smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1cc(C[N@@H+](C)C[C@H]2CCOC2)ccc1OC(C)C ZINC000820505658 1020193680 /nfs/dbraw/zinc/19/36/80/1020193680.db2.gz POVUBMZWFACRSA-QGZVFWFLSA-N 1 1 303.446 3.671 50 30 DHEAMO CC(C)(O)C#Cc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000826585003 1020714835 /nfs/dbraw/zinc/71/48/35/1020714835.db2.gz NFVSWUAZOBZEEY-HXUWFJFHSA-N 1 1 323.411 3.895 50 30 DHEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000826585003 1020714845 /nfs/dbraw/zinc/71/48/45/1020714845.db2.gz NFVSWUAZOBZEEY-HXUWFJFHSA-N 1 1 323.411 3.895 50 30 DHEAMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@](O)(c3ccccc3)CC2)c1 ZINC000225674982 186288183 /nfs/dbraw/zinc/28/81/83/186288183.db2.gz HPGZWSOHYIBOER-HXUWFJFHSA-N 1 1 324.399 3.571 50 30 DHEAMO CCc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000003431406 181018876 /nfs/dbraw/zinc/01/88/76/181018876.db2.gz RFNKZHOWCHBEKY-OAHLLOKOSA-N 1 1 321.424 3.580 50 30 DHEAMO Cc1ccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3)CC2)s1 ZINC000019791060 182149198 /nfs/dbraw/zinc/14/91/98/182149198.db2.gz DZKIWPFVEPUDEA-CPNJWEJPSA-N 1 1 313.470 3.517 50 30 DHEAMO N#Cc1c(Cl)nc(Cl)c2c1CC[N@@H+](C1CCCCC1)C2 ZINC000020792671 182247441 /nfs/dbraw/zinc/24/74/41/182247441.db2.gz FPJAUPDZZURTQL-UHFFFAOYSA-N 1 1 310.228 3.951 50 30 DHEAMO Cc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)c(C)c1 ZINC000024813181 182392223 /nfs/dbraw/zinc/39/22/23/182392223.db2.gz WWJOCNJABMORPP-UHFFFAOYSA-N 1 1 321.424 3.636 50 30 DHEAMO C=CCC[C@@H](O)C[N@H+](CCC(C)C)Cc1ccc(OC)cc1 ZINC000036095308 518712947 /nfs/dbraw/zinc/71/29/47/518712947.db2.gz XBLHOXPSVJANFB-GOSISDBHSA-N 1 1 305.462 3.870 50 30 DHEAMO C=CCc1cc(Cl)ccc1OCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020167777 519132207 /nfs/dbraw/zinc/13/22/07/519132207.db2.gz KWWLFRDAAIHMKQ-KBPBESRZSA-N 1 1 309.837 3.557 50 30 DHEAMO C=C(C)CN(CC)C(=O)Nc1ccc(Cn2cc[nH+]c2C)cc1 ZINC000071915057 563342697 /nfs/dbraw/zinc/34/26/97/563342697.db2.gz DAIXQQCIYFVZJT-UHFFFAOYSA-N 1 1 312.417 3.670 50 30 DHEAMO CC[NH+]1CCN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000008683622 563348676 /nfs/dbraw/zinc/34/86/76/563348676.db2.gz GNCXAVSTKVWZCH-UHFFFAOYSA-N 1 1 318.273 3.548 50 30 DHEAMO C=CCN(C)C(=O)Nc1cccc(C[N@@H+]2CCCC[C@H]2C)c1 ZINC000096152393 563822271 /nfs/dbraw/zinc/82/22/71/563822271.db2.gz VLYWTLVKFKOFKP-OAHLLOKOSA-N 1 1 301.434 3.711 50 30 DHEAMO CCCC[C@](C)(O)C#CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000245225951 563881360 /nfs/dbraw/zinc/88/13/60/563881360.db2.gz BCQGGNURBLYCHL-OALUTQOASA-N 1 1 300.446 3.553 50 30 DHEAMO CCCC[C@](C)(O)C#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000245225951 563881362 /nfs/dbraw/zinc/88/13/62/563881362.db2.gz BCQGGNURBLYCHL-OALUTQOASA-N 1 1 300.446 3.553 50 30 DHEAMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC000242302299 563920494 /nfs/dbraw/zinc/92/04/94/563920494.db2.gz YREPJBDPCOHFDG-XCLNPWKQSA-N 1 1 312.457 3.710 50 30 DHEAMO C[C@](O)(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)c1ccccc1 ZINC000055243840 563927953 /nfs/dbraw/zinc/92/79/53/563927953.db2.gz QEJMNZRTUNAIPH-RTWAWAEBSA-N 1 1 320.436 3.520 50 30 biogenic DHEAMO C[C@](O)(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)c1ccccc1 ZINC000055243840 563927954 /nfs/dbraw/zinc/92/79/54/563927954.db2.gz QEJMNZRTUNAIPH-RTWAWAEBSA-N 1 1 320.436 3.520 50 30 biogenic DHEAMO C=CC[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1ccc(OC)c(OC)c1OC ZINC000952961357 1032671623 /nfs/dbraw/zinc/67/16/23/1032671623.db2.gz IXAYYFYTAMIWPZ-GDBMZVCRSA-N 1 1 317.429 3.808 50 30 DHEAMO CSC(=N/N=C/c1c(Cl)cccc1Cl)/[NH+]=C/N(C)C ZINC000095747994 185383750 /nfs/dbraw/zinc/38/37/50/185383750.db2.gz XJRYTCAUNYCDKN-ZWKFWBBWSA-N 1 1 317.245 3.636 50 30 DHEAMO C[C@H]1CC[N@@H+](C)C[C@@H]1C#CC(O)(c1ccccc1)c1ccccc1 ZINC000004828480 181157974 /nfs/dbraw/zinc/15/79/74/181157974.db2.gz BFXRASMNEAQTBE-OALUTQOASA-N 1 1 319.448 3.514 50 30 DHEAMO C=CCCC[C@H](C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000095459860 335036570 /nfs/dbraw/zinc/03/65/70/335036570.db2.gz UJJUZCTXUSWPSP-SFHVURJKSA-N 1 1 311.473 3.811 50 30 DHEAMO CC[NH+]1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 