUIQAT-UHFFFAOYSA-N 1 2 294.424 1.833 10 30 CDEELO C#CCN1CC[NH+](CCN(C)C(=O)C(C)(C)CC=C)CC1 ZINC001481473046 900834157 /nfs/dbraw/zinc/83/41/57/900834157.db2.gz JHKXENPGDAHPEH-UHFFFAOYSA-N 1 2 291.439 1.298 10 30 CDEELO C=C[C@@](C)(O)CC(=O)NC1C[NH+](Cc2cccc(C)c2)C1 ZINC001481556766 901206167 /nfs/dbraw/zinc/20/61/67/901206167.db2.gz ZQAPOPWSDRLDPZ-QGZVFWFLSA-N 1 2 288.391 1.623 10 30 CDEELO C#CCCCC(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001481623066 901492761 /nfs/dbraw/zinc/49/27/61/901492761.db2.gz UTZXDCOSQMVSPN-UHFFFAOYSA-N 1 2 289.354 1.572 10 30 CDEELO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(CC=C)CC=C ZINC001481671334 901768319 /nfs/dbraw/zinc/76/83/19/901768319.db2.gz PCJLFLPLKNIHDL-GJZGRUSLSA-N 1 2 258.365 1.673 10 30 CDEELO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(CC=C)CC=C ZINC001481671334 901768329 /nfs/dbraw/zinc/76/83/29/901768329.db2.gz PCJLFLPLKNIHDL-GJZGRUSLSA-N 1 2 258.365 1.673 10 30 CDEELO C#CCCCC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nc(C)no1 ZINC001268685160 902955026 /nfs/dbraw/zinc/95/50/26/902955026.db2.gz CVVUDXXDCIFQBR-WDEREUQCSA-N 1 2 278.356 1.337 10 30 CDEELO C=CCCC(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C)n1 ZINC001268723799 903019984 /nfs/dbraw/zinc/01/99/84/903019984.db2.gz ILVLQNJTHITBOZ-GFCCVEGCSA-N 1 2 264.373 1.323 10 30 CDEELO C=CCCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001268723799 903019997 /nfs/dbraw/zinc/01/99/97/903019997.db2.gz ILVLQNJTHITBOZ-GFCCVEGCSA-N 1 2 264.373 1.323 10 30 CDEELO C=CCCC(=O)N[C@H](C)C[N@H+](C)CC(=O)Nc1ccon1 ZINC001268726374 903035519 /nfs/dbraw/zinc/03/55/19/903035519.db2.gz PSPWTNRARBZSDW-LLVKDONJSA-N 1 2 294.355 1.016 10 30 CDEELO C=CCCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)Nc1ccon1 ZINC001268726374 903035531 /nfs/dbraw/zinc/03/55/31/903035531.db2.gz PSPWTNRARBZSDW-LLVKDONJSA-N 1 2 294.355 1.016 10 30 CDEELO CC(C)C[C@H](C(=O)N[C@H](C)CN(C)CC#N)n1cc[nH+]c1 ZINC001268735262 903051155 /nfs/dbraw/zinc/05/11/55/903051155.db2.gz KHPKMTWFRDJBRD-ZIAGYGMSSA-N 1 2 291.399 1.430 10 30 CDEELO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2(C(F)F)CCC2)C1 ZINC001482195720 903163607 /nfs/dbraw/zinc/16/36/07/903163607.db2.gz BNAGOFPXIXCNSB-NSHDSACASA-N 1 2 288.338 1.425 10 30 CDEELO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2(C(F)F)CCC2)C1 ZINC001482195720 903163610 /nfs/dbraw/zinc/16/36/10/903163610.db2.gz BNAGOFPXIXCNSB-NSHDSACASA-N 1 2 288.338 1.425 10 30 CDEELO COCCC(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001269189882 903520243 /nfs/dbraw/zinc/52/02/43/903520243.db2.gz ZCMPETXNMAKLKY-MRXNPFEDSA-N 1 2 286.375 1.265 10 30 CDEELO COCCC(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001269189882 903520258 /nfs/dbraw/zinc/52/02/58/903520258.db2.gz ZCMPETXNMAKLKY-MRXNPFEDSA-N 1 2 286.375 1.265 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)COc2ccc(F)c(F)c2)C1 ZINC001567820894 1168993031 /nfs/dbraw/zinc/99/30/31/1168993031.db2.gz VKTDMRQBGLGXJP-UHFFFAOYSA-N 1 2 294.301 1.167 10 30 CDEELO CC(C)CCOCC[NH+]1CC(N(C)C(=O)[C@@H](C)C#N)C1 ZINC001499646079 904004604 /nfs/dbraw/zinc/00/46/04/904004604.db2.gz QGAYLANCPCHDNV-ZDUSSCGKSA-N 1 2 281.400 1.351 10 30 CDEELO C#CC[NH2+][C@H](CNC(=O)C(F)C(F)(F)F)C(C)C ZINC001271845397 906887994 /nfs/dbraw/zinc/88/79/94/906887994.db2.gz KEBDPHHPGLPSOQ-BDAKNGLRSA-N 1 2 268.254 1.250 10 30 CDEELO C#CC[NH2+][C@H](CNC(=O)[C@H](F)C(F)(F)F)C(C)C ZINC001271845397 906888013 /nfs/dbraw/zinc/88/80/13/906888013.db2.gz KEBDPHHPGLPSOQ-BDAKNGLRSA-N 1 2 268.254 1.250 10 30 CDEELO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)COC)C1 ZINC001409839170 911885204 /nfs/dbraw/zinc/88/52/04/911885204.db2.gz KDIXNVBVZHXYSI-MWLCHTKSSA-N 1 2 274.792 1.458 10 30 CDEELO C[C@@H](C#N)C(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccon2)C1 ZINC001484153057 915468220 /nfs/dbraw/zinc/46/82/20/915468220.db2.gz SRIDLOSNNQEDEK-SWLSCSKDSA-N 1 2 290.367 1.553 10 30 CDEELO C[C@@H](C#N)C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccon2)C1 ZINC001484153057 915468226 /nfs/dbraw/zinc/46/82/26/915468226.db2.gz SRIDLOSNNQEDEK-SWLSCSKDSA-N 1 2 290.367 1.553 10 30 CDEELO C#C[C@H]([NH2+]Cc1ncc(COC)s1)[C@H]1CCCO1 ZINC000775342649 921799408 /nfs/dbraw/zinc/79/94/08/921799408.db2.gz RYMAMBHJPRESME-NWDGAFQWSA-N 1 2 266.366 1.560 10 30 CDEELO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(O)c(F)c1F ZINC001180301417 916241034 /nfs/dbraw/zinc/24/10/34/916241034.db2.gz NQXZXBOKBFWRQU-UHFFFAOYSA-N 1 2 291.319 1.361 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@H](C)[N@H+](C)Cc1cc(C)n(C)n1 ZINC001485338774 916876211 /nfs/dbraw/zinc/87/62/11/916876211.db2.gz QFATZIZEYHBMMT-ZDUSSCGKSA-N 1 2 292.427 1.877 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1cc(C)n(C)n1 ZINC001485338774 916876217 /nfs/dbraw/zinc/87/62/17/916876217.db2.gz QFATZIZEYHBMMT-ZDUSSCGKSA-N 1 2 292.427 1.877 10 30 CDEELO CC#CC[N@H+](C)[C@@H](C)CNC(=O)c1cccc2nc[nH]c21 ZINC001485362452 916886704 /nfs/dbraw/zinc/88/67/04/916886704.db2.gz HVKBRIAVCUFDJR-LBPRGKRZSA-N 1 2 284.363 1.636 10 30 CDEELO CC#CC[N@@H+](C)[C@@H](C)CNC(=O)c1cccc2nc[nH]c21 ZINC001485362452 916886711 /nfs/dbraw/zinc/88/67/11/916886711.db2.gz HVKBRIAVCUFDJR-LBPRGKRZSA-N 1 2 284.363 1.636 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001485401328 916944437 /nfs/dbraw/zinc/94/44/37/916944437.db2.gz MVXHRYABWUYKIJ-FICVDOATSA-N 1 2 292.423 1.552 10 30 CDEELO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[C@@H](F)C2)C1 ZINC001485407714 916950300 /nfs/dbraw/zinc/95/03/00/916950300.db2.gz NLGOSYVXNLPETE-ZIAGYGMSSA-N 1 2 296.386 1.091 10 30 CDEELO C#CC1(O)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000826972191 936459235 /nfs/dbraw/zinc/45/92/35/936459235.db2.gz TZMYOXAWZOETQZ-UHFFFAOYSA-N 1 2 269.304 1.163 10 30 CDEELO CC#CC[NH2+]CC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001272789313 919288932 /nfs/dbraw/zinc/28/89/32/919288932.db2.gz CBPXWOCCBKHEBN-DTWKUNHWSA-N 1 2 268.254 1.395 10 30 CDEELO CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001272789313 919288947 /nfs/dbraw/zinc/28/89/47/919288947.db2.gz CBPXWOCCBKHEBN-DTWKUNHWSA-N 1 2 268.254 1.395 10 30 CDEELO CCc1[nH]c(CNC(=O)Cc2cccc(OCC#N)c2)c[nH+]1 ZINC001413624101 936644276 /nfs/dbraw/zinc/64/42/76/936644276.db2.gz TTXNISYACOVJAT-UHFFFAOYSA-N 1 2 298.346 1.733 10 30 CDEELO CCc1[nH]cc(CNC(=O)Cc2cccc(OCC#N)c2)[nH+]1 ZINC001413624101 936644277 /nfs/dbraw/zinc/64/42/77/936644277.db2.gz TTXNISYACOVJAT-UHFFFAOYSA-N 1 2 298.346 1.733 10 30 CDEELO C=CCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C)o1 ZINC001491244339 936882311 /nfs/dbraw/zinc/88/23/11/936882311.db2.gz XXDWAEJMHQDTRI-CYBMUJFWSA-N 1 2 292.383 1.815 10 30 CDEELO C=C(Br)C[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000839677395 936919702 /nfs/dbraw/zinc/91/97/02/936919702.db2.gz RAAWHKPDYQZPSG-SECBINFHSA-N 1 2 294.214 1.733 10 30 CDEELO C=C(Br)C[N@@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000839677395 936919704 /nfs/dbraw/zinc/91/97/04/936919704.db2.gz RAAWHKPDYQZPSG-SECBINFHSA-N 1 2 294.214 1.733 10 30 CDEELO CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2[nH]cc[nH+]2)c1 ZINC000101887483 924572491 /nfs/dbraw/zinc/57/24/91/924572491.db2.gz RPPVTRMPMJGKTL-AATRIKPKSA-N 1 2 291.332 1.677 10 30 CDEELO N#C[C@@H]1CCC[N@H+](C[C@H]2CCC[C@]3(CCOC3)O2)C1 ZINC001197629702 925191243 /nfs/dbraw/zinc/19/12/43/925191243.db2.gz ISHJGESZJCIYEC-RRFJBIMHSA-N 1 2 264.369 1.950 10 30 CDEELO N#C[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@]3(CCOC3)O2)C1 ZINC001197629702 925191248 /nfs/dbraw/zinc/19/12/48/925191248.db2.gz ISHJGESZJCIYEC-RRFJBIMHSA-N 1 2 264.369 1.950 10 30 CDEELO O=[S@]1CCCC(=[NH+]n2cc(Br)cn2)CC1 ZINC000853325618 928002711 /nfs/dbraw/zinc/00/27/11/928002711.db2.gz XJCRDGXWQQJBTA-HNNXBMFYSA-N 1 2 290.186 1.782 10 30 CDEELO C#C[C@H](CC)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000854072521 928149097 /nfs/dbraw/zinc/14/90/97/928149097.db2.gz GJKPDDAICKDBML-GFCCVEGCSA-N 1 2 260.341 1.711 10 30 CDEELO 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/nfs/dbraw/zinc/26/23/87/351262387.db2.gz QMKIGARHYSJEKT-UHFFFAOYSA-N 1 2 297.443 1.999 10 30 CDEELO COc1cc(C(=O)NC[C@H]2CCn3cc[nH+]c3C2)on1 ZINC000328618332 351304736 /nfs/dbraw/zinc/30/47/36/351304736.db2.gz DPMVBLKMRWEWCK-VIFPVBQESA-N 1 2 276.296 1.447 10 30 CDEELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)C1(C#N)CCCC1 ZINC000328636456 351310277 /nfs/dbraw/zinc/31/02/77/351310277.db2.gz VMHLFXAPQDVFTF-CYBMUJFWSA-N 1 2 286.379 1.988 10 30 CDEELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)Nc1cnn(C)c1 ZINC000328643883 351312405 /nfs/dbraw/zinc/31/24/05/351312405.db2.gz ZBANTKZXIFPLEY-LLVKDONJSA-N 1 2 288.355 1.357 10 30 CDEELO C=CC[C@@H](CO)CNc1nc2ccccc2n2c[nH+]cc12 ZINC000624084772 351411431 /nfs/dbraw/zinc/41/14/31/351411431.db2.gz NCOJZNFBQWZHCE-GFCCVEGCSA-N 1 2 282.347 1.901 10 30 CDEELO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC3(C#N)CCC3)CC[C@@H]21 ZINC000333648684 363077105 /nfs/dbraw/zinc/07/71/05/363077105.db2.gz DPAICBPTULENOR-OLZOCXBDSA-N 1 2 276.384 1.557 10 30 CDEELO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC3(C#N)CCC3)CC[C@@H]21 ZINC000333648684 363077108 /nfs/dbraw/zinc/07/71/08/363077108.db2.gz DPAICBPTULENOR-OLZOCXBDSA-N 1 2 276.384 1.557 10 30 CDEELO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)cnn1C ZINC000570011268 363283519 /nfs/dbraw/zinc/28/35/19/363283519.db2.gz VMFKDQLDPLIGOQ-LBPRGKRZSA-N 1 2 289.383 1.111 10 30 CDEELO Cc1c(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)cnn1C ZINC000570011268 363283523 /nfs/dbraw/zinc/28/35/23/363283523.db2.gz VMFKDQLDPLIGOQ-LBPRGKRZSA-N 1 2 289.383 1.111 10 30 CDEELO N#Cc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)s1 ZINC000336454300 356183014 /nfs/dbraw/zinc/18/30/14/356183014.db2.gz NYUPTXLEZRLENS-UHFFFAOYSA-N 1 2 261.350 1.540 10 30 CDEELO N#Cc1cccc(OCCC[N@@H+]2CCn3nncc3C2)c1 ZINC000584061220 366258854 /nfs/dbraw/zinc/25/88/54/366258854.db2.gz DZRLWPFUYMWWEA-UHFFFAOYSA-N 1 2 283.335 1.434 10 30 CDEELO N#Cc1cccc(OCCC[N@H+]2CCn3nncc3C2)c1 ZINC000584061220 366258858 /nfs/dbraw/zinc/25/88/58/366258858.db2.gz DZRLWPFUYMWWEA-UHFFFAOYSA-N 1 2 283.335 1.434 10 30 CDEELO Cc1cc(C#N)nc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)n1 ZINC000288006566 359145810 /nfs/dbraw/zinc/14/58/10/359145810.db2.gz SEYHQVWILRLLGK-RYUDHWBXSA-N 1 2 275.356 1.178 10 30 CDEELO C=CCCCN(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000265507760 359331470 /nfs/dbraw/zinc/33/14/70/359331470.db2.gz FJIHWWPAFTZMCV-LBPRGKRZSA-N 1 2 250.346 1.879 10 30 CDEELO C#CCC(CC#C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000277474340 359562813 /nfs/dbraw/zinc/56/28/13/359562813.db2.gz PXKHAKJGBJFAOG-UHFFFAOYSA-N 1 2 295.386 1.389 10 30 CDEELO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000278199445 359578670 /nfs/dbraw/zinc/57/86/70/359578670.db2.gz FVSIEBZHIOWTJJ-DGCLKSJQSA-N 1 2 263.341 1.360 10 30 CDEELO C=CC[C@H](CO)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000337039773 359970818 /nfs/dbraw/zinc/97/08/18/359970818.db2.gz AFIPCHXEGYPLFL-GFCCVEGCSA-N 1 2 273.336 1.549 10 30 CDEELO N#CCc1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000335364985 360162160 /nfs/dbraw/zinc/16/21/60/360162160.db2.gz 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/nfs/dbraw/zinc/23/65/70/364236570.db2.gz CQPKNOISJUSYOG-ONGXEEELSA-N 1 2 251.355 1.750 10 30 CDEELO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356216800 364236572 /nfs/dbraw/zinc/23/65/72/364236572.db2.gz CQPKNOISJUSYOG-ONGXEEELSA-N 1 2 251.355 1.750 10 30 CDEELO N#Cc1ccc2[nH+]cc(CN3CCOC[C@@]34CCOC4)n2c1 ZINC000367048115 364628342 /nfs/dbraw/zinc/62/83/42/364628342.db2.gz QVAWAMVEMDXINE-INIZCTEOSA-N 1 2 298.346 1.197 10 30 CDEELO OC[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@H]1O ZINC000514628315 364762743 /nfs/dbraw/zinc/76/27/43/364762743.db2.gz NYAKAYWEBULCLK-DZGCQCFKSA-N 1 2 279.767 1.367 10 30 CDEELO OC[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1O ZINC000514628315 364762750 /nfs/dbraw/zinc/76/27/50/364762750.db2.gz NYAKAYWEBULCLK-DZGCQCFKSA-N 1 2 279.767 1.367 10 30 CDEELO CC#CC[NH2+]Cc1cn(Cc2cc(C)ccc2F)nn1 ZINC000641091051 365027977 /nfs/dbraw/zinc/02/79/77/365027977.db2.gz NUJUYXRNYMKZBP-UHFFFAOYSA-N 1 2 272.327 1.887 10 30 CDEELO CC#CC[NH2+]Cc1cn(C[C@H](OCC)C2CC2)nn1 ZINC000641186595 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C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000515497065 374129276 /nfs/dbraw/zinc/12/92/76/374129276.db2.gz OEPOVXXOSDXTSJ-LBPRGKRZSA-N 1 2 298.346 1.655 10 30 CDEELO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000515497065 374129283 /nfs/dbraw/zinc/12/92/83/374129283.db2.gz OEPOVXXOSDXTSJ-LBPRGKRZSA-N 1 2 298.346 1.655 10 30 CDEELO C=CC[C@H](CO)Nc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631207788 376008020 /nfs/dbraw/zinc/00/80/20/376008020.db2.gz XQTSNTUXIVEHNE-SNVBAGLBSA-N 1 2 258.325 1.606 10 30 CDEELO C[C@]1(F)CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000295548315 376024719 /nfs/dbraw/zinc/02/47/19/376024719.db2.gz WVNWGHWEISPQHT-INIZCTEOSA-N 1 2 289.354 1.998 10 30 CDEELO C[C@]1(F)CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000295548315 376024726 /nfs/dbraw/zinc/02/47/26/376024726.db2.gz WVNWGHWEISPQHT-INIZCTEOSA-N 1 2 289.354 1.998 10 30 CDEELO N#Cc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000171647611 376892000 /nfs/dbraw/zinc/89/20/00/376892000.db2.gz 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ZINC000357734289 266353435 /nfs/dbraw/zinc/35/34/35/266353435.db2.gz WIMYYXAYDOFQNP-SNVBAGLBSA-N 1 2 280.397 1.485 10 30 CDEELO N#Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)s1 ZINC000528780540 268224065 /nfs/dbraw/zinc/22/40/65/268224065.db2.gz JPHZIYSXHXKNKN-OLZOCXBDSA-N 1 2 296.417 1.771 10 30 CDEELO N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)s1 ZINC000528780540 268224066 /nfs/dbraw/zinc/22/40/66/268224066.db2.gz JPHZIYSXHXKNKN-OLZOCXBDSA-N 1 2 296.417 1.771 10 30 CDEELO COCCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1=O ZINC000190788415 270285667 /nfs/dbraw/zinc/28/56/67/270285667.db2.gz FBLNKGJZZVNRAI-UHFFFAOYSA-N 1 2 287.363 1.239 10 30 CDEELO COCCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1=O ZINC000190788415 270285668 /nfs/dbraw/zinc/28/56/68/270285668.db2.gz FBLNKGJZZVNRAI-UHFFFAOYSA-N 1 2 287.363 1.239 10 30 CDEELO Cc1cn2c([nH+]1)CN(c1nc(C)cc(C#N)n1)CC2 ZINC000367427235 279003852 /nfs/dbraw/zinc/00/38/52/279003852.db2.gz XIVOANRCIMAKLE-UHFFFAOYSA-N 1 2 254.297 1.182 10 30 CDEELO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570726719 294296764 /nfs/dbraw/zinc/29/67/64/294296764.db2.gz FZYRLLZANWGASB-FVINQWEUSA-N 1 2 295.364 1.665 10 30 CDEELO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570726719 294296768 /nfs/dbraw/zinc/29/67/68/294296768.db2.gz FZYRLLZANWGASB-FVINQWEUSA-N 1 2 295.364 1.665 10 30 CDEELO C=CCCC(=O)N[C@H](C)C[NH2+]Cc1cnsn1 ZINC001669256104 1173526558 /nfs/dbraw/zinc/52/65/58/1173526558.db2.gz VCIUWYYKEIYHPN-SECBINFHSA-N 1 2 254.359 1.099 10 30 CDEELO N#Cc1cccnc1N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000301221896 303208623 /nfs/dbraw/zinc/20/86/23/303208623.db2.gz BZDWWGWVPXNCOB-OAHLLOKOSA-N 1 2 286.379 1.644 10 30 CDEELO C=CCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2coc(C)n2)C1 ZINC001671981780 1173729840 /nfs/dbraw/zinc/72/98/40/1173729840.db2.gz GLONZKIDACJRDH-OAHLLOKOSA-N 1 2 293.367 1.002 10 30 CDEELO C=CCCC(=O)NC[C@]1(O)CC[N@H+](Cc2coc(C)n2)C1 ZINC001671981780 1173729842 /nfs/dbraw/zinc/72/98/42/1173729842.db2.gz GLONZKIDACJRDH-OAHLLOKOSA-N 1 2 293.367 1.002 10 30 CDEELO COC(=O)CC1([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000577519414 317348102 /nfs/dbraw/zinc/34/81/02/317348102.db2.gz WLSLLNSQLJRGOD-UHFFFAOYSA-N 1 2 289.291 1.652 10 30 CDEELO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)CCCC(C)=O ZINC001673027674 1173817189 /nfs/dbraw/zinc/81/71/89/1173817189.db2.gz MRYXGHJQUBRVGT-OAHLLOKOSA-N 1 2 296.411 1.529 10 30 CDEELO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)CCCC(C)=O ZINC001673027674 1173817197 /nfs/dbraw/zinc/81/71/97/1173817197.db2.gz MRYXGHJQUBRVGT-OAHLLOKOSA-N 1 2 296.411 1.529 10 30 CDEELO C=CCC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC000564651082 327152704 /nfs/dbraw/zinc/15/27/04/327152704.db2.gz JTFKUOPPLBLCCG-CYBMUJFWSA-N 1 2 289.379 1.687 10 30 CDEELO C=CCCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000448012685 330882918 /nfs/dbraw/zinc/88/29/18/330882918.db2.gz UOACAOHWAWNUAZ-UHFFFAOYSA-N 1 2 267.373 1.117 10 30 CDEELO CN(CC#Cc1ccccc1Cl)CC[NH+]1CCOCC1 ZINC000135038604 334113257 /nfs/dbraw/zinc/11/32/57/334113257.db2.gz BUVSOVBAFXNKGB-UHFFFAOYSA-N 1 2 292.810 1.956 10 30 CDEELO C=CCCC(=O)N[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001746848012 1160175703 /nfs/dbraw/zinc/17/57/03/1160175703.db2.gz KFNACERJQMRWGB-GFCCVEGCSA-N 1 2 292.383 1.175 10 30 CDEELO C#CCC[NH+]1CC(N(C)C(=O)C2(CCOC)CCCC2)C1 ZINC001483895061 1161239685 /nfs/dbraw/zinc/23/96/85/1161239685.db2.gz SSXBFPSUFPHRKO-UHFFFAOYSA-N 1 2 292.423 1.749 10 30 CDEELO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H](C)SC)C1 ZINC001716736525 1180386846 /nfs/dbraw/zinc/38/68/46/1180386846.db2.gz WKRKYRSXHYFRSF-LLVKDONJSA-N 1 2 272.414 1.083 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)C(C)(C)C(=C)C)C1 ZINC001716940418 1180473957 /nfs/dbraw/zinc/47/39/57/1180473957.db2.gz IPOMLOSMEZCRLG-UHFFFAOYSA-N 1 2 266.385 1.328 10 30 CDEELO CC[NH2+][C@@](C#N)(CN1C[C@@H](C)OC[C@@H]1CC)C1CC1 ZINC000069080439 520128242 /nfs/dbraw/zinc/12/82/42/520128242.db2.gz AYNXNZDDFFJSPM-SNPRPXQTSA-N 1 2 265.401 1.768 10 30 CDEELO CC[NH2+][C@](C)(C#N)CCCCSc1n[nH]c(=O)n1CC ZINC000061607189 520225797 /nfs/dbraw/zinc/22/57/97/520225797.db2.gz MFTWLIWJJGIGAP-ZDUSSCGKSA-N 1 2 297.428 1.745 10 30 CDEELO C[N@H+](C[C@](C#N)(NC1CC1)C1CC1)C1CCOCC1 ZINC000069078384 523151868 /nfs/dbraw/zinc/15/18/68/523151868.db2.gz WIEHSZZIKNUTSV-HNNXBMFYSA-N 1 2 263.385 1.522 10 30 CDEELO C[N@@H+](C[C@](C#N)(NC1CC1)C1CC1)C1CCOCC1 ZINC000069078384 523151883 /nfs/dbraw/zinc/15/18/83/523151883.db2.gz WIEHSZZIKNUTSV-HNNXBMFYSA-N 1 2 263.385 1.522 10 30 CDEELO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#CCO)s1 ZINC000049239568 524959236 /nfs/dbraw/zinc/95/92/36/524959236.db2.gz ZJEWYIBYTATBGZ-NSHDSACASA-N 1 2 289.360 1.107 10 30 CDEELO N#CC[C@@H]([NH2+]C1CCS(=O)(=O)CC1)c1ccccc1 ZINC000055016897 526480259 /nfs/dbraw/zinc/48/02/59/526480259.db2.gz RFUFKLJWVFULRK-CQSZACIVSA-N 1 2 278.377 1.808 10 30 CDEELO N#C[C@@H](C(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000061614832 526491656 /nfs/dbraw/zinc/49/16/56/526491656.db2.gz LMRJDYBUSQUOLN-CYBMUJFWSA-N 1 2 254.293 1.307 10 30 CDEELO N#C[C@H]([NH3+])CCSc1nnnn1C1CCCC1 ZINC000062454869 526510034 /nfs/dbraw/zinc/51/00/34/526510034.db2.gz PHKCBGUNWUWBFT-MRVPVSSYSA-N 1 2 252.347 1.121 10 30 CDEELO N#Cc1ccc(CC(=O)N2CCn3cc[nH+]c3C2)cc1 ZINC000110617081 526605331 /nfs/dbraw/zinc/60/53/31/526605331.db2.gz LQIDMOLHLRPKHN-UHFFFAOYSA-N 1 2 266.304 1.340 10 30 CDEELO C=CC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001678307012 1174429729 /nfs/dbraw/zinc/42/97/29/1174429729.db2.gz OLYQYFHNNNTZTJ-NSHDSACASA-N 1 2 292.383 1.128 10 30 CDEELO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CCCNC1=O ZINC000329803518 538657486 /nfs/dbraw/zinc/65/74/86/538657486.db2.gz LEWQIDYUFQGDCK-NSHDSACASA-N 1 2 293.371 1.662 10 30 CDEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CC=CC1)O2 ZINC001687937684 1174849553 /nfs/dbraw/zinc/84/95/53/1174849553.db2.gz CNVWFISGZDJHLY-CQSZACIVSA-N 1 2 276.380 1.488 10 30 CDEELO C=CCN1C(=O)/C(=C\c2[nH]cc[nH+]2)SC1=S ZINC000731155171 575035495 /nfs/dbraw/zinc/03/54/95/575035495.db2.gz BIMZXWRYILMDSN-VOTSOKGWSA-N 1 2 251.336 1.797 10 30 CDEELO OCC[C@H]1COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000767595133 576209316 /nfs/dbraw/zinc/20/93/16/576209316.db2.gz XYGPHTLLISVJSS-HNNXBMFYSA-N 1 2 279.767 1.775 10 30 CDEELO OCC[C@H]1COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000767595133 576209320 /nfs/dbraw/zinc/20/93/20/576209320.db2.gz XYGPHTLLISVJSS-HNNXBMFYSA-N 1 2 279.767 1.775 10 30 CDEELO OCC[C@@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000767596886 576209591 /nfs/dbraw/zinc/20/95/91/576209591.db2.gz DUQZKHCTWLMDHL-OAHLLOKOSA-N 1 2 263.312 1.260 10 30 CDEELO OCC[C@@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000767596886 576209592 /nfs/dbraw/zinc/20/95/92/576209592.db2.gz DUQZKHCTWLMDHL-OAHLLOKOSA-N 1 2 263.312 1.260 10 30 CDEELO COc1cc(C)[nH+]c(CN=Nc2nccnc2OC)c1 ZINC000763413481 576735448 /nfs/dbraw/zinc/73/54/48/576735448.db2.gz UCGVQHNWIWKMJU-UHFFFAOYSA-N 1 2 273.296 1.643 10 30 CDEELO C#CC[NH+]1CCN(C(=O)CN(CC)c2ccc(C)cc2)CC1 ZINC000748816051 576926863 /nfs/dbraw/zinc/92/68/63/576926863.db2.gz 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C=CCC1(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CCC1 ZINC000913451607 630484809 /nfs/dbraw/zinc/48/48/09/630484809.db2.gz PXPLSCISKKMWSX-ZDUSSCGKSA-N 1 2 274.368 1.629 10 30 CDEELO N#Cc1ccc(OCC(=O)O[C@H]2CC[N@@H+](CCF)C2)cc1 ZINC000788079579 633213546 /nfs/dbraw/zinc/21/35/46/633213546.db2.gz DUTLMAOYNDXPBM-AWEZNQCLSA-N 1 2 292.310 1.524 10 30 CDEELO N#Cc1ccc(OCC(=O)O[C@H]2CC[N@H+](CCF)C2)cc1 ZINC000788079579 633213549 /nfs/dbraw/zinc/21/35/49/633213549.db2.gz DUTLMAOYNDXPBM-AWEZNQCLSA-N 1 2 292.310 1.524 10 30 CDEELO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CCC)OCC ZINC001670676499 1158687843 /nfs/dbraw/zinc/68/78/43/1158687843.db2.gz FRPQLEWRXMAZMO-ZIAGYGMSSA-N 1 2 266.385 1.405 10 30 CDEELO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CCC)OCC ZINC001670676499 1158687844 /nfs/dbraw/zinc/68/78/44/1158687844.db2.gz FRPQLEWRXMAZMO-ZIAGYGMSSA-N 1 2 266.385 1.405 10 30 CDEELO CC(C)c1cnc(C[NH2+]CCN(C)C(=O)C#CC2CC2)o1 ZINC001691314580 1159012399 /nfs/dbraw/zinc/01/23/99/1159012399.db2.gz 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N#Cc1c(N)sc2c1CC[N@H+](Cc1ccno1)C2 ZINC001655001821 1171659119 /nfs/dbraw/zinc/65/91/19/1171659119.db2.gz YMZDEBJRTFJTKL-UHFFFAOYSA-N 1 2 260.322 1.748 10 30 CDEELO C=CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(CC)n2)C1 ZINC001661399228 1172383363 /nfs/dbraw/zinc/38/33/63/1172383363.db2.gz FTDKPGGQYORZGN-XYPYZODXSA-N 1 2 278.356 1.335 10 30 CDEELO CC(C)C#CC(=O)NC[C@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001662212809 1172507058 /nfs/dbraw/zinc/50/70/58/1172507058.db2.gz FZDUDEZJYRHILF-LBPRGKRZSA-N 1 2 289.379 1.806 10 30 CDEELO C=CCC(C)(C)C(=O)N(C)CC[NH2+]Cc1nncs1 ZINC001664214160 1172825732 /nfs/dbraw/zinc/82/57/32/1172825732.db2.gz QWJDAXRAWVENIG-UHFFFAOYSA-N 1 2 282.413 1.688 10 30 CDEELO C#CCCCC(=O)NC[C@H](C)[N@@H+](C)Cc1cc(OC)no1 ZINC001674916141 1174033295 /nfs/dbraw/zinc/03/32/95/1174033295.db2.gz DLAAYWUCSWNUJK-LBPRGKRZSA-N 1 2 293.367 1.423 10 30 CDEELO C#CCCCC(=O)NC[C@H](C)[N@H+](C)Cc1cc(OC)no1 ZINC001674916141 1174033301 /nfs/dbraw/zinc/03/33/01/1174033301.db2.gz DLAAYWUCSWNUJK-LBPRGKRZSA-N 1 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CDEELO C=CCCOCC(=O)NC1C[NH+](Cc2ccccc2C)C1 ZINC001665239928 1172967669 /nfs/dbraw/zinc/96/76/69/1172967669.db2.gz DVANXLSFJFSJNY-UHFFFAOYSA-N 1 2 288.391 1.888 10 30 CDEELO CC(=[NH+]Nc1cn[nH]c(=O)c1Cl)c1ccc(N)cc1 ZINC000007030760 170262825 /nfs/dbraw/zinc/26/28/25/170262825.db2.gz BVOQQFOJGKGLIE-FRKPEAEDSA-N 1 2 277.715 1.842 10 30 CDEELO C=CCCOCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660954225 413688557 /nfs/dbraw/zinc/68/85/57/413688557.db2.gz JWDYZNXJCRRDJY-NSHDSACASA-N 1 2 266.345 1.373 10 30 CDEELO C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661554076 414163559 /nfs/dbraw/zinc/16/35/59/414163559.db2.gz PDRPFGILARHIMJ-CHWSQXEVSA-N 1 2 266.385 1.568 10 30 CDEELO CCCN[C@@](C)(C#N)C[NH+]1CCC(OCC)CC1 ZINC000045176687 175323313 /nfs/dbraw/zinc/32/33/13/175323313.db2.gz KEFQOJKCFXYSIC-AWEZNQCLSA-N 1 2 253.390 1.769 10 30 CDEELO CC(C)N[C@@](C)(C#N)CCCC[NH+]1CCS(=O)CC1 ZINC000045315942 175357687 /nfs/dbraw/zinc/35/76/87/175357687.db2.gz FQUBXTBPKQFULE-CQSZACIVSA-N 1 2 285.457 1.501 10 30 CDEELO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000330147997 228049590 /nfs/dbraw/zinc/04/95/90/228049590.db2.gz ULFIXXLCBOGJJU-DGCLKSJQSA-N 1 2 278.356 1.296 10 30 CDEELO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCO[C@@H](C2CC2)C1 ZINC000330147997 228049593 /nfs/dbraw/zinc/04/95/93/228049593.db2.gz ULFIXXLCBOGJJU-DGCLKSJQSA-N 1 2 278.356 1.296 10 30 CDEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2(C(F)(F)F)CC2)C1 ZINC001666725888 1173179927 /nfs/dbraw/zinc/17/99/27/1173179927.db2.gz VKTLVHYMRVWXSW-SNVBAGLBSA-N 1 2 292.301 1.332 10 30 CDEELO C=CC[N@H+]1CCO[C@H](CNC(=O)C2(C(F)(F)F)CC2)C1 ZINC001666725888 1173179930 /nfs/dbraw/zinc/17/99/30/1173179930.db2.gz VKTLVHYMRVWXSW-SNVBAGLBSA-N 1 2 292.301 1.332 10 30 CDEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@](C)(C=C)CCOC)C1 ZINC001666713654 1173179320 /nfs/dbraw/zinc/17/93/20/1173179320.db2.gz PDYWGROKTVNZKL-ZBFHGGJFSA-N 1 2 296.411 1.218 10 30 CDEELO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@](C)(C=C)CCOC)C1 ZINC001666713654 1173179322 /nfs/dbraw/zinc/17/93/22/1173179322.db2.gz PDYWGROKTVNZKL-ZBFHGGJFSA-N 1 2 296.411 1.218 10 30 CDEELO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cncnc2)CC1 ZINC000155272356 261100142 /nfs/dbraw/zinc/10/01/42/261100142.db2.gz HTADRMDZWDOUMQ-KRWDZBQOSA-N 1 2 293.374 1.859 10 30 CDEELO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000491813938 262089032 /nfs/dbraw/zinc/08/90/32/262089032.db2.gz RAKBFLYJYJZVBV-SNVBAGLBSA-N 1 2 277.393 1.914 10 30 CDEELO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000491813938 262089034 /nfs/dbraw/zinc/08/90/34/262089034.db2.gz RAKBFLYJYJZVBV-SNVBAGLBSA-N 1 2 277.393 1.914 10 30 CDEELO C#CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC000364894968 262264002 /nfs/dbraw/zinc/26/40/02/262264002.db2.gz MCCUCKJPQVBVLE-CYBMUJFWSA-N 1 2 271.364 1.850 10 30 CDEELO CC#CC[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000307493261 262293293 /nfs/dbraw/zinc/29/32/93/262293293.db2.gz QLOPAQJKHQOWIV-QMMMGPOBSA-N 1 2 254.131 1.913 10 30 CDEELO C=C(Cl)C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917688 262353616 /nfs/dbraw/zinc/35/36/16/262353616.db2.gz DMKZBUXROOJVBJ-UHFFFAOYSA-N 1 2 268.792 1.680 10 30 CDEELO C=C(Cl)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917688 262353618 /nfs/dbraw/zinc/35/36/18/262353618.db2.gz DMKZBUXROOJVBJ-UHFFFAOYSA-N 1 2 268.792 1.680 10 30 CDEELO C[C@@H](C#N)CN(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272209525 263002709 /nfs/dbraw/zinc/00/27/09/263002709.db2.gz PWONCAGBEBCVRY-NSHDSACASA-N 1 2 269.308 1.499 10 30 