ZINC000059897746 184142403 /nfs/dbraw/zinc/14/24/03/184142403.db2.gz OCCRRKDKGQRRNF-UHFFFAOYSA-N 1 1 318.273 3.548 50 30 DHEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccco1)Cc1cccc(OC)c1 ZINC000036098233 518725933 /nfs/dbraw/zinc/72/59/33/518725933.db2.gz GNHRSKVKHBMVOX-KRWDZBQOSA-N 1 1 315.413 3.618 50 30 DHEAMO C=CC[N@@H+](Cc1ccc(NC(C)=O)cc1)Cc1cccc(OC)c1 ZINC000055371219 518782306 /nfs/dbraw/zinc/78/23/06/518782306.db2.gz NYECQNZQPNBOIE-UHFFFAOYSA-N 1 1 324.424 3.842 50 30 DHEAMO C=CCc1cc(OC)ccc1OCC[N@@H+](C)Cc1ccccc1 ZINC000004915498 519132672 /nfs/dbraw/zinc/13/26/72/519132672.db2.gz QYAFVXAGTSETMW-UHFFFAOYSA-N 1 1 311.425 3.935 50 30 DHEAMO C[C@@H](CC#N)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000053610322 563864036 /nfs/dbraw/zinc/86/40/36/563864036.db2.gz ZDQKCXMTPSCTEC-NSHDSACASA-N 1 1 303.793 3.963 50 30 DHEAMO ClC(Cl)=C[NH+]=C(c1ccc(Cl)cc1)N1CCOCC1 ZINC000252600898 563876774 /nfs/dbraw/zinc/87/67/74/563876774.db2.gz DVIXPMGVMJLSHE-UHFFFAOYSA-N 1 1 319.619 3.695 50 30 DHEAMO N#Cc1c(Cl)cccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000057347383 563941310 /nfs/dbraw/zinc/94/13/10/563941310.db2.gz ZHURRBDGPYVQHK-UHFFFAOYSA-N 1 1 317.845 3.595 50 30 DHEAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2C#N)c(OC)c1 ZINC000016382611 182042777 /nfs/dbraw/zinc/04/27/77/182042777.db2.gz XXGKXTSECDJDRB-LJQANCHMSA-N 1 1 322.408 3.913 50 30 DHEAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2C#N)c(OC)c1 ZINC000016382611 182042778 /nfs/dbraw/zinc/04/27/78/182042778.db2.gz XXGKXTSECDJDRB-LJQANCHMSA-N 1 1 322.408 3.913 50 30 DHEAMO N#Cc1ccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c(F)c1 ZINC000040023603 183027983 /nfs/dbraw/zinc/02/79/83/183027983.db2.gz FYPASGHJLOSBQK-UHFFFAOYSA-N 1 1 308.356 3.692 50 30 DHEAMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c(F)c1 ZINC000040023603 183027984 /nfs/dbraw/zinc/02/79/84/183027984.db2.gz FYPASGHJLOSBQK-UHFFFAOYSA-N 1 1 308.356 3.692 50 30 DHEAMO C=CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000058013839 184067402 /nfs/dbraw/zinc/06/74/02/184067402.db2.gz WYFOOQMOZOEUHF-SFHVURJKSA-N 1 1 315.438 3.899 50 30 DHEAMO C=CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000058013839 184067403 /nfs/dbraw/zinc/06/74/03/184067403.db2.gz WYFOOQMOZOEUHF-SFHVURJKSA-N 1 1 315.438 3.899 50 30 DHEAMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(Br)c1 ZINC000028920333 257269563 /nfs/dbraw/zinc/26/95/63/257269563.db2.gz QNWSSJAILWFXQY-RYUDHWBXSA-N 1 1 306.207 3.543 50 30 DHEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccco1)Cc1cccc(F)c1 ZINC000036104266 518725523 /nfs/dbraw/zinc/72/55/23/518725523.db2.gz KHDBPAFIVKHNKQ-KRWDZBQOSA-N 1 1 303.377 3.748 50 30 DHEAMO Cc1ccccc1C(=[NH2+])NOC(=O)c1ccc(C(C)(C)C)s1 ZINC000004365170 525036766 /nfs/dbraw/zinc/03/67/66/525036766.db2.gz VCAXTBYOGVOFHQ-UHFFFAOYSA-N 1 1 316.426 3.831 50 30 DHEAMO COC[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCCC#N ZINC000071910713 563333308 /nfs/dbraw/zinc/33/33/08/563333308.db2.gz GEVMQCWCUKQTNC-CQSZACIVSA-N 1 1 300.324 3.628 50 30 DHEAMO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000075604992 563459388 /nfs/dbraw/zinc/45/93/88/563459388.db2.gz HLFJLMOPONVHRB-HNNXBMFYSA-N 1 1 314.820 3.591 50 30 DHEAMO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000075604992 563459391 /nfs/dbraw/zinc/45/93/91/563459391.db2.gz HLFJLMOPONVHRB-HNNXBMFYSA-N 1 1 314.820 3.591 50 30 DHEAMO CC(C)[NH+]1CCC(N(C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000096480653 563484811 /nfs/dbraw/zinc/48/48/11/563484811.db2.gz RGLYPTKNUDBRRC-UHFFFAOYSA-N 1 1 313.489 3.792 50 30 DHEAMO CC(C)N1CCC([N@H+](C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000096480653 563484815 /nfs/dbraw/zinc/48/48/15/563484815.db2.gz RGLYPTKNUDBRRC-UHFFFAOYSA-N 1 1 313.489 3.792 50 30 DHEAMO CC(C)N1CCC([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000096480653 563484819 /nfs/dbraw/zinc/48/48/19/563484819.db2.gz RGLYPTKNUDBRRC-UHFFFAOYSA-N 1 1 313.489 3.792 50 30 DHEAMO Cc1cnc([C@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC000329315969 563606301 /nfs/dbraw/zinc/60/63/01/563606301.db2.gz BDQWREMSVFGNSH-KBPBESRZSA-N 1 1 305.422 3.655 50 30 DHEAMO C[N@@H+]1CCc2c(C#N)c(/N=C/c3c[nH]c4ccccc34)sc2C1 ZINC000000503916 563654521 /nfs/dbraw/zinc/65/45/21/563654521.db2.gz ZZRNSKNKGXSBFS-UFFVCSGVSA-N 1 1 320.421 3.840 50 30 DHEAMO C[N@H+]1CCc2c(C#N)c(/N=C/c3c[nH]c4ccccc34)sc2C1 ZINC000000503916 563654524 /nfs/dbraw/zinc/65/45/24/563654524.db2.gz ZZRNSKNKGXSBFS-UFFVCSGVSA-N 1 1 320.421 3.840 50 30 DHEAMO N#Cc1cccc(NC(=O)C[N@H+](Cc2ccco2)C2CCCC2)c1 ZINC000048367988 563698357 /nfs/dbraw/zinc/69/83/57/563698357.db2.gz FCMLNMMVFGNXPS-UHFFFAOYSA-N 1 1 323.396 3.535 50 30 DHEAMO N#Cc1cccc(NC(=O)C[N@@H+](Cc2ccco2)C2CCCC2)c1 ZINC000048367988 563698360 /nfs/dbraw/zinc/69/83/60/563698360.db2.gz FCMLNMMVFGNXPS-UHFFFAOYSA-N 1 1 323.396 3.535 50 30 DHEAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC000012987156 563929177 /nfs/dbraw/zinc/92/91/77/563929177.db2.gz SLKOWEBZLCCQTD-IBGZPJMESA-N 1 1 322.408 3.913 50 30 DHEAMO N#Cc1cccc(C[NH2+]Cc2cccnc2OC2CCCC2)c1 ZINC000030914829 563943975 /nfs/dbraw/zinc/94/39/75/563943975.db2.gz DNGWSXSLAJYNDO-UHFFFAOYSA-N 1 1 307.397 3.564 50 30 DHEAMO Cc1c(C[N@H+]2CCC[C@H](c3ccccc3C)C2)cc(C#N)n1C ZINC000072425467 191159396 /nfs/dbraw/zinc/15/93/96/191159396.db2.gz CAKQKVVJTZPUDO-KRWDZBQOSA-N 1 1 307.441 3.893 50 30 DHEAMO CCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000003431402 181018999 /nfs/dbraw/zinc/01/89/99/181018999.db2.gz RFNKZHOWCHBEKY-HNNXBMFYSA-N 1 1 321.424 3.580 50 30 DHEAMO COc1cc2c(cc1OC)[C@H](C)[N@H+](Cc1cccc(C#N)c1)CC2 ZINC000005450935 181244499 /nfs/dbraw/zinc/24/44/99/181244499.db2.gz LGMQSQJSJKPBEY-AWEZNQCLSA-N 1 1 322.408 3.695 50 30 DHEAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC000005450935 181244501 /nfs/dbraw/zinc/24/45/01/181244501.db2.gz LGMQSQJSJKPBEY-AWEZNQCLSA-N 1 1 322.408 3.695 50 30 DHEAMO C=CC[N@H+](C)Cc1ccc(C(=O)Nc2c(C)cc(C)nc2C)cc1 ZINC000065469994 184350865 /nfs/dbraw/zinc/35/08/65/184350865.db2.gz KAXQLUXWKGYJSO-UHFFFAOYSA-N 1 1 323.440 3.877 50 30 DHEAMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(Br)c1 ZINC000028920332 257269460 /nfs/dbraw/zinc/26/94/60/257269460.db2.gz QNWSSJAILWFXQY-NEPJUHHUSA-N 1 1 306.207 3.543 50 30 DHEAMO C=CCC[C@H](O)C[N@H+](CCC(C)C)Cc1ccc(OC)cc1 ZINC000036095309 518724014 /nfs/dbraw/zinc/72/40/14/518724014.db2.gz XBLHOXPSVJANFB-SFHVURJKSA-N 1 1 305.462 3.870 50 30 DHEAMO CC[C@H](C(=O)ONC(=[NH2+])c1ccc(Cl)cc1)c1ccccc1 ZINC000004845224 523811165 /nfs/dbraw/zinc/81/11/65/523811165.db2.gz ZCPUDMKRQIIYCK-HNNXBMFYSA-N 1 1 316.788 3.697 50 30 DHEAMO CCCC[N@@H+](CC)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000071927977 563411417 /nfs/dbraw/zinc/41/14/17/563411417.db2.gz TXMNFJVQXRHGQL-UHFFFAOYSA-N 1 1 315.461 3.672 50 30 DHEAMO C[N@H+]1CCC[C@H](CNc2ncccc2C#N)[C@H]1c1cccs1 ZINC000107060431 563682672 /nfs/dbraw/zinc/68/26/72/563682672.db2.gz PBLRWPIQTWVLMK-ZBFHGGJFSA-N 1 1 312.442 3.510 50 30 DHEAMO CC[C@H](C)[N@H+](Cc1ccsc1)Cc1cc(C#CCO)cs1 ZINC000055099796 563816930 /nfs/dbraw/zinc/81/69/30/563816930.db2.gz SHRMJAICUSDHDN-AWEZNQCLSA-N 1 1 319.495 3.954 50 30 DHEAMO N#Cc1ccc(F)c(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000026120196 563851108 /nfs/dbraw/zinc/85/11/08/563851108.db2.gz DQPWTVVUNSQKHJ-HXUWFJFHSA-N 1 1 324.399 3.643 50 30 DHEAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000008203436 563947130 /nfs/dbraw/zinc/94/71/30/563947130.db2.gz RUZQEPXJOAMROG-UHFFFAOYSA-N 1 1 321.424 3.554 50 30 DHEAMO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000008203436 563947132 /nfs/dbraw/zinc/94/71/32/563947132.db2.gz RUZQEPXJOAMROG-UHFFFAOYSA-N 1 1 321.424 3.554 50 30 DHEAMO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCc2ccccc21 ZINC000070040545 563955761 /nfs/dbraw/zinc/95/57/61/563955761.db2.gz VTVIEPYBSJAOKI-LJQANCHMSA-N 1 1 301.393 3.930 50 30 DHEAMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000102186137 1031671256 /nfs/dbraw/zinc/67/12/56/1031671256.db2.gz VMNFCVJHLLXZCG-YQNUULROSA-N 1 1 312.457 3.597 50 30 DHEAMO Cc1[nH+]ccn1Cc1ccc(NCc2cc(C#N)cs2)cc1 ZINC000095429031 185362504 /nfs/dbraw/zinc/36/25/04/185362504.db2.gz LGQCSCBMQXOMNY-UHFFFAOYSA-N 1 1 308.410 3.785 50 30 DHEAMO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1ccccc1C#N ZINC000042977604 183325312 /nfs/dbraw/zinc/32/53/12/183325312.db2.gz