CDEELO CC1(C#N)CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000272600572 263007267 /nfs/dbraw/zinc/00/72/67/263007267.db2.gz QTKPZHURZSDCSF-CYBMUJFWSA-N 1 2 257.337 1.839 10 30 CDEELO C[N@@H+]1CC[C@H](NCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000283934889 263085146 /nfs/dbraw/zinc/08/51/46/263085146.db2.gz GWMAZEOOLQDHAI-STQMWFEESA-N 1 2 251.280 1.823 10 30 CDEELO C[N@H+]1CC[C@H](NCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000283934889 263085147 /nfs/dbraw/zinc/08/51/47/263085147.db2.gz GWMAZEOOLQDHAI-STQMWFEESA-N 1 2 251.280 1.823 10 30 CDEELO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000330940167 264082488 /nfs/dbraw/zinc/08/24/88/264082488.db2.gz DISDEEKEXQRTNA-WCQYABFASA-N 1 2 290.367 1.221 10 30 CDEELO CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000330940167 264082489 /nfs/dbraw/zinc/08/24/89/264082489.db2.gz DISDEEKEXQRTNA-WCQYABFASA-N 1 2 290.367 1.221 10 30 CDEELO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cnn1 ZINC000330939739 264082938 /nfs/dbraw/zinc/08/29/38/264082938.db2.gz DCDIZLNXUUKCRB-CQSZACIVSA-N 1 2 292.383 1.446 10 30 CDEELO C=CCCn1cc(C[N@@H+](CC=C)[C@H](C)COC)nn1 ZINC000661239825 424070773 /nfs/dbraw/zinc/07/07/73/424070773.db2.gz OEIIMBNVTXCDOZ-CYBMUJFWSA-N 1 2 264.373 1.877 10 30 CDEELO C=CCCn1cc(C[N@H+](CC=C)[C@H](C)COC)nn1 ZINC000661239825 424070783 /nfs/dbraw/zinc/07/07/83/424070783.db2.gz OEIIMBNVTXCDOZ-CYBMUJFWSA-N 1 2 264.373 1.877 10 30 CDEELO C[C@@H](C#N)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000357811039 266369889 /nfs/dbraw/zinc/36/98/89/266369889.db2.gz CTYMAXOVPPYNTL-LBPRGKRZSA-N 1 2 268.320 1.707 10 30 CDEELO C=C(Br)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368455257 267171426 /nfs/dbraw/zinc/17/14/26/267171426.db2.gz NYPHFSVQCHSTSH-JTQLQIEISA-N 1 2 297.200 1.977 10 30 CDEELO C=C(Br)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368455257 267171429 /nfs/dbraw/zinc/17/14/29/267171429.db2.gz NYPHFSVQCHSTSH-JTQLQIEISA-N 1 2 297.200 1.977 10 30 CDEELO CCn1ncc(C[NH2+]Cc2ccc(C#N)c(C)c2)n1 ZINC000527736994 267261583 /nfs/dbraw/zinc/26/15/83/267261583.db2.gz UMXPUMXZSVEOSQ-UHFFFAOYSA-N 1 2 255.325 1.768 10 30 CDEELO C=CCCCCCN(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001667423520 1173265104 /nfs/dbraw/zinc/26/51/04/1173265104.db2.gz LQZUZVIBBQXVSE-UHFFFAOYSA-N 1 2 289.445 1.157 10 30 CDEELO C[C@@H]1CN(c2ccc(C[NH2+]CCC#N)cn2)C[C@H](C)O1 ZINC000575248724 335088928 /nfs/dbraw/zinc/08/89/28/335088928.db2.gz QSHQXWWAMPXSRP-BETUJISGSA-N 1 2 274.368 1.698 10 30 CDEELO Cn1ncc2c1nc(N1CCC(C)(C#N)CC1)[nH+]c2N ZINC000278404077 328225379 /nfs/dbraw/zinc/22/53/79/328225379.db2.gz NDPXNEZPGGTZNO-UHFFFAOYSA-N 1 2 271.328 1.076 10 30 CDEELO C=CCCC(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1nncn1C ZINC001673421487 1173853912 /nfs/dbraw/zinc/85/39/12/1173853912.db2.gz YZODWKNYBZTUTH-ZDUSSCGKSA-N 1 2 293.415 1.623 10 30 CDEELO C=CCCC(=O)N(C)CCC[N@H+](C)[C@@H](C)c1nncn1C ZINC001673421487 1173853918 /nfs/dbraw/zinc/85/39/18/1173853918.db2.gz YZODWKNYBZTUTH-ZDUSSCGKSA-N 1 2 293.415 1.623 10 30 CDEELO CCN(C[C@H](C)C#N)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000378374347 329047930 /nfs/dbraw/zinc/04/79/30/329047930.db2.gz ZNSGOEIOKSQWTC-CYBMUJFWSA-N 1 2 279.384 1.249 10 30 CDEELO C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000582720784 329130082 /nfs/dbraw/zinc/13/00/82/329130082.db2.gz GZZZAHALFNSHGS-AAEUAGOBSA-N 1 2 263.341 1.060 10 30 CDEELO C#CCCCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000179946309 329213817 /nfs/dbraw/zinc/21/38/17/329213817.db2.gz ATIMNODCSIEJIQ-CQSZACIVSA-N 1 2 264.369 1.113 10 30 CDEELO C=CCC[C@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000456772649 331202511 /nfs/dbraw/zinc/20/25/11/331202511.db2.gz XFXDWYKEHSFFBN-GFCCVEGCSA-N 1 2 286.335 1.324 10 30 CDEELO C=CCCCN(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488637868 332020525 /nfs/dbraw/zinc/02/05/25/332020525.db2.gz CVPMYWVQPVCBEB-GFCCVEGCSA-N 1 2 262.357 1.806 10 30 CDEELO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000566423072 334647589 /nfs/dbraw/zinc/64/75/89/334647589.db2.gz AQYHFZLEISOTOY-CABCVRRESA-N 1 2 293.411 1.640 10 30 CDEELO C=CC(C)(C)CC(=O)NCC[N@@H+](C)CC(=O)NC(C)(C)C ZINC001731771698 1159336962 /nfs/dbraw/zinc/33/69/62/1159336962.db2.gz FJSXEIQAHHVYBH-UHFFFAOYSA-N 1 2 297.443 1.551 10 30 CDEELO C=CC(C)(C)CC(=O)NCC[N@H+](C)CC(=O)NC(C)(C)C ZINC001731771698 1159336968 /nfs/dbraw/zinc/33/69/68/1159336968.db2.gz FJSXEIQAHHVYBH-UHFFFAOYSA-N 1 2 297.443 1.551 10 30 CDEELO CC(C)(C)C#CC(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001732097255 1159730016 /nfs/dbraw/zinc/73/00/16/1159730016.db2.gz CYFINHURWSXCHB-CQSZACIVSA-N 1 2 292.423 1.651 10 30 CDEELO C=CCCC(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001481720471 1159906376 /nfs/dbraw/zinc/90/63/76/1159906376.db2.gz NPLIPPCJFGCPAU-ZDUSSCGKSA-N 1 2 277.368 1.982 10 30 CDEELO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001481720471 1159906379 /nfs/dbraw/zinc/90/63/79/1159906379.db2.gz NPLIPPCJFGCPAU-ZDUSSCGKSA-N 1 2 277.368 1.982 10 30 CDEELO N#CCc1ccc(C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000669933964 482518703 /nfs/dbraw/zinc/51/87/03/482518703.db2.gz PFCDBLOMMKKPNE-INIZCTEOSA-N 1 2 284.359 1.933 10 30 CDEELO N#CCc1ccc(C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000669933964 482518708 /nfs/dbraw/zinc/51/87/08/482518708.db2.gz PFCDBLOMMKKPNE-INIZCTEOSA-N 1 2 284.359 1.933 10 30 CDEELO C=C(C)[C@H](CO)[N@@H+]1CCOc2cccc(F)c2C1 ZINC000669941320 482536073 /nfs/dbraw/zinc/53/60/73/482536073.db2.gz MJTNMMJZXHLRIG-ZDUSSCGKSA-N 1 2 251.301 1.957 10 30 CDEELO C=C(C)[C@H](CO)[N@H+]1CCOc2cccc(F)c2C1 ZINC000669941320 482536077 /nfs/dbraw/zinc/53/60/77/482536077.db2.gz MJTNMMJZXHLRIG-ZDUSSCGKSA-N 1 2 251.301 1.957 10 30 CDEELO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000677478405 482680612 /nfs/dbraw/zinc/68/06/12/482680612.db2.gz CHUVTDRJAOSLJC-OAHLLOKOSA-N 1 2 290.363 1.087 10 30 CDEELO CC(C)N[C@@](C#N)(C[N@H+](C)C1CCOCC1)C1CC1 ZINC000069078375 519735403 /nfs/dbraw/zinc/73/54/03/519735403.db2.gz SCERLZUNBNAAGY-HNNXBMFYSA-N 1 2 265.401 1.768 10 30 CDEELO CC(C)N[C@@](C#N)(C[N@@H+](C)C1CCOCC1)C1CC1 ZINC000069078375 519735406 /nfs/dbraw/zinc/73/54/06/519735406.db2.gz SCERLZUNBNAAGY-HNNXBMFYSA-N 1 2 265.401 1.768 10 30 CDEELO CCO[C@H]1CCC[N@H+](C[C@](C#N)(NC)C2CC2)C1 ZINC000069081161 520526374 /nfs/dbraw/zinc/52/63/74/520526374.db2.gz VHRYCRWHYCTQHC-KBPBESRZSA-N 1 2 251.374 1.379 10 30 CDEELO CCO[C@H]1CCC[N@@H+](C[C@](C#N)(NC)C2CC2)C1 ZINC000069081161 520526382 /nfs/dbraw/zinc/52/63/82/520526382.db2.gz VHRYCRWHYCTQHC-KBPBESRZSA-N 1 2 251.374 1.379 10 30 CDEELO CCC[NH2+][C@](C#N)(CN1CCOC[C@@H]1C)C1CC1 ZINC000069077894 520100009 /nfs/dbraw/zinc/10/00/09/520100009.db2.gz 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O=C(C#CC1CC1)N[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001713082383 1178351542 /nfs/dbraw/zinc/35/15/42/1178351542.db2.gz OLASCVJNVOMCRI-HNNXBMFYSA-N 1 2 287.338 1.325 10 30 CDEELO C=CCC(C)(C)C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001713840125 1178786840 /nfs/dbraw/zinc/78/68/40/1178786840.db2.gz JRRLFNFANGDTIQ-NSHDSACASA-N 1 2 254.374 1.424 10 30 CDEELO C=CC[NH2+]C[C@@](C)(NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001714162202 1178997030 /nfs/dbraw/zinc/99/70/30/1178997030.db2.gz BDRJDEJFHRHDBT-GXSJLCMTSA-N 1 2 282.281 1.947 10 30 CDEELO C=CC[NH2+]C[C@@](C)(NC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001714162202 1178997034 /nfs/dbraw/zinc/99/70/34/1178997034.db2.gz BDRJDEJFHRHDBT-GXSJLCMTSA-N 1 2 282.281 1.947 10 30 CDEELO C=CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc(F)cc2)C1 ZINC001714482157 1179163838 /nfs/dbraw/zinc/16/38/38/1179163838.db2.gz QMABFUDNMHSYFS-HNNXBMFYSA-N 1 2 292.354 1.371 10 30 CDEELO C=CC[N@H+]1CCO[C@@H](CNC(=O)Cc2ccc(F)cc2)C1 ZINC001714482157 1179163839 /nfs/dbraw/zinc/16/38/39/1179163839.db2.gz 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CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)c1ccco1 ZINC001716663231 1180348010 /nfs/dbraw/zinc/34/80/10/1180348010.db2.gz UKBYROBEYCOCJL-QWHCGFSZSA-N 1 2 260.337 1.597 10 30 CDEELO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](F)Cc1ccccc1 ZINC001716670038 1180354815 /nfs/dbraw/zinc/35/48/15/1180354815.db2.gz BKBIYJDGPYGSJU-HOTGVXAUSA-N 1 2 288.366 1.781 10 30 CDEELO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](F)Cc1ccccc1 ZINC001716670038 1180354817 /nfs/dbraw/zinc/35/48/17/1180354817.db2.gz BKBIYJDGPYGSJU-HOTGVXAUSA-N 1 2 288.366 1.781 10 30 CDEELO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)C(C)(C)C)[C@@H]1C ZINC001717861341 1180897047 /nfs/dbraw/zinc/89/70/47/1180897047.db2.gz JISZYPXJXNJMBL-RYUDHWBXSA-N 1 2 264.369 1.204 10 30 CDEELO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)C(C)(C)C)[C@@H]1C ZINC001717861341 1180897052 /nfs/dbraw/zinc/89/70/52/1180897052.db2.gz JISZYPXJXNJMBL-RYUDHWBXSA-N 1 2 264.369 1.204 10 30 CDEELO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1cc(C)ccc1F ZINC001723471577 1181572081 /nfs/dbraw/zinc/57/20/81/1181572081.db2.gz 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ZUFNGIJTURRSGR-DZGCQCFKSA-N 1 2 296.411 1.195 10 30 CDEELO Cc1nnc([C@H](C)[NH2+]C/C=C\CNC(=O)C#CC(C)C)o1 ZINC001732848878 1183157438 /nfs/dbraw/zinc/15/74/38/1183157438.db2.gz OXYMCYWWEULJIQ-FJOGCWAESA-N 1 2 290.367 1.360 10 30 CDEELO C=C1CC(C)(C(=O)N[C@H](C)C[NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001732970811 1183211019 /nfs/dbraw/zinc/21/10/19/1183211019.db2.gz SLXDWQVBRIBHIV-MNOVXSKESA-N 1 2 292.383 1.890 10 30 CDEELO CCC(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001733197831 1183327025 /nfs/dbraw/zinc/32/70/25/1183327025.db2.gz IMOLZOXOVOHBCQ-HNNXBMFYSA-N 1 2 256.349 1.639 10 30 CDEELO CCC(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001733197831 1183327030 /nfs/dbraw/zinc/32/70/30/1183327030.db2.gz IMOLZOXOVOHBCQ-HNNXBMFYSA-N 1 2 256.349 1.639 10 30 CDEELO C=CCOCC[NH+]1CC(N(C)C(=O)C[C@@H](C)SC)C1 ZINC001733304274 1183386694 /nfs/dbraw/zinc/38/66/94/1183386694.db2.gz JHNJNEKPVSLXJW-GFCCVEGCSA-N 1 2 286.441 1.473 10 30 CDEELO CC#CC[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC001733715646 1183506245 /nfs/dbraw/zinc/50/62/45/1183506245.db2.gz YGXBWOMUQCIBSR-SECBINFHSA-N 1 2 280.265 1.539 10 30 CDEELO CC#CC[NH2+]C1(CNC(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001733715646 1183506246 /nfs/dbraw/zinc/50/62/46/1183506246.db2.gz YGXBWOMUQCIBSR-SECBINFHSA-N 1 2 280.265 1.539 10 30 CDEELO C=CCOCC(=O)N[C@@H]1CC[N@H+](Cc2ccon2)[C@H](C)C1 ZINC001733890974 1183559978 /nfs/dbraw/zinc/55/99/78/1183559978.db2.gz CYVRUAXCTTXQEQ-CHWSQXEVSA-N 1 2 293.367 1.346 10 30 CDEELO C=CCOCC(=O)N[C@@H]1CC[N@@H+](Cc2ccon2)[C@H](C)C1 ZINC001733890974 1183559983 /nfs/dbraw/zinc/55/99/83/1183559983.db2.gz CYVRUAXCTTXQEQ-CHWSQXEVSA-N 1 2 293.367 1.346 10 30 CDEELO C=C[C@H](CC)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001734340853 1183739800 /nfs/dbraw/zinc/73/98/00/1183739800.db2.gz WVTBUYXVJRJIDP-WCQYABFASA-N 1 2 294.399 1.917 10 30 CDEELO C[C@@H]([NH2+]Cc1nc(C#N)cs1)C(=O)NCC(F)(F)F ZINC001771708732 1186840353 /nfs/dbraw/zinc/84/03/53/1186840353.db2.gz ZFAVTXQVRTXDHE-ZCFIWIBFSA-N 1 2 292.286 1.171 10 30 CDEELO C=CC[C@H](C(=O)OC)[NH+]1CCC(c2ccon2)CC1 ZINC000878994752 1166283978 /nfs/dbraw/zinc/28/39/78/1166283978.db2.gz ZDEINCJXYQCKPT-CYBMUJFWSA-N 1 2 264.325 1.972 10 30 CDEELO C=C[C@H](CC)CC(=O)N(C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001671162677 1166507188 /nfs/dbraw/zinc/50/71/88/1166507188.db2.gz OHNYVPOHPSPSFQ-CYBMUJFWSA-N 1 2 290.411 1.665 10 30 CDEELO N#Cc1cccc(OCC(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC000857984292 818026376 /nfs/dbraw/zinc/02/63/76/818026376.db2.gz BAHFVZUGFFIJJK-CYBMUJFWSA-N 1 2 282.303 1.395 10 30 CDEELO N#CC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCCCC1 ZINC000857983672 818062222 /nfs/dbraw/zinc/06/22/22/818062222.db2.gz BTGNZVLVUJRZTL-NSHDSACASA-N 1 2 258.325 1.918 10 30 CDEELO C#C[C@H]1CCC[N@@H+](Cn2cc3[nH]cccc-3c2=O)C1 ZINC000848495034 818506265 /nfs/dbraw/zinc/50/62/65/818506265.db2.gz XYFWVAIPRNFSLI-LBPRGKRZSA-N 1 2 255.321 1.340 10 30 CDEELO C#C[C@H]1CCC[N@H+](Cn2cc3[nH]cccc-3c2=O)C1 ZINC000848495034 818506275 /nfs/dbraw/zinc/50/62/75/818506275.db2.gz XYFWVAIPRNFSLI-LBPRGKRZSA-N 1 2 255.321 1.340 10 30 CDEELO CON(C)C(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000844473235 818525839 /nfs/dbraw/zinc/52/58/39/818525839.db2.gz WNCBLOGMPVYQNE-UHFFFAOYSA-N 1 2 259.309 1.284 10 30 CDEELO CON(C)C(=O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000844473235 818525853 /nfs/dbraw/zinc/52/58/53/818525853.db2.gz WNCBLOGMPVYQNE-UHFFFAOYSA-N 1 2 259.309 1.284 10 30 CDEELO CCn1nnc(C)c1CNc1[nH]c2ccc(C#N)cc2[nH+]1 ZINC000865296095 818549218 /nfs/dbraw/zinc/54/92/18/818549218.db2.gz QHBLSRMAOLGTTC-UHFFFAOYSA-N 1 2 281.323 1.967 10 30 CDEELO Cc1nonc1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844367806 818960425 /nfs/dbraw/zinc/96/04/25/818960425.db2.gz VKBWNTAMOIAKHZ-AWEZNQCLSA-N 1 2 272.308 1.415 10 30 CDEELO Cc1nonc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844367806 818960432 /nfs/dbraw/zinc/96/04/32/818960432.db2.gz VKBWNTAMOIAKHZ-AWEZNQCLSA-N 1 2 272.308 1.415 10 30 CDEELO C[C@H](O)CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852333907 818962971 /nfs/dbraw/zinc/96/29/71/818962971.db2.gz XUVDXWVKNBXHCO-ZFWWWQNUSA-N 1 2 259.353 1.710 10 30 CDEELO C[C@H](O)CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852333907 818962979 /nfs/dbraw/zinc/96/29/79/818962979.db2.gz XUVDXWVKNBXHCO-ZFWWWQNUSA-N 1 2 259.353 1.710 10 30 CDEELO C=CC[N@H+](C[C@H]1CC2(CCC2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000878241736 819085805 /nfs/dbraw/zinc/08/58/05/819085805.db2.gz JDRQCULELDCQIY-UONOGXRCSA-N 1 2 299.436 1.621 10 30 CDEELO C=CC[N@@H+](C[C@H]1CC2(CCC2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000878241736 819085809 /nfs/dbraw/zinc/08/58/09/819085809.db2.gz JDRQCULELDCQIY-UONOGXRCSA-N 1 2 299.436 1.621 10 30 CDEELO Cc1nnsc1[C@@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000930827590 819185844 /nfs/dbraw/zinc/18/58/44/819185844.db2.gz FSKKMAZHBZXUMX-JFGNBEQYSA-N 1 2 279.413 1.826 10 30 CDEELO Cc1nnsc1[C@@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000930827590 819185848 /nfs/dbraw/zinc/18/58/48/819185848.db2.gz FSKKMAZHBZXUMX-JFGNBEQYSA-N 1 2 279.413 1.826 10 30 CDEELO O=C1N=NCN1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783862118 819250377 /nfs/dbraw/zinc/25/03/77/819250377.db2.gz CCGABQAIVIGUBW-UHFFFAOYSA-N 1 2 260.282 1.113 10 30 CDEELO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000929429328 819281962 /nfs/dbraw/zinc/28/19/62/819281962.db2.gz LAQNOOOMKASATK-YPMHNXCESA-N 1 2 275.356 1.047 10 30 CDEELO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000929429328 819281970 /nfs/dbraw/zinc/28/19/70/819281970.db2.gz LAQNOOOMKASATK-YPMHNXCESA-N 1 2 275.356 1.047 10 30 CDEELO C=CCOCC[N@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934278363 819368853 /nfs/dbraw/zinc/36/88/53/819368853.db2.gz FYTDZLKVWQHUDF-NSHDSACASA-N 1 2 279.340 1.530 10 30 CDEELO C=CCOCC[N@@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934278363 819368859 /nfs/dbraw/zinc/36/88/59/819368859.db2.gz FYTDZLKVWQHUDF-NSHDSACASA-N 1 2 279.340 1.530 10 30 CDEELO N#CCc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000857979761 819846600 /nfs/dbraw/zinc/84/66/00/819846600.db2.gz FBEFZOSLZMNGHK-CYBMUJFWSA-N 1 2 266.304 1.824 10 30 CDEELO C#CC[N@@H+](CCCCC#N)CC(=O)OC(C)(C)C ZINC000852429476 819864941 /nfs/dbraw/zinc/86/49/41/819864941.db2.gz NMKQJMWGNJZUPQ-UHFFFAOYSA-N 1 2 250.342 1.957 10 30 CDEELO C#CC[N@H+](CCCCC#N)CC(=O)OC(C)(C)C ZINC000852429476 819864942 /nfs/dbraw/zinc/86/49/42/819864942.db2.gz NMKQJMWGNJZUPQ-UHFFFAOYSA-N 1 2 250.342 1.957 10 30 CDEELO CC[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cccc(C#N)c1O ZINC000926579328 820737356 /nfs/dbraw/zinc/73/73/56/820737356.db2.gz VIVRNAPMFHJKRC-ZWNOBZJWSA-N 1 2 273.336 1.441 10 30 CDEELO O=C1C=C(NNc2cccc(Cl)[nH+]2)[C@@H]2CCCN12 ZINC000793162505 820824979 /nfs/dbraw/zinc/82/49/79/820824979.db2.gz SPQJKPOECJSGBW-VIFPVBQESA-N 1 2 264.716 1.898 10 30 CDEELO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1c(C)nn(CC)c1C ZINC000879117864 820862772 /nfs/dbraw/zinc/86/27/72/820862772.db2.gz GUPLFNCPMLNRTG-CYBMUJFWSA-N 1 2 276.384 1.090 10 30 CDEELO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1c(C)nn(CC)c1C ZINC000879117864 820862776 /nfs/dbraw/zinc/86/27/76/820862776.db2.gz GUPLFNCPMLNRTG-CYBMUJFWSA-N 1 2 276.384 1.090 10 30 CDEELO C=CCOC[C@H]([NH2+]CC1(C)CCCC1)C(=O)OC ZINC000877495009 821035539 /nfs/dbraw/zinc/03/55/39/821035539.db2.gz RLBYTVGSJBELBS-LBPRGKRZSA-N 1 2 255.358 1.901 10 30 CDEELO C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927765829 821133656 /nfs/dbraw/zinc/13/36/56/821133656.db2.gz ZHHWYWWBAHPRJN-NEPJUHHUSA-N 1 2 295.408 1.412 10 30 CDEELO C#CCOCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000821881232 821339302 /nfs/dbraw/zinc/33/93/02/821339302.db2.gz HTCWSDGBYLJCSH-ZDUSSCGKSA-N 1 2 263.341 1.236 10 30 CDEELO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2nccs2)C1 ZINC000847031494 821392901 /nfs/dbraw/zinc/39/29/01/821392901.db2.gz QZFOXRUXQZOLAH-WDEREUQCSA-N 1 2 263.366 1.815 10 30 CDEELO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2nccs2)C1 ZINC000847031494 821392909 /nfs/dbraw/zinc/39/29/09/821392909.db2.gz QZFOXRUXQZOLAH-WDEREUQCSA-N 1 2 263.366 1.815 10 30 CDEELO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)COC ZINC001506029239 975091385 /nfs/dbraw/zinc/09/13/85/975091385.db2.gz DUMCSGZHBKOLPR-ZYHUDNBSSA-N 1 2 276.808 1.848 10 30 CDEELO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)COC ZINC001506029239 975091391 /nfs/dbraw/zinc/09/13/91/975091391.db2.gz DUMCSGZHBKOLPR-ZYHUDNBSSA-N 1 2 276.808 1.848 10 30 CDEELO CN(C)[C@@H](C(=O)Nc1cccc(CC#N)n1)c1c[nH+]cn1C ZINC000922152776 822395649 /nfs/dbraw/zinc/39/56/49/822395649.db2.gz ISKLZNOFVOBTTA-CQSZACIVSA-N 1 2 298.350 1.123 10 30 CDEELO C[C@H]([NH2+]CCCC(=O)N(C)C)c1cccc(C#N)c1O ZINC000866245757 822483066 /nfs/dbraw/zinc/48/30/66/822483066.db2.gz ADRSRRHYTUXNHI-NSHDSACASA-N 1 2 275.352 1.783 10 30 CDEELO C#C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)n2C)C1 ZINC000847030481 822485840 /nfs/dbraw/zinc/48/58/40/822485840.db2.gz NQTDZNVGIZCDEB-CYBMUJFWSA-N 1 2 281.359 1.779 10 30 CDEELO C#C[C@@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)n2C)C1 ZINC000847030481 822485849 /nfs/dbraw/zinc/48/58/49/822485849.db2.gz NQTDZNVGIZCDEB-CYBMUJFWSA-N 1 2 281.359 1.779 10 30 CDEELO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cccc(C#N)c1O ZINC000866313267 822494983 /nfs/dbraw/zinc/49/49/83/822494983.db2.gz YMNVMJUBUPHPIR-HZMBPMFUSA-N 1 2 286.335 1.382 10 30 CDEELO C#CCNC(=O)C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000775459996 822521973 /nfs/dbraw/zinc/52/19/73/822521973.db2.gz QUAWLVUHWXBMFU-SNVBAGLBSA-N 1 2 264.300 1.234 10 30 CDEELO CC[S@@](=O)CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866266369 822538418 /nfs/dbraw/zinc/53/84/18/822538418.db2.gz ZNGFPKCQINKHAY-MLCYQJTMSA-N 1 2 266.366 1.683 10 30 CDEELO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC001266307934 894320605 /nfs/dbraw/zinc/32/06/05/894320605.db2.gz NBORLBZAEBVMEV-ZIAGYGMSSA-N 1 2 295.427 1.304 10 30 CDEELO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC001266307934 894320622 /nfs/dbraw/zinc/32/06/22/894320622.db2.gz NBORLBZAEBVMEV-ZIAGYGMSSA-N 1 2 295.427 1.304 10 30 CDEELO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1OCC ZINC001267187313 897064709 /nfs/dbraw/zinc/06/47/09/897064709.db2.gz SQFOIBZHQGZPFH-GHMZBOCLSA-N 1 2 260.765 1.212 10 30 CDEELO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1OCC ZINC001267187313 897064716 /nfs/dbraw/zinc/06/47/16/897064716.db2.gz SQFOIBZHQGZPFH-GHMZBOCLSA-N 1 2 260.765 1.212 10 30 CDEELO C=CC[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC)C(=O)OCC ZINC001350619533 897323924 /nfs/dbraw/zinc/32/39/24/897323924.db2.gz GQFWMVPNGGKQSI-KXNHARMFSA-N 1 2 269.341 1.281 10 30 CDEELO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)OC ZINC001481027990 898554638 /nfs/dbraw/zinc/55/46/38/898554638.db2.gz HVIVSCMHWNMDPD-WDEREUQCSA-N 1 2 260.765 1.354 10 30 CDEELO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)OC ZINC001481027990 898554643 /nfs/dbraw/zinc/55/46/43/898554643.db2.gz HVIVSCMHWNMDPD-WDEREUQCSA-N 1 2 260.765 1.354 10 30 CDEELO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCO[C@@H](C)CC(C)C ZINC001267706690 899333545 /nfs/dbraw/zinc/33/35/45/899333545.db2.gz PKQCMGDRQBIACG-JYJNAYRXSA-N 1 2 292.423 1.746 10 30 CDEELO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCO[C@@H](C)CC(C)C ZINC001267706690 899333556 /nfs/dbraw/zinc/33/35/56/899333556.db2.gz PKQCMGDRQBIACG-JYJNAYRXSA-N 1 2 292.423 1.746 10 30 CDEELO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001267761541 899628540 /nfs/dbraw/zinc/62/85/40/899628540.db2.gz ILDYMCDYAYBNMR-CYBMUJFWSA-N 1 2 266.772 1.685 10 30 CDEELO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001267761541 899628546 /nfs/dbraw/zinc/62/85/46/899628546.db2.gz ILDYMCDYAYBNMR-CYBMUJFWSA-N 1 2 266.772 1.685 10 30 CDEELO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCCC ZINC001481376558 900512735 /nfs/dbraw/zinc/51/27/35/900512735.db2.gz JWNILOOQRNJRTD-OKILXGFUSA-N 1 2 293.411 1.154 10 30 CDEELO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCCC ZINC001481376558 900512744 /nfs/dbraw/zinc/51/27/44/900512744.db2.gz JWNILOOQRNJRTD-OKILXGFUSA-N 1 2 293.411 1.154 10 30 CDEELO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)C(F)(F)F ZINC001481677321 901778463 /nfs/dbraw/zinc/77/84/63/901778463.db2.gz ZIFTYADQKLNHGS-VWYCJHECSA-N 1 2 274.286 1.493 10 30 CDEELO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)C(F)(F)F 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C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@H](C)C(F)(F)F)C1 ZINC001482199266 903293565 /nfs/dbraw/zinc/29/35/65/903293565.db2.gz QMMJFQZLUHWVEW-WDEREUQCSA-N 1 2 294.317 1.578 10 30 CDEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)CCCC(F)(F)F)C1 ZINC001482200531 903329376 /nfs/dbraw/zinc/32/93/76/903329376.db2.gz TWJBMAVTRZYFRL-LLVKDONJSA-N 1 2 294.317 1.722 10 30 CDEELO C=CC[N@H+]1CCO[C@H](CNC(=O)CCCC(F)(F)F)C1 ZINC001482200531 903329387 /nfs/dbraw/zinc/32/93/87/903329387.db2.gz TWJBMAVTRZYFRL-LLVKDONJSA-N 1 2 294.317 1.722 10 30 CDEELO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001269206351 903551579 /nfs/dbraw/zinc/55/15/79/903551579.db2.gz VQOVBPGVUGOILY-KBPBESRZSA-N 1 2 266.385 1.261 10 30 CDEELO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001269206351 903551582 /nfs/dbraw/zinc/55/15/82/903551582.db2.gz VQOVBPGVUGOILY-KBPBESRZSA-N 1 2 266.385 1.261 10 30 CDEELO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001269837851 904139929 /nfs/dbraw/zinc/13/99/29/904139929.db2.gz 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MKCGVLPHQFFNGP-UHFFFAOYSA-N 1 2 284.350 1.978 10 30 CDEELO Cc1nnc(C[N@@H+](C)CCCN(C)C(=O)C#CC(C)C)o1 ZINC001484742412 916109244 /nfs/dbraw/zinc/10/92/44/916109244.db2.gz XOILQERGEFDRTR-UHFFFAOYSA-N 1 2 292.383 1.318 10 30 CDEELO Cc1nnc(C[N@H+](C)CCCN(C)C(=O)C#CC(C)C)o1 ZINC001484742412 916109255 /nfs/dbraw/zinc/10/92/55/916109255.db2.gz XOILQERGEFDRTR-UHFFFAOYSA-N 1 2 292.383 1.318 10 30 CDEELO C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)C=C(C)C)CO2 ZINC001484788913 916166638 /nfs/dbraw/zinc/16/66/38/916166638.db2.gz IDSJJSKPFWDOJZ-CQSZACIVSA-N 1 2 294.395 1.115 10 30 CDEELO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC001192234661 922970870 /nfs/dbraw/zinc/97/08/70/922970870.db2.gz SXVCYJICARTCLK-OLZOCXBDSA-N 1 2 273.373 1.212 10 30 CDEELO C=CCC[C@@H](O)C[N@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC001192234661 922970875 /nfs/dbraw/zinc/97/08/75/922970875.db2.gz SXVCYJICARTCLK-OLZOCXBDSA-N 1 2 273.373 1.212 10 30 CDEELO C[C@H]1C[N@H+](CCNC(=O)N[C@H]2CC[C@@H](CC#N)C2)CCO1 ZINC000838116426 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C=CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001488657826 926652026 /nfs/dbraw/zinc/65/20/26/926652026.db2.gz XRVHOSLDFLVEHO-AWEZNQCLSA-N 1 2 293.411 1.108 10 30 CDEELO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001490530713 927199340 /nfs/dbraw/zinc/19/93/40/927199340.db2.gz IHRIKGZULDJFDF-ZBFHGGJFSA-N 1 2 281.359 1.388 10 30 CDEELO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001490530713 927199346 /nfs/dbraw/zinc/19/93/46/927199346.db2.gz IHRIKGZULDJFDF-ZBFHGGJFSA-N 1 2 281.359 1.388 10 30 CDEELO C#CCCCC(=O)NC/C=C\C[NH2+]Cc1ncc(C)cn1 ZINC001273980939 930367116 /nfs/dbraw/zinc/36/71/16/930367116.db2.gz BWPWDKTTXIBGHG-SREVYHEPSA-N 1 2 286.379 1.351 10 30 CDEELO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(COC)no2)C1 ZINC001116542337 937455088 /nfs/dbraw/zinc/45/50/88/937455088.db2.gz RMIUZMYCFRMXTL-WDEREUQCSA-N 1 2 267.329 1.554 10 30 CDEELO C=CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc(COC)no2)C1 ZINC001116542337 937455090 /nfs/dbraw/zinc/45/50/90/937455090.db2.gz 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/nfs/dbraw/zinc/89/50/05/940895005.db2.gz VHXOHWBDNOAANZ-CYBMUJFWSA-N 1 2 274.349 1.575 10 30 CDEELO C[N@H+](Cc1cnns1)C[C@@H](O)c1cccc(C#N)c1 ZINC000402353452 940895006 /nfs/dbraw/zinc/89/50/06/940895006.db2.gz VHXOHWBDNOAANZ-CYBMUJFWSA-N 1 2 274.349 1.575 10 30 CDEELO CCCCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001276801972 941308200 /nfs/dbraw/zinc/30/82/00/941308200.db2.gz VKNXXFLHCBEODW-HUUCEWRRSA-N 1 2 296.411 1.032 10 30 CDEELO CCCCO[C@H](C)C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001276801972 941308203 /nfs/dbraw/zinc/30/82/03/941308203.db2.gz VKNXXFLHCBEODW-HUUCEWRRSA-N 1 2 296.411 1.032 10 30 CDEELO C=CCC1(C(=O)NC[C@H]2CC[N@H+]2CC#CC)CCOCC1 ZINC001276964900 941744382 /nfs/dbraw/zinc/74/43/82/941744382.db2.gz ZCBFWJZNVFMWJP-OAHLLOKOSA-N 1 2 290.407 1.573 10 30 CDEELO C=CCC1(C(=O)NC[C@H]2CC[N@@H+]2CC#CC)CCOCC1 ZINC001276964900 941744384 /nfs/dbraw/zinc/74/43/84/941744384.db2.gz ZCBFWJZNVFMWJP-OAHLLOKOSA-N 1 2 290.407 1.573 10 30 CDEELO C=CCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1nc(CC)no1 ZINC001283583298 942939504 /nfs/dbraw/zinc/93/95/04/942939504.db2.gz UOQDMNQQFIPPMX-LLVKDONJSA-N 1 2 280.372 1.535 10 30 CDEELO C=C(C)CCC(=O)NCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001284539248 943203409 /nfs/dbraw/zinc/20/34/09/943203409.db2.gz KCVFVJPDZVTADU-UHFFFAOYSA-N 1 2 292.383 1.273 10 30 CDEELO C=C(C)CCC(=O)NCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001284539248 943203417 /nfs/dbraw/zinc/20/34/17/943203417.db2.gz