BQGAQPXCZKCVHR-UHFFFAOYSA-N 1 1 302.324 3.792 50 30 DHEAMO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1ccccc1C#N ZINC000042977604 183325314 /nfs/dbraw/zinc/32/53/14/183325314.db2.gz BQGAQPXCZKCVHR-UHFFFAOYSA-N 1 1 302.324 3.792 50 30 DHEAMO Cc1ccccc1C[C@@H](C)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000252479677 257274738 /nfs/dbraw/zinc/27/47/38/257274738.db2.gz BJSVYYUDLZAUOQ-GOSISDBHSA-N 1 1 314.473 3.958 50 30 DHEAMO C=CC[N@@H+](Cc1cccc(OC)c1)Cc1cnc2ccccc2n1 ZINC000055369406 518784542 /nfs/dbraw/zinc/78/45/42/518784542.db2.gz LVHKQXGHRAERLZ-UHFFFAOYSA-N 1 1 319.408 3.827 50 30 DHEAMO C=CC[N@H+](Cc1cccc(OC)c1)Cc1cnc2ccccc2n1 ZINC000055369406 518784548 /nfs/dbraw/zinc/78/45/48/518784548.db2.gz LVHKQXGHRAERLZ-UHFFFAOYSA-N 1 1 319.408 3.827 50 30 DHEAMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)CO1 ZINC000032804207 563395373 /nfs/dbraw/zinc/39/53/73/563395373.db2.gz LSLJPLIQOKNCNR-HOTGVXAUSA-N 1 1 306.409 3.834 50 30 DHEAMO CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)c(OC)c1 ZINC000025357599 563787348 /nfs/dbraw/zinc/78/73/48/563787348.db2.gz SQBMSAAHRRLUER-UHFFFAOYSA-N 1 1 310.397 3.598 50 30 DHEAMO C=CCN(Cc1ccccc1C)C(=O)CC[C@H]1CCC[N@H+](C)C1 ZINC000055196563 563816877 /nfs/dbraw/zinc/81/68/77/563816877.db2.gz BYYGONRLGBJDND-GOSISDBHSA-N 1 1 314.473 3.632 50 30 DHEAMO C[N@H+]1CCCC[C@@]1(C)C#CC(O)(c1ccccc1)c1ccccc1 ZINC000001217260 563841121 /nfs/dbraw/zinc/84/11/21/563841121.db2.gz RAKUXMKMNIXLSC-NRFANRHFSA-N 1 1 319.448 3.800 50 30 DHEAMO CCCC[C@](C)(O)C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055231612 563927957 /nfs/dbraw/zinc/92/79/57/563927957.db2.gz BCQGGNURBLYCHL-MOPGFXCFSA-N 1 1 300.446 3.553 50 30 biogenic DHEAMO CCCC[C@](C)(O)C#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055231612 563927958 /nfs/dbraw/zinc/92/79/58/563927958.db2.gz BCQGGNURBLYCHL-MOPGFXCFSA-N 1 1 300.446 3.553 50 30 biogenic DHEAMO Cc1ccsc1C=CC(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000004323998 181098156 /nfs/dbraw/zinc/09/81/56/181098156.db2.gz KYQYUPGPQHTWSS-VOTSOKGWSA-N 1 1 320.801 3.587 50 30 DHEAMO Cc1cccc(CSc2nc3c(cc2C#N)C[N@@H+](C)CC3)c1 ZINC000019816228 182153515 /nfs/dbraw/zinc/15/35/15/182153515.db2.gz UYUXSYPCRYPMPS-UHFFFAOYSA-N 1 1 309.438 3.542 50 30 DHEAMO N#Cc1ccc(-c2n[nH]c3c2C[N@H+](Cc2ccsc2)CC3)cc1 ZINC000019939434 182167985 /nfs/dbraw/zinc/16/79/85/182167985.db2.gz VLQANCZKKMQVNG-UHFFFAOYSA-N 1 1 320.421 3.568 50 30 DHEAMO N#Cc1ccc(-c2n[nH]c3c2C[N@@H+](Cc2ccsc2)CC3)cc1 ZINC000019939434 182167986 /nfs/dbraw/zinc/16/79/86/182167986.db2.gz VLQANCZKKMQVNG-UHFFFAOYSA-N 1 1 320.421 3.568 50 30 DHEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000036101094 518718598 /nfs/dbraw/zinc/71/85/98/518718598.db2.gz SCUMHKMBPSDBNL-OAHLLOKOSA-N 1 1 305.443 3.979 50 30 DHEAMO Cc1cccc(C(=[NH2+])NOC(=O)C=Cc2ccccc2Cl)c1 ZINC000006867054 524148943 /nfs/dbraw/zinc/14/89/43/524148943.db2.gz CAOZMCMCSBMRGM-MDZDMXLPSA-N 1 1 314.772 3.525 50 30 DHEAMO Cc1cccc(C(=[NH2+])NOC(=O)c2cccc3ccccc32)c1 ZINC000004978294 524150566 /nfs/dbraw/zinc/15/05/66/524150566.db2.gz SLAZJGZRDWUMRR-UHFFFAOYSA-N 1 1 304.349 3.626 50 30 DHEAMO C[N@@H+](Cc1ccccc1N1CCCC1)Cc1cc(C#N)ccc1F ZINC000011193136 563479711 /nfs/dbraw/zinc/47/97/11/563479711.db2.gz KBPWHFLKQWBDOZ-UHFFFAOYSA-N 1 1 323.415 3.930 50 30 DHEAMO C[N@H+](Cc1ccccc1N1CCCC1)Cc1cc(C#N)ccc1F ZINC000011193136 563479712 /nfs/dbraw/zinc/47/97/12/563479712.db2.gz KBPWHFLKQWBDOZ-UHFFFAOYSA-N 1 1 323.415 3.930 50 30 DHEAMO Cc1cccc2sc(NC(=O)C[NH+]3CCC(C)CC3)nc21 ZINC000051448935 563613694 /nfs/dbraw/zinc/61/36/94/563613694.db2.gz MZACTJLVYQISGA-UHFFFAOYSA-N 1 1 303.431 3.925 50 30 DHEAMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000181583762 563674612 /nfs/dbraw/zinc/67/46/12/563674612.db2.gz SGLQPGXFUZELKP-LLVKDONJSA-N 1 1 302.324 3.696 50 30 DHEAMO COc1ccc([C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)cc1 ZINC000015300609 563803652 /nfs/dbraw/zinc/80/36/52/563803652.db2.gz IDVYNAAFBZXWLH-FQEVSTJZSA-N 1 1 322.408 3.783 50 30 DHEAMO C=CC[C@@H]1[N@H+](Cc2nnc3n2CCCCC3)CCCC1(C)C ZINC000252485763 563915936 /nfs/dbraw/zinc/91/59/36/563915936.db2.gz HDGWWWZICUVYSO-HNNXBMFYSA-N 1 1 302.466 3.571 50 30 DHEAMO N#CCC[C@H](C#N)C[NH+]1CCC(Nc2ccccc2Cl)CC1 