KCVFVJPDZVTADU-UHFFFAOYSA-N 1 2 292.383 1.273 10 30 CDEELO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H](O)C(C)C)CC1 ZINC001284908559 943286462 /nfs/dbraw/zinc/28/64/62/943286462.db2.gz GUZVNYASUFPBNS-CYBMUJFWSA-N 1 2 286.803 1.504 10 30 CDEELO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H](O)C(C)C)CC1 ZINC001284908559 943286466 /nfs/dbraw/zinc/28/64/66/943286466.db2.gz GUZVNYASUFPBNS-CYBMUJFWSA-N 1 2 286.803 1.504 10 30 CDEELO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](CC)N2CCCC2=O)C1 ZINC001277699263 943356187 /nfs/dbraw/zinc/35/61/87/943356187.db2.gz AMHHAZYWNANPAQ-CQSZACIVSA-N 1 2 293.411 1.106 10 30 CDEELO COc1nscc1C[N@H+](C)CCCNC(=O)[C@H](C)C#N ZINC001264971395 944185744 /nfs/dbraw/zinc/18/57/44/944185744.db2.gz RJLOXQJSCLQNQG-SNVBAGLBSA-N 1 2 296.396 1.249 10 30 CDEELO COc1nscc1C[N@@H+](C)CCCNC(=O)[C@H](C)C#N ZINC001264971395 944185748 /nfs/dbraw/zinc/18/57/48/944185748.db2.gz RJLOXQJSCLQNQG-SNVBAGLBSA-N 1 2 296.396 1.249 10 30 CDEELO C#CCN1CC[NH+](CCNC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001265265351 944297409 /nfs/dbraw/zinc/29/74/09/944297409.db2.gz WJYOMXXNLYYSNB-MRXNPFEDSA-N 1 2 293.455 1.426 10 30 CDEELO CC#CCCCC(=O)NC[C@@H](C)[NH2+]Cc1csnn1 ZINC001265810569 944517216 /nfs/dbraw/zinc/51/72/16/944517216.db2.gz BWJVVVUFXMFYCM-LLVKDONJSA-N 1 2 280.397 1.326 10 30 CDEELO C[C@@H](C#N)C(=O)NCCC[N@H+](C)C/C(Cl)=C\Cl ZINC001265814670 944519899 /nfs/dbraw/zinc/51/98/99/944519899.db2.gz CFICRULPAPOTNA-CMWXKVOJSA-N 1 2 278.183 1.903 10 30 CDEELO C[C@@H](C#N)C(=O)NCCC[N@@H+](C)C/C(Cl)=C\Cl ZINC001265814670 944519901 /nfs/dbraw/zinc/51/99/01/944519901.db2.gz CFICRULPAPOTNA-CMWXKVOJSA-N 1 2 278.183 1.903 10 30 CDEELO C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C[C@@H]1C ZINC001278398141 947555367 /nfs/dbraw/zinc/55/53/67/947555367.db2.gz LGNVSXRQZONXBW-RYUDHWBXSA-N 1 2 294.424 1.973 10 30 CDEELO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CSCCC ZINC001480090108 971572643 /nfs/dbraw/zinc/57/26/43/971572643.db2.gz KJHWIQJUCMMPNT-BETUJISGSA-N 1 2 268.426 1.991 10 30 CDEELO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CSCCC ZINC001480090108 971572650 /nfs/dbraw/zinc/57/26/50/971572650.db2.gz KJHWIQJUCMMPNT-BETUJISGSA-N 1 2 268.426 1.991 10 30 CDEELO C[S@@](=O)CC[NH+]1CCN(c2cc(F)ccc2C#N)CC1 ZINC001363147575 971924612 /nfs/dbraw/zinc/92/46/12/971924612.db2.gz FNGPNUMKEPCNGG-HXUWFJFHSA-N 1 2 295.383 1.198 10 30 CDEELO C=CCO[C@@H]1CC[N@@H+](Cc2cnc(Cl)n2C)C1 ZINC001327195745 954764962 /nfs/dbraw/zinc/76/49/62/954764962.db2.gz SPCNRBCWABZTKI-LLVKDONJSA-N 1 2 255.749 1.850 10 30 CDEELO C=CCO[C@@H]1CC[N@H+](Cc2cnc(Cl)n2C)C1 ZINC001327195745 954764972 /nfs/dbraw/zinc/76/49/72/954764972.db2.gz SPCNRBCWABZTKI-LLVKDONJSA-N 1 2 255.749 1.850 10 30 CDEELO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC(C)(C)C)O2 ZINC001327344438 954836603 /nfs/dbraw/zinc/83/66/03/954836603.db2.gz OVWWBIDWBWKNLE-ZDUSSCGKSA-N 1 2 280.412 1.958 10 30 CDEELO C=C(C)CCC(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)[C@@H](C)C1 ZINC001327867160 955087452 /nfs/dbraw/zinc/08/74/52/955087452.db2.gz HHBUSYAPEIEJCV-AAEUAGOBSA-N 1 2 292.383 1.671 10 30 CDEELO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001491805722 955429308 /nfs/dbraw/zinc/42/93/08/955429308.db2.gz VPMZXVIMGZJILN-VHSXEESVSA-N 1 2 282.281 1.901 10 30 CDEELO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001491805722 955429321 /nfs/dbraw/zinc/42/93/21/955429321.db2.gz VPMZXVIMGZJILN-VHSXEESVSA-N 1 2 282.281 1.901 10 30 CDEELO C#CCCCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cnsn1 ZINC001329015493 955625169 /nfs/dbraw/zinc/62/51/69/955625169.db2.gz QGQFMQMCTGAXDN-NWDGAFQWSA-N 1 2 294.424 1.715 10 30 CDEELO Cc1conc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C#N 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CC(C)N(CC[N@@H+](C)Cc1cncs1)C(=O)[C@@H](C)C#N ZINC001423560823 956858095 /nfs/dbraw/zinc/85/80/95/956858095.db2.gz UMRAMCBCTBGGEM-LBPRGKRZSA-N 1 2 294.424 1.972 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001494410062 972227241 /nfs/dbraw/zinc/22/72/41/972227241.db2.gz DRUASQZTYYHLOV-LLVKDONJSA-N 1 2 289.379 1.609 10 30 CDEELO CC(C)C#CC(=O)NCCC[N@H+](C)Cc1ccon1 ZINC001316821471 956975213 /nfs/dbraw/zinc/97/52/13/956975213.db2.gz DXOHMDANEKTZMX-UHFFFAOYSA-N 1 2 263.341 1.272 10 30 CDEELO CC(C)C#CC(=O)NCCC[N@@H+](C)Cc1ccon1 ZINC001316821471 956975221 /nfs/dbraw/zinc/97/52/21/956975221.db2.gz DXOHMDANEKTZMX-UHFFFAOYSA-N 1 2 263.341 1.272 10 30 CDEELO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COCCC)[C@H]1C ZINC001316777694 957010092 /nfs/dbraw/zinc/01/00/92/957010092.db2.gz SEYGLGQDTYIGBT-NEPJUHHUSA-N 1 2 274.792 1.745 10 30 CDEELO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COCCC)[C@H]1C ZINC001316777694 957010106 /nfs/dbraw/zinc/01/01/06/957010106.db2.gz SEYGLGQDTYIGBT-NEPJUHHUSA-N 1 2 274.792 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C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001272851256 919911792 /nfs/dbraw/zinc/91/17/92/919911792.db2.gz OWUJWQULBIELED-HNNXBMFYSA-N 1 2 292.379 1.985 10 30 CDEELO C[C@H](C#N)CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921881703 921015237 /nfs/dbraw/zinc/01/52/37/921015237.db2.gz UJBDMJLXHDVMTK-SECBINFHSA-N 1 2 281.385 1.164 10 30 CDEELO C=CCC[C@H](O)C[N@@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC001192234663 922969805 /nfs/dbraw/zinc/96/98/05/922969805.db2.gz SXVCYJICARTCLK-STQMWFEESA-N 1 2 273.373 1.212 10 30 CDEELO C=CCC[C@H](O)C[N@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC001192234663 922969813 /nfs/dbraw/zinc/96/98/13/922969813.db2.gz SXVCYJICARTCLK-STQMWFEESA-N 1 2 273.373 1.212 10 30 CDEELO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)OCC)O2 ZINC001273645021 923219388 /nfs/dbraw/zinc/21/93/88/923219388.db2.gz DPWLKDJFOBTYSN-KGLIPLIRSA-N 1 2 296.411 1.337 10 30 CDEELO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccc(OCC#N)c1 ZINC001141762113 936936088 /nfs/dbraw/zinc/93/60/88/936936088.db2.gz 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928929283 /nfs/dbraw/zinc/92/92/83/928929283.db2.gz IBYSFTSKXRJYHS-SNVBAGLBSA-N 1 2 256.309 1.662 10 30 CDEELO C[C@H]1CC(=O)N(C[N@@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000863336480 929538390 /nfs/dbraw/zinc/53/83/90/929538390.db2.gz RGBONHIZPJKUSW-ZDUSSCGKSA-N 1 2 283.375 1.937 10 30 CDEELO C[C@H]1CC(=O)N(C[N@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000863336480 929538395 /nfs/dbraw/zinc/53/83/95/929538395.db2.gz RGBONHIZPJKUSW-ZDUSSCGKSA-N 1 2 283.375 1.937 10 30 CDEELO C#CCCCC(=O)NC/C=C\C[NH2+]Cc1cc(C)on1 ZINC001273983733 930388440 /nfs/dbraw/zinc/38/84/40/930388440.db2.gz NLIASEPRKTZUFL-SREVYHEPSA-N 1 2 275.352 1.549 10 30 CDEELO C#CCC[C@@H](O)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000822679767 931191523 /nfs/dbraw/zinc/19/15/23/931191523.db2.gz NVBGCBLWXPDXBW-ZIAGYGMSSA-N 1 2 277.368 1.361 10 30 CDEELO COC(=O)c1conc1C(C)(C)[NH2+]CCO[C@H](C)C#N ZINC000823681128 931345865 /nfs/dbraw/zinc/34/58/65/931345865.db2.gz UBSXZLZDBJSXDS-SECBINFHSA-N 1 2 281.312 1.215 10 30 CDEELO 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C#CC[NH+]1CCN(c2nnc(CC)n2C[C@H]2C[C@@H]2C)CC1 ZINC001690125249 1175381712 /nfs/dbraw/zinc/38/17/12/1175381712.db2.gz DHVQEMGADVRULR-UONOGXRCSA-N 1 2 287.411 1.252 10 30 CDEELO C#C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000934513111 617615842 /nfs/dbraw/zinc/61/58/42/617615842.db2.gz IJQVECWESJUKPU-HNNXBMFYSA-N 1 2 267.332 1.984 10 30 CDEELO C#C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000934513111 617615845 /nfs/dbraw/zinc/61/58/45/617615845.db2.gz IJQVECWESJUKPU-HNNXBMFYSA-N 1 2 267.332 1.984 10 30 CDEELO C#CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)C(=O)OC ZINC000877583867 618693080 /nfs/dbraw/zinc/69/30/80/618693080.db2.gz UZXGVCWBOSCTKQ-RWMBFGLXSA-N 1 2 267.369 1.735 10 30 CDEELO N#CCC(=O)N1CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000895067492 619254952 /nfs/dbraw/zinc/25/49/52/619254952.db2.gz VPLDUDYUGYKRNY-UHFFFAOYSA-N 1 2 295.346 1.188 10 30 CDEELO C#CC1(O)CC[NH+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000895381230 619618520 /nfs/dbraw/zinc/61/85/20/619618520.db2.gz ZYQRQUYMKJKOOR-UHFFFAOYSA-N 1 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C[C@H]1C[N@@H+](Cc2cc(C#N)ccn2)CC2(CCOCC2)O1 ZINC001363235538 972006757 /nfs/dbraw/zinc/00/67/57/972006757.db2.gz WFEMNMGZWNHGOQ-ZDUSSCGKSA-N 1 2 287.363 1.723 10 30 CDEELO C#CC[N@H+]1CCCN(C(=O)[C@H]2CCCCCC(=O)C2)CC1 ZINC001293716124 954404766 /nfs/dbraw/zinc/40/47/66/954404766.db2.gz RRLGYNZSFVPCQO-HNNXBMFYSA-N 1 2 290.407 1.693 10 30 CDEELO C#CC[N@@H+]1CCCN(C(=O)[C@H]2CCCCCC(=O)C2)CC1 ZINC001293716124 954404770 /nfs/dbraw/zinc/40/47/70/954404770.db2.gz RRLGYNZSFVPCQO-HNNXBMFYSA-N 1 2 290.407 1.693 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@@H]1COCC[N@H+]1CCC[C@H](C)O ZINC001326648589 954473610 /nfs/dbraw/zinc/47/36/10/954473610.db2.gz VRBMFTQSBKSTTG-UONOGXRCSA-N 1 2 298.427 1.177 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@@H]1COCC[N@@H+]1CCC[C@H](C)O ZINC001326648589 954473622 /nfs/dbraw/zinc/47/36/22/954473622.db2.gz VRBMFTQSBKSTTG-UONOGXRCSA-N 1 2 298.427 1.177 10 30 CDEELO C[C@@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1nnnn1C ZINC001364523495 954738377 /nfs/dbraw/zinc/73/83/77/954738377.db2.gz YOOWVESSVXVJMO-MRVPVSSYSA-N 1 2 276.731 1.586 10 30 CDEELO C#C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Br)cc1 ZINC001335478483 954772586 /nfs/dbraw/zinc/77/25/86/954772586.db2.gz TYFIIBJVMPIHEE-NSHDSACASA-N 1 2 283.125 1.990 10 30 CDEELO C=CC(C)(C)C(=O)N[C@H](CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001297473723 955035423 /nfs/dbraw/zinc/03/54/23/955035423.db2.gz QNPQQUXEJOODFT-LLVKDONJSA-N 1 2 292.383 1.175 10 30 CDEELO C[C@@H](C(=O)NCc1ccc(CC#N)cc1)n1cc[nH+]c1 ZINC001328568605 955349529 /nfs/dbraw/zinc/34/95/29/955349529.db2.gz KXRPFSAUEUQQNO-LBPRGKRZSA-N 1 2 268.320 1.827 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)C2CCCCC2)C1 ZINC001329638804 956037978 /nfs/dbraw/zinc/03/79/78/956037978.db2.gz RUGKWDLSZOUXMI-UHFFFAOYSA-N 1 2 280.412 1.696 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)C[C@H]2C=CCC2)C1 ZINC001329638444 956040268 /nfs/dbraw/zinc/04/02/68/956040268.db2.gz NFWSZFBEGLEENB-AWEZNQCLSA-N 1 2 278.396 1.472 10 30 CDEELO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COC(C)C)[C@H]1C ZINC001365889456 956422610 /nfs/dbraw/zinc/42/26/10/956422610.db2.gz MJXMNPZWTRNGKP-NEPJUHHUSA-N 1 2 274.792 1.743 10 30 CDEELO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COC(C)C)[C@H]1C ZINC001365889456 956422617 /nfs/dbraw/zinc/42/26/17/956422617.db2.gz MJXMNPZWTRNGKP-NEPJUHHUSA-N 1 2 274.792 1.743 10 30 CDEELO Cc1ccncc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001423081946 956571793 /nfs/dbraw/zinc/57/17/93/956571793.db2.gz ZORBYOJSSWGOJU-JSGCOSHPSA-N 1 2 272.352 1.240 10 30 CDEELO Cc1ccncc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001423081946 956571796 /nfs/dbraw/zinc/57/17/96/956571796.db2.gz ZORBYOJSSWGOJU-JSGCOSHPSA-N 1 2 272.352 1.240 10 30 CDEELO Cc1ccncc1C[N@H+]1CC[C@H]1CNC(=O)[C@H](C)C#N ZINC001423081953 956573706 /nfs/dbraw/zinc/57/37/06/956573706.db2.gz ZORBYOJSSWGOJU-OCCSQVGLSA-N 1 2 272.352 1.240 10 30 CDEELO Cc1ccncc1C[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)C#N ZINC001423081953 956573715 /nfs/dbraw/zinc/57/37/15/956573715.db2.gz ZORBYOJSSWGOJU-OCCSQVGLSA-N 1 2 272.352 1.240 10 30 CDEELO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc2c([nH]1)CCC2 ZINC001366579902 956989091 /nfs/dbraw/zinc/98/90/91/956989091.db2.gz OGLGPQWJNCDHQB-UHFFFAOYSA-N 1 2 281.787 1.918 10 30 CDEELO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc2c([nH]1)CCC2 ZINC001366579902 956989103 /nfs/dbraw/zinc/98/91/03/956989103.db2.gz OGLGPQWJNCDHQB-UHFFFAOYSA-N 1 2 281.787 1.918 10 30 CDEELO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001316984871 957180440 /nfs/dbraw/zinc/18/04/40/957180440.db2.gz FJKDNOSQUQCZDB-OAHLLOKOSA-N 1 2 288.395 1.832 10 30 CDEELO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001316984871 957180445 /nfs/dbraw/zinc/18/04/45/957180445.db2.gz FJKDNOSQUQCZDB-OAHLLOKOSA-N 1 2 288.395 1.832 10 30 CDEELO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cnoc1C ZINC001317460946 957491695 /nfs/dbraw/zinc/49/16/95/957491695.db2.gz DDKMZNUBAUTYBE-KGLIPLIRSA-N 1 2 293.367 1.122 10 30 CDEELO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)Cc1cnoc1C ZINC001317460946 957491698 /nfs/dbraw/zinc/49/16/98/957491698.db2.gz DDKMZNUBAUTYBE-KGLIPLIRSA-N 1 2 293.367 1.122 10 30 CDEELO C#CCC[N@H+](CC)CCNC(=O)C(F)C(F)(F)F ZINC001317478723 957501668 /nfs/dbraw/zinc/50/16/68/957501668.db2.gz UMZOOUGAGWHMCT-VIFPVBQESA-N 1 2 268.254 1.348 10 30 CDEELO C#CCC[N@@H+](CC)CCNC(=O)C(F)C(F)(F)F ZINC001317478723 957501670 /nfs/dbraw/zinc/50/16/70/957501670.db2.gz UMZOOUGAGWHMCT-VIFPVBQESA-N 1 2 268.254 1.348 10 30 CDEELO C#CCC[N@H+](CC)CCNC(=O)[C@H](F)C(F)(F)F ZINC001317478723 957501674 /nfs/dbraw/zinc/50/16/74/957501674.db2.gz UMZOOUGAGWHMCT-VIFPVBQESA-N 1 2 268.254 1.348 10 30 CDEELO C#CCC[N@@H+](CC)CCNC(=O)[C@H](F)C(F)(F)F ZINC001317478723 957501679 /nfs/dbraw/zinc/50/16/79/957501679.db2.gz UMZOOUGAGWHMCT-VIFPVBQESA-N 1 2 268.254 1.348 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)C(C)(C)CC(C)C)C1 ZINC001318077704 957903450 /nfs/dbraw/zinc/90/34/50/957903450.db2.gz JMAJZNSBKVCEMD-UHFFFAOYSA-N 1 2 250.386 1.882 10 30 CDEELO C[C@@H](C#N)C(=O)N[C@@H](C)C1C[NH+](Cc2cncc(F)c2)C1 ZINC001369072066 959439619 /nfs/dbraw/zinc/43/96/19/959439619.db2.gz FHLWESCBMWPJQQ-QWRGUYRKSA-N 1 2 290.342 1.317 10 30 CDEELO Cc1cnc(C[NH2+]C/C=C/CNC(=O)C#CC(C)(C)C)o1 ZINC001321050727 959555835 /nfs/dbraw/zinc/55/58/35/959555835.db2.gz GSKKZNQDNWUMSI-AATRIKPKSA-N 1 2 289.379 1.795 10 30 CDEELO C=CCO[C@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC001337680228 961359230 /nfs/dbraw/zinc/35/92/30/961359230.db2.gz UVZOQJOKUHNTKB-ZDUSSCGKSA-N 1 2 278.356 1.260 10 30 CDEELO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+]1[C@H](CC)C(N)=O ZINC001569368038 1169806861 /nfs/dbraw/zinc/80/68/61/1169806861.db2.gz STSLNZHCMPWCMW-VXGBXAGGSA-N 1 2 281.400 1.043 10 30 CDEELO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@@H+]1[C@H](CC)C(N)=O ZINC001569368038 1169806876 /nfs/dbraw/zinc/80/68/76/1169806876.db2.gz STSLNZHCMPWCMW-VXGBXAGGSA-N 1 2 281.400 1.043 10 30 CDEELO C=CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nccs2)C1 ZINC001342227090 963679052 /nfs/dbraw/zinc/67/90/52/963679052.db2.gz AEVQAZMXLVYWBI-GHMZBOCLSA-N 1 2 281.381 1.747 10 30 CDEELO C=CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2nccs2)C1 ZINC001342227090 963679055 /nfs/dbraw/zinc/67/90/55/963679055.db2.gz AEVQAZMXLVYWBI-GHMZBOCLSA-N 1 2 281.381 1.747 10 30 CDEELO C=CCn1c(N(CC)CC)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001342387087 963728209 /nfs/dbraw/zinc/72/82/09/963728209.db2.gz YCKNOYRGYOFTHP-SWLSCSKDSA-N 1 2 293.415 1.222 10 30 CDEELO C=CCn1c(N(CC)CC)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001342387087 963728216 /nfs/dbraw/zinc/72/82/16/963728216.db2.gz YCKNOYRGYOFTHP-SWLSCSKDSA-N 1 2 293.415 1.222 10 30 CDEELO CC[C@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1nc(C(C)C)no1 ZINC001443898362 965657019 /nfs/dbraw/zinc/65/70/19/965657019.db2.gz MJTXYDDYXJGEBD-GHMZBOCLSA-N 1 2 293.371 1.337 10 30 CDEELO Cc1[nH+]c[nH]c1CNC(=O)C(=O)C=Cc1ccc(F)cc1 ZINC001445162443 966122244 /nfs/dbraw/zinc/12/22/44/966122244.db2.gz CSOJFEXEOYDWTG-QPJJXVBHSA-N 1 2 287.294 1.756 10 30 CDEELO Cc1nc(F)ccc1C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC001350329984 966634902 /nfs/dbraw/zinc/63/49/02/966634902.db2.gz PVZVXUPKKJXHLJ-VXGBXAGGSA-N 1 2 276.359 1.947 10 30 CDEELO Cc1nc(F)ccc1C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC001350329983 966636037 /nfs/dbraw/zinc/63/60/37/966636037.db2.gz PVZVXUPKKJXHLJ-TXEJJXNPSA-N 1 2 276.359 1.947 10 30 CDEELO Cc1nc(F)ccc1C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC001350329983 966636039 /nfs/dbraw/zinc/63/60/39/966636039.db2.gz PVZVXUPKKJXHLJ-TXEJJXNPSA-N 1 2 276.359 1.947 10 30 CDEELO N#CC1(CC(=O)NCCCCn2cc[nH+]c2)CCOCC1 ZINC001350704724 966742660 /nfs/dbraw/zinc/74/26/60/966742660.db2.gz CLLPFAHPZLPFBI-UHFFFAOYSA-N 1 2 290.367 1.490 10 30 CDEELO C=C[C@H](COC)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001448099081 966995106 /nfs/dbraw/zinc/99/51/06/966995106.db2.gz KZMSRFAHLUACIM-MGPQQGTHSA-N 1 2 284.400 1.193 10 30 CDEELO C=C[C@H](COC)NC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001448099081 966995109 /nfs/dbraw/zinc/99/51/09/966995109.db2.gz KZMSRFAHLUACIM-MGPQQGTHSA-N 1 2 284.400 1.193 10 30 CDEELO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001569502395 1169903540 /nfs/dbraw/zinc/90/35/40/1169903540.db2.gz CNVFGKWCJYUIAL-LSDHHAIUSA-N 1 2 278.396 1.378 10 30 CDEELO N#CCSCC(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001353184485 967757416 /nfs/dbraw/zinc/75/74/16/967757416.db2.gz ASXZDAJWBUWHLT-UHFFFAOYSA-N 1 2 278.381 1.448 10 30 CDEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001456360866 968947468 /nfs/dbraw/zinc/94/74/68/968947468.db2.gz GGWZMEJFZXEEEC-JSGCOSHPSA-N 1 2 293.367 1.334 10 30 CDEELO C=CCCC(=O)N(C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001355633505 969233381 /nfs/dbraw/zinc/23/33/81/969233381.db2.gz XMXWAJBWJBFCCD-LBPRGKRZSA-N 1 2 292.383 1.129 10 30 CDEELO C=CCCC(=O)N(C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001355633505 969233388 /nfs/dbraw/zinc/23/33/88/969233388.db2.gz XMXWAJBWJBFCCD-LBPRGKRZSA-N 1 2 292.383 1.129 10 30 CDEELO C=CCCC(=O)N[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001533660653 969449097 /nfs/dbraw/zinc/44/90/97/969449097.db2.gz RLVPXYISTWMWHM-IJLUTSLNSA-N 1 2 290.367 1.100 10 30 CDEELO C=CCCC(=O)N[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001533660653 969449101 /nfs/dbraw/zinc/44/91/01/969449101.db2.gz RLVPXYISTWMWHM-IJLUTSLNSA-N 1 2 290.367 1.100 10 30 CDEELO C#CC[N@H+]1CCCN(C(=O)c2ccc(SC)o2)CC1 ZINC001465278756 969860986 /nfs/dbraw/zinc/86/09/86/969860986.db2.gz XWSQHMGMTXBSEA-UHFFFAOYSA-N 1 2 278.377 1.783 10 30 CDEELO C#CC[N@@H+]1CCCN(C(=O)c2ccc(SC)o2)CC1 ZINC001465278756 969860993 /nfs/dbraw/zinc/86/09/93/969860993.db2.gz XWSQHMGMTXBSEA-UHFFFAOYSA-N 1 2 278.377 1.783 10 30 CDEELO C=CCOCCNC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001519273453 970072549 /nfs/dbraw/zinc/07/25/49/970072549.db2.gz RDCKERZFAHAHCW-UHFFFAOYSA-N 1 2 278.356 1.515 10 30 CDEELO N#Cc1cnc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC001472798726 970700508 /nfs/dbraw/zinc/70/05/08/970700508.db2.gz VFOSHGRKRWYCSW-UHFFFAOYSA-N 1 2 270.252 1.078 10 30 CDEELO CC#CCCCC(=O)NC/C=C/C[NH2+]Cc1nonc1C ZINC001497653727 973450000 /nfs/dbraw/zinc/45/00/00/973450000.db2.gz FMEGGGGFLVNPPP-BQYQJAHWSA-N 1 2 290.367 1.334 10 30 CDEELO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](OC)C2CC2)C1 ZINC001373664940 973554121 /nfs/dbraw/zinc/55/41/21/973554121.db2.gz JVQQZRMVMRPUEB-CHWSQXEVSA-N 1 2 286.803 1.697 10 30 CDEELO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](OC)C2CC2)C1 ZINC001373664940 973554130 /nfs/dbraw/zinc/55/41/30/973554130.db2.gz JVQQZRMVMRPUEB-CHWSQXEVSA-N 1 2 286.803 1.697 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001498986878 974150666 /nfs/dbraw/zinc/15/06/66/974150666.db2.gz RYHXOAPYYOJQLZ-AWEZNQCLSA-N 1 2 278.396 1.429 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001498986878 974150670 /nfs/dbraw/zinc/15/06/70/974150670.db2.gz RYHXOAPYYOJQLZ-AWEZNQCLSA-N 1 2 278.396 1.429 10 30 CDEELO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)SC ZINC001501758217 974636651 /nfs/dbraw/zinc/63/66/51/974636651.db2.gz KMVQQJPUIOJOKF-OLZOCXBDSA-N 1 2 286.441 1.521 10 30 CDEELO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)SC ZINC001501758217 974636654 /nfs/dbraw/zinc/63/66/54/974636654.db2.gz KMVQQJPUIOJOKF-OLZOCXBDSA-N 1 2 286.441 1.521 10 30 CDEELO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)SC ZINC001501758219 974636846 /nfs/dbraw/zinc/63/68/46/974636846.db2.gz KMVQQJPUIOJOKF-STQMWFEESA-N 1 2 286.441 1.521 10 30 CDEELO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)SC ZINC001501758219 974636848 /nfs/dbraw/zinc/63/68/48/974636848.db2.gz KMVQQJPUIOJOKF-STQMWFEESA-N 1 2 286.441 1.521 10 30 CDEELO C[C@H]1C[C@H](NC(=O)C#CC2CC2)CC[N@@H+]1Cc1ncccn1 ZINC001502923118 974803083 /nfs/dbraw/zinc/80/30/83/974803083.db2.gz NFWPTMSLKFJKJG-DZGCQCFKSA-N 1 2 298.390 1.359 10 30 CDEELO C[C@H]1C[C@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1ncccn1 ZINC001502923118 974803091 /nfs/dbraw/zinc/80/30/91/974803091.db2.gz NFWPTMSLKFJKJG-DZGCQCFKSA-N 1 2 298.390 1.359 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)CC2CCCCC2)C1 ZINC001569767541 1169990304 /nfs/dbraw/zinc/99/03/04/1169990304.db2.gz XEGPGWYABAYATA-UHFFFAOYSA-N 1 2 280.412 1.696 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@@H](F)C2)C1 ZINC001569773185 1169991656 /nfs/dbraw/zinc/99/16/56/1169991656.db2.gz OAJKQDUKSSMZCU-CHWSQXEVSA-N 1 2 284.375 1.254 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)C(C)(C)CCC)C1 ZINC001569783102 1169993241 /nfs/dbraw/zinc/99/32/41/1169993241.db2.gz IJQMQMAEIHETCR-UHFFFAOYSA-N 1 2 268.401 1.552 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)CCCC(C)C)C1 ZINC001569784768 1169995373 /nfs/dbraw/zinc/99/53/73/1169995373.db2.gz PDPRPZDBNQGEPL-UHFFFAOYSA-N 1 2 268.401 1.552 10 30 CDEELO CC(C)CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001402535629 976345324 /nfs/dbraw/zinc/34/53/24/976345324.db2.gz LQYFKFQNOJTOHW-KBPBESRZSA-N 1 2 281.400 1.399 10 30 CDEELO CC(C)CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001402535629 976345332 /nfs/dbraw/zinc/34/53/32/976345332.db2.gz LQYFKFQNOJTOHW-KBPBESRZSA-N 1 2 281.400 1.399 10 30 CDEELO Cc1cnc(C[N@H+]2CC[C@@](C)(NC(=O)[C@@H](C)C#N)C2)s1 ZINC001407191514 976600904 /nfs/dbraw/zinc/60/09/04/976600904.db2.gz FIURYLCJLCPGMF-IINYFYTJSA-N 1 2 292.408 1.692 10 30 CDEELO Cc1cnc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@@H](C)C#N)C2)s1 ZINC001407191514 976600907 /nfs/dbraw/zinc/60/09/07/976600907.db2.gz FIURYLCJLCPGMF-IINYFYTJSA-N 1 2 292.408 1.692 10 30 CDEELO CC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1nocc1C ZINC001492926424 977284830 /nfs/dbraw/zinc/28/48/30/977284830.db2.gz GDZFGFDTNKFRCY-SNVBAGLBSA-N 1 2 264.329 1.081 10 30 CDEELO CC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1nocc1C ZINC001492926424 977284837 /nfs/dbraw/zinc/28/48/37/977284837.db2.gz GDZFGFDTNKFRCY-SNVBAGLBSA-N 1 2 264.329 1.081 10 30 CDEELO C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccon2)CC1(C)C ZINC001393755233 977907427 /nfs/dbraw/zinc/90/74/27/977907427.db2.gz HHFRLODXYGDGMM-DGCLKSJQSA-N 1 2 290.367 1.551 10 30 CDEELO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccon2)CC1(C)C ZINC001393755233 977907430 /nfs/dbraw/zinc/90/74/30/977907430.db2.gz HHFRLODXYGDGMM-DGCLKSJQSA-N 1 2 290.367 1.551 10 30 CDEELO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cn2c(n1)CCC2 ZINC001394069498 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CC[C@](C)(C#N)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000722406240 683283476 /nfs/dbraw/zinc/28/34/76/683283476.db2.gz OMLLDXJWFLLPPR-CYBMUJFWSA-N 1 2 280.397 1.761 10 30 CDEELO C=CCCOC(=O)[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845589070 683284916 /nfs/dbraw/zinc/28/49/16/683284916.db2.gz IPVXNFGFLAOBSI-VXGBXAGGSA-N 1 2 280.324 1.885 10 30 CDEELO Cc1[nH+]c[nH]c1CC(=O)N1CC(Nc2cccc(C#N)c2)C1 ZINC000869340180 683286737 /nfs/dbraw/zinc/28/67/37/683286737.db2.gz ZGGQHZYFNNCSON-UHFFFAOYSA-N 1 2 295.346 1.455 10 30 CDEELO C=CCCn1cc(C[N@H+]2CC[C@@H](c3noc(C)n3)C2)nn1 ZINC000931934933 683412986 /nfs/dbraw/zinc/41/29/86/683412986.db2.gz IRFPFCVEZRALLN-GFCCVEGCSA-N 1 2 288.355 1.535 10 30 CDEELO C=CCCn1cc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)nn1 ZINC000931934933 683413011 /nfs/dbraw/zinc/41/30/11/683413011.db2.gz IRFPFCVEZRALLN-GFCCVEGCSA-N 1 2 288.355 1.535 10 30 CDEELO C=CC[N@H+](Cc1cn(C[C@@H]2CCOC2)nn1)[C@H](C)COC ZINC000878889656 683491544 /nfs/dbraw/zinc/49/15/44/683491544.db2.gz 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UMZOOUGAGWHMCT-SECBINFHSA-N 1 2 268.254 1.348 10 30 CDEELO C#CCC[N@@H+](CC)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001317478722 957501343 /nfs/dbraw/zinc/50/13/43/957501343.db2.gz UMZOOUGAGWHMCT-SECBINFHSA-N 1 2 268.254 1.348 10 30 CDEELO N#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(F)(F)F ZINC000928800594 726859121 /nfs/dbraw/zinc/85/91/21/726859121.db2.gz NJTOUTMVKPXMAX-BHNWBGBOSA-N 1 2 272.230 1.474 10 30 CDEELO N#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(F)(F)F ZINC000928800594 726859122 /nfs/dbraw/zinc/85/91/22/726859122.db2.gz NJTOUTMVKPXMAX-BHNWBGBOSA-N 1 2 272.230 1.474 10 30 CDEELO COCCOCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866219444 726013686 /nfs/dbraw/zinc/01/36/86/726013686.db2.gz OCWSIQXDVOZSBV-GFCCVEGCSA-N 1 2 278.352 1.968 10 30 CDEELO C#C[C@@H](C)NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000822082928 726088926 /nfs/dbraw/zinc/08/89/26/726088926.db2.gz QSYDHTFDEACDAK-DOMZBBRYSA-N 1 2 272.348 1.407 10 30 CDEELO C#C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000822082928 726088930 /nfs/dbraw/zinc/08/89/30/726088930.db2.gz QSYDHTFDEACDAK-DOMZBBRYSA-N 1 2 272.348 1.407 10 30 CDEELO CCN1c2ccccc2C(=NNCCCn2cc[nH+]c2)C1=O ZINC000848418470 726112188 /nfs/dbraw/zinc/11/21/88/726112188.db2.gz LEHSIHGBRDLPJH-UHFFFAOYSA-N 1 2 297.362 1.634 10 30 CDEELO C#CC[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)C(=O)OC ZINC000877583308 726218093 /nfs/dbraw/zinc/21/80/93/726218093.db2.gz OHWRYQYCNYEJKS-OLZOCXBDSA-N 1 2 265.353 1.633 10 30 CDEELO C#C[C@@H]([NH2+]Cc1cc(Cl)n(C)n1)[C@@H]1CCCO1 ZINC000859258767 726230137 /nfs/dbraw/zinc/23/01/37/726230137.db2.gz SVPGPTGOWMHDIK-MNOVXSKESA-N 1 2 253.733 1.344 10 30 CDEELO N#C[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000928214427 726264502 /nfs/dbraw/zinc/26/45/02/726264502.db2.gz NGDLVFWEKLXHFU-GFCCVEGCSA-N 1 2 272.352 1.524 10 30 CDEELO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCO[C@H]1C ZINC000878917251 726315199 /nfs/dbraw/zinc/31/51/99/726315199.db2.gz FHZYLISTDGRMBG-STQMWFEESA-N 1 2 267.369 1.688 10 30 CDEELO 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JKUDUSHFBOQWDI-LBPRGKRZSA-N 1 2 290.367 1.865 10 30 CDEELO C=CCC[C@H]([NH2+]C[C@@H](OC)[C@H]1CCOC1)C(=O)OCC ZINC001621340653 1165686947 /nfs/dbraw/zinc/68/69/47/1165686947.db2.gz RHUUYKVZRFAAPY-MELADBBJSA-N 1 2 285.384 1.525 10 30 CDEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC001629043471 1166112224 /nfs/dbraw/zinc/11/22/24/1166112224.db2.gz VIJMULYGEMKGNN-QPSCCSFWSA-N 1 2 296.411 1.193 10 30 CDEELO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(CC=C)CCC1 ZINC001707047564 1167073120 /nfs/dbraw/zinc/07/31/20/1167073120.db2.gz ASGSNDSOHMGGQK-CQSZACIVSA-N 1 2 260.381 1.899 10 30 CDEELO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC=C)CCC1 ZINC001707047564 1167073124 /nfs/dbraw/zinc/07/31/24/1167073124.db2.gz ASGSNDSOHMGGQK-CQSZACIVSA-N 1 2 260.381 1.899 10 30 CDEELO CC#CC[NH2+][C@H](C)CN(C)C(=O)C(F)C(F)(F)F ZINC001507075429 975326748 /nfs/dbraw/zinc/32/67/48/975326748.db2.gz CSIVIQFERKIHGB-BDAKNGLRSA-N 1 2 268.254 1.347 10 30 CDEELO CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](F)C(F)(F)F 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UMRKGNMXKIHACE-ZJUUUORDSA-N 1 2 280.265 1.491 10 30 CDEELO C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](F)C(F)(F)F ZINC001267956091 900061123 /nfs/dbraw/zinc/06/11/23/900061123.db2.gz UMRKGNMXKIHACE-ZJUUUORDSA-N 1 2 280.265 1.491 10 30 CDEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)CC2(C)CC2)C1 ZINC001268024033 900385987 /nfs/dbraw/zinc/38/59/87/900385987.db2.gz VSJJERZEFGKHTA-ZDUSSCGKSA-N 1 2 266.385 1.570 10 30 CDEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)CC2(C)CC2)C1 ZINC001268024033 900385999 /nfs/dbraw/zinc/38/59/99/900385999.db2.gz VSJJERZEFGKHTA-ZDUSSCGKSA-N 1 2 266.385 1.570 10 30 CDEELO C=CCN1CC[NH+](CCN(C)C(=O)C(C)(C)C)CC1 ZINC001567721096 1168934397 /nfs/dbraw/zinc/93/43/97/1168934397.db2.gz WJLJWSBXCYXOLH-UHFFFAOYSA-N 1 2 267.417 1.295 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H]2CC)C1 ZINC001481581058 901341850 /nfs/dbraw/zinc/34/18/50/901341850.db2.gz MBCHAACGCXCDRQ-UKRRQHHQSA-N 1 2 280.412 1.816 10 30 CDEELO C=CC[NH+]1CC(NC(=O)CCc2ccc(OC)cc2)C1 ZINC001481599791 901421677 /nfs/dbraw/zinc/42/16/77/901421677.db2.gz PGSBWRORDIJDAB-UHFFFAOYSA-N 1 2 274.364 1.614 10 30 CDEELO C#CC[N@H+](C)CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001268200176 901556204 /nfs/dbraw/zinc/55/62/04/901556204.db2.gz QRRUHGATWCKSBJ-UHFFFAOYSA-N 1 2 288.395 1.146 10 30 CDEELO C=CCC[NH2+]CC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001268366167 901944988 /nfs/dbraw/zinc/94/49/88/901944988.db2.gz LEZMWVCXSLQRBF-RKDXNWHRSA-N 1 2 270.270 1.947 10 30 CDEELO C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001268366167 901944997 /nfs/dbraw/zinc/94/49/97/901944997.db2.gz LEZMWVCXSLQRBF-RKDXNWHRSA-N 1 2 270.270 1.947 10 30 CDEELO N#CCNCC[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001481978786 902426095 /nfs/dbraw/zinc/42/60/95/902426095.db2.gz IZFOSTBTUITLCL-CQSZACIVSA-N 1 2 289.383 1.015 10 30 CDEELO Cc1cnc(C[NH2+]C/C=C/CNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001268528033 902511806 /nfs/dbraw/zinc/51/18/06/902511806.db2.gz DLTBSVRLYXHKFL-NSCUHMNNSA-N 1 2 299.334 1.259 10 30 CDEELO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@](C)(C=C)CC)C1 ZINC001482200547 903328160 /nfs/dbraw/zinc/32/81/60/903328160.db2.gz XWILFQXZAGGAQX-DZGCQCFKSA-N 1 2 266.385 1.592 10 30 CDEELO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@](C)(C=C)CC)C1 ZINC001482200547 903328175 /nfs/dbraw/zinc/32/81/75/903328175.db2.gz XWILFQXZAGGAQX-DZGCQCFKSA-N 1 2 266.385 1.592 10 30 CDEELO C=CCCC(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)noc1C ZINC001269204867 903545092 /nfs/dbraw/zinc/54/50/92/903545092.db2.gz GONNIQRACZJPFX-ZDUSSCGKSA-N 1 2 277.368 1.948 10 30 CDEELO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)noc1C ZINC001269204867 903545103 /nfs/dbraw/zinc/54/51/03/903545103.db2.gz GONNIQRACZJPFX-ZDUSSCGKSA-N 1 2 277.368 1.948 10 30 CDEELO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)CCC1(C)CC1 ZINC001269327202 903696848 /nfs/dbraw/zinc/69/68/48/903696848.db2.gz UXDBXKPITOKHMA-CQSZACIVSA-N 1 2 278.396 1.407 10 30 CDEELO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)CCC1(C)CC1 ZINC001269327202 903696852 /nfs/dbraw/zinc/69/68/52/903696852.db2.gz UXDBXKPITOKHMA-CQSZACIVSA-N 1 2 278.396 1.407 10 30 CDEELO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H](C)n2cccc2)C1 ZINC001269772832 904106422 /nfs/dbraw/zinc/10/64/22/904106422.db2.gz KHXGPKVICXLOGH-AWEZNQCLSA-N 1 2 291.395 1.394 10 30 CDEELO CC(C)C#CC(=O)N(C)[C@H](C)C[NH2+]Cc1cnsn1 ZINC001270956807 905492338 /nfs/dbraw/zinc/49/23/38/905492338.db2.gz MQCPDTOMOFFJIX-LLVKDONJSA-N 1 2 280.397 1.134 10 30 CDEELO C#CCCCC(=O)N[C@H](C)C[N@H+](C)Cc1cc(C)n(C)n1 ZINC001483331270 910905348 /nfs/dbraw/zinc/90/53/48/910905348.db2.gz NDBJYMRVFYRLEW-CYBMUJFWSA-N 1 2 290.411 1.469 10 30 CDEELO C#CCCCC(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C)n(C)n1 ZINC001483331270 910905361 /nfs/dbraw/zinc/90/53/61/910905361.db2.gz NDBJYMRVFYRLEW-CYBMUJFWSA-N 1 2 290.411 1.469 10 30 CDEELO CC(C)C#CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)c1ncccn1 ZINC001483335738 910913802 /nfs/dbraw/zinc/91/38/02/910913802.db2.gz GFNYLMMRQQHBLI-ZIAGYGMSSA-N 1 2 288.395 1.634 10 30 CDEELO CC(C)C#CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1ncccn1 ZINC001483335738 910913816 /nfs/dbraw/zinc/91/38/16/910913816.db2.gz GFNYLMMRQQHBLI-ZIAGYGMSSA-N 1 2 288.395 1.634 10 30 CDEELO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCCCC1 ZINC001483626108 911940746 /nfs/dbraw/zinc/94/07/46/911940746.db2.gz OOVKDATZKNKWGH-HNNXBMFYSA-N 1 2 278.396 1.407 10 30 CDEELO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C1CCCCC1 ZINC001483626108 911940760 /nfs/dbraw/zinc/94/07/60/911940760.db2.gz OOVKDATZKNKWGH-HNNXBMFYSA-N 1 2 278.396 1.407 10 30 CDEELO C=CCOCC[NH+]1CC(N(C)C(=O)CC2CCOCC2)C1 ZINC001483856546 915124065 /nfs/dbraw/zinc/12/40/65/915124065.db2.gz BSSSGKJHXKBLTC-UHFFFAOYSA-N 1 2 296.411 1.148 10 30 CDEELO C=C[C@](C)(O)CC(=O)N(C)C1C[NH+](CCOCC(C)C)C1 ZINC001483860867 915131844 /nfs/dbraw/zinc/13/18/44/915131844.db2.gz ROVMYARQVLVFRL-INIZCTEOSA-N 1 2 298.427 1.129 10 30 CDEELO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1 ZINC001484591260 915926281 /nfs/dbraw/zinc/92/62/81/915926281.db2.gz HGAGLHWUJVFNLG-OAHLLOKOSA-N 1 2 276.380 1.183 10 30 CDEELO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1 ZINC001484591260 915926297 /nfs/dbraw/zinc/92/62/97/915926297.db2.gz HGAGLHWUJVFNLG-OAHLLOKOSA-N 1 2 276.380 1.183 10 30 CDEELO CC(C)C#CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)c1ncccn1 ZINC001485304844 916817170 /nfs/dbraw/zinc/81/71/70/916817170.db2.gz VVPBQEIEHLOOHS-KGLIPLIRSA-N 1 2 288.395 1.634 10 30 CDEELO CC(C)C#CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)c1ncccn1 ZINC001485304844 916817192 /nfs/dbraw/zinc/81/71/92/916817192.db2.gz VVPBQEIEHLOOHS-KGLIPLIRSA-N 1 2 288.395 1.634 10 30 CDEELO Cc1conc1C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)C#N)C1 ZINC001485497970 917031718 /nfs/dbraw/zinc/03/17/18/917031718.db2.gz RJNXZPCDOPQECZ-GXSJLCMTSA-N 1 2 276.340 1.079 10 30 CDEELO C#C[C@@H](CO)[NH2+]Cc1nc(-c2cccc(OC)c2)cs1 ZINC001183103847 918306307 /nfs/dbraw/zinc/30/63/07/918306307.db2.gz POLCLSMNAHDEMR-LBPRGKRZSA-N 1 2 288.372 1.902 10 30 CDEELO C[C@H](CC[NH2+]CC(F)(F)C(F)F)NC(=O)C#CC1CC1 ZINC001272773479 919224643 /nfs/dbraw/zinc/22/46/43/919224643.db2.gz LXCRKBLBPZMEJS-SECBINFHSA-N 1 2 294.292 1.785 10 30 CDEELO C=CCn1cc(C(=O)NCc2ccn3cc[nH+]c3c2)nn1 ZINC001137461488 936602772 /nfs/dbraw/zinc/60/27/72/936602772.db2.gz YLVQVUBEZCRRSZ-UHFFFAOYSA-N 1 2 282.307 1.042 10 30 CDEELO C=CCCC(=O)N1CCOC2(C[NH+](CCC[C@@H](C)O)C2)C1 ZINC001273613854 922421058 /nfs/dbraw/zinc/42/10/58/922421058.db2.gz HMQWPSQEZUBHLI-CQSZACIVSA-N 1 2 296.411 1.027 10 30 CDEELO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1(F)CCCC1)O2 ZINC001273663237 923866945 /nfs/dbraw/zinc/86/69/45/923866945.db2.gz XBVFZHDSHVRDOY-ZDUSSCGKSA-N 1 2 296.386 1.804 10 30 CDEELO Cc1cnn(CCCCC[NH+]2CC(O)(CC#N)C2)c1 ZINC001193715279 923876381 /nfs/dbraw/zinc/87/63/81/923876381.db2.gz WZDHPXKJQAZWFA-UHFFFAOYSA-N 1 2 262.357 1.322 10 30 CDEELO C=CCOCC(=O)N[C@H]1COC2(C[NH+](CC=C(C)C)C2)C1 ZINC001273685790 924353167 /nfs/dbraw/zinc/35/31/67/924353167.db2.gz MNUJBFDYBVZJAB-CQSZACIVSA-N 1 2 294.395 1.115 10 30 CDEELO C=CCCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001488160892 926122966 /nfs/dbraw/zinc/12/29/66/926122966.db2.gz PKLIIYPCMLKLIC-WCQYABFASA-N 1 2 290.367 1.024 10 30 CDEELO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]1C ZINC001489256120 926841702 /nfs/dbraw/zinc/84/17/02/926841702.db2.gz KGRGKQBTBQDADE-GDPRMGEGSA-N 1 2 255.749 1.478 10 30 CDEELO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]1C ZINC001489256120 926841713 /nfs/dbraw/zinc/84/17/13/926841713.db2.gz KGRGKQBTBQDADE-GDPRMGEGSA-N 1 2 255.749 1.478 10 30 CDEELO C#C[C@@H](C)NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000858368439 928848749 /nfs/dbraw/zinc/84/87/49/928848749.db2.gz KSRGMKSFSUHIMK-LLVKDONJSA-N 1 2 289.383 1.641 10 30 CDEELO C#CCCCOc1ccc[nH+]c1NC[C@H](O)[C@H]1CCCO1 ZINC000858690375 928908104 /nfs/dbraw/zinc/90/81/04/928908104.db2.gz OTVSHVOQLWVXGR-UONOGXRCSA-N 1 2 290.363 1.826 10 30 CDEELO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nncn2C)[C@@H](C)C1 ZINC001274596117 931517237 /nfs/dbraw/zinc/51/72/37/931517237.db2.gz GJHIWZNISFHKJY-STQMWFEESA-N 1 2 291.399 1.250 10 30 CDEELO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nncn2C)[C@@H](C)C1 ZINC001274596117 931517246 /nfs/dbraw/zinc/51/72/46/931517246.db2.gz GJHIWZNISFHKJY-STQMWFEESA-N 1 2 291.399 1.250 10 30 CDEELO C#Cc1ccc(C(=O)N[C@H](C)C[NH2+]Cc2nc(C)no2)cc1 ZINC001274878022 931599306 /nfs/dbraw/zinc/59/93/06/931599306.db2.gz NLXNZPLJOKOHAO-LLVKDONJSA-N 1 2 298.346 1.267 10 30 CDEELO C=C[C@H](CC)CC(=O)N[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001275274847 931722544 /nfs/dbraw/zinc/72/25/44/931722544.db2.gz VWBVBRUGSXYTOS-WDEREUQCSA-N 1 2 282.413 1.735 10 30 CDEELO C=CCCC(=O)N[C@H](C)C1C[NH+](CC(=O)N[C@H](C)CC)C1 ZINC001276350608 935038983 /nfs/dbraw/zinc/03/89/83/935038983.db2.gz MTQGNCXGSCVBKH-CHWSQXEVSA-N 1 2 295.427 1.304 10 30 CDEELO C=CCCOCCNC(=O)NCc1cc[nH+]c(NC)c1 ZINC001123750790 936213468 /nfs/dbraw/zinc/21/34/68/936213468.db2.gz JRMCVKLCLUOWBC-UHFFFAOYSA-N 1 2 278.356 1.515 10 30 CDEELO CNc1cc(CNc2cnc(C#N)c(C#N)n2)cc[nH+]1 ZINC001164190426 939428015 /nfs/dbraw/zinc/42/80/15/939428015.db2.gz ATGNKTVEVGFUBH-UHFFFAOYSA-N 1 2 265.280 1.269 10 30 CDEELO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cscc1C ZINC001276823156 941540623 /nfs/dbraw/zinc/54/06/23/941540623.db2.gz MKDKGBDXAHOCQA-CYBMUJFWSA-N 1 2 292.404 1.510 10 30 CDEELO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cscc1C ZINC001276823156 941540626 /nfs/dbraw/zinc/54/06/26/941540626.db2.gz MKDKGBDXAHOCQA-CYBMUJFWSA-N 1 2 292.404 1.510 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+]1[C@@H](CC)C(N)=O ZINC001276861726 941655898 /nfs/dbraw/zinc/65/58/98/941655898.db2.gz QFMRSGVBHFZDHA-NEPJUHHUSA-N 1 2 281.400 1.043 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H](CC)C(N)=O ZINC001276861726 941655901 /nfs/dbraw/zinc/65/59/01/941655901.db2.gz QFMRSGVBHFZDHA-NEPJUHHUSA-N 1 2 281.400 1.043 10 30 CDEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)CSC)O2 ZINC001280920368 942506398 /nfs/dbraw/zinc/50/63/98/942506398.db2.gz RRCYAAMTFSXGHJ-QWHCGFSZSA-N 1 2 298.452 1.521 10 30 CDEELO C=CCCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cnsn1 ZINC001282186981 942675059 /nfs/dbraw/zinc/67/50/59/942675059.db2.gz XWFOABYRHVZCJQ-QWRGUYRKSA-N 1 2 282.413 1.877 10 30 CDEELO Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)C#CC(C)(C)C)o1 ZINC001283609124 942946039 /nfs/dbraw/zinc/94/60/39/942946039.db2.gz XZUWSLBRCWAOHM-LLVKDONJSA-N 1 2 292.383 1.364 10 30 CDEELO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](CCN(C)C(C)=O)CC1 ZINC001284835562 943263743 /nfs/dbraw/zinc/26/37/43/943263743.db2.gz KTJYMVNFKCKSEL-ZIAGYGMSSA-N 1 2 295.427 1.067 10 30 CDEELO C=CCn1cc(C(=O)Nc2cccc3[nH+]ccn32)nn1 ZINC001265165076 944255705 /nfs/dbraw/zinc/25/57/05/944255705.db2.gz GDCXHJCJYNCXDN-UHFFFAOYSA-N 1 2 268.280 1.364 10 30 CDEELO C[C@H](CC(=O)NCCCN(CC#N)C1CC1)n1cc[nH+]c1 ZINC001265177300 944264025 /nfs/dbraw/zinc/26/40/25/944264025.db2.gz OMYBYSSGMXIORJ-CYBMUJFWSA-N 1 2 289.383 1.328 10 30 CDEELO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC(F)F)C1 ZINC001265295081 944326807 /nfs/dbraw/zinc/32/68/07/944326807.db2.gz PBFIXQMJUPEMIE-VIFPVBQESA-N 1 2 266.719 1.975 10 30 CDEELO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC(F)F)C1 ZINC001265295081 944326821 /nfs/dbraw/zinc/32/68/21/944326821.db2.gz PBFIXQMJUPEMIE-VIFPVBQESA-N 1 2 266.719 1.975 10 30 CDEELO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC001261281967 946033451 /nfs/dbraw/zinc/03/34/51/946033451.db2.gz RWQXHRDAOZSDRY-CYBMUJFWSA-N 1 2 252.358 1.133 10 30 CDEELO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CF)CCC1 ZINC001479248018 971273481 /nfs/dbraw/zinc/27/34/81/971273481.db2.gz YQFAIKDZJWDUGL-CQSZACIVSA-N 1 2 296.386 1.309 10 30 CDEELO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(CF)CCC1 ZINC001479248018 971273487 /nfs/dbraw/zinc/27/34/87/971273487.db2.gz YQFAIKDZJWDUGL-CQSZACIVSA-N 1 2 296.386 1.309 10 30 CDEELO C=CCO[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC001254555707 947525181 /nfs/dbraw/zinc/52/51/81/947525181.db2.gz FZDHQZSBLQGAQL-KGLIPLIRSA-N 1 2 278.327 1.629 10 30 CDEELO C=CCO[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC001254555707 947525195 /nfs/dbraw/zinc/52/51/95/947525195.db2.gz FZDHQZSBLQGAQL-KGLIPLIRSA-N 1 2 278.327 1.629 10 30 CDEELO C#CCC1(C(=O)NCC2(O)C[NH+](CC)C2)CCCCC1 ZINC001278936302 948316015 /nfs/dbraw/zinc/31/60/15/948316015.db2.gz FKCCFEUYJXELMQ-UHFFFAOYSA-N 1 2 278.396 1.143 10 30 CDEELO C=CCN1CC[NH+](CCNC(=O)CC(C)=C(C)C)CC1 ZINC001479934005 971489929 /nfs/dbraw/zinc/48/99/29/971489929.db2.gz FGZCOESYIQHUDR-UHFFFAOYSA-N 1 2 279.428 1.653 10 30 CDEELO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[C@H](C)CC ZINC001480100840 971577020 /nfs/dbraw/zinc/57/70/20/971577020.db2.gz DLLXVCJPIUNICG-TUVASFSCSA-N 1 2 262.397 1.977 10 30 CDEELO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[C@H](C)CC ZINC001480100840 971577027 /nfs/dbraw/zinc/57/70/27/971577027.db2.gz DLLXVCJPIUNICG-TUVASFSCSA-N 1 2 262.397 1.977 10 30 CDEELO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)COC ZINC001569108264 1169654064 /nfs/dbraw/zinc/65/40/64/1169654064.db2.gz GECMQIHHWGMXTI-KOLCDFICSA-N 1 2 262.781 1.458 10 30 CDEELO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)COC ZINC001569108264 1169654069 /nfs/dbraw/zinc/65/40/69/1169654069.db2.gz GECMQIHHWGMXTI-KOLCDFICSA-N 1 2 262.781 1.458 10 30 CDEELO C=CC(C)(C)C(=O)N[C@H](CC)CNC(=O)Cn1cc[nH+]c1 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C[C@H]1CCOCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000362470150 159156134 /nfs/dbraw/zinc/15/61/34/159156134.db2.gz DKYKIQOSCUHGGG-JTQLQIEISA-N 1 2 279.365 1.669 10 30 CDEELO N#Cc1ccc(CNC(=O)C2([NH+]3CCOCC3)CCC2)cc1 ZINC000373150373 160177363 /nfs/dbraw/zinc/17/73/63/160177363.db2.gz BXSMYIBJSHBDTO-UHFFFAOYSA-N 1 2 299.374 1.429 10 30 CDEELO N#Cc1ccccc1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285331227 196252449 /nfs/dbraw/zinc/25/24/49/196252449.db2.gz NVVWIRXZWMCOQW-INIZCTEOSA-N 1 2 272.348 1.940 10 30 CDEELO N#Cc1ccccc1C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285331227 196252451 /nfs/dbraw/zinc/25/24/51/196252451.db2.gz NVVWIRXZWMCOQW-INIZCTEOSA-N 1 2 272.348 1.940 10 30 CDEELO N#CCC[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000037240211 173056784 /nfs/dbraw/zinc/05/67/84/173056784.db2.gz XYOPNMSIOXSBKA-NSHDSACASA-N 1 2 250.323 1.408 10 30 CDEELO CC[C@H]1C[N@H+](Cc2ccc(C#CCO)s2)CCO1 ZINC000043679692 175090725 /nfs/dbraw/zinc/09/07/25/175090725.db2.gz FFBDDSMRQJYNIR-LBPRGKRZSA-N 1 2 265.378 1.703 10 30 CDEELO CC[C@H]1C[N@@H+](Cc2ccc(C#CCO)s2)CCO1 ZINC000043679692 175090726 /nfs/dbraw/zinc/09/07/26/175090726.db2.gz FFBDDSMRQJYNIR-LBPRGKRZSA-N 1 2 265.378 1.703 10 30 CDEELO C[C@@]([NH3+])(C#N)CSc1nnc(C2CC2)n1C1CC1 ZINC000045217980 175329584 /nfs/dbraw/zinc/32/95/84/175329584.db2.gz IWRZTKVRFKSNBO-GFCCVEGCSA-N 1 2 263.370 1.823 10 30 CDEELO C[C@H](O)CN1C(=O)c2ccc(C[NH+](C)C)cc2[C@H]1C#N ZINC000071680420 176244944 /nfs/dbraw/zinc/24/49/44/176244944.db2.gz ROBFFDXZSHILCN-IINYFYTJSA-N 1 2 273.336 1.149 10 30 CDEELO C=CCN(CC=C)C(=O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000077370428 177258933 /nfs/dbraw/zinc/25/89/33/177258933.db2.gz XIBIDDDLWKEFRJ-BETUJISGSA-N 1 2 252.358 1.296 10 30 CDEELO C=CCN(CC=C)C(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000077370428 177258935 /nfs/dbraw/zinc/25/89/35/177258935.db2.gz XIBIDDDLWKEFRJ-BETUJISGSA-N 1 2 252.358 1.296 10 30 CDEELO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000366989217 226120640 /nfs/dbraw/zinc/12/06/40/226120640.db2.gz ODJUACRBJDGTOL-OLZOCXBDSA-N 1 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HIAQDZKKQHEQMX-HOTGVXAUSA-N 1 2 294.439 1.899 10 30 CDEELO CC[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1CC#CCOC)C(C)C ZINC001733229003 1183353734 /nfs/dbraw/zinc/35/37/34/1183353734.db2.gz HIAQDZKKQHEQMX-HOTGVXAUSA-N 1 2 294.439 1.899 10 30 CDEELO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H](C)CSC)C1 ZINC001733301927 1183385716 /nfs/dbraw/zinc/38/57/16/1183385716.db2.gz SYUDUALBEOHSBU-LBPRGKRZSA-N 1 2 286.441 1.331 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC001733501928 1183451833 /nfs/dbraw/zinc/45/18/33/1183451833.db2.gz XFHFPKSTMSRQIM-VOTSOKGWSA-N 1 2 266.385 1.328 10 30 CDEELO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCC)O2 ZINC001733787636 1183532859 /nfs/dbraw/zinc/53/28/59/1183532859.db2.gz NNULKDQACZODCB-ZDUSSCGKSA-N 1 2 266.385 1.712 10 30 CDEELO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)/C=C(/C)CC)CO2 ZINC001733796262 1183535361 /nfs/dbraw/zinc/53/53/61/1183535361.db2.gz UILIFGYVEDQFQQ-YLHGKKIISA-N 1 2 276.380 1.326 10 30 CDEELO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CCCF)CO2 ZINC001733801532 1183536181 /nfs/dbraw/zinc/53/61/81/1183536181.db2.gz GUOIEFQFKFEPFM-GFCCVEGCSA-N 1 2 270.348 1.272 10 30 CDEELO Cc1nnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C#CC(C)(C)C)o1 ZINC001733977807 1183598080 /nfs/dbraw/zinc/59/80/80/1183598080.db2.gz YZCMIIHLRUHHMT-GHMZBOCLSA-N 1 2 292.383 1.410 10 30 CDEELO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001733982837 1183600747 /nfs/dbraw/zinc/60/07/47/1183600747.db2.gz FNRGDBWBNPEYHC-QWRGUYRKSA-N 1 2 294.399 1.963 10 30 CDEELO C#CC[NH+]1CCN(c2nnc(C)n2C[C@@H]2CC=CCC2)CC1 ZINC001740691092 1184523238 /nfs/dbraw/zinc/52/32/38/1184523238.db2.gz UKGRFCJWDNDQEQ-MRXNPFEDSA-N 1 2 299.422 1.698 10 30 CDEELO C#CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000862577640 758864779 /nfs/dbraw/zinc/86/47/79/758864779.db2.gz MWGOIRHVKMSWGS-YNEHKIRRSA-N 1 2 257.337 1.395 10 30 CDEELO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccn(C)n1 ZINC000865515278 758976189 /nfs/dbraw/zinc/97/61/89/758976189.db2.gz MFLHOYQXBUZGNE-UHFFFAOYSA-N 1 2 269.352 1.648 10 30 CDEELO C#CCCCCC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000878622722 768815556 /nfs/dbraw/zinc/81/55/56/768815556.db2.gz SQEVRRPGHFCTTF-GFCCVEGCSA-N 1 2 262.357 1.883 10 30 CDEELO C=C1CCC(CNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000830991172 768822564 /nfs/dbraw/zinc/82/25/64/768822564.db2.gz VPXXNHMWPATTTA-IHWYPQMZSA-N 1 2 278.396 1.737 10 30 CDEELO C#CCNC(=O)C[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000778128461 768878994 /nfs/dbraw/zinc/87/89/94/768878994.db2.gz YFQCTPHWDMBEAU-UHFFFAOYSA-N 1 2 263.366 1.170 10 30 CDEELO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866365457 768888066 /nfs/dbraw/zinc/88/80/66/768888066.db2.gz WVNQXEMZGHKLSH-OSAQELSMSA-N 1 2 290.363 1.966 10 30 CDEELO C#CC[C@H]1CCCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000825728445 769064061 /nfs/dbraw/zinc/06/40/61/769064061.db2.gz VZNWFVLJWROBNU-KGLIPLIRSA-N 1 2 274.368 1.717 10 30 CDEELO C=CC(C)(C)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869380811 769099018 /nfs/dbraw/zinc/09/90/18/769099018.db2.gz BYFXXYHHBQMNQV-WAYWQWQTSA-N 1 2 266.385 1.593 10 30 CDEELO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1cccc(C#N)c1O ZINC000866346171 769685233 /nfs/dbraw/zinc/68/52/33/769685233.db2.gz UZMZXBJCCGMAEY-SNVBAGLBSA-N 1 2 294.376 1.349 10 30 CDEELO C=CC[N@@H+](CCc1ccco1)Cn1cc(C(=O)OC)nn1 ZINC000778584221 770044299 /nfs/dbraw/zinc/04/42/99/770044299.db2.gz BIFWKRSBNQRSFJ-UHFFFAOYSA-N 1 2 290.323 1.346 10 30 CDEELO C=CC[N@H+](CCc1ccco1)Cn1cc(C(=O)OC)nn1 ZINC000778584221 770044314 /nfs/dbraw/zinc/04/43/14/770044314.db2.gz BIFWKRSBNQRSFJ-UHFFFAOYSA-N 1 2 290.323 1.346 10 30 CDEELO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866393651 770078753 /nfs/dbraw/zinc/07/87/53/770078753.db2.gz QQEAQHBDAOZEFX-ZWNOBZJWSA-N 1 2 273.336 1.535 10 30 CDEELO C#CC[C@H]1CCC[N@@H+](Cn2nc(CO)n(C)c2=S)C1 ZINC000842629427 770836070 /nfs/dbraw/zinc/83/60/70/770836070.db2.gz MORZJPGASHDHIQ-NSHDSACASA-N 1 2 280.397 1.136 10 30 CDEELO C#CC[C@H]1CCC[N@H+](Cn2nc(CO)n(C)c2=S)C1 ZINC000842629427 770836072 /nfs/dbraw/zinc/83/60/72/770836072.db2.gz MORZJPGASHDHIQ-NSHDSACASA-N 1 2 280.397 1.136 10 30 CDEELO Cc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)cc1C#N ZINC000859219317 770852937 /nfs/dbraw/zinc/85/29/37/770852937.db2.gz UQIDBPBJKWZYOM-HNNXBMFYSA-N 1 2 285.347 1.893 10 30 CDEELO Cc1ccc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)cc1C#N ZINC000859219317 770852940 /nfs/dbraw/zinc/85/29/40/770852940.db2.gz UQIDBPBJKWZYOM-HNNXBMFYSA-N 1 2 285.347 1.893 10 30 CDEELO C=CCCC[NH2+][C@](C)(Cn1cccn1)C(=O)OC ZINC000934716494 771037519 /nfs/dbraw/zinc/03/75/19/771037519.db2.gz ZQIJMGUKCWFSFZ-CYBMUJFWSA-N 1 2 251.330 1.371 10 30 CDEELO C#CCSCCNc1cc(CC(=O)OC)cc[nH+]1 ZINC000853366033 771066906 /nfs/dbraw/zinc/06/69/06/771066906.db2.gz YTXRZFLEIYXYHQ-UHFFFAOYSA-N 1 2 264.350 1.575 10 30 CDEELO NC(=[NH+]OC[C@H]1COCCO1)c1ccc(Cl)cc1 ZINC000853646187 771160090 /nfs/dbraw/zinc/16/00/90/771160090.db2.gz OEHNNJHLWGLRQJ-LLVKDONJSA-N 1 2 270.716 1.392 10 30 CDEELO C=CCc1cc(C[NH2+]Cc2cnn(C)n2)cc(OC)c1O ZINC000808417143 771336127 /nfs/dbraw/zinc/33/61/27/771336127.db2.gz DKQXFZKFMIHHDE-UHFFFAOYSA-N 1 2 288.351 1.548 10 30 CDEELO C#Cc1cccc(NC(=O)C[N@H+](C)CCc2nnc(C)o2)c1 ZINC000929290293 771340797 /nfs/dbraw/zinc/34/07/97/771340797.db2.gz PTKDVTMACNFEBS-UHFFFAOYSA-N 1 2 298.346 1.472 10 30 CDEELO C#Cc1cccc(NC(=O)C[N@@H+](C)CCc2nnc(C)o2)c1 ZINC000929290293 771340802 /nfs/dbraw/zinc/34/08/02/771340802.db2.gz PTKDVTMACNFEBS-UHFFFAOYSA-N 1 2 298.346 1.472 10 30 CDEELO C#Cc1ccc(C[N@H+](CC)Cc2cn(C)nn2)cc1 ZINC000809637343 771456311 /nfs/dbraw/zinc/45/63/11/771456311.db2.gz FBBXMMRMLOWPJD-UHFFFAOYSA-N 1 2 254.337 1.819 10 30 CDEELO C#Cc1ccc(C[N@@H+](CC)Cc2cn(C)nn2)cc1 ZINC000809637343 771456327 /nfs/dbraw/zinc/45/63/27/771456327.db2.gz FBBXMMRMLOWPJD-UHFFFAOYSA-N 1 2 254.337 1.819 10 30 CDEELO C#CC1(O)CC[NH+]([C@H](C(=O)OC)c2ccccc2C)CC1 ZINC000931150766 771809350 /nfs/dbraw/zinc/80/93/50/771809350.db2.gz IVPFMXKHTSSVSP-HNNXBMFYSA-N 1 2 287.359 1.669 10 30 CDEELO C=CC(C)(C)CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000832714324 771864635 /nfs/dbraw/zinc/86/46/35/771864635.db2.gz BQGGTZXZKZKBLG-ALCCZGGFSA-N 1 2 280.412 1.983 10 30 CDEELO Cn1cc(C#N)cc1C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842887244 771879339 /nfs/dbraw/zinc/87/93/39/771879339.db2.gz DSJWRRCLZFCDDR-UHFFFAOYSA-N 1 2 296.330 1.585 10 30 CDEELO CC(=O)NCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866222218 771964776 /nfs/dbraw/zinc/96/47/76/771964776.db2.gz XIBWQEBZECIRKU-JTQLQIEISA-N 1 2 261.325 1.441 10 30 CDEELO C=CCNC(=O)C[N@@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000879235578 772058189 /nfs/dbraw/zinc/05/81/89/772058189.db2.gz HMTWUWDLRLEMOX-UHFFFAOYSA-N 1 2 287.363 1.305 10 30 CDEELO C=CCNC(=O)C[N@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000879235578 772058195 /nfs/dbraw/zinc/05/81/95/772058195.db2.gz HMTWUWDLRLEMOX-UHFFFAOYSA-N 1 2 287.363 1.305 10 30 CDEELO C#CCC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCCC1 ZINC000857886726 772089081 /nfs/dbraw/zinc/08/90/81/772089081.db2.gz IYFRLXWQCNXRJH-CYBMUJFWSA-N 1 2 271.364 1.898 10 30 CDEELO C=CC[C@@H](CC)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935800418 772300617 /nfs/dbraw/zinc/30/06/17/772300617.db2.gz RHPKWENNGWXNEL-KFWWJZLASA-N 1 2 296.411 1.337 10 30 CDEELO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1cccc(C#N)c1O ZINC000866348827 772377929 /nfs/dbraw/zinc/37/79/29/772377929.db2.gz WGSJOQUEUHNRPM-ZJUUUORDSA-N 1 2 271.324 1.804 10 30 CDEELO Cc1nc(N(C)C[C@H](O)c2cccc(C#N)c2)cc[nH+]1 ZINC000845608906 772569008 /nfs/dbraw/zinc/56/90/08/772569008.db2.gz QNRUGRSLHUQWJD-AWEZNQCLSA-N 1 2 268.320 1.827 10 30 CDEELO C#C[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CCOCC1 ZINC000856120190 772733770 /nfs/dbraw/zinc/73/37/70/772733770.db2.gz SQELINKUZYBURV-RISCZKNCSA-N 1 2 275.352 1.133 10 30 CDEELO C#C[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCOCC1 ZINC000856120190 772733773 /nfs/dbraw/zinc/73/37/73/772733773.db2.gz SQELINKUZYBURV-RISCZKNCSA-N 1 2 275.352 1.133 10 30 CDEELO C#CC1(NC(=O)[C@@H](CC)[N@@H+]2CCO[C@@H](CC)C2)CCCC1 ZINC000922218198 772763100 /nfs/dbraw/zinc/76/31/00/772763100.db2.gz XPGJWNWXPQIQIS-LSDHHAIUSA-N 1 2 292.423 1.938 10 30 CDEELO C#CC1(NC(=O)[C@@H](CC)[N@H+]2CCO[C@@H](CC)C2)CCCC1 ZINC000922218198 772763108 /nfs/dbraw/zinc/76/31/08/772763108.db2.gz XPGJWNWXPQIQIS-LSDHHAIUSA-N 1 2 292.423 1.938 10 30 CDEELO C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cccc(C#N)c1O ZINC000927145037 772767698 /nfs/dbraw/zinc/76/76/98/772767698.db2.gz WKHUJPJWTASTHT-JQWIXIFHSA-N 1 2 297.362 1.600 10 30 CDEELO C=CC[C@H](C(=O)OC)[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000879010454 772774757 /nfs/dbraw/zinc/77/47/57/772774757.db2.gz CADRVVZIFYNLMB-CYBMUJFWSA-N 1 2 277.368 1.912 10 30 CDEELO C=CC[C@H](C(=O)OC)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000879010454 772774758 /nfs/dbraw/zinc/77/47/58/772774758.db2.gz CADRVVZIFYNLMB-CYBMUJFWSA-N 1 2 277.368 1.912 10 30 CDEELO COC(=O)[C@H](NCc1c[nH+]cn1C)c1ccc(C#N)cc1 ZINC000811803089 772812154 /nfs/dbraw/zinc/81/21/54/772812154.db2.gz LVLJFOZOYQNCOO-CQSZACIVSA-N 1 2 284.319 1.296 10 30 CDEELO CCN1C[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)CC1=O ZINC000866383127 773011078 /nfs/dbraw/zinc/01/10/78/773011078.db2.gz 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C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2nc(C#N)cs2)CC1=O ZINC000564411020 293353339 /nfs/dbraw/zinc/35/33/39/293353339.db2.gz IUQCFXPVBCNWML-KKZNHRDASA-N 1 2 276.365 1.114 10 30 CDEELO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc[nH+]cc1C ZINC000563029712 327772797 /nfs/dbraw/zinc/77/27/97/327772797.db2.gz SKTRCHCUCOLFQO-AAEUAGOBSA-N 