ZINC000195544402 563919677 /nfs/dbraw/zinc/91/96/77/563919677.db2.gz HKEVNEZASIKAJJ-CQSZACIVSA-N 1 1 316.836 3.660 50 30 DHEAMO Cc1ccc(C=NN2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1 ZINC000253483611 563926475 /nfs/dbraw/zinc/92/64/75/563926475.db2.gz ZYQDBNZHUSNOKF-UHFFFAOYSA-N 1 1 321.468 3.764 50 30 DHEAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)c1 ZINC000012995039 563929173 /nfs/dbraw/zinc/92/91/73/563929173.db2.gz HJZZPNUSLNVIDD-IBGZPJMESA-N 1 1 322.408 3.913 50 30 DHEAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccccc2C#N)c1 ZINC000012995039 563929174 /nfs/dbraw/zinc/92/91/74/563929174.db2.gz HJZZPNUSLNVIDD-IBGZPJMESA-N 1 1 322.408 3.913 50 30 DHEAMO C=C(C)C[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000069743687 563954519 /nfs/dbraw/zinc/95/45/19/563954519.db2.gz WDHJLARMAOMBMI-HNNXBMFYSA-N 1 1 301.365 3.513 50 30 DHEAMO C=C(C)C[N@H+]1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000069743687 563954520 /nfs/dbraw/zinc/95/45/20/563954520.db2.gz WDHJLARMAOMBMI-HNNXBMFYSA-N 1 1 301.365 3.513 50 30 DHEAMO C[N@@H+](CCOc1ccc(C#N)cc1)[C@H]1CCCc2ccccc21 ZINC000015291615 181994533 /nfs/dbraw/zinc/99/45/33/181994533.db2.gz RQZKCZPPPBICKU-FQEVSTJZSA-N 1 1 306.409 3.946 50 30 DHEAMO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022778815 182334223 /nfs/dbraw/zinc/33/42/23/182334223.db2.gz MXZAUILHWCDIPW-INIZCTEOSA-N 1 1 323.415 3.576 50 30 DHEAMO C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022778815 182334225 /nfs/dbraw/zinc/33/42/25/182334225.db2.gz MXZAUILHWCDIPW-INIZCTEOSA-N 1 1 323.415 3.576 50 30 DHEAMO C=CCOc1ccc(C[N@H+](C)Cc2cn3c(cccc3C)n2)cc1 ZINC000040118753 519032382 /nfs/dbraw/zinc/03/23/82/519032382.db2.gz VVFOXIKOWGGKGU-UHFFFAOYSA-N 1 1 321.424 3.840 50 30 DHEAMO C=CCOc1ccc(C[N@@H+](C)Cc2cn3c(cccc3C)n2)cc1 ZINC000040118753 519032392 /nfs/dbraw/zinc/03/23/92/519032392.db2.gz VVFOXIKOWGGKGU-UHFFFAOYSA-N 1 1 321.424 3.840 50 30 DHEAMO [NH2+]=C(Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000006321680 563332731 /nfs/dbraw/zinc/33/27/31/563332731.db2.gz ATTSQSGOYJWVGY-UHFFFAOYSA-N 1 1 309.247 3.651 50 30 DHEAMO C=C(C)COc1ccccc1C[N@@H+](Cc1cnn(C)c1)C1CC1 ZINC000055119889 563815865 /nfs/dbraw/zinc/81/58/65/563815865.db2.gz JPUNWATXCPZHIR-UHFFFAOYSA-N 1 1 311.429 3.540 50 30 DHEAMO C=C(C)COc1ccccc1C[N@H+](Cc1cnn(C)c1)C1CC1 ZINC000055119889 563815866 /nfs/dbraw/zinc/81/58/66/563815866.db2.gz JPUNWATXCPZHIR-UHFFFAOYSA-N 1 1 311.429 3.540 50 30 DHEAMO CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1cc(C#CCO)cs1 ZINC000055099794 563816744 /nfs/dbraw/zinc/81/67/44/563816744.db2.gz SHRMJAICUSDHDN-CQSZACIVSA-N 1 1 319.495 3.954 50 30 DHEAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)cc1OC ZINC000036395422 563898304 /nfs/dbraw/zinc/89/83/04/563898304.db2.gz DZYWWEVTIBKEJE-GOSISDBHSA-N 1 1 322.408 3.913 50 30 DHEAMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCc2ccccc21 ZINC000008126496 563946842 /nfs/dbraw/zinc/94/68/42/563946842.db2.gz OMXFSPWBSYPULF-LJQANCHMSA-N 1 1 319.408 3.506 50 30 DHEAMO Cc1cccc(C=NN2CC[NH+](Cc3ccc(C)cc3C)CC2)c1 ZINC000245253815 563952392 /nfs/dbraw/zinc/95/23/92/563952392.db2.gz GMNGPZOFHMDVDL-UHFFFAOYSA-N 1 1 321.468 3.764 50 30 DHEAMO C=C(C)C[N@@H+]1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000069743685 563954624 /nfs/dbraw/zinc/95/46/24/563954624.db2.gz WDHJLARMAOMBMI-OAHLLOKOSA-N 1 1 301.365 3.513 50 30 DHEAMO C=C(C)C[N@H+]1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000069743685 563954625 /nfs/dbraw/zinc/95/46/25/563954625.db2.gz WDHJLARMAOMBMI-OAHLLOKOSA-N 1 1 301.365 3.513 50 30 DHEAMO COCc1ccc(CNC(=[NH+]C(C)C)c2cccs2)cc1 ZINC000071843645 563959332 /nfs/dbraw/zinc/95/93/32/563959332.db2.gz TZNCWPPJILDEOP-UHFFFAOYSA-N 1 1 302.443 3.839 50 30 DHEAMO CC(C)[C@@H](C)[N@@H+](Cc1cc([N+](=O)[O-])c(C#N)cc1F)C1CC1 ZINC000225637523 186285463 /nfs/dbraw/zinc/28/54/63/186285463.db2.gz BXEGPZOOAZYOME-LLVKDONJSA-N 1 1 305.353 3.614 50 30 DHEAMO C[N@@H+](CC#CC(O)(c1ccccc1)c1ccccc1)C(C)(C)C ZINC000005033262 181193755 /nfs/dbraw/zinc/19/37/55/181193755.db2.gz IMNULWKUPKJKSU-UHFFFAOYSA-N 1 1 307.437 3.656 50 30 DHEAMO C/C(=N\N1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC000005682788 