1 2 261.325 1.525 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001672109679 1173741406 /nfs/dbraw/zinc/74/14/06/1173741406.db2.gz GOMZSQFYWKLVQR-GFCCVEGCSA-N 1 2 266.385 1.162 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)CC[C@@H]2CCCCO2)C1 ZINC001672121378 1173743096 /nfs/dbraw/zinc/74/30/96/1173743096.db2.gz QABOALCWORUWDU-AWEZNQCLSA-N 1 2 296.411 1.075 10 30 CDEELO C#CCCCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378071095 329038751 /nfs/dbraw/zinc/03/87/51/329038751.db2.gz KYBDRIBVDSHODA-LLVKDONJSA-N 1 2 260.341 1.370 10 30 CDEELO C#CCCCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378071095 329038750 /nfs/dbraw/zinc/03/87/50/329038750.db2.gz 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C[C@H](O)[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC001363813735 953844937 /nfs/dbraw/zinc/84/49/37/953844937.db2.gz SSXMVROTKPDTBR-WFASDCNBSA-N 1 2 276.336 1.171 10 30 CDEELO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC001363813735 953844951 /nfs/dbraw/zinc/84/49/51/953844951.db2.gz SSXMVROTKPDTBR-WFASDCNBSA-N 1 2 276.336 1.171 10 30 CDEELO CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1[nH]ncc1F ZINC001569171684 1169702701 /nfs/dbraw/zinc/70/27/01/1169702701.db2.gz XILCXUCBAKXGLL-YPMHNXCESA-N 1 2 292.358 1.450 10 30 CDEELO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](CC)CCC)CO2 ZINC001327411112 954870610 /nfs/dbraw/zinc/87/06/10/954870610.db2.gz FEGRXCKNXMDMCV-HUUCEWRRSA-N 1 2 292.423 1.796 10 30 CDEELO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc(C#N)ccc1NC ZINC001296944282 954921370 /nfs/dbraw/zinc/92/13/70/954921370.db2.gz PFZXZZIAPQSUPU-CYBMUJFWSA-N 1 2 258.325 1.633 10 30 CDEELO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc(C#N)ccc1NC ZINC001296944282 954921379 /nfs/dbraw/zinc/92/13/79/954921379.db2.gz 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ZINC000599365332 344027044 /nfs/dbraw/zinc/02/70/44/344027044.db2.gz AGGAOJZWFQYQHP-BBRMVZONSA-N 1 2 274.364 1.838 10 30 CDEELO N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000595637538 343123207 /nfs/dbraw/zinc/12/32/07/343123207.db2.gz YINDYZGRHOIICL-NWDGAFQWSA-N 1 2 287.367 1.602 10 30 CDEELO N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000595637538 343123210 /nfs/dbraw/zinc/12/32/10/343123210.db2.gz YINDYZGRHOIICL-NWDGAFQWSA-N 1 2 287.367 1.602 10 30 CDEELO COC(=O)c1cccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1C#N ZINC000595758675 343143289 /nfs/dbraw/zinc/14/32/89/343143289.db2.gz UDJOLQJIAGOFQR-BLLLJJGKSA-N 1 2 286.331 1.302 10 30 CDEELO COC(=O)c1cccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1C#N ZINC000595758675 343143290 /nfs/dbraw/zinc/14/32/90/343143290.db2.gz UDJOLQJIAGOFQR-BLLLJJGKSA-N 1 2 286.331 1.302 10 30 CDEELO C[C@]1(C#N)CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000596489271 343329570 /nfs/dbraw/zinc/32/95/70/343329570.db2.gz RRAUGUJDVIPJIM-OAHLLOKOSA-N 1 2 283.335 1.779 10 30 CDEELO N#CC1(c2ccc(C[N@@H+]3CCNC(=O)C3)cc2)CC1 ZINC000596978046 343428811 /nfs/dbraw/zinc/42/88/11/343428811.db2.gz SGGGEYOOPXBNCV-UHFFFAOYSA-N 1 2 255.321 1.174 10 30 CDEELO N#CC1(c2ccc(C[N@H+]3CCNC(=O)C3)cc2)CC1 ZINC000596978046 343428814 /nfs/dbraw/zinc/42/88/14/343428814.db2.gz SGGGEYOOPXBNCV-UHFFFAOYSA-N 1 2 255.321 1.174 10 30 CDEELO C=CCCCS(=O)(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000644197716 365772279 /nfs/dbraw/zinc/77/22/79/365772279.db2.gz ZISHXTGCDLDQLS-UHFFFAOYSA-N 1 2 269.370 1.303 10 30 CDEELO CC1(C)C[C@@]1(C#N)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597670176 343601473 /nfs/dbraw/zinc/60/14/73/343601473.db2.gz MLICRRTWUBGKJT-OTYXRUKQSA-N 1 2 258.325 1.323 10 30 CDEELO CC1(C)C[C@@]1(C#N)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597670176 343601474 /nfs/dbraw/zinc/60/14/74/343601474.db2.gz MLICRRTWUBGKJT-OTYXRUKQSA-N 1 2 258.325 1.323 10 30 CDEELO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1noc(C2CC2)n1 ZINC000598727334 343886472 /nfs/dbraw/zinc/88/64/72/343886472.db2.gz WKTVRWUFWSLCLY-JTQLQIEISA-N 1 2 264.329 1.337 10 30 CDEELO N#Cc1ccc(CN2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000599423440 344053662 /nfs/dbraw/zinc/05/36/62/344053662.db2.gz XPHKYMSXXVNKOU-UHFFFAOYSA-N 1 2 283.291 1.748 10 30 CDEELO CN(Cc1ccccc1)C1C[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000601955665 344294231 /nfs/dbraw/zinc/29/42/31/344294231.db2.gz AEESCEYJPWEVEH-QGZVFWFLSA-N 1 2 299.418 1.857 10 30 CDEELO Cc1cc(C#N)cc(N(C)C[C@@H]2C[N@H+](C)CCO2)n1 ZINC000601114073 349909607 /nfs/dbraw/zinc/90/96/07/349909607.db2.gz VUIDGGTUCDRHMH-ZDUSSCGKSA-N 1 2 260.341 1.029 10 30 CDEELO Cc1cc(C#N)cc(N(C)C[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000601114073 349909611 /nfs/dbraw/zinc/90/96/11/349909611.db2.gz VUIDGGTUCDRHMH-ZDUSSCGKSA-N 1 2 260.341 1.029 10 30 CDEELO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908462 344644856 /nfs/dbraw/zinc/64/48/56/344644856.db2.gz RIOVUPMHIVBRSM-HNNXBMFYSA-N 1 2 285.347 1.860 10 30 CDEELO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000344360283 362573619 /nfs/dbraw/zinc/57/36/19/362573619.db2.gz WWJHRNBOWHZLBP-GJZGRUSLSA-N 1 2 278.327 1.933 10 30 CDEELO COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(F)cc1C#N ZINC000344360283 362573631 /nfs/dbraw/zinc/57/36/31/362573631.db2.gz WWJHRNBOWHZLBP-GJZGRUSLSA-N 1 2 278.327 1.933 10 30 CDEELO C=CCCOCC(=O)NCc1[nH+]ccn1CC(C)C ZINC000607670453 345402208 /nfs/dbraw/zinc/40/22/08/345402208.db2.gz IDKOMSHCQSIUHW-UHFFFAOYSA-N 1 2 265.357 1.748 10 30 CDEELO N#Cc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cn1 ZINC000609661906 345986962 /nfs/dbraw/zinc/98/69/62/345986962.db2.gz AKVVWDKSNRFUPW-AWEZNQCLSA-N 1 2 281.319 1.627 10 30 CDEELO C=CCCCCCNC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000584665199 346387100 /nfs/dbraw/zinc/38/71/00/346387100.db2.gz CYHLOWXBGVPXLH-UHFFFAOYSA-N 1 2 276.340 1.295 10 30 CDEELO N#C[C@H]1C[NH2+]CCN1Cc1ccc(Br)s1 ZINC000085804082 179174800 /nfs/dbraw/zinc/17/48/00/179174800.db2.gz DIZKLLKIEPMURH-QMMMGPOBSA-N 1 2 286.198 1.808 10 30 CDEELO N#C[C@H]1C[NH2+]CCN1Cc1ccc(Br)cc1 ZINC000085805333 179175480 /nfs/dbraw/zinc/17/54/80/179175480.db2.gz SKYHZKBLTDJYQX-LBPRGKRZSA-N 1 2 280.169 1.746 10 30 CDEELO CCC1(CC)C[N@H+](CC#CCOC)CC[S@@]1=O ZINC000613584810 347793650 /nfs/dbraw/zinc/79/36/50/347793650.db2.gz PCEOEVCTZKUGKC-KRWDZBQOSA-N 1 2 257.399 1.259 10 30 CDEELO CCC1(CC)C[N@@H+](CC#CCOC)CC[S@@]1=O ZINC000613584810 347793652 /nfs/dbraw/zinc/79/36/52/347793652.db2.gz PCEOEVCTZKUGKC-KRWDZBQOSA-N 1 2 257.399 1.259 10 30 CDEELO C=CC(C)(C)CCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000623633757 348476834 /nfs/dbraw/zinc/47/68/34/348476834.db2.gz BNVNOAGXSYJBOG-KBPBESRZSA-N 1 2 297.443 1.997 10 30 CDEELO Cn1cc(NC(=O)NC[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000328619840 351304301 /nfs/dbraw/zinc/30/43/01/351304301.db2.gz GHJLMBNYXUGENU-JTQLQIEISA-N 1 2 274.328 1.205 10 30 CDEELO CN1CCN(C(=O)c2cccc(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328644330 351312739 /nfs/dbraw/zinc/31/27/39/351312739.db2.gz ZCTJCBGQWFGTBY-AWEZNQCLSA-N 1 2 295.346 1.410 10 30 CDEELO CN(C)c1ncnc2c1C[N@H+](Cc1cccc(C#N)c1)CC2 ZINC000065520798 363302202 /nfs/dbraw/zinc/30/22/02/363302202.db2.gz ASAYQKHFOIKEMY-UHFFFAOYSA-N 1 2 293.374 1.973 10 30 CDEELO CN(C)c1ncnc2c1C[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC000065520798 363302206 /nfs/dbraw/zinc/30/22/06/363302206.db2.gz ASAYQKHFOIKEMY-UHFFFAOYSA-N 1 2 293.374 1.973 10 30 CDEELO CC[N@@H+]1CCO[C@H](CNCc2ccc(C#N)cc2F)C1 ZINC000134616132 356360458 /nfs/dbraw/zinc/36/04/58/356360458.db2.gz SPMAAIXTBOHHPD-CQSZACIVSA-N 1 2 277.343 1.508 10 30 CDEELO CC[N@H+]1CCO[C@H](CNCc2ccc(C#N)cc2F)C1 ZINC000134616132 356360463 /nfs/dbraw/zinc/36/04/63/356360463.db2.gz SPMAAIXTBOHHPD-CQSZACIVSA-N 1 2 277.343 1.508 10 30 CDEELO N#Cc1cnccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000545239989 363509337 /nfs/dbraw/zinc/50/93/37/363509337.db2.gz PGAUXXFCGAKKJS-UHFFFAOYSA-N 1 2 279.347 1.670 10 30 CDEELO COc1ccc(C(=O)N(O)C[NH+]2CCCCC2)cc1 ZINC000031982230 356772830 /nfs/dbraw/zinc/77/28/30/356772830.db2.gz PEHAXVYPELDNPJ-UHFFFAOYSA-N 1 2 264.325 1.970 10 30 CDEELO CC(C)NC(=O)NCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000563061745 357724758 /nfs/dbraw/zinc/72/47/58/357724758.db2.gz RWCRAEQNWIIUEX-LLVKDONJSA-N 1 2 252.362 1.318 10 30 CDEELO CC(C)NC(=O)NCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000563061745 357724762 /nfs/dbraw/zinc/72/47/62/357724762.db2.gz RWCRAEQNWIIUEX-LLVKDONJSA-N 1 2 252.362 1.318 10 30 CDEELO C=CCC(F)(F)C(=O)NCc1c[nH+]ccc1OC ZINC000294575494 199093289 /nfs/dbraw/zinc/09/32/89/199093289.db2.gz LLSCVSBEVMIQKC-UHFFFAOYSA-N 1 2 256.252 1.918 10 30 CDEELO C[N@H+](CCN1CCCC1=O)Cc1ccncc1C#N ZINC000592070268 358584390 /nfs/dbraw/zinc/58/43/90/358584390.db2.gz JAXZWYDMCQGDBA-UHFFFAOYSA-N 1 2 258.325 1.007 10 30 CDEELO C[N@@H+](CCN1CCCC1=O)Cc1ccncc1C#N ZINC000592070268 358584392 /nfs/dbraw/zinc/58/43/92/358584392.db2.gz JAXZWYDMCQGDBA-UHFFFAOYSA-N 1 2 258.325 1.007 10 30 CDEELO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(C#N)o1 ZINC000539502476 359016533 /nfs/dbraw/zinc/01/65/33/359016533.db2.gz RAGCFFCUPNDABO-AWEZNQCLSA-N 1 2 272.304 1.983 10 30 CDEELO C#CCCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000265069795 359321558 /nfs/dbraw/zinc/32/15/58/359321558.db2.gz NTBPYMFZCXNUBH-UHFFFAOYSA-N 1 2 272.352 1.504 10 30 CDEELO C=CC[N@@H+](C[C@H]1CC(C)(C)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000639531777 363650854 /nfs/dbraw/zinc/65/08/54/363650854.db2.gz PUQPMKWMPYJRCI-CHWSQXEVSA-N 1 2 287.425 1.477 10 30 CDEELO C=CC[N@H+](C[C@H]1CC(C)(C)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000639531777 363650860 /nfs/dbraw/zinc/65/08/60/363650860.db2.gz PUQPMKWMPYJRCI-CHWSQXEVSA-N 1 2 287.425 1.477 10 30 CDEELO C=CC(C)(C)CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637325606 359730043 /nfs/dbraw/zinc/73/00/43/359730043.db2.gz XNTZOJOSRWEROZ-NSHDSACASA-N 1 2 262.357 1.709 10 30 CDEELO N#C[C@@H](c1ccccc1)N1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000336860154 359923965 /nfs/dbraw/zinc/92/39/65/359923965.db2.gz OEBIJPBCVLYRKQ-HOTGVXAUSA-N 1 2 298.390 1.147 10 30 CDEELO N#C[C@H](c1ccccc1)N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000336860155 359923974 /nfs/dbraw/zinc/92/39/74/359923974.db2.gz OEBIJPBCVLYRKQ-HZPDHXFCSA-N 1 2 298.390 1.147 10 30 CDEELO C=CCCC(=O)N(C)C1CC[NH+](Cc2cnns2)CC1 ZINC001660764655 1172273681 /nfs/dbraw/zinc/27/36/81/1172273681.db2.gz FPYVNMDAOBWBCZ-UHFFFAOYSA-N 1 2 294.424 1.927 10 30 CDEELO CC#CCN1CC[NH+](CCNC(=O)[C@H]2CC=CCC2)CC1 ZINC001660912941 1172295840 /nfs/dbraw/zinc/29/58/40/1172295840.db2.gz GCPWKWSOMBDPSU-INIZCTEOSA-N 1 2 289.423 1.100 10 30 CDEELO C[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)CC(C)(C)C#N ZINC000433302567 361230382 /nfs/dbraw/zinc/23/03/82/361230382.db2.gz JDNXEJLHTDCGPU-UONOGXRCSA-N 1 2 293.411 1.638 10 30 CDEELO C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)CC(C)(C)C#N ZINC000433302567 361230384 /nfs/dbraw/zinc/23/03/84/361230384.db2.gz JDNXEJLHTDCGPU-UONOGXRCSA-N 1 2 293.411 1.638 10 30 CDEELO N#Cc1ccc([C@H](O)C[N@@H+]2CCOC[C@]23CCOC3)cc1 ZINC000249405894 364677016 /nfs/dbraw/zinc/67/70/16/364677016.db2.gz CMACBVPWMVKNEH-HZPDHXFCSA-N 1 2 288.347 1.083 10 30 CDEELO N#Cc1ccc([C@H](O)C[N@H+]2CCOC[C@]23CCOC3)cc1 ZINC000249405894 364677018 /nfs/dbraw/zinc/67/70/18/364677018.db2.gz 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/nfs/dbraw/zinc/20/23/84/936202384.db2.gz FZMYLDHXGDTEFX-UHFFFAOYSA-N 1 2 260.341 1.677 10 30 CDEELO C=C(CC)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001123941894 936251615 /nfs/dbraw/zinc/25/16/15/936251615.db2.gz BKRVLNOZQCOZEM-UHFFFAOYSA-N 1 2 253.371 1.787 10 30 CDEELO C#CCCCC(=O)N[C@@H](C[NH2+]Cc1cnsn1)C1CC1 ZINC001276573627 940362436 /nfs/dbraw/zinc/36/24/36/940362436.db2.gz APRAAKKDUZOPKZ-ZDUSSCGKSA-N 1 2 292.408 1.326 10 30 CDEELO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)C(C)(F)F ZINC001276924130 941702128 /nfs/dbraw/zinc/70/21/28/941702128.db2.gz SEFPRDZBORCIMP-NWDGAFQWSA-N 1 2 288.338 1.118 10 30 CDEELO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)C(C)(F)F ZINC001276924130 941702131 /nfs/dbraw/zinc/70/21/31/941702131.db2.gz SEFPRDZBORCIMP-NWDGAFQWSA-N 1 2 288.338 1.118 10 30 CDEELO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc(F)cc1 ZINC001276971070 941752468 /nfs/dbraw/zinc/75/24/68/941752468.db2.gz XOQOIOPYVRVFPW-CQSZACIVSA-N 1 2 290.338 1.418 10 30 CDEELO CC#CC[N@H+]1CC[C@@H]1CNC(=O)COc1ccc(F)cc1 ZINC001276971070 941752471 /nfs/dbraw/zinc/75/24/71/941752471.db2.gz XOQOIOPYVRVFPW-CQSZACIVSA-N 1 2 290.338 1.418 10 30 CDEELO N#Cc1ccnc(C[N@@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)c1 ZINC001473840898 970864056 /nfs/dbraw/zinc/86/40/56/970864056.db2.gz PEKBZUMFEBJODJ-HOCLYGCPSA-N 1 2 287.363 1.581 10 30 CDEELO N#Cc1ccnc(C[N@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)c1 ZINC001473840898 970864066 /nfs/dbraw/zinc/86/40/66/970864066.db2.gz PEKBZUMFEBJODJ-HOCLYGCPSA-N 1 2 287.363 1.581 10 30 CDEELO CC(C)(C)C#CC(=O)NC[C@@H]1COCC[N@@H+]1CC1CC1 ZINC001280406230 942434187 /nfs/dbraw/zinc/43/41/87/942434187.db2.gz LDKJMMDNXIDGNT-CQSZACIVSA-N 1 2 278.396 1.263 10 30 CDEELO CC(C)(C)C#CC(=O)NC[C@@H]1COCC[N@H+]1CC1CC1 ZINC001280406230 942434189 /nfs/dbraw/zinc/43/41/89/942434189.db2.gz LDKJMMDNXIDGNT-CQSZACIVSA-N 1 2 278.396 1.263 10 30 CDEELO CO[C@H](C)C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001277382095 942462092 /nfs/dbraw/zinc/46/20/92/942462092.db2.gz GATRSGCLJVYTEH-GFCCVEGCSA-N 1 2 279.384 1.248 10 30 CDEELO CO[C@H](C)C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001277382095 942462094 /nfs/dbraw/zinc/46/20/94/942462094.db2.gz GATRSGCLJVYTEH-GFCCVEGCSA-N 1 2 279.384 1.248 10 30 CDEELO C#CCC[NH+]1CC(CCO)(NC(=O)CC(C)(C)C2CC2)C1 ZINC001282510925 942724567 /nfs/dbraw/zinc/72/45/67/942724567.db2.gz JDVWDSPXWZOYOH-UHFFFAOYSA-N 1 2 292.423 1.389 10 30 CDEELO CN(C(=O)C#CC1CC1)C1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001277594199 943079640 /nfs/dbraw/zinc/07/96/40/943079640.db2.gz VJOFQYJFERRHOR-QGZVFWFLSA-N 1 2 298.386 1.276 10 30 CDEELO C=C[C@@H](CC)CC(=O)N(C)C1C[NH+](CCOCC)C1 ZINC001277645930 943212490 /nfs/dbraw/zinc/21/24/90/943212490.db2.gz ZSMBVQPLFCOKKZ-ZDUSSCGKSA-N 1 2 268.401 1.768 10 30 CDEELO Cn1ccnc1C[N@H+]1CC=C(CNC(=O)C#CC2CC2)CC1 ZINC001284909033 943287233 /nfs/dbraw/zinc/28/72/33/943287233.db2.gz HDLLTOXHPBYTAJ-UHFFFAOYSA-N 1 2 298.390 1.082 10 30 CDEELO Cn1ccnc1C[N@@H+]1CC=C(CNC(=O)C#CC2CC2)CC1 ZINC001284909033 943287235 /nfs/dbraw/zinc/28/72/35/943287235.db2.gz HDLLTOXHPBYTAJ-UHFFFAOYSA-N 1 2 298.390 1.082 10 30 CDEELO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C#CC3CC3)C2)o1 ZINC001265284475 944321178 /nfs/dbraw/zinc/32/11/78/944321178.db2.gz QNGHTDXVHRSVCJ-CYBMUJFWSA-N 1 2 273.336 1.087 10 30 CDEELO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C#CC3CC3)C2)o1 ZINC001265284475 944321184 /nfs/dbraw/zinc/32/11/84/944321184.db2.gz QNGHTDXVHRSVCJ-CYBMUJFWSA-N 1 2 273.336 1.087 10 30 CDEELO C=CCOCC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001265905175 944565088 /nfs/dbraw/zinc/56/50/88/944565088.db2.gz CAKGPCFDWZUGGT-UWVGGRQHSA-N 1 2 298.280 1.280 10 30 CDEELO C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001265905175 944565092 /nfs/dbraw/zinc/56/50/92/944565092.db2.gz CAKGPCFDWZUGGT-UWVGGRQHSA-N 1 2 298.280 1.280 10 30 CDEELO N#CCOc1ccc(NC(=O)Cn2cc[nH+]c2)cc1 ZINC000394058155 944684353 /nfs/dbraw/zinc/68/43/53/944684353.db2.gz VKMJIMBWXFNBJS-UHFFFAOYSA-N 1 2 256.265 1.424 10 30 CDEELO COc1cc(C(=O)NCc2[nH]c[nH+]c2C)ccc1C#N ZINC001362375811 971206093 /nfs/dbraw/zinc/20/60/93/971206093.db2.gz BEJVPSGZXPDQEX-UHFFFAOYSA-N 1 2 270.292 1.528 10 30 CDEELO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001479948396 971501664 /nfs/dbraw/zinc/50/16/64/971501664.db2.gz NPKRTYFPNJGYGM-AWEZNQCLSA-N 1 2 277.343 1.877 10 30 CDEELO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001479948396 971501671 /nfs/dbraw/zinc/50/16/71/971501671.db2.gz NPKRTYFPNJGYGM-AWEZNQCLSA-N 1 2 277.343 1.877 10 30 CDEELO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COCC1CCCC1 ZINC001480097977 971573891 /nfs/dbraw/zinc/57/38/91/971573891.db2.gz JAFIXPZWMSUULI-IYBDPMFKSA-N 1 2 290.407 1.502 10 30 CDEELO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COCC1CCCC1 ZINC001480097977 971573893 /nfs/dbraw/zinc/57/38/93/971573893.db2.gz JAFIXPZWMSUULI-IYBDPMFKSA-N 1 2 290.407 1.502 10 30 CDEELO C=C1CC(C)(C(=O)N[C@H](C)C[N@H+](C)Cc2ccn(C)n2)C1 ZINC001569138198 1169683896 /nfs/dbraw/zinc/68/38/96/1169683896.db2.gz QCYTWCZZKZSDEY-CYBMUJFWSA-N 1 2 290.411 1.713 10 30 CDEELO C=C1CC(C)(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccn(C)n2)C1 ZINC001569138198 1169683903 /nfs/dbraw/zinc/68/39/03/1169683903.db2.gz QCYTWCZZKZSDEY-CYBMUJFWSA-N 1 2 290.411 1.713 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](CC)CCCC)C1 ZINC001325183833 953764667 /nfs/dbraw/zinc/76/46/67/953764667.db2.gz DGLCSRHSYAAKTD-CQSZACIVSA-N 1 2 282.428 1.942 10 30 CDEELO C=CC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001287730936 953856957 /nfs/dbraw/zinc/85/69/57/953856957.db2.gz GYVHDCXCUDJPHW-LLVKDONJSA-N 1 2 292.383 1.128 10 30 CDEELO CC(C)c1[nH]cc(CNC(=O)[C@H](O)c2ccc(C#N)cc2)[nH+]1 ZINC001364301039 954440776 /nfs/dbraw/zinc/44/07/76/954440776.db2.gz QZCSAYSPIOZYLY-CQSZACIVSA-N 1 2 298.346 1.755 10 30 CDEELO CC(C)c1[nH]c(CNC(=O)[C@H](O)c2ccc(C#N)cc2)c[nH+]1 ZINC001364301039 954440787 /nfs/dbraw/zinc/44/07/87/954440787.db2.gz QZCSAYSPIOZYLY-CQSZACIVSA-N 1 2 298.346 1.755 10 30 CDEELO CC/C=C\CC[N@@H+]1CCOC[C@@H]1CNC(=O)C#CC(C)C ZINC001326632312 954465656 /nfs/dbraw/zinc/46/56/56/954465656.db2.gz HTWMHKYWVYNLHD-KJPDOMRESA-N 1 2 292.423 1.819 10 30 CDEELO CC/C=C\CC[N@H+]1CCOC[C@@H]1CNC(=O)C#CC(C)C ZINC001326632312 954465661 /nfs/dbraw/zinc/46/56/61/954465661.db2.gz HTWMHKYWVYNLHD-KJPDOMRESA-N 1 2 292.423 1.819 10 30 CDEELO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)/C(C)=C/CC)C2)C1 ZINC001330150035 956291750 /nfs/dbraw/zinc/29/17/50/956291750.db2.gz ZWEQJRXDRHNKPZ-CQMBDMNQSA-N 1 2 276.380 1.279 10 30 CDEELO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)/C(C)=C/CC)C2)C1 ZINC001330150035 956291739 /nfs/dbraw/zinc/29/17/39/956291739.db2.gz ZWEQJRXDRHNKPZ-CQMBDMNQSA-N 1 2 276.380 1.279 10 30 CDEELO Cc1conc1C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001366201340 956635953 /nfs/dbraw/zinc/63/59/53/956635953.db2.gz LQGVQFNXJUWILN-WCQYABFASA-N 1 2 290.367 1.613 10 30 CDEELO Cc1conc1C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001366201340 956635959 /nfs/dbraw/zinc/63/59/59/956635959.db2.gz LQGVQFNXJUWILN-WCQYABFASA-N 1 2 290.367 1.613 10 30 CDEELO C=CCCC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C)n(C)n1 ZINC001317498867 956734458 /nfs/dbraw/zinc/73/44/58/956734458.db2.gz WXPVJBAWEXOWFL-OAHLLOKOSA-N 1 2 290.411 1.775 10 30 CDEELO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C)n(C)n1 ZINC001317498867 956734464 /nfs/dbraw/zinc/73/44/64/956734464.db2.gz WXPVJBAWEXOWFL-OAHLLOKOSA-N 1 2 290.411 1.775 10 30 CDEELO C=C(Cl)CN1CC(N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001423394565 956759684 /nfs/dbraw/zinc/75/96/84/956759684.db2.gz AMPHKVKLPXLZHO-UHFFFAOYSA-N 1 2 296.802 1.248 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)[C@]2(C)CCC[C@H]2C)C1 ZINC001494441451 972233724 /nfs/dbraw/zinc/23/37/24/972233724.db2.gz MDDNAOQHUCJDIR-CZUORRHYSA-N 1 2 280.412 1.816 10 30 CDEELO C=CCC1(C(=O)NC2C[NH+](CC)C2)CCOCC1 ZINC001494489676 972241983 /nfs/dbraw/zinc/24/19/83/972241983.db2.gz RFBLFCCOETWBHP-UHFFFAOYSA-N 1 2 252.358 1.180 10 30 CDEELO C=CCCC(=O)N(C)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001316931972 957133001 /nfs/dbraw/zinc/13/30/01/957133001.db2.gz QUZVIWAAYHTHRB-UHFFFAOYSA-N 1 2 291.399 1.204 10 30 CDEELO CC#CCN1CC[NH+](CCNC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001316964709 957156499 /nfs/dbraw/zinc/15/64/99/957156499.db2.gz HKZBVVJRAKGEPZ-HNNXBMFYSA-N 1 2 293.455 1.426 10 30 CDEELO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001316987424 957185909 /nfs/dbraw/zinc/18/59/09/957185909.db2.gz XHNYPLLMUAHTEM-LBPRGKRZSA-N 1 2 293.367 1.730 10 30 CDEELO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001316987424 957185919 /nfs/dbraw/zinc/18/59/19/957185919.db2.gz XHNYPLLMUAHTEM-LBPRGKRZSA-N 1 2 293.367 1.730 10 30 CDEELO C=C(Cl)C[N@H+](C)CCNC(=O)c1[nH]ccc1C ZINC001317445141 957474708 /nfs/dbraw/zinc/47/47/08/957474708.db2.gz XZYIBFBYKBUZNJ-UHFFFAOYSA-N 1 2 255.749 1.737 10 30 CDEELO C=C(Cl)C[N@@H+](C)CCNC(=O)c1[nH]ccc1C ZINC001317445141 957474711 /nfs/dbraw/zinc/47/47/11/957474711.db2.gz XZYIBFBYKBUZNJ-UHFFFAOYSA-N 1 2 255.749 1.737 10 30 CDEELO C=C1CC(C)(C(=O)N(C)CC[NH2+]Cc2nnc(CC)o2)C1 ZINC001317631098 957610126 /nfs/dbraw/zinc/61/01/26/957610126.db2.gz BAEGKEPLNTWJIG-UHFFFAOYSA-N 1 2 292.383 1.536 10 30 CDEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](CC(C)C)OC)C1 ZINC001319321109 958498965 /nfs/dbraw/zinc/49/89/65/958498965.db2.gz ATQNMQBFEJUOPG-GJZGRUSLSA-N 1 2 298.427 1.441 10 30 CDEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](CC(C)C)OC)C1 ZINC001319321109 958498973 /nfs/dbraw/zinc/49/89/73/958498973.db2.gz ATQNMQBFEJUOPG-GJZGRUSLSA-N 1 2 298.427 1.441 10 30 CDEELO C[C@]1(NC(=O)C(F)F)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001368146654 958664432 /nfs/dbraw/zinc/66/44/32/958664432.db2.gz QRNKOGHVOOLYNU-ZDUSSCGKSA-N 1 2 299.346 1.965 10 30 CDEELO C[C@]1(NC(=O)C(F)F)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001368146654 958664441 /nfs/dbraw/zinc/66/44/41/958664441.db2.gz QRNKOGHVOOLYNU-ZDUSSCGKSA-N 1 2 299.346 1.965 10 30 CDEELO Cc1nnc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)n1C ZINC001335520147 959861603 /nfs/dbraw/zinc/86/16/03/959861603.db2.gz HXZQNKVYZOLERM-VIFPVBQESA-N 1 2 271.324 1.552 10 30 CDEELO Cc1nnsc1C[N@H+]1CCC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001369797639 959873143 /nfs/dbraw/zinc/87/31/43/959873143.db2.gz JPPWGZXCHHKNDW-KOLCDFICSA-N 1 2 293.396 1.087 10 30 CDEELO Cc1nnsc1C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001369797639 959873157 /nfs/dbraw/zinc/87/31/57/959873157.db2.gz JPPWGZXCHHKNDW-KOLCDFICSA-N 1 2 293.396 1.087 10 30 CDEELO CC(C)C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001323180662 960508046 /nfs/dbraw/zinc/50/80/46/960508046.db2.gz DQZOBZIBJKXDIJ-INIZCTEOSA-N 1 2 270.376 1.885 10 30 CDEELO CC(C)C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001323180662 960508056 /nfs/dbraw/zinc/50/80/56/960508056.db2.gz DQZOBZIBJKXDIJ-INIZCTEOSA-N 1 2 270.376 1.885 10 30 CDEELO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[C@@H](C)OC)C1 ZINC001419157354 961442142 /nfs/dbraw/zinc/44/21/42/961442142.db2.gz MLDPKXZYFBEZNF-VXGBXAGGSA-N 1 2 274.792 1.745 10 30 CDEELO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[C@@H](C)OC)C1 ZINC001419157354 961442151 /nfs/dbraw/zinc/44/21/51/961442151.db2.gz MLDPKXZYFBEZNF-VXGBXAGGSA-N 1 2 274.792 1.745 10 30 CDEELO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCOCC1 ZINC001419967389 962300301 /nfs/dbraw/zinc/30/03/01/962300301.db2.gz 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C#CCC[NH+]1CC(NC(=O)CCc2cccc(N(C)C)c2)C1 ZINC001665184699 1172958691 /nfs/dbraw/zinc/95/86/91/1172958691.db2.gz WVDBVWGAHCINQF-UHFFFAOYSA-N 1 2 299.418 1.509 10 30 CDEELO C=C(Cl)C[NH+]1CC(CNC(=O)CCCCOC)C1 ZINC001665258793 1172970485 /nfs/dbraw/zinc/97/04/85/1172970485.db2.gz WGDBOYLFEZZOEP-UHFFFAOYSA-N 1 2 274.792 1.604 10 30 CDEELO Cc1nnc(C[NH2+]C/C=C\CNC(=O)C#CC(C)C)s1 ZINC001668814672 1173468243 /nfs/dbraw/zinc/46/82/43/1173468243.db2.gz CWSYUKQCHJTMQR-PLNGDYQASA-N 1 2 292.408 1.268 10 30 CDEELO CCc1[nH]c(CNC(=O)c2ccc(C#N)c(C)n2)c[nH+]1 ZINC001597251590 1174264181 /nfs/dbraw/zinc/26/41/81/1174264181.db2.gz YKZUMVPNSVALJH-UHFFFAOYSA-N 1 2 269.308 1.477 10 30 CDEELO CCc1[nH]cc(CNC(=O)c2ccc(C#N)c(C)n2)[nH+]1 ZINC001597251590 1174264186 /nfs/dbraw/zinc/26/41/86/1174264186.db2.gz YKZUMVPNSVALJH-UHFFFAOYSA-N 1 2 269.308 1.477 10 30 CDEELO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCOc1ccccc1 ZINC001690215326 1175405942 /nfs/dbraw/zinc/40/59/42/1175405942.db2.gz KFKGHIQLMMCDDK-IYBDPMFKSA-N 1 2 298.386 1.764 10 30 CDEELO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCOc1ccccc1 ZINC001690215326 1175405943 /nfs/dbraw/zinc/40/59/43/1175405943.db2.gz KFKGHIQLMMCDDK-IYBDPMFKSA-N 1 2 298.386 1.764 10 30 CDEELO C[C@@H](CC(=O)NC[C@@H]1CCCCN1CC#N)n1cc[nH+]c1 ZINC001690454804 1175473912 /nfs/dbraw/zinc/47/39/12/1175473912.db2.gz MWCRMUNLUPZQNU-KBPBESRZSA-N 1 2 289.383 1.328 10 30 CDEELO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)Cc1cncs1 ZINC001690938286 1175619401 /nfs/dbraw/zinc/61/94/01/1175619401.db2.gz HKDOXRGNWMUGFP-CYBMUJFWSA-N 1 2 283.397 1.018 10 30 CDEELO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C)Cc1cncs1 ZINC001690938286 1175619397 /nfs/dbraw/zinc/61/93/97/1175619397.db2.gz HKDOXRGNWMUGFP-CYBMUJFWSA-N 1 2 283.397 1.018 10 30 CDEELO C=CCOCCCC(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001692184107 1175695370 /nfs/dbraw/zinc/69/53/70/1175695370.db2.gz HIRREPDLQQVAGT-ZFWWWQNUSA-N 1 2 296.411 1.337 10 30 CDEELO C=CCC(C)(C)C(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001692238409 1175712604 /nfs/dbraw/zinc/71/26/04/1175712604.db2.gz FWGVAMNGBPLRDL-JSGCOSHPSA-N 1 2 280.412 1.957 10 30 CDEELO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)CC(C)C)C1=O ZINC001699616953 1176507136 /nfs/dbraw/zinc/50/71/36/1176507136.db2.gz AVTQHHJEZXQSOL-ZIAGYGMSSA-N 1 2 293.411 1.010 10 30 CDEELO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)CC(C)C)C1=O ZINC001699616953 1176507141 /nfs/dbraw/zinc/50/71/41/1176507141.db2.gz AVTQHHJEZXQSOL-ZIAGYGMSSA-N 1 2 293.411 1.010 10 30 CDEELO O=C(C#CC1CC1)NC[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001699621432 1176518033 /nfs/dbraw/zinc/51/80/33/1176518033.db2.gz GXADQRCNYREOKH-QLUOWFOFSA-N 1 2 252.745 1.343 10 30 CDEELO O=C(C#CC1CC1)NC[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001699621432 1176518037 /nfs/dbraw/zinc/51/80/37/1176518037.db2.gz GXADQRCNYREOKH-QLUOWFOFSA-N 1 2 252.745 1.343 10 30 CDEELO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)C#CC2CC2)CC1 ZINC001700336016 1176857918 /nfs/dbraw/zinc/85/79/18/1176857918.db2.gz KOPQJESSCXJZCA-UHFFFAOYSA-N 1 2 296.798 1.095 10 30 CDEELO C[C@@H](CC(=O)N(C)CC(C)(C)CNCC#N)n1cc[nH+]c1 ZINC001700446537 1176931936 /nfs/dbraw/zinc/93/19/36/1176931936.db2.gz QESSMSHKIUGUMP-ZDUSSCGKSA-N 1 2 291.399 1.432 10 30 CDEELO CC#CC[N@H+](C)[C@H](C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001700467350 1176956161 /nfs/dbraw/zinc/95/61/61/1176956161.db2.gz OXYWTHCSBMBPQU-GFCCVEGCSA-N 1 2 288.395 1.362 10 30 CDEELO CC#CC[N@@H+](C)[C@H](C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001700467350 1176956164 /nfs/dbraw/zinc/95/61/64/1176956164.db2.gz OXYWTHCSBMBPQU-GFCCVEGCSA-N 1 2 288.395 1.362 10 30 CDEELO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C(F)C(F)(F)F)C1 ZINC001700541750 1177007694 /nfs/dbraw/zinc/00/76/94/1177007694.db2.gz VIBQDIPPBDEYGA-SCZZXKLOSA-N 1 2 282.281 1.899 10 30 CDEELO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001700541750 1177007702 /nfs/dbraw/zinc/00/77/02/1177007702.db2.gz VIBQDIPPBDEYGA-SCZZXKLOSA-N 1 2 282.281 1.899 10 30 CDEELO C=CCCCC(=O)N[C@@H](C)C1C[NH+](Cc2ccn(C)n2)C1 ZINC001700544486 1177007755 /nfs/dbraw/zinc/00/77/55/1177007755.db2.gz BDFWASYUKASPMC-ZDUSSCGKSA-N 1 2 290.411 1.713 10 30 CDEELO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001700564610 1177014321 /nfs/dbraw/zinc/01/43/21/1177014321.db2.gz WVXFTGXXRCTHHK-MRXNPFEDSA-N 1 2 278.396 1.503 10 30 CDEELO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001700564610 1177014331 /nfs/dbraw/zinc/01/43/31/1177014331.db2.gz WVXFTGXXRCTHHK-MRXNPFEDSA-N 1 2 278.396 1.503 10 30 CDEELO C=CCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1csnn1 ZINC001700741511 1177104648 /nfs/dbraw/zinc/10/46/48/1177104648.db2.gz RJNCITIHNHXYNP-SNVBAGLBSA-N 1 2 268.386 1.441 10 30 CDEELO CC#CC[N@@H+]1CC[C@H]1CNC(=O)COCC1CCCC1 ZINC001723432225 1178125049 /nfs/dbraw/zinc/12/50/49/1178125049.db2.gz CKXXNQAMJUFPED-HNNXBMFYSA-N 1 2 278.396 1.407 10 30 CDEELO CC#CC[N@H+]1CC[C@H]1CNC(=O)COCC1CCCC1 ZINC001723432225 1178125052 /nfs/dbraw/zinc/12/50/52/1178125052.db2.gz CKXXNQAMJUFPED-HNNXBMFYSA-N 1 2 278.396 1.407 10 30 CDEELO C=CCN1CC[NH+](CCNC(=O)C=C2CCCCC2)CC1 ZINC001713073022 1178344661 /nfs/dbraw/zinc/34/46/61/1178344661.db2.gz VXWGFEHGDXLDNS-UHFFFAOYSA-N 1 2 291.439 1.797 10 30 CDEELO C#CCN1CC[NH+](CCNC(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC001713075325 1178345215 /nfs/dbraw/zinc/34/52/15/1178345215.db2.gz CPIUKZICGXBOJI-HOTGVXAUSA-N 1 2 291.439 1.180 10 30 CDEELO CCCCNC(=O)C[N@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001713451168 1178571785 /nfs/dbraw/zinc/57/17/85/1178571785.db2.gz DHPYDCBVCYLMSC-UHFFFAOYSA-N 1 2 295.427 1.000 10 30 CDEELO CCCCNC(=O)C[N@@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001713451168 1178571787 /nfs/dbraw/zinc/57/17/87/1178571787.db2.gz DHPYDCBVCYLMSC-UHFFFAOYSA-N 1 2 295.427 1.000 10 30 CDEELO CC#CC[N@H+](CC)CCNC(=O)C(F)C(F)(F)F ZINC001713485035 1178601697 /nfs/dbraw/zinc/60/16/97/1178601697.db2.gz FBGVFMZFCHWRQP-SECBINFHSA-N 1 2 268.254 1.348 10 30 CDEELO CC#CC[N@@H+](CC)CCNC(=O)C(F)C(F)(F)F ZINC001713485035 1178601707 /nfs/dbraw/zinc/60/17/07/1178601707.db2.gz FBGVFMZFCHWRQP-SECBINFHSA-N 1 2 268.254 1.348 10 30 CDEELO CC#CC[N@H+](CC)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001713485035 1178601714 /nfs/dbraw/zinc/60/17/14/1178601714.db2.gz FBGVFMZFCHWRQP-SECBINFHSA-N 1 2 268.254 1.348 10 30 CDEELO CC#CC[N@@H+](CC)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001713485035 1178601719 /nfs/dbraw/zinc/60/17/19/1178601719.db2.gz FBGVFMZFCHWRQP-SECBINFHSA-N 1 2 268.254 1.348 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC001713534573 1178631759 /nfs/dbraw/zinc/63/17/59/1178631759.db2.gz UDFPVRYEYRPAHG-LBPRGKRZSA-N 1 2 292.383 1.528 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC001713534573 1178631766 /nfs/dbraw/zinc/63/17/66/1178631766.db2.gz UDFPVRYEYRPAHG-LBPRGKRZSA-N 1 2 292.383 1.528 10 30 CDEELO C=CCCC(=O)NC[C@@H]([NH2+]Cc1cnsn1)C1CC1 ZINC001713862991 1178797761 /nfs/dbraw/zinc/79/77/61/1178797761.db2.gz ZWOLOSQVUULFRY-GFCCVEGCSA-N 1 2 280.397 1.489 10 30 CDEELO Cc1cnc([C@@H](C)[NH+]2CC(CNC(=O)C#CC3CC3)C2)cn1 ZINC001713901264 1178829787 /nfs/dbraw/zinc/82/97/87/1178829787.db2.gz OEBZVPWONAOESA-CYBMUJFWSA-N 1 2 298.390 1.307 10 30 CDEELO C[C@@H]1CCCC[C@]1(CNCC#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001714187473 1179007023 /nfs/dbraw/zinc/00/70/23/1179007023.db2.gz IQRSVCQIAUBPHW-IUODEOHRSA-N 1 2 289.383 1.130 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1csnn1 ZINC001714262459 1179053852 /nfs/dbraw/zinc/05/38/52/1179053852.db2.gz SJVBXMRKLXNMNO-SECBINFHSA-N 1 2 268.386 1.345 10 30 CDEELO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)N[C@H](C)C(C)C ZINC001714551865 1179206180 /nfs/dbraw/zinc/20/61/80/1179206180.db2.gz KXUZHMLLSFYGJX-CYBMUJFWSA-N 1 2 297.443 1.407 10 30 CDEELO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)N[C@H](C)C(C)C ZINC001714551865 1179206186 /nfs/dbraw/zinc/20/61/86/1179206186.db2.gz KXUZHMLLSFYGJX-CYBMUJFWSA-N 1 2 297.443 1.407 10 30 CDEELO C#CCCCCC(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001714633756 1179284252 /nfs/dbraw/zinc/28/42/52/1179284252.db2.gz JQHHOYOTCIIZHN-ZDUSSCGKSA-N 1 2 290.367 1.201 10 30 CDEELO C#CCCCCC(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001714633756 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/nfs/dbraw/zinc/03/82/07/957038207.db2.gz PHFHYCSIKKUGFP-NSHDSACASA-N 1 2 293.371 1.291 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)CC[C@@H]2CC(C)(C)CO2)C1 ZINC001494489087 972241424 /nfs/dbraw/zinc/24/14/24/972241424.db2.gz KCPLNQYRMNQMGJ-CQSZACIVSA-N 1 2 278.396 1.405 10 30 CDEELO C#CC[N@@H+](CCCNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001316916193 957123325 /nfs/dbraw/zinc/12/33/25/957123325.db2.gz GZHSCPUKHUSNSL-JTQLQIEISA-N 1 2 280.265 1.491 10 30 CDEELO C#CC[N@H+](CCCNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001316916193 957123329 /nfs/dbraw/zinc/12/33/29/957123329.db2.gz GZHSCPUKHUSNSL-JTQLQIEISA-N 1 2 280.265 1.491 10 30 CDEELO C#CC[N@@H+](CCCNC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001316916193 957123336 /nfs/dbraw/zinc/12/33/36/957123336.db2.gz GZHSCPUKHUSNSL-JTQLQIEISA-N 1 2 280.265 1.491 10 30 CDEELO C#CC[N@H+](CCCNC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001316916193 957123340 /nfs/dbraw/zinc/12/33/40/957123340.db2.gz GZHSCPUKHUSNSL-JTQLQIEISA-N 1 2 280.265 1.491 10 30 CDEELO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC001316950402 957148535 /nfs/dbraw/zinc/14/85/35/957148535.db2.gz PLYKFSATFNMCJC-KGLIPLIRSA-N 1 2 299.390 1.007 10 30 CDEELO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001316950402 957148540 /nfs/dbraw/zinc/14/85/40/957148540.db2.gz PLYKFSATFNMCJC-KGLIPLIRSA-N 1 2 299.390 1.007 10 30 CDEELO C#CCN1CC[NH+](CCNC(=O)[C@H](CC)CCCC)CC1 ZINC001316962676 957153233 /nfs/dbraw/zinc/15/32/33/957153233.db2.gz OMFILGKUQQZRNH-MRXNPFEDSA-N 1 2 293.455 1.570 10 30 CDEELO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001367028836 957353591 /nfs/dbraw/zinc/35/35/91/957353591.db2.gz RQHJFRXQRAFPCW-GXFFZTMASA-N 1 2 293.317 1.815 10 30 CDEELO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001367028836 957353598 /nfs/dbraw/zinc/35/35/98/957353598.db2.gz RQHJFRXQRAFPCW-GXFFZTMASA-N 1 2 293.317 1.815 10 30 CDEELO C=CCCC(=O)N1C[C@H]([NH2+]Cc2nnc(CC)o2)C[C@H]1C ZINC001331962044 957366883 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C#CCC[NH+]1CC(NC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001318057434 957884619 /nfs/dbraw/zinc/88/46/19/957884619.db2.gz QHORBCWKFGUGDE-OAHLLOKOSA-N 1 2 285.391 1.789 10 30 CDEELO C=C(C)C[NH+]1CC(NC(=O)CC[C@H]2CCCCO2)C1 ZINC001318066622 957895525 /nfs/dbraw/zinc/89/55/25/957895525.db2.gz CGFRKMFCNWVMDW-CQSZACIVSA-N 1 2 266.385 1.712 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC001318094344 957910862 /nfs/dbraw/zinc/91/08/62/957910862.db2.gz YUTPKIJIKFOPFU-HNNXBMFYSA-N 1 2 284.403 1.997 10 30 CDEELO C#CCCCC(=O)NCC1C[NH+](Cc2cnc(C)cn2)C1 ZINC001318118123 957930805 /nfs/dbraw/zinc/93/08/05/957930805.db2.gz PXUBWUZQAAPBSA-UHFFFAOYSA-N 1 2 286.379 1.137 10 30 CDEELO C[C@H](C[NH2+]Cc1nc(C(C)(C)C)no1)NC(=O)[C@@H](C)C#N ZINC001367663923 958191346 /nfs/dbraw/zinc/19/13/46/958191346.db2.gz SPIMYWXXPVRYBI-VHSXEESVSA-N 1 2 293.371 1.121 10 30 CDEELO C#CC[C@@H]1CC[N@@H+](Cc2nnn(CC(F)(F)F)n2)C1 ZINC001333468295 958358720 /nfs/dbraw/zinc/35/87/20/958358720.db2.gz WLIGLDVXWXYGBH-SECBINFHSA-N 1 2 273.262 1.081 10 30 CDEELO C#CC[C@@H]1CC[N@H+](Cc2nnn(CC(F)(F)F)n2)C1 ZINC001333468295 958358740 /nfs/dbraw/zinc/35/87/40/958358740.db2.gz WLIGLDVXWXYGBH-SECBINFHSA-N 1 2 273.262 1.081 10 30 CDEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2(COC)CCC2)C1 ZINC001319318268 958494515 /nfs/dbraw/zinc/49/45/15/958494515.db2.gz MYESTOWOOXXQDE-AWEZNQCLSA-N 1 2 296.411 1.196 10 30 CDEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2(COC)CCC2)C1 ZINC001319318268 958494529 /nfs/dbraw/zinc/49/45/29/958494529.db2.gz MYESTOWOOXXQDE-AWEZNQCLSA-N 1 2 296.411 1.196 10 30 CDEELO C=CCO[C@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC001320888762 959442613 /nfs/dbraw/zinc/44/26/13/959442613.db2.gz LFNPKSDEJPSQQR-LBPRGKRZSA-N 1 2 280.328 1.643 10 30 CDEELO C=CCO[C@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC001320888762 959442624 /nfs/dbraw/zinc/44/26/24/959442624.db2.gz LFNPKSDEJPSQQR-LBPRGKRZSA-N 1 2 280.328 1.643 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1Cc1conc1C ZINC001323279494 960604248 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CC#CC[NH2+]Cc1cn(CCc2ccns2)nn1 ZINC000905824695 626999776 /nfs/dbraw/zinc/99/97/76/626999776.db2.gz ZHKKHIZEGUHUKW-UHFFFAOYSA-N 1 2 261.354 1.090 10 30 CDEELO C/C(=C\C(=O)N1CCC(CC#N)CC1)C[NH+]1CCOCC1 ZINC000907291510 627594810 /nfs/dbraw/zinc/59/48/10/627594810.db2.gz ZLESAETZRSCKPJ-WYMLVPIESA-N 1 2 291.395 1.417 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000908027408 627981930 /nfs/dbraw/zinc/98/19/30/627981930.db2.gz FMLGVNHXVYWANF-CYBMUJFWSA-N 1 2 265.401 1.095 10 30 CDEELO C=CC(C)(C)CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000908027408 627981934 /nfs/dbraw/zinc/98/19/34/627981934.db2.gz FMLGVNHXVYWANF-CYBMUJFWSA-N 1 2 265.401 1.095 10 30 CDEELO C/C(=C\C(=O)NCC(C)(C)CC#N)C[NH+]1CCOCC1 ZINC000909882829 628729521 /nfs/dbraw/zinc/72/95/21/628729521.db2.gz NJRRGRAGVIDMBL-JLHYYAGUSA-N 1 2 279.384 1.321 10 30 CDEELO C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CSC1 ZINC000912361166 629957349 /nfs/dbraw/zinc/95/73/49/629957349.db2.gz CYHDUEMFZRBCQY-GHMZBOCLSA-N 1 2 261.350 1.090 10 30 CDEELO C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CSC1 ZINC000912361166 629957350 /nfs/dbraw/zinc/95/73/50/629957350.db2.gz CYHDUEMFZRBCQY-GHMZBOCLSA-N 1 2 261.350 1.090 10 30 CDEELO C/C(=C/C(=O)N1CC[C@@](C)(C#N)C1)C[NH+]1CCOCC1 ZINC000912707284 630159779 /nfs/dbraw/zinc/15/97/79/630159779.db2.gz PEZSCBXXAQEQII-CTXBLAANSA-N 1 2 277.368 1.027 10 30 CDEELO N#Cc1sccc1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913441951 630480859 /nfs/dbraw/zinc/48/08/59/630480859.db2.gz VSXAUPCVGPSKKQ-LLVKDONJSA-N 1 2 287.348 1.130 10 30 CDEELO C=CCC1(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CCCC1 ZINC000913541079 630542094 /nfs/dbraw/zinc/54/20/94/630542094.db2.gz FCCIHGIEBQIEDP-ZDUSSCGKSA-N 1 2 266.385 1.258 10 30 CDEELO C=CCC1(C(=O)N2CC[N@H+](C)[C@H](CO)C2)CCCC1 ZINC000913541079 630542095 /nfs/dbraw/zinc/54/20/95/630542095.db2.gz FCCIHGIEBQIEDP-ZDUSSCGKSA-N 1 2 266.385 1.258 10 30 CDEELO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCOC1 ZINC001717464293 1158474980 /nfs/dbraw/zinc/47/49/80/1158474980.db2.gz QONNKWIBRMCMHM-GHMZBOCLSA-N 1 2 260.765 1.212 10 30 CDEELO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCOC1 ZINC001717464293 1158474985 /nfs/dbraw/zinc/47/49/85/1158474985.db2.gz QONNKWIBRMCMHM-GHMZBOCLSA-N 1 2 260.765 1.212 10 30 CDEELO N#CCSCC(=O)NC[C@H]1CCCC[N@H+]1CCF ZINC001690438363 1175470930 /nfs/dbraw/zinc/47/09/30/1175470930.db2.gz FXXTXIYBTPZCTK-LLVKDONJSA-N 1 2 273.377 1.183 10 30 CDEELO N#CCSCC(=O)NC[C@H]1CCCC[N@@H+]1CCF ZINC001690438363 1175470934 /nfs/dbraw/zinc/47/09/34/1175470934.db2.gz FXXTXIYBTPZCTK-LLVKDONJSA-N 1 2 273.377 1.183 10 30 CDEELO C=CC[NH+]1CC(N(C)C(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001671168152 1166589054 /nfs/dbraw/zinc/58/90/54/1166589054.db2.gz SCQUJMTUQGAJMB-SECBINFHSA-N 1 2 264.291 1.904 10 30 CDEELO CCc1[nH]c(CNC(=O)c2cc(C#N)oc2C)c[nH+]1 ZINC001635610091 1166602487 /nfs/dbraw/zinc/60/24/87/1166602487.db2.gz ADCHJHNKSFROTR-UHFFFAOYSA-N 1 2 258.281 1.675 10 30 CDEELO CCc1[nH]cc(CNC(=O)c2cc(C#N)oc2C)[nH+]1 ZINC001635610091 1166602491 /nfs/dbraw/zinc/60/24/91/1166602491.db2.gz ADCHJHNKSFROTR-UHFFFAOYSA-N 1 2 258.281 1.675 10 30 CDEELO C=C(C)CN1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001642855944 1167204777 /nfs/dbraw/zinc/20/47/77/1167204777.db2.gz HOIYUPPKSWDAQC-UHFFFAOYSA-N 1 2 298.390 1.977 10 30 CDEELO C=CC[C@H](C)NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001565761245 1168166413 /nfs/dbraw/zinc/16/64/13/1168166413.db2.gz YVEYEYYXFZNSCL-MJBXVCDLSA-N 1 2 268.401 1.957 10 30 CDEELO C=CC[C@H](C)NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001565761245 1168166415 /nfs/dbraw/zinc/16/64/15/1168166415.db2.gz YVEYEYYXFZNSCL-MJBXVCDLSA-N 1 2 268.401 1.957 10 30 CDEELO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001569372265 1169816468 /nfs/dbraw/zinc/81/64/68/1169816468.db2.gz ANCHQDNPIXOJRX-GJZGRUSLSA-N 1 2 292.423 1.653 10 30 CDEELO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001569372265 1169816478 /nfs/dbraw/zinc/81/64/78/1169816478.db2.gz ANCHQDNPIXOJRX-GJZGRUSLSA-N 1 2 292.423 1.653 10 30 CDEELO C#CCC[NH+]1CC(N(C)C(=O)[C@](C)(C=C)CCOC)C1 ZINC001569496727 1169899646 /nfs/dbraw/zinc/89/96/46/1169899646.db2.gz YDNVSNQYLBYTOC-MRXNPFEDSA-N 1 2 278.396 1.381 10 30 CDEELO C#CCC1(C(=O)N(C)C2C[NH+](CCOC)C2)CCCCC1 ZINC001569507890 1169905497 /nfs/dbraw/zinc/90/54/97/1169905497.db2.gz IKZDDRQJWYEWTK-UHFFFAOYSA-N 1 2 292.423 1.749 10 30 CDEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1(CF)CCC1)O2 ZINC001570234789 1170118628 /nfs/dbraw/zinc/11/86/28/1170118628.db2.gz ZBYPKTJGWGDODF-CYBMUJFWSA-N 1 2 296.386 1.662 10 30 CDEELO Cc1cnc(C[N@H+]2CC=C(CNC(=O)C#CC3CC3)CC2)o1 ZINC001571686764 1170521917 /nfs/dbraw/zinc/52/19/17/1170521917.db2.gz IDICCYBAODJNHK-UHFFFAOYSA-N 1 2 299.374 1.645 10 30 CDEELO Cc1cnc(C[N@@H+]2CC=C(CNC(=O)C#CC3CC3)CC2)o1 ZINC001571686764 1170521924 /nfs/dbraw/zinc/52/19/24/1170521924.db2.gz IDICCYBAODJNHK-UHFFFAOYSA-N 1 2 299.374 1.645 10 30 CDEELO Cn1c[nH+]c2cc(Nc3cnc(C#N)c(C#N)n3)ccc21 ZINC001651572519 1171336013 /nfs/dbraw/zinc/33/60/13/1171336013.db2.gz MJDRBWGCQUGXPU-UHFFFAOYSA-N 1 2 275.275 1.850 10 30 CDEELO COc1cc(C[N@H+](C)CCNC(=O)C#CC(C)(C)C)on1 ZINC001663179937 1172651230 /nfs/dbraw/zinc/65/12/30/1172651230.db2.gz HFOSUAAFRSPRMU-UHFFFAOYSA-N 1 2 293.367 1.281 10 30 CDEELO COc1cc(C[N@@H+](C)CCNC(=O)C#CC(C)(C)C)on1 ZINC001663179937 1172651234 /nfs/dbraw/zinc/65/12/34/1172651234.db2.gz HFOSUAAFRSPRMU-UHFFFAOYSA-N 1 2 293.367 1.281 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)c2cc3occc3[nH]2)C1 ZINC001665144622 1172951307 /nfs/dbraw/zinc/95/13/07/1172951307.db2.gz WDNYSCXDXYWSGV-UHFFFAOYSA-N 1 2 289.335 1.378 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)[C@H]2CC=CCC2)C1 ZINC001692168548 1175690219 /nfs/dbraw/zinc/69/02/19/1175690219.db2.gz LXVYXXAOUMZOAW-ZDUSSCGKSA-N 1 2 264.369 1.346 10 30 CDEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C(C)(C)F)C2 ZINC001692263716 1175717801 /nfs/dbraw/zinc/71/78/01/1175717801.db2.gz PPACCUDZXNCAEK-UHFFFAOYSA-N 1 2 295.383 1.499 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)C[C@@H](C)[C@@H]2CCCO2)C1 ZINC001692258039 1175719686 /nfs/dbraw/zinc/71/96/86/1175719686.db2.gz ALAHYHGVSNGITQ-HIFRSBDPSA-N 1 2 296.411 1.195 10 30 CDEELO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001698789300 1175934875 /nfs/dbraw/zinc/93/48/75/1175934875.db2.gz GOBVYHIREKGAGY-KGLIPLIRSA-N 1 2 292.379 1.695 10 30 CDEELO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001698789300 1175934876 /nfs/dbraw/zinc/93/48/76/1175934876.db2.gz GOBVYHIREKGAGY-KGLIPLIRSA-N 1 2 292.379 1.695 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC1CC1 ZINC001699627300 1176524196 /nfs/dbraw/zinc/52/41/96/1176524196.db2.gz QMWABTXGEREYGP-YPMHNXCESA-N 1 2 293.411 1.056 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CC1 ZINC001699627300 1176524207 /nfs/dbraw/zinc/52/42/07/1176524207.db2.gz QMWABTXGEREYGP-YPMHNXCESA-N 1 2 293.411 1.056 10 30 CDEELO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1csc(C2CC2)n1 ZINC001699635077 1176531967 /nfs/dbraw/zinc/53/19/67/1176531967.db2.gz ZPTSGGBGXPKUSG-CYBMUJFWSA-N 1 2 289.404 1.387 10 30 CDEELO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1csc(C2CC2)n1 ZINC001699635077 1176531979 /nfs/dbraw/zinc/53/19/79/1176531979.db2.gz ZPTSGGBGXPKUSG-CYBMUJFWSA-N 1 2 289.404 1.387 10 30 CDEELO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)Oc1ccccc1 ZINC001699639322 1176538024 /nfs/dbraw/zinc/53/80/24/1176538024.db2.gz NZPXMISWOYXSGI-KGLIPLIRSA-N 1 2 272.348 1.278 10 30 CDEELO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)Oc1ccccc1 ZINC001699639322 1176538031 /nfs/dbraw/zinc/53/80/31/1176538031.db2.gz NZPXMISWOYXSGI-KGLIPLIRSA-N 1 2 272.348 1.278 10 30 CDEELO C=CCOCC(=O)N[C@@]1(C)CC[N@H+](Cc2nccs2)C1 ZINC001699814058 1176634197 /nfs/dbraw/zinc/63/41/97/1176634197.db2.gz UWPUSWXMZKYUSX-AWEZNQCLSA-N 1 2 295.408 1.426 10 30 CDEELO C=CCOCC(=O)N[C@@]1(C)CC[N@@H+](Cc2nccs2)C1 ZINC001699814058 1176634203 /nfs/dbraw/zinc/63/42/03/1176634203.db2.gz UWPUSWXMZKYUSX-AWEZNQCLSA-N 1 2 295.408 1.426 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)Cc2ccsc2C)C1 ZINC001699921911 1176683289 /nfs/dbraw/zinc/68/32/89/1176683289.db2.gz OAQWNIHUVPMROQ-UHFFFAOYSA-N 1 2 294.420 1.338 10 30 CDEELO C=CCCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001700112345 1176751174 /nfs/dbraw/zinc/75/11/74/1176751174.db2.gz AGMWFKQGLZLAHN-LSDHHAIUSA-N 1 2 293.411 1.709 10 30 CDEELO C=CCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001700112345 1176751179 /nfs/dbraw/zinc/75/11/79/1176751179.db2.gz AGMWFKQGLZLAHN-LSDHHAIUSA-N 1 2 293.411 1.709 10 30 CDEELO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001700112860 1176752653 /nfs/dbraw/zinc/75/26/53/1176752653.db2.gz IOMJNQPRGBDBQU-LSDHHAIUSA-N 1 2 296.411 1.195 10 30 CDEELO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001700112860 1176752657 /nfs/dbraw/zinc/75/26/57/1176752657.db2.gz IOMJNQPRGBDBQU-LSDHHAIUSA-N 1 2 296.411 1.195 10 30 CDEELO C=CCCCC(=O)NC[C@@H]1CCC2(C[NH+](CC=C)C2)O1 ZINC001700206376 1176799968 /nfs/dbraw/zinc/79/99/68/1176799968.db2.gz TWTZYSWBAXOVEV-AWEZNQCLSA-N 1 2 278.396 1.878 10 30 CDEELO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(CC)CC1)CO2 ZINC001700217924 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C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)n1cncn1 ZINC001505901385 908410726 /nfs/dbraw/zinc/41/07/26/908410726.db2.gz HQQQTOYZAXCBLR-GHMZBOCLSA-N 1 2 285.779 1.028 10 30 CDEELO C#CC[N@@H+](C)CCN(C)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001272131107 908605449 /nfs/dbraw/zinc/60/54/49/908605449.db2.gz ACHOBORUSOPLNG-UHFFFAOYSA-N 1 2 288.273 1.066 10 30 CDEELO C#CC[N@H+](C)CCN(C)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001272131107 908605458 /nfs/dbraw/zinc/60/54/58/908605458.db2.gz ACHOBORUSOPLNG-UHFFFAOYSA-N 1 2 288.273 1.066 10 30 CDEELO O=C(/C=C/c1ccc(F)cc1)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001168301459 908941572 /nfs/dbraw/zinc/94/15/72/908941572.db2.gz XFJDQOGQTPTFOW-VUUYWXRKSA-N 1 2 299.305 1.866 10 30 CDEELO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](OCC)[C@@H]2CCOC2)C1 ZINC001483872837 915155659 /nfs/dbraw/zinc/15/56/59/915155659.db2.gz IFPPTMDZFAGYGN-HIFRSBDPSA-N 1 2 296.411 1.147 10 30 CDEELO C#CCCCC(=O)N1CCC[C@H]1C[NH2+]Cc1cnsn1 ZINC001483927439 915223461 /nfs/dbraw/zinc/22/34/61/915223461.db2.gz GFQNVZMXIJMFJC-ZDUSSCGKSA-N 1 2 292.408 1.422 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001484261664 915560297 /nfs/dbraw/zinc/56/02/97/915560297.db2.gz VLWIYTYDACDZGT-SDQBBNPISA-N 1 2 264.369 1.082 10 30 CDEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](C)CC)O2 ZINC001484781912 916154082 /nfs/dbraw/zinc/15/40/82/916154082.db2.gz ORZABRZUAKNKMI-CHWSQXEVSA-N 1 2 266.385 1.568 10 30 CDEELO Cc1cc(NC(=O)c2ccc(C#N)c(Cl)n2)cc[nH+]1 ZINC001127644677 916533246 /nfs/dbraw/zinc/53/32/46/916533246.db2.gz GZQXTBZZUYMYSR-UHFFFAOYSA-N 1 2 272.695 1.984 10 30 CDEELO C#CCCCC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)c1ncccn1 ZINC001485296638 916776173 /nfs/dbraw/zinc/77/61/73/916776173.db2.gz DBEXKTXBGCAIDR-ZIAGYGMSSA-N 1 2 288.395 1.778 10 30 CDEELO C#CCCCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)c1ncccn1 ZINC001485296638 916776184 /nfs/dbraw/zinc/77/61/84/916776184.db2.gz DBEXKTXBGCAIDR-ZIAGYGMSSA-N 1 2 288.395 1.778 10 30 CDEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2C[C@@H]2C(C)C)C1 ZINC001485420755 916961611 /nfs/dbraw/zinc/96/16/11/916961611.db2.gz CVJFRMOPHYJVPL-KGLIPLIRSA-N 1 2 280.412 1.408 10 30 CDEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)/C=C\c2ccc[nH]2)C1 ZINC001568217408 1169186829 /nfs/dbraw/zinc/18/68/29/1169186829.db2.gz XEVFMFRQKRKYQG-GEXIGZQTSA-N 1 2 275.352 1.031 10 30 CDEELO C=CC[N@H+]1CCO[C@H](CNC(=O)/C=C\c2ccc[nH]2)C1 ZINC001568217408 1169186830 /nfs/dbraw/zinc/18/68/30/1169186830.db2.gz XEVFMFRQKRKYQG-GEXIGZQTSA-N 1 2 275.352 1.031 10 30 CDEELO C#CCCCC(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001568269638 1169210822 /nfs/dbraw/zinc/21/08/22/1169210822.db2.gz OTFVZRNAOMWXFH-LLVKDONJSA-N 1 2 278.356 1.118 10 30 CDEELO CN(CC#N)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001273531341 920276542 /nfs/dbraw/zinc/27/65/42/920276542.db2.gz ZHHFUPVVDFXIGU-UHFFFAOYSA-N 1 2 285.351 1.480 10 30 CDEELO C#CC[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC001273084526 921953812 /nfs/dbraw/zinc/95/38/12/921953812.db2.gz REEINVXDUDMUMY-QMMMGPOBSA-N 1 2 266.238 1.149 10 30 CDEELO C#CC[NH2+]C1(CNC(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001273084526 921953820 /nfs/dbraw/zinc/95/38/20/921953820.db2.gz REEINVXDUDMUMY-QMMMGPOBSA-N 1 2 266.238 1.149 10 30 CDEELO C=CCC[C@@H](O)C[N@@H+](C)[C@H](COC(C)C)C(=O)OC ZINC001192234660 922971663 /nfs/dbraw/zinc/97/16/63/922971663.db2.gz SXVCYJICARTCLK-CHWSQXEVSA-N 1 2 273.373 1.212 10 30 CDEELO C=CCC[C@@H](O)C[N@H+](C)[C@H](COC(C)C)C(=O)OC ZINC001192234660 922971679 /nfs/dbraw/zinc/97/16/79/922971679.db2.gz SXVCYJICARTCLK-CHWSQXEVSA-N 1 2 273.373 1.212 10 30 CDEELO COc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000828402261 923117737 /nfs/dbraw/zinc/11/77/37/923117737.db2.gz ATDVDCFOKNCEGJ-LBPRGKRZSA-N 1 2 298.346 1.829 10 30 CDEELO C=CCO[C@H]1CC[N@@H+](Cc2nnc(C(C)C)o2)C1 ZINC001323729566 926047493 /nfs/dbraw/zinc/04/74/93/926047493.db2.gz OVPCZOCDRQWVJG-NSHDSACASA-N 1 2 251.330 1.970 10 30 CDEELO C=CCO[C@H]1CC[N@H+](Cc2nnc(C(C)C)o2)C1 ZINC001323729566 926047504 /nfs/dbraw/zinc/04/75/04/926047504.db2.gz OVPCZOCDRQWVJG-NSHDSACASA-N 1 2 251.330 1.970 10 30 CDEELO Cc1nnsc1C[N@H+]1CC[C@](C)(NC(=O)[C@H](C)C#N)C1 ZINC001439835036 927312349 /nfs/dbraw/zinc/31/23/49/927312349.db2.gz LZMCEMNVHIJQQB-RNCFNFMXSA-N 1 2 293.396 1.087 10 30 CDEELO Cc1nnsc1C[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)C#N)C1 ZINC001439835036 927312361 /nfs/dbraw/zinc/31/23/61/927312361.db2.gz LZMCEMNVHIJQQB-RNCFNFMXSA-N 1 2 293.396 1.087 10 30 CDEELO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001568473565 1169308141 /nfs/dbraw/zinc/30/81/41/1169308141.db2.gz DGAFMDXMPCWBBC-UHFFFAOYSA-N 1 2 283.759 1.076 10 30 CDEELO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001568473565 1169308150 /nfs/dbraw/zinc/30/81/50/1169308150.db2.gz DGAFMDXMPCWBBC-UHFFFAOYSA-N 1 2 283.759 1.076 10 30 CDEELO CCc1noc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C#CC2CC2)n1 ZINC001275149742 931680669 /nfs/dbraw/zinc/68/06/69/931680669.db2.gz KDADCZXIKPRIAA-WDEREUQCSA-N 1 2 290.367 1.201 10 30 CDEELO C#CCCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1csnn1 ZINC001275386890 931765577 /nfs/dbraw/zinc/76/55/77/931765577.db2.gz RLFXQILRRUKVPV-QWRGUYRKSA-N 1 2 280.397 1.324 10 30 CDEELO COc1cc(O)ccc1C=NNCCCn1cc[nH+]c1 ZINC001118322572 937616726 /nfs/dbraw/zinc/61/67/26/937616726.db2.gz JNCBXSMYYKSIFP-UHFFFAOYSA-N 1 2 274.324 1.611 10 30 CDEELO C=CCO[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001120047205 937776675 /nfs/dbraw/zinc/77/66/75/937776675.db2.gz CTSILXYMZWVXPL-GFCCVEGCSA-N 1 2 271.320 1.980 10 30 CDEELO NC(Cc1cccnc1)=[NH+]OCc1nc(-c2ccoc2)no1 ZINC000092917298 934902087 /nfs/dbraw/zinc/90/20/87/934902087.db2.gz HCKPJGQMFJNBBQ-UHFFFAOYSA-N 1 2 299.290 1.756 10 30 CDEELO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001412960571 935116718 /nfs/dbraw/zinc/11/67/18/935116718.db2.gz AXBXCLVJPPMQCO-ZDUSSCGKSA-N 1 2 291.376 1.434 10 30 CDEELO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001412960571 935116720 /nfs/dbraw/zinc/11/67/20/935116720.db2.gz AXBXCLVJPPMQCO-ZDUSSCGKSA-N 1 2 291.376 1.434 10 30 CDEELO CC(C)C#CC(=O)N[C@@H](C)C1C[NH+](Cc2ccns2)C1 ZINC001276375882 935733422 /nfs/dbraw/zinc/73/34/22/935733422.db2.gz IXWUQZJHGINYRB-LBPRGKRZSA-N 1 2 291.420 1.739 10 30 CDEELO C=C(CC(C)C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC001123901458 936243079 /nfs/dbraw/zinc/24/30/79/936243079.db2.gz FFTMYMWKDHYMFZ-UHFFFAOYSA-N 1 2 268.401 1.816 10 30 CDEELO C=CCOc1ccccc1CNC(=O)C[C@@H]([NH3+])C(F)F ZINC001121954902 937894262 /nfs/dbraw/zinc/89/42/62/937894262.db2.gz VFUGKZWCCVTSBG-LLVKDONJSA-N 1 2 284.306 1.850 10 30 CDEELO C#Cc1ccc(NC(=O)NCc2ccc[nH+]c2N)cc1 ZINC001210363662 940685699 /nfs/dbraw/zinc/68/56/99/940685699.db2.gz LXIZDENXZSTLQI-UHFFFAOYSA-N 1 2 266.304 1.967 10 30 CDEELO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1cccc2cccnc21 ZINC001276892419 941679183 /nfs/dbraw/zinc/67/91/83/941679183.db2.gz RSHWPXUUCNOJEA-MRXNPFEDSA-N 1 2 293.370 1.601 10 30 CDEELO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cccc2cccnc21 ZINC001276892419 941679186 /nfs/dbraw/zinc/67/91/86/941679186.db2.gz RSHWPXUUCNOJEA-MRXNPFEDSA-N 1 2 293.370 1.601 10 30 CDEELO C[C@@H]1Cc2n[nH]cc2C[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC001473797088 970853645 /nfs/dbraw/zinc/85/36/45/970853645.db2.gz PAUCCBBLCWGKSB-VXGBXAGGSA-N 1 2 257.341 1.847 10 30 CDEELO C[C@@H]1Cc2n[nH]cc2C[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC001473797088 970853653 /nfs/dbraw/zinc/85/36/53/970853653.db2.gz PAUCCBBLCWGKSB-VXGBXAGGSA-N 1 2 257.341 1.847 10 30 CDEELO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cocc1C ZINC001280411505 942436038 /nfs/dbraw/zinc/43/60/38/942436038.db2.gz ARVIMXVVWOKFOE-AWEZNQCLSA-N 1 2 292.379 1.985 10 30 CDEELO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cocc1C ZINC001280411505 942436048 /nfs/dbraw/zinc/43/60/48/942436048.db2.gz ARVIMXVVWOKFOE-AWEZNQCLSA-N 1 2 292.379 1.985 10 30 CDEELO C#CCCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnc(CC)o1 ZINC001282125794 942664380 /nfs/dbraw/zinc/66/43/80/942664380.db2.gz YKYUDJOKUKAPRN-VXGBXAGGSA-N 1 2 292.383 1.418 10 30 CDEELO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C)OC)C1 ZINC001282693585 942740507 /nfs/dbraw/zinc/74/05/07/942740507.db2.gz PVLMICFQONYMTQ-VHSXEESVSA-N 1 2 260.765 1.210 10 30 CDEELO CC(C)C#CC(=O)N[C@@H](C)C1C[NH+](Cc2ccnn2C)C1 ZINC001282707316 942743330 /nfs/dbraw/zinc/74/33/30/942743330.db2.gz UQRRVHRECRCNCX-ZDUSSCGKSA-N 1 2 288.395 1.016 10 30 CDEELO C#CC[N@H+]1CCC[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001265584664 944439154 /nfs/dbraw/zinc/43/91/54/944439154.db2.gz RXROCUIGEVGXPK-NXEZZACHSA-N 1 2 280.265 1.348 10 30 CDEELO C#CC[N@@H+]1CCC[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001265584664 944439156 /nfs/dbraw/zinc/43/91/56/944439156.db2.gz RXROCUIGEVGXPK-NXEZZACHSA-N 1 2 280.265 1.348 10 30 CDEELO C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001265584664 944439162 /nfs/dbraw/zinc/43/91/62/944439162.db2.gz RXROCUIGEVGXPK-NXEZZACHSA-N 1 2 280.265 1.348 10 30 CDEELO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001265584664 944439166 /nfs/dbraw/zinc/43/91/66/944439166.db2.gz RXROCUIGEVGXPK-NXEZZACHSA-N 1 2 280.265 1.348 10 30 CDEELO C=CC(C)(C)C(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC001265808746 944515576 /nfs/dbraw/zinc/51/55/76/944515576.db2.gz 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/nfs/dbraw/zinc/74/36/81/971743681.db2.gz OFGOEWYHWVRVCE-RKDXNWHRSA-N 1 2 270.270 1.947 10 30 CDEELO C=CCC1(C(=O)NC[C@H](C)[NH2+]Cc2nncs2)CCC1 ZINC001480533672 971772452 /nfs/dbraw/zinc/77/24/52/971772452.db2.gz XKHPRZXPGUGXQC-NSHDSACASA-N 1 2 294.424 1.879 10 30 CDEELO C=CCC1(C(=O)NC[C@@H](C)[NH2+]Cc2nncs2)CCC1 ZINC001480533670 971772554 /nfs/dbraw/zinc/77/25/54/971772554.db2.gz XKHPRZXPGUGXQC-LLVKDONJSA-N 1 2 294.424 1.879 10 30 CDEELO C=CCCCC(=O)NCC1(O)C[NH+](C[C@@H]2CCCCO2)C1 ZINC001325260041 953799544 /nfs/dbraw/zinc/79/95/44/953799544.db2.gz ZFGCWTRIQUKUPU-AWEZNQCLSA-N 1 2 296.411 1.075 10 30 CDEELO C=CCCCC(=O)N[C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001287700784 953853166 /nfs/dbraw/zinc/85/31/66/953853166.db2.gz WAGBEVZGRKRNJN-GFCCVEGCSA-N 1 2 292.383 1.272 10 30 CDEELO Cc1c[nH+]cc(C)c1NC(=O)Cc1ccc(C#N)nc1 ZINC001288772729 953956497 /nfs/dbraw/zinc/95/64/97/953956497.db2.gz ZRLGRCKHZHOZJA-UHFFFAOYSA-N 1 2 266.304 1.568 10 30 CDEELO C=CCC(CC=C)C(=O)NC[C@H]1COCC[N@H+]1CCC 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JNWGSFHGGODPHZ-CQSZACIVSA-N 1 2 276.380 1.326 10 30 CDEELO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCO1 ZINC001725153732 1181887382 /nfs/dbraw/zinc/88/73/82/1181887382.db2.gz MUWHAMWKNYHIQZ-GHMZBOCLSA-N 1 2 260.765 1.354 10 30 CDEELO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCO1 ZINC001725153732 1181887386 /nfs/dbraw/zinc/88/73/86/1181887386.db2.gz MUWHAMWKNYHIQZ-GHMZBOCLSA-N 1 2 260.765 1.354 10 30 CDEELO CC(C)C#CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001731715848 1182530044 /nfs/dbraw/zinc/53/00/44/1182530044.db2.gz OYOHSVFEJXSWDY-HNNXBMFYSA-N 1 2 289.379 1.757 10 30 CDEELO CC(C)C#CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001731715848 1182530049 /nfs/dbraw/zinc/53/00/49/1182530049.db2.gz OYOHSVFEJXSWDY-HNNXBMFYSA-N 1 2 289.379 1.757 10 30 CDEELO C#CC[N@H+](CC)CCNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC001731807061 1182597979 /nfs/dbraw/zinc/59/79/79/1182597979.db2.gz USCMTHIAGULGGH-SWLSCSKDSA-N 1 2 288.395 1.147 10 30 CDEELO C#CC[N@@H+](CC)CCNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC001731807061 1182597984 /nfs/dbraw/zinc/59/79/84/1182597984.db2.gz USCMTHIAGULGGH-SWLSCSKDSA-N 1 2 288.395 1.147 10 30 CDEELO C=C[C@H](CC)CC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001732109088 1182775720 /nfs/dbraw/zinc/77/57/20/1182775720.db2.gz SMLNHAPOBARDIW-HIFRSBDPSA-N 1 2 280.412 1.958 10 30 CDEELO C#CCCCCC(=O)NCC1C[NH+](Cc2ccns2)C1 ZINC001732124356 1182786933 /nfs/dbraw/zinc/78/69/33/1182786933.db2.gz ADAZIBAWSQDABV-UHFFFAOYSA-N 1 2 291.420 1.885 10 30 CDEELO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](CCCC)C(N)=O ZINC001732146278 1182803643 /nfs/dbraw/zinc/80/36/43/1182803643.db2.gz WAFUOCHQMPUMGM-MELADBBJSA-N 1 2 293.411 1.282 10 30 CDEELO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](CCCC)C(N)=O ZINC001732146278 1182803652 /nfs/dbraw/zinc/80/36/52/1182803652.db2.gz WAFUOCHQMPUMGM-MELADBBJSA-N 1 2 293.411 1.282 10 30 CDEELO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)CCC)C1 ZINC001732383970 1182939594 /nfs/dbraw/zinc/93/95/94/1182939594.db2.gz OJMOWUUYZNNUFS-ZDUSSCGKSA-N 1 2 268.401 1.816 10 30 CDEELO C=CC[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)CCC)C1 ZINC001732383970 1182939597 /nfs/dbraw/zinc/93/95/97/1182939597.db2.gz OJMOWUUYZNNUFS-ZDUSSCGKSA-N 1 2 268.401 1.816 10 30 CDEELO C=CC(C)(C)C(=O)N(C)CC[N@H+](C)Cc1cnc(C)cn1 ZINC001732588189 1183032605 /nfs/dbraw/zinc/03/26/05/1183032605.db2.gz HKEAUVPNSZWCKK-UHFFFAOYSA-N 1 2 290.411 1.887 10 30 CDEELO C=CC(C)(C)C(=O)N(C)CC[N@@H+](C)Cc1cnc(C)cn1 ZINC001732588189 1183032613 /nfs/dbraw/zinc/03/26/13/1183032613.db2.gz HKEAUVPNSZWCKK-UHFFFAOYSA-N 1 2 290.411 1.887 10 30 CDEELO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1CCCC1 ZINC001733196699 1183326346 /nfs/dbraw/zinc/32/63/46/1183326346.db2.gz DDXQEYPLKZJEST-OCCSQVGLSA-N 1 2 293.411 1.058 10 30 CDEELO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CCCC1 ZINC001733196699 1183326351 /nfs/dbraw/zinc/32/63/51/1183326351.db2.gz DDXQEYPLKZJEST-OCCSQVGLSA-N 1 2 293.411 1.058 10 30 CDEELO C=CC[NH+]1CC(N(C)C(=O)COCC2CCCC2)C1 ZINC001733306864 1183388645 /nfs/dbraw/zinc/38/86/45/1183388645.db2.gz IUUHBIFWXHMCGZ-UHFFFAOYSA-N 1 2 266.385 1.522 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001733502945 1183451665 /nfs/dbraw/zinc/45/16/65/1183451665.db2.gz CFEFRYHQBAGJRL-CHWSQXEVSA-N 1 2 280.412 1.408 10 30 CDEELO CC(C)C#CC(=O)NC[C@@H]1COCC[N@H+]1CC[C@@H](C)F ZINC001733703517 1183501956 /nfs/dbraw/zinc/50/19/56/1183501956.db2.gz PIDKOPABGGRJLZ-ZIAGYGMSSA-N 1 2 284.375 1.211 10 30 CDEELO CC(C)C#CC(=O)NC[C@@H]1COCC[N@@H+]1CC[C@@H](C)F ZINC001733703517 1183501957 /nfs/dbraw/zinc/50/19/57/1183501957.db2.gz PIDKOPABGGRJLZ-ZIAGYGMSSA-N 1 2 284.375 1.211 10 30 CDEELO C=C(C)CCC(=O)N[C@H](CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001759348410 1186488274 /nfs/dbraw/zinc/48/82/74/1186488274.db2.gz NQBPVSRPWAINSB-GFCCVEGCSA-N 1 2 292.383 1.320 10 30 CDEELO CC(C)[C@@H](CNC(=O)c1coc(C#N)c1)[NH+]1CCOCC1 ZINC000864669794 705557986 /nfs/dbraw/zinc/55/79/86/705557986.db2.gz MICCFMPTHZVBPH-CQSZACIVSA-N 1 2 291.351 1.238 10 30 CDEELO O=C1COc2ccc(C=NNCCCn3cc[nH+]c3)cc2N1 ZINC000848417054 705566307 /nfs/dbraw/zinc/56/63/07/705566307.db2.gz JBVSCAPBKOWMJP-UHFFFAOYSA-N 1 2 299.334 1.228 10 30 CDEELO C=CCCC[N@@H+](C)Cn1ncn(CCOC)c1=S ZINC000076664601 705593167 /nfs/dbraw/zinc/59/31/67/705593167.db2.gz WPGUGNSXECYGAD-UHFFFAOYSA-N 1 2 270.402 1.916 10 30 CDEELO C=CCCC[N@H+](C)Cn1ncn(CCOC)c1=S ZINC000076664601 705593172 /nfs/dbraw/zinc/59/31/72/705593172.db2.gz WPGUGNSXECYGAD-UHFFFAOYSA-N 1 2 270.402 1.916 10 30 CDEELO C#CCOc1ccccc1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000879284662 705857529 /nfs/dbraw/zinc/85/75/29/705857529.db2.gz IYVHYBLJRVLREW-LBPRGKRZSA-N 1 2 296.330 1.642 10 30 CDEELO Cn1cc(C2=NC[C@H](C[N@H+](CCC#N)CC3CC3)O2)cn1 ZINC000929775899 705858971 /nfs/dbraw/zinc/85/89/71/705858971.db2.gz WQLBILADMOCIGW-CQSZACIVSA-N 1 2 287.367 1.191 10 30 CDEELO Cn1cc(C2=NC[C@H](C[N@@H+](CCC#N)CC3CC3)O2)cn1 ZINC000929775899 705858973 /nfs/dbraw/zinc/85/89/73/705858973.db2.gz WQLBILADMOCIGW-CQSZACIVSA-N 1 2 287.367 1.191 10 30 CDEELO C#CCC[NH+]1CCN(C(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000837381345 705887414 /nfs/dbraw/zinc/88/74/14/705887414.db2.gz HSVLCLQUJVHITH-UHFFFAOYSA-N 1 2 282.347 1.043 10 30 CDEELO CCn1ncc(C[NH2+]Cc2ccc(C#N)c(OC)c2)n1 ZINC000839107231 705987906 /nfs/dbraw/zinc/98/79/06/705987906.db2.gz DTAIVMCRHWHACW-UHFFFAOYSA-N 1 2 271.324 1.468 10 30 CDEELO C=C(Br)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000850119780 706196167 /nfs/dbraw/zinc/19/61/67/706196167.db2.gz SJACLZNMBOTYLI-UHFFFAOYSA-N 1 2 256.147 1.828 10 30 CDEELO C=C(C)C[C@H](NC(C)=O)C(=O)OCc1ccc[nH+]c1N ZINC000922862639 709826818 /nfs/dbraw/zinc/82/68/18/709826818.db2.gz OTDDQUIJWMQPOJ-LBPRGKRZSA-N 1 2 277.324 1.178 10 30 CDEELO C=CC(C)(C)CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000832714325 709830302 /nfs/dbraw/zinc/83/03/02/709830302.db2.gz BQGGTZXZKZKBLG-FNORWQNLSA-N 1 2 280.412 1.983 10 30 CDEELO CC(=NNCCCn1cc[nH+]c1)c1cc2n(n1)CCC2 ZINC000848416496 709840277 /nfs/dbraw/zinc/84/02/77/709840277.db2.gz NFRMIPDNROZFPH-UHFFFAOYSA-N 1 2 272.356 1.430 10 30 CDEELO Cc1nc(C#N)cc(NCc2nc(C[NH+](C)C)cs2)n1 ZINC000722381103 710015077 /nfs/dbraw/zinc/01/50/77/710015077.db2.gz ARWLYPIFVBZXEJ-UHFFFAOYSA-N 1 2 288.380 1.787 10 30 CDEELO C#CCC1(O)CC[NH+](Cc2nnc(C(C)(C)C)o2)CC1 ZINC000880478081 710029849 /nfs/dbraw/zinc/02/98/49/710029849.db2.gz SICPWJHUUAVRQB-UHFFFAOYSA-N 1 2 277.368 1.717 10 30 CDEELO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000878527439 710174987 /nfs/dbraw/zinc/17/49/87/710174987.db2.gz CXJGDNCTYUYLJZ-ZIAGYGMSSA-N 1 2 276.336 1.652 10 30 CDEELO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000878527439 710174991 /nfs/dbraw/zinc/17/49/91/710174991.db2.gz CXJGDNCTYUYLJZ-ZIAGYGMSSA-N 1 2 276.336 1.652 10 30 CDEELO C=CC[C@H](C(=O)OC)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000878888989 710379150 /nfs/dbraw/zinc/37/91/50/710379150.db2.gz RHFZWXDRGDHNAG-TZMCWYRMSA-N 1 2 253.342 1.605 10 30 CDEELO C=CC[C@H](C(=O)OC)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000878888989 710379154 /nfs/dbraw/zinc/37/91/54/710379154.db2.gz RHFZWXDRGDHNAG-TZMCWYRMSA-N 1 2 253.342 1.605 10 30 CDEELO C#CC[N@@H+](CCCCCO)CC(=O)OC(C)(C)C ZINC000852429729 710380407 /nfs/dbraw/zinc/38/04/07/710380407.db2.gz WMNBFFBNDUWGLA-UHFFFAOYSA-N 1 2 255.358 1.426 10 30 CDEELO C#CC[N@H+](CCCCCO)CC(=O)OC(C)(C)C ZINC000852429729 710380411 /nfs/dbraw/zinc/38/04/11/710380411.db2.gz WMNBFFBNDUWGLA-UHFFFAOYSA-N 1 2 255.358 1.426 10 30 CDEELO C[C@@]12COC[C@]1(C)C[N@@H+](Cn1cccc(C#N)c1=O)C2 ZINC000853542555 710383488 /nfs/dbraw/zinc/38/34/88/710383488.db2.gz CLMXJPXIUPJEMP-GASCZTMLSA-N 1 2 273.336 1.036 10 30 CDEELO C[C@@]12COC[C@]1(C)C[N@H+](Cn1cccc(C#N)c1=O)C2 ZINC000853542555 710383490 /nfs/dbraw/zinc/38/34/90/710383490.db2.gz CLMXJPXIUPJEMP-GASCZTMLSA-N 1 2 273.336 1.036 10 30 CDEELO C(=NNCCCn1cc[nH+]c1)c1cnc(C2CC2)o1 ZINC000863126659 710425542 /nfs/dbraw/zinc/42/55/42/710425542.db2.gz MWDSZYIIQHXUHB-UHFFFAOYSA-N 1 2 259.313 1.762 10 30 CDEELO C[C@@H]([NH2+]CCc1cnccn1)c1cccc(C#N)c1O ZINC000866315105 710442975 /nfs/dbraw/zinc/44/29/75/710442975.db2.gz QPBYDDWRIYGINT-LLVKDONJSA-N 1 2 268.320 1.947 10 30 CDEELO C=C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)C(=O)OC ZINC000871922552 710534366 /nfs/dbraw/zinc/53/43/66/710534366.db2.gz ZGHSLVSNAMPQCJ-NWDGAFQWSA-N 1 2 253.342 1.510 10 30 CDEELO C=CCCO[C@@H](C)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927772153 710697179 /nfs/dbraw/zinc/69/71/79/710697179.db2.gz OQQOZJWDHLAYIF-NSHDSACASA-N 1 2 297.424 1.802 10 30 CDEELO COC(=O)c1cccc(C[N@@H+]2CCOCC[C@@H]2C)c1C#N ZINC000775570884 710771093 /nfs/dbraw/zinc/77/10/93/710771093.db2.gz YKJKSUANUWBOLO-LBPRGKRZSA-N 1 2 288.347 1.956 10 30 CDEELO COC(=O)c1cccc(C[N@H+]2CCOCC[C@@H]2C)c1C#N ZINC000775570884 710771104 /nfs/dbraw/zinc/77/11/04/710771104.db2.gz YKJKSUANUWBOLO-LBPRGKRZSA-N 1 2 288.347 1.956 10 30 CDEELO N#Cc1ccnc(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000803850435 710776146 /nfs/dbraw/zinc/77/61/46/710776146.db2.gz KJBVVOVMLMOQIA-UHFFFAOYSA-N 1 2 256.265 1.397 10 30 CDEELO N#CC[C@H](NC(=O)CNc1cccc[nH+]1)C(F)(F)F ZINC000928801743 710788694 /nfs/dbraw/zinc/78/86/94/710788694.db2.gz WPBKOUVKKIGXLL-QMMMGPOBSA-N 1 2 272.230 1.454 10 30 CDEELO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780553525 711441407 /nfs/dbraw/zinc/44/14/07/711441407.db2.gz CXAOCEGKXDLIOB-UHFFFAOYSA-N 1 2 275.743 1.938 10 30 CDEELO N#CC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000845337942 711477534 /nfs/dbraw/zinc/47/75/34/711477534.db2.gz BLQPHGAZIMTUTJ-UHFFFAOYSA-N 1 2 272.352 1.524 10 30 CDEELO CCO[C@H]1CC(=NNCCCn2cc[nH+]c2)[C@H]1SC ZINC000848417006 711601777 /nfs/dbraw/zinc/60/17/77/711601777.db2.gz HPGGGAMCYGJWDM-QWHCGFSZSA-N 1 2 282.413 1.759 10 30 CDEELO COCC[C@@H](COC)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866361793 711626335 /nfs/dbraw/zinc/62/63/35/711626335.db2.gz ULWYKTPTLKOWFL-AAEUAGOBSA-N 1 2 278.352 1.966 10 30 CDEELO C[C@@H](O[NH+]=C(N)CCO)c1nc(C(C)(C)C)no1 ZINC000121361719 711700491 /nfs/dbraw/zinc/70/04/91/711700491.db2.gz VWGUMEXCFBTMBM-SSDOTTSWSA-N 1 2 256.306 1.099 10 30 CDEELO C[C@H](C(=O)OCc1cccc2[nH+]ccn21)n1cnc(C#N)n1 ZINC000798843018 711725736 /nfs/dbraw/zinc/72/57/36/711725736.db2.gz 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C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)CC(C)(C)C#N ZINC000433302569 361229813 /nfs/dbraw/zinc/22/98/13/361229813.db2.gz JDNXEJLHTDCGPU-ZIAGYGMSSA-N 1 2 293.411 1.638 10 30 CDEELO C=CCC1(C(=O)NC[C@@H]2COCC[N@H+]2C)CCCC1 ZINC000628911937 361283725 /nfs/dbraw/zinc/28/37/25/361283725.db2.gz DJRJZKVZFJUSDZ-CYBMUJFWSA-N 1 2 266.385 1.570 10 30 CDEELO C=CCC1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CCCC1 ZINC000628911937 361283729 /nfs/dbraw/zinc/28/37/29/361283729.db2.gz DJRJZKVZFJUSDZ-CYBMUJFWSA-N 1 2 266.385 1.570 10 30 CDEELO OC[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@H]1O ZINC000514628321 364762534 /nfs/dbraw/zinc/76/25/34/364762534.db2.gz NYAKAYWEBULCLK-UKRRQHHQSA-N 1 2 279.767 1.367 10 30 CDEELO OC[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1O ZINC000514628321 364762538 /nfs/dbraw/zinc/76/25/38/364762538.db2.gz NYAKAYWEBULCLK-UKRRQHHQSA-N 1 2 279.767 1.367 10 30 CDEELO C=C(C)CN(CC)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641253432 365273199 /nfs/dbraw/zinc/27/31/99/365273199.db2.gz ZKTNIGVPLSPFQB-UHFFFAOYSA-N 1 2 257.359 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C=C(C)C(C)(C)C(=O)NCC[N@H+](CC)Cc1cnnn1C ZINC001663411305 1172690481 /nfs/dbraw/zinc/69/04/81/1172690481.db2.gz LOBVTVILQUGINX-UHFFFAOYSA-N 1 2 293.415 1.356 10 30 CDEELO CN1C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)CC[C@@H]21 ZINC000286010582 390190196 /nfs/dbraw/zinc/19/01/96/390190196.db2.gz ZLZSXBHGWLTJKH-KGLIPLIRSA-N 1 2 288.326 1.295 10 30 CDEELO CN1C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)CC[C@@H]21 ZINC000286010582 390190198 /nfs/dbraw/zinc/19/01/98/390190198.db2.gz ZLZSXBHGWLTJKH-KGLIPLIRSA-N 1 2 288.326 1.295 10 30 CDEELO N#Cc1ccc(CC[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000660306773 413047626 /nfs/dbraw/zinc/04/76/26/413047626.db2.gz SCLXUTSZSYDMPK-INIZCTEOSA-N 1 2 284.359 1.781 10 30 CDEELO N#Cc1ccc(CC[N@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000660306773 413047630 /nfs/dbraw/zinc/04/76/30/413047630.db2.gz SCLXUTSZSYDMPK-INIZCTEOSA-N 1 2 284.359 1.781 10 30 CDEELO CC(C)OC[C@@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000158563827 390802713 /nfs/dbraw/zinc/80/27/13/390802713.db2.gz 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C[C@H](O)[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000412077763 391437022 /nfs/dbraw/zinc/43/70/22/391437022.db2.gz OPNISNOKZMDJIM-WFASDCNBSA-N 1 2 276.336 1.019 10 30 CDEELO COc1ccccc1[C@H](CO)[NH2+]Cc1nc(C#N)cs1 ZINC000574004646 391668001 /nfs/dbraw/zinc/66/80/01/391668001.db2.gz OTIHDPASFBTNME-LBPRGKRZSA-N 1 2 289.360 1.847 10 30 CDEELO CN(C[C@@H]1CCCO1)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329747164 391769473 /nfs/dbraw/zinc/76/94/73/391769473.db2.gz ZGBSUHIDAXTHSH-QWRGUYRKSA-N 1 2 278.356 1.292 10 30 CDEELO CN(C[C@@H]1CCCO1)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329747164 391769477 /nfs/dbraw/zinc/76/94/77/391769477.db2.gz ZGBSUHIDAXTHSH-QWRGUYRKSA-N 1 2 278.356 1.292 10 30 CDEELO Cc1cc(C#N)cnc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000549785126 392624678 /nfs/dbraw/zinc/62/46/78/392624678.db2.gz QLOMIRMHPSNUJD-UHFFFAOYSA-N 1 2 270.336 1.182 10 30 CDEELO Cc1c(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cnn1C ZINC000519865632 392850927 /nfs/dbraw/zinc/85/09/27/392850927.db2.gz 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CC(C)(CCC#N)C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371328798 267390954 /nfs/dbraw/zinc/39/09/54/267390954.db2.gz ZCMNJKQQWCPNSS-AWEZNQCLSA-N 1 2 260.385 1.989 10 30 CDEELO CC(C)(CCC#N)C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371328798 267390956 /nfs/dbraw/zinc/39/09/56/267390956.db2.gz ZCMNJKQQWCPNSS-AWEZNQCLSA-N 1 2 260.385 1.989 10 30 CDEELO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CC2(C1)CCCOC2 ZINC000329696472 295387518 /nfs/dbraw/zinc/38/75/18/295387518.db2.gz BVDPBDCLJMOKFK-NSHDSACASA-N 1 2 290.367 1.293 10 30 CDEELO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CC2(C1)CCCOC2 ZINC000329696472 295387520 /nfs/dbraw/zinc/38/75/20/295387520.db2.gz BVDPBDCLJMOKFK-NSHDSACASA-N 1 2 290.367 1.293 10 30 CDEELO C#CCCCCC(=O)N1CCOC2(C[NH+](CCC=C)C2)C1 ZINC001673505404 1173864427 /nfs/dbraw/zinc/86/44/27/1173864427.db2.gz CZZUKZMRAZQVEQ-UHFFFAOYSA-N 1 2 290.407 1.669 10 30 CDEELO C[C@H](C(=O)NCCC(=O)N1CCCCC1)[NH+]1CCOCC1 ZINC000328873941 328459203 /nfs/dbraw/zinc/45/92/03/328459203.db2.gz 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ZINC000576947457 335268098 /nfs/dbraw/zinc/26/80/98/335268098.db2.gz RGXDEKYBHTYMNP-RISCZKNCSA-N 1 2 260.341 1.145 10 30 CDEELO C=C[C@](C)(O)CC(=O)NCC1C[NH+](CC(=C)Cl)C1 ZINC001692297645 1175729151 /nfs/dbraw/zinc/72/91/51/1175729151.db2.gz QKQDYJGYFGSVLT-ZDUSSCGKSA-N 1 2 272.776 1.114 10 30 CDEELO C=CCC1(C(=O)N(C)CC[NH2+]Cc2cnon2)CCC1 ZINC001691465380 1159326529 /nfs/dbraw/zinc/32/65/29/1159326529.db2.gz RZWAMUMWJJHKRJ-UHFFFAOYSA-N 1 2 278.356 1.364 10 30 CDEELO C[C@@H](CC#N)[NH2+]Cc1cc(Br)nn1C ZINC000393688816 1159426616 /nfs/dbraw/zinc/42/66/16/1159426616.db2.gz KWVLRIHMLDKJOP-ZETCQYMHSA-N 1 2 257.135 1.574 10 30 CDEELO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](OCC)C(C)C)C1 ZINC001482191401 1160004330 /nfs/dbraw/zinc/00/43/30/1160004330.db2.gz CFHNRHSLJAJNOV-HUUCEWRRSA-N 1 2 298.427 1.441 10 30 CDEELO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](OCC)C(C)C)C1 ZINC001482191401 1160004335 /nfs/dbraw/zinc/00/43/35/1160004335.db2.gz CFHNRHSLJAJNOV-HUUCEWRRSA-N 1 2 298.427 1.441 10 30 CDEELO COCC#CC[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000683038700 483410289 /nfs/dbraw/zinc/41/02/89/483410289.db2.gz MLHLZIFNZBOHBA-INIZCTEOSA-N 1 2 275.348 1.416 10 30 CDEELO COCC#CC[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000683038700 483410295 /nfs/dbraw/zinc/41/02/95/483410295.db2.gz MLHLZIFNZBOHBA-INIZCTEOSA-N 1 2 275.348 1.416 10 30 CDEELO C=CCCC(=O)NC/C=C/C[NH2+][C@@H](C)c1nc(C)no1 ZINC001482987596 1160658406 /nfs/dbraw/zinc/65/84/06/1160658406.db2.gz ISWFPVKHWMFKQM-MLRMMBSGSA-N 1 2 278.356 1.667 10 30 CDEELO CCC[NH2+][C@](C#N)(CN1CCOC[C@@H]1CC)C1CC1 ZINC000069078490 520099348 /nfs/dbraw/zinc/09/93/48/520099348.db2.gz WFACEYKYDRCYQD-LSDHHAIUSA-N 1 2 265.401 1.769 10 30 CDEELO CCN[C@@](C#N)(C[N@@H+]1CCC[C@H](OCC)C1)C1CC1 ZINC000069081183 520125507 /nfs/dbraw/zinc/12/55/07/520125507.db2.gz CZJXXWDKFVAFQM-GJZGRUSLSA-N 1 2 265.401 1.769 10 30 CDEELO CCN[C@@](C#N)(C[N@H+]1CCC[C@H](OCC)C1)C1CC1 ZINC000069081183 520125515 /nfs/dbraw/zinc/12/55/15/520125515.db2.gz CZJXXWDKFVAFQM-GJZGRUSLSA-N 1 2 265.401 1.769 10 30 CDEELO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC(=O)N1C ZINC000336123442 534473096 /nfs/dbraw/zinc/47/30/96/534473096.db2.gz MUQDJWHCMAHTHG-GFCCVEGCSA-N 1 2 257.337 1.415 10 30 CDEELO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC(=O)N1C ZINC000336123442 534473106 /nfs/dbraw/zinc/47/31/06/534473106.db2.gz MUQDJWHCMAHTHG-GFCCVEGCSA-N 1 2 257.337 1.415 10 30 CDEELO CC[N@H+](C[C@@H]1CCCO1)C[C@](C#N)(NC)C1CC1 ZINC000069079537 521226689 /nfs/dbraw/zinc/22/66/89/521226689.db2.gz IALWTGWUVGHATG-KBPBESRZSA-N 1 2 251.374 1.379 10 30 CDEELO CC[N@@H+](C[C@@H]1CCCO1)C[C@](C#N)(NC)C1CC1 ZINC000069079537 521226694 /nfs/dbraw/zinc/22/66/94/521226694.db2.gz IALWTGWUVGHATG-KBPBESRZSA-N 1 2 251.374 1.379 10 30 CDEELO CN[C@@](C#N)(C[N@H+](C)C[C@@H]1CCCOC1)C1CC1 ZINC000069083872 522402239 /nfs/dbraw/zinc/40/22/39/522402239.db2.gz SDGNDPYISCHCMX-JSGCOSHPSA-N 1 2 251.374 1.237 10 30 CDEELO CN[C@@](C#N)(C[N@@H+](C)C[C@@H]1CCCOC1)C1CC1 ZINC000069083872 522402250 /nfs/dbraw/zinc/40/22/50/522402250.db2.gz SDGNDPYISCHCMX-JSGCOSHPSA-N 1 2 251.374 1.237 10 30 CDEELO C[C@@H](C#N)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000049538331 526237388 /nfs/dbraw/zinc/23/73/88/526237388.db2.gz YLIXKKUVXACMFM-WDEREUQCSA-N 1 2 266.366 1.900 10 30 CDEELO C=CCCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000366875576 527226108 /nfs/dbraw/zinc/22/61/08/527226108.db2.gz JBWHECRUXFSXRH-CQSZACIVSA-N 1 2 266.385 1.712 10 30 CDEELO C=CCCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000366875576 527226109 /nfs/dbraw/zinc/22/61/09/527226109.db2.gz JBWHECRUXFSXRH-CQSZACIVSA-N 1 2 266.385 1.712 10 30 CDEELO CC[C@](C)(C#N)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000352261599 529347361 /nfs/dbraw/zinc/34/73/61/529347361.db2.gz VSUKCPARWAAPPF-OAHLLOKOSA-N 1 2 289.383 1.004 10 30 CDEELO CN1CC[C@@H](O[NH+]=C(N)c2ccc(Cl)cc2)C1=O ZINC000734834328 575389768 /nfs/dbraw/zinc/38/97/68/575389768.db2.gz IKQGJKXYUBXBTQ-SNVBAGLBSA-N 1 2 267.716 1.208 10 30 CDEELO C#CCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000733357666 575116759 /nfs/dbraw/zinc/11/67/59/575116759.db2.gz YTMAGGOJDWQVQW-UHFFFAOYSA-N 1 2 277.393 1.599 10 30 CDEELO C#CCNC(=O)C[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000773535014 575800306 /nfs/dbraw/zinc/80/03/06/575800306.db2.gz HPKKVEZUXXXKEM-UHFFFAOYSA-N 1 2 285.372 1.445 10 30 CDEELO NC(=O)[C@@H]1CCC[C@H](/[NH+]=C\c2cccc(O)c2O)C1 ZINC000764414145 575905001 /nfs/dbraw/zinc/90/50/01/575905001.db2.gz OZLNENYQOVWXIQ-PVADGALYSA-N 1 2 262.309 1.561 10 30 CDEELO CC(Cn1ccccc1=O)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000761828958 576595859 /nfs/dbraw/zinc/59/58/59/576595859.db2.gz XHCDPBHXJBKDEY-STQMWFEESA-N 1 2 287.367 1.084 10 30 CDEELO C=CC[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccncc1 ZINC000746269578 576767165 /nfs/dbraw/zinc/76/71/65/576767165.db2.gz DHRHKNUDBWHLQR-CYBMUJFWSA-N 1 2 256.309 1.712 10 30 CDEELO COC(=O)/C(C)=C\C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000748812603 576926023 /nfs/dbraw/zinc/92/60/23/576926023.db2.gz KMWRCSPGVIPFKI-AUWJEWJLSA-N 1 2 299.374 1.800 10 30 CDEELO C#CC[NH+](CC#C)CC(=O)NCCc1c(C)cc(C)cc1C ZINC000752302789 577098567 /nfs/dbraw/zinc/09/85/67/577098567.db2.gz RHDCXJYWOJGCQU-UHFFFAOYSA-N 1 2 296.414 1.839 10 30 CDEELO CCOCCNC(=O)CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000753173366 577151453 /nfs/dbraw/zinc/15/14/53/577151453.db2.gz YMZMFNRMBSGMAQ-UHFFFAOYSA-N 1 2 299.758 1.130 10 30 CDEELO C=CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC(C)C ZINC001688885843 1175053447 /nfs/dbraw/zinc/05/34/47/1175053447.db2.gz BYOUBJIUXFBXAN-CQSZACIVSA-N 1 2 295.427 1.400 10 30 CDEELO C=CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC(C)C ZINC001688885843 1175053451 /nfs/dbraw/zinc/05/34/51/1175053451.db2.gz BYOUBJIUXFBXAN-CQSZACIVSA-N 1 2 295.427 1.400 10 30 CDEELO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)C(C)C)CC2)C1 ZINC000941591916 613529694 /nfs/dbraw/zinc/52/96/94/613529694.db2.gz DFJNEKPKENFCNL-OAHLLOKOSA-N 1 2 291.439 1.130 10 30 CDEELO CC[C@@H]([NH2+][C@H](C)CC(=O)NC)c1cccc(C#N)c1O ZINC000926538572 618028484 /nfs/dbraw/zinc/02/84/84/618028484.db2.gz SJXVHBXECVBZDO-ZWNOBZJWSA-N 1 2 275.352 1.829 10 30 CDEELO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000934459407 617595261 /nfs/dbraw/zinc/59/52/61/617595261.db2.gz FCKATLPBXZVZMK-SNVBAGLBSA-N 1 2 288.307 1.919 10 30 CDEELO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000934459407 617595263 /nfs/dbraw/zinc/59/52/63/617595263.db2.gz FCKATLPBXZVZMK-SNVBAGLBSA-N 1 2 288.307 1.919 10 30 CDEELO C=CCCCOC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923775124 618202666 /nfs/dbraw/zinc/20/26/66/618202666.db2.gz BYQCUPWMZJSKQZ-KGLIPLIRSA-N 1 2 283.368 1.376 10 30 CDEELO C#CC[C@H]([NH2+][C@@H](C)CC[P@@](C)(=O)OCC)C(=O)OC ZINC000877583356 618692107 /nfs/dbraw/zinc/69/21/07/618692107.db2.gz PJXHYJQBTBNANP-ZKTNFTSUSA-N 1 2 289.312 1.864 10 30 CDEELO C#CC[C@H]([NH2+]CC1(CCCOC)CCC1)C(=O)OC ZINC000894857485 619103482 /nfs/dbraw/zinc/10/34/82/619103482.db2.gz AOTVTEVCLMCJPZ-ZDUSSCGKSA-N 1 2 267.369 1.738 10 30 CDEELO C=CCn1cc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)nn1 ZINC000898007491 621259478 /nfs/dbraw/zinc/25/94/78/621259478.db2.gz RZDFOLJQUXNQGA-UHFFFAOYSA-N 1 2 288.355 1.021 10 30 CDEELO C=C(C)C[N@H+](C)CN1C(=O)[C@@H]2C[C@]2(c2ccccc2)C1=O ZINC000902214992 624538593 /nfs/dbraw/zinc/53/85/93/624538593.db2.gz YMUJJNRGAGJATJ-WMLDXEAASA-N 1 2 284.359 1.779 10 30 CDEELO C=C(C)C[N@@H+](C)CN1C(=O)[C@@H]2C[C@]2(c2ccccc2)C1=O ZINC000902214992 624538599 /nfs/dbraw/zinc/53/85/99/624538599.db2.gz YMUJJNRGAGJATJ-WMLDXEAASA-N 1 2 284.359 1.779 10 30 CDEELO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2cccc(C)c2)no1 ZINC000904081190 626188118 /nfs/dbraw/zinc/18/81/18/626188118.db2.gz OGUNJJBZXLQDAX-LBPRGKRZSA-N 1 2 287.319 1.644 10 30 CDEELO C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](NC(=O)[O-])C23CCC3)CC1 ZINC000904216532 626221984 /nfs/dbraw/zinc/22/19/84/626221984.db2.gz SWSFLGLAHBJTMN-UONOGXRCSA-N 1 2 293.411 1.805 10 30 CDEELO C=CCC(C)(C)CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000908396022 628180589 /nfs/dbraw/zinc/18/05/89/628180589.db2.gz DDAUIVVLWMZVQZ-SDNWHVSQSA-N 1 2 280.412 1.983 10 30 CDEELO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000878315064 712764632 /nfs/dbraw/zinc/76/46/32/712764632.db2.gz FGZIEEWFTPOWLF-IUCAKERBSA-N 1 2 251.248 1.988 10 30 CDEELO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000878315064 712764634 /nfs/dbraw/zinc/76/46/34/712764634.db2.gz FGZIEEWFTPOWLF-IUCAKERBSA-N 1 2 251.248 1.988 10 30 CDEELO Cc1nnc(C[NH2+]C[C@H](NC(=O)C#CC(C)C)C2CC2)o1 ZINC001670469060 1158613094 /nfs/dbraw/zinc/61/30/94/1158613094.db2.gz DXLYQEZWEJSXOZ-ZDUSSCGKSA-N 1 2 290.367 1.022 10 30 CDEELO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)OC1CCCC1 ZINC001670697105 1158696838 /nfs/dbraw/zinc/69/68/38/1158696838.db2.gz VJEMGBRTWOPTJF-GDBMZVCRSA-N 1 2 292.423 1.938 10 30 CDEELO COc1c(C)c[nH+]c(CNC(=O)c2cc(C#N)ccn2)c1C ZINC000806708576 1162699738 /nfs/dbraw/zinc/69/97/38/1162699738.db2.gz NNYAOTSVLCVCRH-UHFFFAOYSA-N 1 2 296.330 1.904 10 30 CDEELO C#Cc1cncc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000807021963 1162725865 /nfs/dbraw/zinc/72/58/65/1162725865.db2.gz OZGUSMAEMZQDNL-UHFFFAOYSA-N 1 2 280.331 1.806 10 30 CDEELO C#Cc1cncc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000807021963 1162725871 /nfs/dbraw/zinc/72/58/71/1162725871.db2.gz OZGUSMAEMZQDNL-UHFFFAOYSA-N 1 2 280.331 1.806 10 30 CDEELO CC[N@H+](CCNC(=O)C#CC(C)C)Cc1nc(C)c(C)o1 ZINC001691017608 1158533875 /nfs/dbraw/zinc/53/38/75/1158533875.db2.gz MWCKBVFWLMEQOV-UHFFFAOYSA-N 1 2 291.395 1.889 10 30 CDEELO CC[N@@H+](CCNC(=O)C#CC(C)C)Cc1nc(C)c(C)o1 ZINC001691017608 1158533879 /nfs/dbraw/zinc/53/38/79/1158533879.db2.gz MWCKBVFWLMEQOV-UHFFFAOYSA-N 1 2 291.395 1.889 10 30 CDEELO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)OC1CCCC1 ZINC001670697105 1158696833 /nfs/dbraw/zinc/69/68/33/1158696833.db2.gz VJEMGBRTWOPTJF-GDBMZVCRSA-N 1 2 292.423 1.938 10 30 CDEELO C=CCC[N@@H+](C)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001700464689 1160675594 /nfs/dbraw/zinc/67/55/94/1160675594.db2.gz WAGNHCAOEMZADC-RKDXNWHRSA-N 1 2 270.270 1.899 10 30 CDEELO C=CCC[N@H+](C)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001700464689 1160675597 /nfs/dbraw/zinc/67/55/97/1160675597.db2.gz WAGNHCAOEMZADC-RKDXNWHRSA-N 1 2 270.270 1.899 10 30 CDEELO C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001700464689 1160675601 /nfs/dbraw/zinc/67/56/01/1160675601.db2.gz WAGNHCAOEMZADC-RKDXNWHRSA-N 1 2 270.270 1.899 10 30 CDEELO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001700464689 1160675602 /nfs/dbraw/zinc/67/56/02/1160675602.db2.gz WAGNHCAOEMZADC-RKDXNWHRSA-N 1 2 270.270 1.899 10 30 CDEELO O=C1C=C([NH2+]Nc2ccc3c(cc[nH]c3=O)c2)[C@H]2CCCN12 ZINC000789070762 1162069183 /nfs/dbraw/zinc/06/91/83/1162069183.db2.gz LTUXODIYQJJGPU-CQSZACIVSA-N 1 2 296.330 1.691 10 30 CDEELO O=C(C#CC1CC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001136175996 1164194912 /nfs/dbraw/zinc/19/49/12/1164194912.db2.gz BPGHQYOAZOYXOS-UHFFFAOYSA-N 1 2 279.343 1.961 10 30 CDEELO COc1ccc(C(N)=[NH+]OCc2ccnc(C)n2)cc1 ZINC000794714214 1164575238 /nfs/dbraw/zinc/57/52/38/1164575238.db2.gz CJWGTNHNVWWCTF-UHFFFAOYSA-N 1 2 272.308 1.631 10 30 CDEELO N#CCc1ccsc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000865878597 1164704234 /nfs/dbraw/zinc/70/42/34/1164704234.db2.gz TVWWQKROJFNCKA-UHFFFAOYSA-N 1 2 272.333 1.708 10 30 CDEELO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cccc(C#N)c1O ZINC000866226337 1164755826 /nfs/dbraw/zinc/75/58/26/1164755826.db2.gz MEYCABDGUXMQFU-SNVBAGLBSA-N 1 2 283.335 1.652 10 30 CDEELO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866337271 1164770047 /nfs/dbraw/zinc/77/00/47/1164770047.db2.gz WMGYGOBRXJEOFG-LLVKDONJSA-N 1 2 294.376 1.515 10 30 CDEELO COCC#CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001611053426 1165480746 /nfs/dbraw/zinc/48/07/46/1165480746.db2.gz ZCIHARWDAOHWLD-ZDUSSCGKSA-N 1 2 283.331 1.699 10 30 CDEELO C=CC(C)(C)CC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001623682986 1165785383 /nfs/dbraw/zinc/78/53/83/1165785383.db2.gz YNVFSVCFTXRQRV-ZDUSSCGKSA-N 1 2 294.395 1.485 10 30 CDEELO C#C[C@H]1COCCN1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000876204019 1165819906 /nfs/dbraw/zinc/81/99/06/1165819906.db2.gz ISVJYUVJGDOJQQ-HOCLYGCPSA-N 1 2 299.374 1.217 10 30 CDEELO C#C[C@H]1COCCN1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000876204019 1165819911 /nfs/dbraw/zinc/81/99/11/1165819911.db2.gz ISVJYUVJGDOJQQ-HOCLYGCPSA-N 1 2 299.374 1.217 10 30 CDEELO C#CC[N@@H+](Cc1ccc(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000876625443 1165882964 /nfs/dbraw/zinc/88/29/64/1165882964.db2.gz VVKOLQQDQZBZMX-AWEZNQCLSA-N 1 2 293.388 1.323 10 30 CDEELO C#CC[N@H+](Cc1ccc(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000876625443 1165882969 /nfs/dbraw/zinc/88/29/69/1165882969.db2.gz VVKOLQQDQZBZMX-AWEZNQCLSA-N 1 2 293.388 1.323 10 30 CDEELO C#Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC001629136725 1166116284 /nfs/dbraw/zinc/11/62/84/1166116284.db2.gz KJEWGAPOXNNDAW-UHFFFAOYSA-N 1 2 251.289 1.520 10 30 CDEELO C=C(Cl)C[N@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879228208 1166318420 /nfs/dbraw/zinc/31/84/20/1166318420.db2.gz HAKAGMQHFCDUKU-UHFFFAOYSA-N 1 2 264.756 1.825 10 30 CDEELO C=C(Cl)C[N@@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879228208 1166318424 /nfs/dbraw/zinc/31/84/24/1166318424.db2.gz HAKAGMQHFCDUKU-UHFFFAOYSA-N 1 2 264.756 1.825 10 30 CDEELO C=CC[NH+]1CCN(C(=O)Cc2cncs2)CC1 ZINC001642867634 1167206187 /nfs/dbraw/zinc/20/61/87/1167206187.db2.gz CYIRXOIUYWAXER-UHFFFAOYSA-N 1 2 251.355 1.016 10 30 CDEELO CCCCCCCCC[NH+]1CC(S(N)(=O)=O)C1 ZINC001643385026 1167246504 /nfs/dbraw/zinc/24/65/04/1167246504.db2.gz OODPIOCIXZDIKM-UHFFFAOYSA-N 1 2 262.419 1.710 10 30 CDEELO C=CCN1CC[NH+](CCN(C)C(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001567720718 1168933798 /nfs/dbraw/zinc/93/37/98/1168933798.db2.gz HIXWMFNIPYVAHF-CVEARBPZSA-N 1 2 293.455 1.541 10 30 CDEELO C=CC[NH+]1CC(NC(=O)CCc2ccc(OC)c(F)c2)C1 ZINC001567800394 1168982104 /nfs/dbraw/zinc/98/21/04/1168982104.db2.gz LPAOCYDEFJWEAL-UHFFFAOYSA-N 1 2 292.354 1.753 10 30 CDEELO CC(C)C1(O)CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC001655088753 1171665955 /nfs/dbraw/zinc/66/59/55/1171665955.db2.gz USLRHJZDYLVGSR-UHFFFAOYSA-N 1 2 265.382 1.998 10 30 CDEELO Cc1cc(C)c(C(=O)NC[C@H](C)NCC#N)c(C)[nH+]1 ZINC001662287829 1172521698 /nfs/dbraw/zinc/52/16/98/1172521698.db2.gz IPYQRCOIYRUOJF-NSHDSACASA-N 1 2 260.341 1.238 10 30 CDEELO C=CC(C)(C)C(=O)N(C)CC[NH2+]Cc1ncc(CC)o1 ZINC001664115668 1172812194 /nfs/dbraw/zinc/81/21/94/1172812194.db2.gz GFCCVGLGCOSKRZ-UHFFFAOYSA-N 1 2 279.384 1.997 10 30 CDEELO C#CCOc1ccc(NC(=O)NCc2ccc[nH+]c2N)cc1 ZINC001668519143 1173422415 /nfs/dbraw/zinc/42/24/15/1173422415.db2.gz HGVWVMZNSRRDQI-UHFFFAOYSA-N 1 2 296.330 1.998 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)C[C@@H](C)n2cccc2)C1 ZINC001672132911 1173745645 /nfs/dbraw/zinc/74/56/45/1173745645.db2.gz SEIZTUNCUSEKFZ-CQSZACIVSA-N 1 2 291.395 1.178 10 30 CDEELO Cc1nnc([C@H](C)[NH2+][C@@H](C)CNC(=O)C#CC(C)C)o1 ZINC001690573389 1175507596 /nfs/dbraw/zinc/50/75/96/1175507596.db2.gz UPFBIBCREZGZES-QWRGUYRKSA-N 1 2 278.356 1.193 10 30 CDEELO C=CCCO[C@H](C)C(=O)NC1C[NH+](CC=C(C)C)C1 ZINC001692178289 1175693643 /nfs/dbraw/zinc/69/36/43/1175693643.db2.gz VSMYXXQOOBPDQP-CYBMUJFWSA-N 1 2 266.385 1.734 10 30 CDEELO C#CCCCC(=O)NC1C[NH+](CCn2nc(C)cc2C)C1 ZINC001692189707 1175697315 /nfs/dbraw/zinc/69/73/15/1175697315.db2.gz MENHZCJQLJWHBD-UHFFFAOYSA-N 1 2 288.395 1.104 10 30 CDEELO C=CC[N@H+]1CC[C@@H](N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001698560544 1175841689 /nfs/dbraw/zinc/84/16/89/1175841689.db2.gz MABUORFNXLILEK-BDAKNGLRSA-N 1 2 268.254 1.606 10 30 CDEELO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001698560544 1175841694 /nfs/dbraw/zinc/84/16/94/1175841694.db2.gz MABUORFNXLILEK-BDAKNGLRSA-N 1 2 268.254 1.606 10 30 CDEELO C=CCC(C)(C)C(=O)N(C)CC[N@@H+](C)CC(=O)NC(C)C ZINC001698997801 1176028232 /nfs/dbraw/zinc/02/82/32/1176028232.db2.gz ZMGWQMIPJNDQRO-UHFFFAOYSA-N 1 2 297.443 1.504 10 30 CDEELO C=CCC(C)(C)C(=O)N(C)CC[N@H+](C)CC(=O)NC(C)C ZINC001698997801 1176028237 /nfs/dbraw/zinc/02/82/37/1176028237.db2.gz ZMGWQMIPJNDQRO-UHFFFAOYSA-N 1 2 297.443 1.504 10 30 CDEELO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001699630409 1176527159 /nfs/dbraw/zinc/52/71/59/1176527159.db2.gz NOYLZBHAQKFUNB-KGLIPLIRSA-N 1 2 293.411 1.012 10 30 CDEELO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001699630409 1176527162 /nfs/dbraw/zinc/52/71/62/1176527162.db2.gz NOYLZBHAQKFUNB-KGLIPLIRSA-N 1 2 293.411 1.012 10 30 CDEELO C#CCCCC(=O)NCC1([NH2+][C@H](C)c2csnn2)CC1 ZINC001699649798 1176547862 /nfs/dbraw/zinc/54/78/62/1176547862.db2.gz CPROFLLYMCYCPK-LLVKDONJSA-N 1 2 292.408 1.641 10 30 CDEELO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccon1 ZINC001700111955 1176751059 /nfs/dbraw/zinc/75/10/59/1176751059.db2.gz UUQIGCZIGNNBRO-LBPRGKRZSA-N 1 2 279.340 1.071 10 30 CDEELO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccon1 ZINC001700111955 1176751064 /nfs/dbraw/zinc/75/10/64/1176751064.db2.gz UUQIGCZIGNNBRO-LBPRGKRZSA-N 1 2 279.340 1.071 10 30 CDEELO Cc1nnsc1C[N@@H+](C)[C@H](C)CNC(=O)C#CC1CC1 ZINC001700461839 1176951920 /nfs/dbraw/zinc/95/19/20/1176951920.db2.gz VCPNJWPTIAFSIO-SNVBAGLBSA-N 1 2 292.408 1.196 10 30 CDEELO Cc1nnsc1C[N@H+](C)[C@H](C)CNC(=O)C#CC1CC1 ZINC001700461839 1176951929 /nfs/dbraw/zinc/95/19/29/1176951929.db2.gz VCPNJWPTIAFSIO-SNVBAGLBSA-N 1 2 292.408 1.196 10 30 CDEELO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[C@H](C)OC)C2)C1 ZINC001700561799 1177015684 /nfs/dbraw/zinc/01/56/84/1177015684.db2.gz WCGMLTWYWBOBLD-HOCLYGCPSA-N 1 2 296.411 1.291 10 30 CDEELO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[C@H](C)OC)C2)C1 ZINC001700561799 1177015691 /nfs/dbraw/zinc/01/56/91/1177015691.db2.gz WCGMLTWYWBOBLD-HOCLYGCPSA-N 1 2 296.411 1.291 10 30 CDEELO CN(CC#N)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001707386191 1178008178 /nfs/dbraw/zinc/00/81/78/1178008178.db2.gz OZWKMXOROZVIJT-UHFFFAOYSA-N 1 2 271.324 1.138 10 30 CDEELO CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001713392464 1178535141 /nfs/dbraw/zinc/53/51/41/1178535141.db2.gz QIHBLURHFLRKCB-MNOVXSKESA-N 1 2 294.292 1.833 10 30 CDEELO CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001713392464 1178535147 /nfs/dbraw/zinc/53/51/47/1178535147.db2.gz QIHBLURHFLRKCB-MNOVXSKESA-N 1 2 294.292 1.833 10 30 CDEELO CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001713392464 1178535153 /nfs/dbraw/zinc/53/51/53/1178535153.db2.gz QIHBLURHFLRKCB-MNOVXSKESA-N 1 2 294.292 1.833 10 30 CDEELO CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001713392464 1178535162 /nfs/dbraw/zinc/53/51/62/1178535162.db2.gz QIHBLURHFLRKCB-MNOVXSKESA-N 1 2 294.292 1.833 10 30 CDEELO Cc1ncc(C[N@H+](C)CCNC(=O)C#CC(C)(C)C)o1 ZINC001713451635 1178571709 /nfs/dbraw/zinc/57/17/09/1178571709.db2.gz MPZYUDJMPWXWQN-UHFFFAOYSA-N 1 2 277.368 1.581 10 30 CDEELO Cc1ncc(C[N@@H+](C)CCNC(=O)C#CC(C)(C)C)o1 ZINC001713451635 1178571714 /nfs/dbraw/zinc/57/17/14/1178571714.db2.gz MPZYUDJMPWXWQN-UHFFFAOYSA-N 1 2 277.368 1.581 10 30 CDEELO C=C(C)C[N@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001713453833 1178572987 /nfs/dbraw/zinc/57/29/87/1178572987.db2.gz RCJFMAMBEPULFG-QMMMGPOBSA-N 1 2 256.243 1.511 10 30 CDEELO C=C(C)C[N@@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001713453833 1178572990 /nfs/dbraw/zinc/57/29/90/1178572990.db2.gz RCJFMAMBEPULFG-QMMMGPOBSA-N 1 2 256.243 1.511 10 30 CDEELO C=C(C)C[N@H+](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001713453833 1178572996 /nfs/dbraw/zinc/57/29/96/1178572996.db2.gz RCJFMAMBEPULFG-QMMMGPOBSA-N 1 2 256.243 1.511 10 30 CDEELO C=C(C)C[N@@H+](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001713453833 1178572999 /nfs/dbraw/zinc/57/29/99/1178572999.db2.gz RCJFMAMBEPULFG-QMMMGPOBSA-N 1 2 256.243 1.511 10 30 CDEELO CC[N@H+](CCNC(C)=O)Cc1cc(F)ccc1C#N ZINC001713478557 1178595252 /nfs/dbraw/zinc/59/52/52/1178595252.db2.gz ANWWDIIPKNFLBN-UHFFFAOYSA-N 1 2 263.316 1.655 10 30 CDEELO CC[N@@H+](CCNC(C)=O)Cc1cc(F)ccc1C#N ZINC001713478557 1178595257 /nfs/dbraw/zinc/59/52/57/1178595257.db2.gz ANWWDIIPKNFLBN-UHFFFAOYSA-N 1 2 263.316 1.655 10 30 CDEELO CC(C)C#CC(=O)NC[C@@H]1CC[N@H+](Cc2ncccn2)C1 ZINC001713527806 1178627003 /nfs/dbraw/zinc/62/70/03/1178627003.db2.gz FKMNSDNVLUUXCQ-AWEZNQCLSA-N 1 2 286.379 1.074 10 30 CDEELO CC(C)C#CC(=O)NC[C@@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC001713527806 1178627006 /nfs/dbraw/zinc/62/70/06/1178627006.db2.gz FKMNSDNVLUUXCQ-AWEZNQCLSA-N 1 2 286.379 1.074 10 30 CDEELO C=C(C)C[NH+]1CC(NC(=O)COc2ccccc2)C1 ZINC001713853402 1178794470 /nfs/dbraw/zinc/79/44/70/1178794470.db2.gz JBAZHYMZIRGJMB-UHFFFAOYSA-N 1 2 260.337 1.442 10 30 CDEELO C#CCCCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1csnn1 ZINC001714227651 1179031894 /nfs/dbraw/zinc/03/18/94/1179031894.db2.gz DCMMMLMVYCQDTH-GHMZBOCLSA-N 1 2 280.397 1.497 10 30 CDEELO C=CCOCC[NH+]1CC(NC(=O)CCc2cccnc2)C1 ZINC001714940038 1179467293 /nfs/dbraw/zinc/46/72/93/1179467293.db2.gz ABRHBOOUHVTZQF-UHFFFAOYSA-N 1 2 289.379 1.017 10 30 CDEELO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)OCCCC ZINC001716645223 1180326145 /nfs/dbraw/zinc/32/61/45/1180326145.db2.gz KRMUNKVUXKAQCE-CHWSQXEVSA-N 1 2 252.358 1.015 10 30 CDEELO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)OCCCC ZINC001716645223 1180326151 /nfs/dbraw/zinc/32/61/51/1180326151.db2.gz KRMUNKVUXKAQCE-CHWSQXEVSA-N 1 2 252.358 1.015 10 30 CDEELO C[C@H](C#N)C(=O)N(C)C1C[NH+](Cc2ccccc2)C1 ZINC001716737865 1180390114 /nfs/dbraw/zinc/39/01/14/1180390114.db2.gz 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C#CCC[NH2+]CCN(CC)C(=O)C(F)C(F)(F)F ZINC001268452059 902098342 /nfs/dbraw/zinc/09/83/42/902098342.db2.gz VCECYGCHUUNXII-SECBINFHSA-N 1 2 268.254 1.348 10 30 CDEELO C#CCC[NH2+]CCN(CC)C(=O)[C@@H](F)C(F)(F)F ZINC001268452059 902098349 /nfs/dbraw/zinc/09/83/49/902098349.db2.gz VCECYGCHUUNXII-SECBINFHSA-N 1 2 268.254 1.348 10 30 CDEELO C=C(C)C[NH+]1CC(N(C)C(=O)C(C)(C)CCOC)C1 ZINC001269866878 904168749 /nfs/dbraw/zinc/16/87/49/904168749.db2.gz MPDRVNFBSOSHBZ-UHFFFAOYSA-N 1 2 268.401 1.768 10 30 CDEELO C=C(C)C[NH+]1CC(O)(CNC(=O)CC[C@@H]2CC[C@H](C)O2)C1 ZINC001271394200 906295880 /nfs/dbraw/zinc/29/58/80/906295880.db2.gz WSCNBOAYXUFOLH-KBPBESRZSA-N 1 2 296.411 1.073 10 30 CDEELO C=CC(C)(C)C(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001483043427 908819303 /nfs/dbraw/zinc/81/93/03/908819303.db2.gz IKWLSUKHHHVZFR-AATRIKPKSA-N 1 2 264.329 1.044 10 30 CDEELO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCCC1 ZINC001483621843 911563393 /nfs/dbraw/zinc/56/33/93/911563393.db2.gz JYVBMXAJAJUWLI-AWEZNQCLSA-N 1 2 264.369 1.017 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276.380 1.020 10 30 CDEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)C1CCC1)O2 ZINC001484785611 916156564 /nfs/dbraw/zinc/15/65/64/916156564.db2.gz ZEJDHSGYUPVARF-DZGCQCFKSA-N 1 2 292.423 1.958 10 30 CDEELO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001365988230 916230099 /nfs/dbraw/zinc/23/00/99/916230099.db2.gz PWDPBAXSOFPRCJ-TZMCWYRMSA-N 1 2 286.803 1.481 10 30 CDEELO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001365988230 916230116 /nfs/dbraw/zinc/23/01/16/916230116.db2.gz PWDPBAXSOFPRCJ-TZMCWYRMSA-N 1 2 286.803 1.481 10 30 CDEELO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCCC#CC)C2)C1 ZINC001485555271 917083216 /nfs/dbraw/zinc/08/32/16/917083216.db2.gz IPBWELJPHGSOEH-QGZVFWFLSA-N 1 2 288.391 1.117 10 30 CDEELO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCCC#CC)C2)C1 ZINC001485555271 917083226 /nfs/dbraw/zinc/08/32/26/917083226.db2.gz IPBWELJPHGSOEH-QGZVFWFLSA-N 1 2 288.391 1.117 10 30 CDEELO CCc1[nH]c(CNc2cnc(C#N)c(C#N)n2)c[nH+]1 ZINC001187739948 920641817 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C=CCN1CCN(C[N@H+]2CCC[C@@H](OC(F)F)C2)C1=O ZINC000840044284 936934962 /nfs/dbraw/zinc/93/49/62/936934962.db2.gz PWIOBASIGSGBDA-LLVKDONJSA-N 1 2 289.326 1.571 10 30 CDEELO C=CCN1CCN(C[N@@H+]2CCC[C@@H](OC(F)F)C2)C1=O ZINC000840044284 936934964 /nfs/dbraw/zinc/93/49/64/936934964.db2.gz PWIOBASIGSGBDA-LLVKDONJSA-N 1 2 289.326 1.571 10 30 CDEELO C[C@@H]1COCC[N@@H+]1CCN(C)[C@H]1CCC[C@@H]1C#N ZINC001196834419 924990553 /nfs/dbraw/zinc/99/05/53/924990553.db2.gz ZKAFNEPEBUHPHT-MCIONIFRSA-N 1 2 251.374 1.331 10 30 CDEELO C[C@@H]1COCC[N@H+]1CCN(C)[C@H]1CCC[C@@H]1C#N ZINC001196834419 924990556 /nfs/dbraw/zinc/99/05/56/924990556.db2.gz ZKAFNEPEBUHPHT-MCIONIFRSA-N 1 2 251.374 1.331 10 30 CDEELO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1nnnn1C ZINC001198450787 925424733 /nfs/dbraw/zinc/42/47/33/925424733.db2.gz OHOJVYOTAOOMIB-SNVBAGLBSA-N 1 2 259.288 1.052 10 30 CDEELO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000842867848 937087210 /nfs/dbraw/zinc/08/72/10/937087210.db2.gz UXUFUKXUMZRDST-LBPRGKRZSA-N 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QTQYVNCBFXFWIZ-CABCVRRESA-N 1 2 285.347 1.022 10 30 CDEELO C=C1CC[NH+](Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000638034425 367698520 /nfs/dbraw/zinc/69/85/20/367698520.db2.gz DKQJTFNZCRTKAZ-UHFFFAOYSA-N 1 2 284.356 1.625 10 30 CDEELO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1c[nH+]ccc1OC ZINC000579584966 372600685 /nfs/dbraw/zinc/60/06/85/372600685.db2.gz RPUQGFOOVRWGFX-AAEUAGOBSA-N 1 2 291.351 1.481 10 30 CDEELO CCc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1OC ZINC000579584130 372600950 /nfs/dbraw/zinc/60/09/50/372600950.db2.gz FGOKXXHDWDOKSN-OAHLLOKOSA-N 1 2 291.395 1.876 10 30 CDEELO CCc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1OC ZINC000579584130 372600955 /nfs/dbraw/zinc/60/09/55/372600955.db2.gz FGOKXXHDWDOKSN-OAHLLOKOSA-N 1 2 291.395 1.876 10 30 CDEELO CN(C)c1[nH+]cccc1NC(=O)c1ccnc(C#N)c1 ZINC000192838781 373646156 /nfs/dbraw/zinc/64/61/56/373646156.db2.gz KYEIFMPHEYGORU-UHFFFAOYSA-N 1 2 267.292 1.667 10 30 CDEELO CC(C)OC[C@@H](CO)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356301336 373839923 /nfs/dbraw/zinc/83/99/23/373839923.db2.gz LZNXYCFFRJNYER-LLVKDONJSA-N 1 2 269.370 1.232 10 30 CDEELO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356301336 373839928 /nfs/dbraw/zinc/83/99/28/373839928.db2.gz LZNXYCFFRJNYER-LLVKDONJSA-N 1 2 269.370 1.232 10 30 CDEELO N#Cc1ccc2ncc(CNc3ccc(CO)c[nH+]3)n2c1 ZINC000356332162 373841902 /nfs/dbraw/zinc/84/19/02/373841902.db2.gz FHEKQMASNUMMGT-UHFFFAOYSA-N 1 2 279.303 1.705 10 30 CDEELO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CCC1=O ZINC000275200670 374690874 /nfs/dbraw/zinc/69/08/74/374690874.db2.gz FTYYPSCGEVMHKU-GFCCVEGCSA-N 1 2 258.321 1.848 10 30 CDEELO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCC1=O ZINC000275200670 374690880 /nfs/dbraw/zinc/69/08/80/374690880.db2.gz FTYYPSCGEVMHKU-GFCCVEGCSA-N 1 2 258.321 1.848 10 30 CDEELO C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC(=O)N1C ZINC000282253462 375075754 /nfs/dbraw/zinc/07/57/54/375075754.db2.gz QNKLWFMVHFMXQD-ZDUSSCGKSA-N 1 2 287.363 1.490 10 30 CDEELO C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC(=O)N1C ZINC000282253462 375075764 /nfs/dbraw/zinc/07/57/64/375075764.db2.gz QNKLWFMVHFMXQD-ZDUSSCGKSA-N 1 2 287.363 1.490 10 30 CDEELO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000128257215 375115645 /nfs/dbraw/zinc/11/56/45/375115645.db2.gz CFMFUXSHDTVIMN-CYBMUJFWSA-N 1 2 252.358 1.202 10 30 CDEELO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000128257215 375115650 /nfs/dbraw/zinc/11/56/50/375115650.db2.gz CFMFUXSHDTVIMN-CYBMUJFWSA-N 1 2 252.358 1.202 10 30 CDEELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)CC#N)c2cccs2)CCO1 ZINC000248503456 377286815 /nfs/dbraw/zinc/28/68/15/377286815.db2.gz USPNASJJXFBJDH-VXGBXAGGSA-N 1 2 293.392 1.540 10 30 CDEELO C[C@@H]1C[N@H+]([C@H](CNC(=O)CC#N)c2cccs2)CCO1 ZINC000248503456 377286825 /nfs/dbraw/zinc/28/68/25/377286825.db2.gz USPNASJJXFBJDH-VXGBXAGGSA-N 1 2 293.392 1.540 10 30 CDEELO C=C(C)CS(=O)(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000632732571 377806391 /nfs/dbraw/zinc/80/63/91/377806391.db2.gz ASFCEGIZBSVBTR-UHFFFAOYSA-N 1 2 257.359 1.114 10 30 CDEELO C=CCCCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000280171957 377928282 /nfs/dbraw/zinc/92/82/82/377928282.db2.gz SXESPBIPZVFUDZ-UHFFFAOYSA-N 1 2 262.357 1.913 10 30 CDEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185188278 378615476 /nfs/dbraw/zinc/61/54/76/378615476.db2.gz GEVGHAZPCLKWAM-GDBMZVCRSA-N 1 2 294.395 1.067 10 30 CDEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185188278 378615482 /nfs/dbraw/zinc/61/54/82/378615482.db2.gz GEVGHAZPCLKWAM-GDBMZVCRSA-N 1 2 294.395 1.067 10 30 CDEELO CCc1nnc([C@H]2C[N@H+](Cc3ccc(C#N)cc3)CCO2)[nH]1 ZINC000173687830 378890103 /nfs/dbraw/zinc/89/01/03/378890103.db2.gz UKDZQBWYYWDMOH-CQSZACIVSA-N 1 2 297.362 1.812 10 30 CDEELO CCc1nnc([C@H]2C[N@@H+](Cc3ccc(C#N)cc3)CCO2)[nH]1 ZINC000173687830 378890109 /nfs/dbraw/zinc/89/01/09/378890109.db2.gz UKDZQBWYYWDMOH-CQSZACIVSA-N 1 2 297.362 1.812 10 30 CDEELO C=C[C@H](CO)[NH2+]Cc1noc(-c2cncc(C)c2)n1 ZINC000662168782 412917809 /nfs/dbraw/zinc/91/78/09/412917809.db2.gz URGROHFBVSKFBM-LLVKDONJSA-N 1 2 260.297 1.077 10 30 CDEELO Cc1cc(C#N)nc(NC[C@H](C)Cn2cc[nH+]c2)n1 ZINC000280976882 195055174 /nfs/dbraw/zinc/05/51/74/195055174.db2.gz MYCRUQHQDUSFRH-JTQLQIEISA-N 1 2 256.313 1.601 10 30 CDEELO Cc1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)s1 ZINC000574859092 335052761 /nfs/dbraw/zinc/05/27/61/335052761.db2.gz TVLVXTKZRALLTG-LBPRGKRZSA-N 1 2 266.370 1.334 10 30 CDEELO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000363779177 390489324 /nfs/dbraw/zinc/48/93/24/390489324.db2.gz MFZSNSJFFTYESH-CQSZACIVSA-N 1 2 266.385 1.522 10 30 CDEELO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000363779177 390489327 /nfs/dbraw/zinc/48/93/27/390489327.db2.gz MFZSNSJFFTYESH-CQSZACIVSA-N 1 2 266.385 1.522 10 30 CDEELO N#C[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCN1C1CC1 ZINC000370970904 390797768 /nfs/dbraw/zinc/79/77/68/390797768.db2.gz AHFZAVGYXHFRBJ-AWEZNQCLSA-N 1 2 295.346 1.147 10 30 CDEELO C=CCC[C@@H]([NH2+][C@@H]1CCC(=O)NC1(C)C)C(=O)OCC ZINC000449658753 390921645 /nfs/dbraw/zinc/92/16/45/390921645.db2.gz UHLNATVXNKRIDN-VXGBXAGGSA-N 1 2 282.384 1.531 10 30 CDEELO Cc1noc(C)c1C[NH+]1CCN(CCOCCC#N)CC1 ZINC000339030020 391244333 /nfs/dbraw/zinc/24/43/33/391244333.db2.gz SSZJTFSPJHWUPV-UHFFFAOYSA-N 1 2 292.383 1.339 10 30 CDEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000411188732 391405549 /nfs/dbraw/zinc/40/55/49/391405549.db2.gz DTHZSGSPQJQEAA-ZDUSSCGKSA-N 1 2 275.308 1.471 10 30 CDEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000411188732 391405554 /nfs/dbraw/zinc/40/55/54/391405554.db2.gz DTHZSGSPQJQEAA-ZDUSSCGKSA-N 1 2 275.308 1.471 10 30 CDEELO CC#CC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000339761256 391351214 /nfs/dbraw/zinc/35/12/14/391351214.db2.gz QQNYHYYZXYEJHM-LBPRGKRZSA-N 1 2 262.328 1.958 10 30 CDEELO CC#CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000339761256 391351216 /nfs/dbraw/zinc/35/12/16/391351216.db2.gz QQNYHYYZXYEJHM-LBPRGKRZSA-N 1 2 262.328 1.958 10 30 CDEELO CC#CC[NH+]1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000119203584 391468535 /nfs/dbraw/zinc/46/85/35/391468535.db2.gz IYNPNIZWHXTZCZ-UHFFFAOYSA-N 1 2 260.385 1.178 10 30 CDEELO N#C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000349448254 391555050 /nfs/dbraw/zinc/55/50/50/391555050.db2.gz POQWXMGVNDFPKQ-GFCCVEGCSA-N 1 2 254.293 1.295 10 30 CDEELO C=CCOC[C@H]([NH2+][C@@H]1CCCSC1)C(=O)OC ZINC000361110351 391682446 /nfs/dbraw/zinc/68/24/46/391682446.db2.gz PJPAWUGJFVYNBL-MNOVXSKESA-N 1 2 259.371 1.216 10 30 CDEELO CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C1=O ZINC000329921304 391799660 /nfs/dbraw/zinc/79/96/60/391799660.db2.gz SOQKUOQORZZQFI-KBPBESRZSA-N 1 2 287.363 1.448 10 30 CDEELO CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C1=O ZINC000329921304 391799663 /nfs/dbraw/zinc/79/96/63/391799663.db2.gz SOQKUOQORZZQFI-KBPBESRZSA-N 1 2 287.363 1.448 10 30 CDEELO C=CC[N@H+]1CCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001663497565 1172707188 /nfs/dbraw/zinc/70/71/88/1172707188.db2.gz FYXIVTYXNNTPPD-RKDXNWHRSA-N 1 2 268.254 1.653 10 30 CDEELO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001663497565 1172707200 /nfs/dbraw/zinc/70/72/00/1172707200.db2.gz FYXIVTYXNNTPPD-RKDXNWHRSA-N 1 2 268.254 1.653 10 30 CDEELO C=CCC[C@H](O)C[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000268428527 132008394 /nfs/dbraw/zinc/00/83/94/132008394.db2.gz COEPGIGGWNLTFP-MNOVXSKESA-N 1 2 269.345 1.536 10 30 CDEELO C=CCC[C@H](O)C[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000268428527 132008395 /nfs/dbraw/zinc/00/83/95/132008395.db2.gz COEPGIGGWNLTFP-MNOVXSKESA-N 1 2 269.345 1.536 10 30 CDEELO Cc1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)c(C#N)cn1 ZINC000425247852 393003814 /nfs/dbraw/zinc/00/38/14/393003814.db2.gz PLTSXWJFYAUARO-UHFFFAOYSA-N 1 2 294.362 1.687 10 30 CDEELO CN1CCN(c2cccnc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000377999677 393090340 /nfs/dbraw/zinc/09/03/40/393090340.db2.gz XSCQHUCWEQINPF-ZDUSSCGKSA-N 1 2 268.324 1.169 10 30 CDEELO N#Cc1csc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)n1 ZINC000356101003 157355494 /nfs/dbraw/zinc/35/54/94/157355494.db2.gz BODDMNHNAWMTKT-LLVKDONJSA-N 1 2 288.380 1.518 10 30 CDEELO N#Cc1csc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)n1 ZINC000356101003 157355498 /nfs/dbraw/zinc/35/54/98/157355498.db2.gz BODDMNHNAWMTKT-LLVKDONJSA-N 1 2 288.380 1.518 10 30 CDEELO COc1cc(CNC(=O)c2c[nH+]c(C)[nH]2)ccc1C#N ZINC000358960288 158082904 /nfs/dbraw/zinc/08/29/04/158082904.db2.gz FYGWLQZWQZGMKO-UHFFFAOYSA-N 1 2 270.292 1.528 10 30 CDEELO CON(C)C(=O)CC[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000367479189 159492249 /nfs/dbraw/zinc/49/22/49/159492249.db2.gz BIUVLINPTQWTGZ-UHFFFAOYSA-N 1 2 289.335 1.031 10 30 CDEELO C#CCC[NH+]1CC(NC(=O)[C@@H](CC)CC(F)F)C1 ZINC001665147776 1172952019 /nfs/dbraw/zinc/95/20/19/1172952019.db2.gz CFCLZMOXUIQWKM-JTQLQIEISA-N 1 2 258.312 1.492 10 30 CDEELO COC(=O)c1sc(/[NH+]=C/N(C)C)c(C(=O)OC)c1C ZINC000004949001 170044377 /nfs/dbraw/zinc/04/43/77/170044377.db2.gz SNHFSTMVTYAGPL-AWNIVKPZSA-N 1 2 284.337 1.851 10 30 CDEELO C=CCCC1(CNC(=O)CN2CC[NH2+]CC2=O)CCCC1 ZINC000659334659 413724062 /nfs/dbraw/zinc/72/40/62/413724062.db2.gz OLRVJAJFWRWIPT-UHFFFAOYSA-N 1 2 293.411 1.061 10 30 CDEELO C[N@H+](CC(N)=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N ZINC000037268456 173079794 /nfs/dbraw/zinc/07/97/94/173079794.db2.gz FLPVVMFMKOOAAM-IJLUTSLNSA-N 1 2 251.374 1.758 10 30 CDEELO C[N@@H+](CC(N)=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N ZINC000037268456 173079796 /nfs/dbraw/zinc/07/97/96/173079796.db2.gz FLPVVMFMKOOAAM-IJLUTSLNSA-N 1 2 251.374 1.758 10 30 CDEELO N#C[C@@]1(N2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000037357342 173147971 /nfs/dbraw/zinc/14/79/71/173147971.db2.gz YLCOCSQQBVOJKX-INIZCTEOSA-N 1 2 271.364 1.487 10 30 CDEELO N#C[C@@]1(N2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000037357342 173147973 /nfs/dbraw/zinc/14/79/73/173147973.db2.gz YLCOCSQQBVOJKX-INIZCTEOSA-N 1 2 271.364 1.487 10 30 CDEELO COCC[N@H+](CC(C)C)C[C@@](N)(C#N)c1ccccc1 ZINC000045182013 175325336 /nfs/dbraw/zinc/32/53/36/175325336.db2.gz BZJVRHVQFONYIL-INIZCTEOSA-N 1 2 275.396 1.969 10 30 CDEELO COCC[N@@H+](CC(C)C)C[C@@](N)(C#N)c1ccccc1 ZINC000045182013 175325337 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