181271744 /nfs/dbraw/zinc/27/17/44/181271744.db2.gz FTTLXAVQXDBROA-DYTRJAOYSA-N 1 1 307.441 3.537 50 30 DHEAMO C=CCn1c(C)nn(C[NH2+]C2(c3ccccc3)CCC2)c1=S ZINC000058161935 184082916 /nfs/dbraw/zinc/08/29/16/184082916.db2.gz UEHIYMPICZXLEJ-UHFFFAOYSA-N 1 1 314.458 3.535 50 30 DHEAMO Cc1ccc(C[NH+]2CCN(N=Cc3cccs3)CC2)c(C)c1 ZINC000238901759 257260151 /nfs/dbraw/zinc/26/01/51/257260151.db2.gz MLYWIJXPASTKBO-UHFFFAOYSA-N 1 1 313.470 3.517 50 30 DHEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1cccc(OC)c1 ZINC000036098231 518718575 /nfs/dbraw/zinc/71/85/75/518718575.db2.gz GNHRSKVKHBMVOX-QGZVFWFLSA-N 1 1 315.413 3.618 50 30 DHEAMO C=CCn1ncc(C[N@@H+](CC#Cc2ccccc2)CCC)c1C ZINC000055404122 519290571 /nfs/dbraw/zinc/29/05/71/519290571.db2.gz VMSCHAYTZOZNNY-UHFFFAOYSA-N 1 1 307.441 3.641 50 30 DHEAMO C=CCn1ncc(C[N@H+](CC#Cc2ccccc2)CCC)c1C ZINC000055404122 519290577 /nfs/dbraw/zinc/29/05/77/519290577.db2.gz VMSCHAYTZOZNNY-UHFFFAOYSA-N 1 1 307.441 3.641 50 30 DHEAMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000181583748 563674462 /nfs/dbraw/zinc/67/44/62/563674462.db2.gz SGLQPGXFUZELKP-NSHDSACASA-N 1 1 302.324 3.696 50 30 DHEAMO C[N@H+]1CCC[C@@H](CNc2ncccc2C#N)[C@H]1c1cccs1 ZINC000107060428 563682694 /nfs/dbraw/zinc/68/26/94/563682694.db2.gz PBLRWPIQTWVLMK-HOCLYGCPSA-N 1 1 312.442 3.510 50 30 DHEAMO C=CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(O)c1 ZINC000055107704 563816910 /nfs/dbraw/zinc/81/69/10/563816910.db2.gz YXSNPSANZQSURU-UHFFFAOYSA-N 1 1 301.361 3.728 50 30 DHEAMO C=CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(O)c1 ZINC000055107704 563816912 /nfs/dbraw/zinc/81/69/12/563816912.db2.gz YXSNPSANZQSURU-UHFFFAOYSA-N 1 1 301.361 3.728 50 30 DHEAMO N#Cc1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c(F)c1 ZINC000026120175 563851143 /nfs/dbraw/zinc/85/11/43/563851143.db2.gz MPJWLWQSIPAVOY-FQEVSTJZSA-N 1 1 324.399 3.643 50 30 DHEAMO N#Cc1ccc(Oc2cc(F)c(C[NH+]3CCCC3)c(F)c2)nc1 ZINC000067847613 563928232 /nfs/dbraw/zinc/92/82/32/563928232.db2.gz KASZKSVXEJWLKZ-UHFFFAOYSA-N 1 1 315.323 3.620 50 30 DHEAMO Cc1cc(C)c(C#N)c(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000067909746 563928442 /nfs/dbraw/zinc/92/84/42/563928442.db2.gz FPGFLYJWWHBLQM-MRXNPFEDSA-N 1 1 321.424 3.630 50 30 DHEAMO C=CC[N@H+]1C[C@H](C(=O)NCc2ccco2)CC[C@H]1c1ccccc1 ZINC000245339402 563952660 /nfs/dbraw/zinc/95/26/60/563952660.db2.gz SLGBYDNJWAHMBK-MJGOQNOKSA-N 1 1 324.424 3.535 50 30 DHEAMO NC(=[NH+]OCc1c(Cl)ccc2cccnc21)C1CCCC1 ZINC000095360934 1032130856 /nfs/dbraw/zinc/13/08/56/1032130856.db2.gz GLTZWAPOQMTDQM-UHFFFAOYSA-N 1 1 303.793 3.867 50 30 DHEAMO CC(C)(O)C#Cc1ccc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000826585001 1020716018 /nfs/dbraw/zinc/71/60/18/1020716018.db2.gz NFVSWUAZOBZEEY-FQEVSTJZSA-N 1 1 323.411 3.895 50 30 DHEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000826585001 1020716024 /nfs/dbraw/zinc/71/60/24/1020716024.db2.gz NFVSWUAZOBZEEY-FQEVSTJZSA-N 1 1 323.411 3.895 50 30 DHEAMO [NH2+]=C(NOC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000005640169 181267521 /nfs/dbraw/zinc/26/75/21/181267521.db2.gz XCRFWXQKBIHUAW-UHFFFAOYSA-N 1 1 324.167 3.862 50 30 DHEAMO C#CC[N@@H+](CC=C)Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000019742131 518257978 /nfs/dbraw/zinc/25/79/78/518257978.db2.gz ZYWJWFUXFLMRJT-UHFFFAOYSA-N 1 1 301.393 3.851 50 30 DHEAMO C#CC[N@H+](CC=C)Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000019742131 518257983 /nfs/dbraw/zinc/25/79/83/518257983.db2.gz ZYWJWFUXFLMRJT-UHFFFAOYSA-N 1 1 301.393 3.851 50 30 DHEAMO C=CCc1ccc(OCC[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000004906269 519137518 /nfs/dbraw/zinc/13/75/18/519137518.db2.gz BXJXEMVLLDOMRN-UHFFFAOYSA-N 1 1 311.425 3.935 50 30 DHEAMO Cc1cccc(C(=[NH2+])NOC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000004685153 524150581 /nfs/dbraw/zinc/15/05/81/524150581.db2.gz RVKSIFJUYFKRIU-UHFFFAOYSA-N 1 1 310.397 3.770 50 30 DHEAMO Cc1cccc(C(=[NH2+])NOC(=O)Cc2cccc3ccccc32)c1 ZINC000013497423 524150662 /nfs/dbraw/zinc/15/06/62/524150662.db2.gz WJOZEVPCONWXLB-UHFFFAOYSA-N 1 1 318.376 3.554 50 30 DHEAMO [NH2+]=C(NOC(=O)CCC1CCCCC1)c1ccc(Cl)cc1 ZINC000004845151 526807598 /nfs/dbraw/zinc/80/75/98/526807598.db2.gz GLHMNVTUAQSQOV-UHFFFAOYSA-N 1 1 308.809 3.864 50 30 DHEAMO COC[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCCC#N ZINC000071910712 563332956 /nfs/dbraw/zinc/33/29/56/563332956.db2.gz GEVMQCWCUKQTNC-AWEZNQCLSA-N 1 1 300.324 3.628 50 30 DHEAMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)CO1 ZINC000032804206 563395399 /nfs/dbraw/zinc/39/53/99/563395399.db2.gz LSLJPLIQOKNCNR-JKSUJKDBSA-N 1 1 306.409 3.834 50 30 DHEAMO C=CCn1cc(C[N@H+](C)Cc2[nH]c3ccccc3c2C)c(C)n1 ZINC000055168249 563815836 /nfs/dbraw/zinc/81/58/36/563815836.db2.gz BKCKYYQMWBUXER-UHFFFAOYSA-N 1 1 308.429 3.799 50 30 DHEAMO C=CCn1cc(C[N@@H+](C)Cc2[nH]c3ccccc3c2C)c(C)n1 ZINC000055168249 563815837 /nfs/dbraw/zinc/81/58/37/563815837.db2.gz BKCKYYQMWBUXER-UHFFFAOYSA-N 1 1 308.429 3.799 50 30 DHEAMO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000075605028 563885002 /nfs/dbraw/zinc/88/50/02/563885002.db2.gz LKKCEXUTLNIJOL-OAHLLOKOSA-N 1 1 314.820 3.591 50 30 DHEAMO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000075605028 563885003 /nfs/dbraw/zinc/88/50/03/563885003.db2.gz LKKCEXUTLNIJOL-OAHLLOKOSA-N 1 1 314.820 3.591 50 30 DHEAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)cc1OC ZINC000036395421 563898271 /nfs/dbraw/zinc/89/82/71/563898271.db2.gz DZYWWEVTIBKEJE-SFHVURJKSA-N 1 1 322.408 3.913 50 30 DHEAMO C=C(C)C[N@@H+](CC)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000006939081 563900189 /nfs/dbraw/zinc/90/01/89/563900189.db2.gz QBPPQPAPTNEVPV-YOEHRIQHSA-N 1 1 311.853 3.677 50 30 DHEAMO CCCC[C@@](C)(O)C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055231615 563927881 /nfs/dbraw/zinc/92/78/81/563927881.db2.gz BCQGGNURBLYCHL-RTBURBONSA-N 1 1 300.446 3.553 50 30 biogenic DHEAMO CCCC[C@@](C)(O)C#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055231615 563927882 /nfs/dbraw/zinc/92/78/82/563927882.db2.gz BCQGGNURBLYCHL-RTBURBONSA-N 1 1 300.446 3.553 50 30 biogenic DHEAMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nccn3CC3CC3)C2)cc1 ZINC000082107851 192356151 /nfs/dbraw/zinc/35/61/51/192356151.db2.gz PNOMBVQOOMRNDU-IBGZPJMESA-N 1 1 320.440 3.544 50 30 DHEAMO [NH2+]=C(NOC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000004725375 181142812 /nfs/dbraw/zinc/14/28/12/181142812.db2.gz LOTYWOCPKJMABS-UHFFFAOYSA-N 1 1 324.767 3.971 50 30 DHEAMO N#CCC[C@H](C#N)C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000096405771 193621713 /nfs/dbraw/zinc/62/17/13/193621713.db2.gz BMSCHZIANWWRIX-OAHLLOKOSA-N 1 1 306.413 3.791 50 30 DHEAMO C[NH+]=C(Nc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000020405187 182214743 /nfs/dbraw/zinc/21/47/43/182214743.db2.gz JPCVUIYBUDFPGD-UHFFFAOYSA-N 1 1 303.287 3.875 50 30 DHEAMO CC(C)c1ccc(C=NN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000238882265 257260275 /nfs/dbraw/zinc/26/02/75/257260275.db2.gz CZDOZBKVEURNLN-UHFFFAOYSA-N 1 1 321.468 3.962 50 30 DHEAMO Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)c3ccsc3)CC2)o1 ZINC000329137977 335944810 /nfs/dbraw/zinc/94/48/10/335944810.db2.gz HWJKWKMQPFUAMR-LBPRGKRZSA-N 1 1 319.430 3.575 50 30 DHEAMO C=CCC[C@H](C[N@H+](C)Cc1cccnc1)Oc1cc(C)ccn1 ZINC000067514745 518721593 /nfs/dbraw/zinc/72/15/93/518721593.db2.gz YXCIOAAKFVDFKL-GOSISDBHSA-N 1 1 311.429 3.631 50 30 DHEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000036101097 518725921 /nfs/dbraw/zinc/72/59/21/518725921.db2.gz SCUMHKMBPSDBNL-HNNXBMFYSA-N 1 1 305.443 3.979 50 30 DHEAMO C=CCc1cc(Cl)ccc1OCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247643 519133113 /nfs/dbraw/zinc/13/31/13/519133113.db2.gz UALLEIYZPNUKFS-GASCZTMLSA-N 1 1 323.864 3.947 50 30 DHEAMO [NH2+]=C(NOC(=O)c1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000004685156 526810173 /nfs/dbraw/zinc/81/01/73/526810173.db2.gz NYVOEEDOPKDORK-UHFFFAOYSA-N 1 1 324.767 3.971 50 30 DHEAMO CC(C)(C)c1ccc(C(=O)ONC(=[NH2+])Cc2cccs2)cc1 ZINC000004193280 563326688 /nfs/dbraw/zinc/32/66/88/563326688.db2.gz NGJYDTPFEJHJKP-UHFFFAOYSA-N 1 1 316.426 3.717 50 30 DHEAMO [NH2+]=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1ccccc1 ZINC000013523282 563382623 /nfs/dbraw/zinc/38/26/23/563382623.db2.gz LTXMDDCEQNYGJK-UHFFFAOYSA-N 1 1 323.179 3.665 50 30 DHEAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc(C#N)cn1 ZINC000052245115 563786734 /nfs/dbraw/zinc/78/67/34/563786734.db2.gz BFBUPDQXWVGTLI-INIZCTEOSA-N 1 1 320.440 3.940 50 30 DHEAMO N#Cc1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c(F)c1 ZINC000026120169 563850913 /nfs/dbraw/zinc/85/09/13/563850913.db2.gz MPJWLWQSIPAVOY-HXUWFJFHSA-N 1 1 324.399 3.643 50 30 DHEAMO C(#Cc1ccccc1)CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000063869697 563866772 /nfs/dbraw/zinc/86/67/72/563866772.db2.gz ZIJVFHDHQOFJFA-RBBKRZOGSA-N 1 1 322.496 3.767 50 30 DHEAMO CCS[C@@H]1CCCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000170625705 563908828 /nfs/dbraw/zinc/90/88/28/563908828.db2.gz RJIOZBMJKCZMKW-MRXNPFEDSA-N 1 1 313.470 3.919 50 30 DHEAMO CCCn1c(C)cnc1C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000575545615 1029843500 /nfs/dbraw/zinc/84/35/00/1029843500.db2.gz IPKJYPIRNUXHNH-LJQANCHMSA-N 1 1 322.456 3.538 50 30 DHEAMO C[C@H](C1CC1)[N@@H+](C)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000084636285 1035335634 /nfs/dbraw/zinc/33/56/34/1035335634.db2.gz VMNFCVJHLLXZCG-ONDHQXCVSA-N 1 1 312.457 3.597 50 30 DHEAMO C=C(Cl)C[N@H+](CCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000089955605 185271759 /nfs/dbraw/zinc/27/17/59/185271759.db2.gz JUPAFDOTSTUSKL-UHFFFAOYSA-N 1 1 320.864 3.756 50 30 DHEAMO N#CCC[C@H](C#N)C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000095395984 185352815 /nfs/dbraw/zinc/35/28/15/185352815.db2.gz VKXNZXLYVBFOAO-CYBMUJFWSA-N 1 1 303.356 3.588 50 30 DHEAMO C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000095409430 185356999 /nfs/dbraw/zinc/35/69/99/185356999.db2.gz BQKREZVRBOSODQ-UHFFFAOYSA-N 1 1 320.314 3.931 50 30 DHEAMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000095409430 185357000 /nfs/dbraw/zinc/35/70/00/185357000.db2.gz BQKREZVRBOSODQ-UHFFFAOYSA-N 1 1 320.314 3.931 50 30 DHEAMO CC(C)[C@H](C)[N@@H+](Cc1cc([N+](=O)[O-])c(C#N)cc1F)C1CC1 ZINC000225637553 186285367 /nfs/dbraw/zinc/28/53/67/186285367.db2.gz BXEGPZOOAZYOME-NSHDSACASA-N 1 1 305.353 3.614 50 30 DHEAMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@](O)(c3ccccc3)CC2)c1 ZINC000225674948 186288314 /nfs/dbraw/zinc/28/83/14/186288314.db2.gz HPGZWSOHYIBOER-FQEVSTJZSA-N 1 1 324.399 3.571 50 30 DHEAMO C=CC[C@@]1(CO)CCC[N@H+](CCOc2ccc(C)cc2Cl)C1 ZINC000091754963 193102405 /nfs/dbraw/zinc/10/24/05/193102405.db2.gz NZBZTTUGSDPSEX-GOSISDBHSA-N 1 1 323.864 3.678 50 30 DHEAMO CC12CN3CC(C)(C[NH+](C1)C3C1(CCC#N)CCCCC1)C2 ZINC000019332174 182115717 /nfs/dbraw/zinc/11/57/17/182115717.db2.gz VJOJUIMHPWKGEO-UHFFFAOYSA-N 1 1 301.478 3.614 50 30 DHEAMO C=CCN(C)C(=O)Nc1cccc(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000096152394 563822094 /nfs/dbraw/zinc/82/20/94/563822094.db2.gz VLYWTLVKFKOFKP-HNNXBMFYSA-N 1 1 301.434 3.711 50 30 DHEAMO CC[NH+](CC)c1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1 ZINC000000275252 563235179 /nfs/dbraw/zinc/23/51/79/563235179.db2.gz UTAAZNXMIWMVNE-UHFFFAOYSA-N 1 1 320.392 3.908 50 30 DHEAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)c(OC)c1 ZINC000015367025 563409702 /nfs/dbraw/zinc/40/97/02/563409702.db2.gz IGXJPVKCQLMKEJ-IBGZPJMESA-N 1 1 322.408 3.913 50 30 DHEAMO C=CCc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000002823359 563449009 /nfs/dbraw/zinc/44/90/09/563449009.db2.gz YIWVKPIIIXLBSB-MRXNPFEDSA-N 1 1 303.446 3.925 50 30 DHEAMO C(/C=C/c1ccccc1)=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000245391875 563843750 /nfs/dbraw/zinc/84/37/50/563843750.db2.gz IUYKBDHNKXPWCD-RKYOKCDMSA-N 1 1 305.425 3.503 50 30 DHEAMO OC1(C#CC[N@@H+]2CCCC[C@@H]2c2cccnc2)CCCCCC1 ZINC000055142307 563927566 /nfs/dbraw/zinc/92/75/66/563927566.db2.gz QIUQYYZJIZDBNU-LJQANCHMSA-N 1 1 312.457 3.697 50 30 biogenic,in-vitro DHEAMO OC1(C#CC[N@H+]2CCCC[C@@H]2c2cccnc2)CCCCCC1 ZINC000055142307 563927567 /nfs/dbraw/zinc/92/75/67/563927567.db2.gz QIUQYYZJIZDBNU-LJQANCHMSA-N 1 1 312.457 3.697 50 30 biogenic,in-vitro DHEAMO N#Cc1cccnc1Oc1cc(F)c(C[NH+]2CCCC2)c(F)c1 ZINC000067654520 563928262 /nfs/dbraw/zinc/92/82/62/563928262.db2.gz WFEAAEFEUVCUHX-UHFFFAOYSA-N 1 1 315.323 3.620 50 30 DHEAMO C[N@@H+](CCCSCC#N)Cc1cc(Br)cs1 ZINC000074981697 1017839872 /nfs/dbraw/zinc/83/98/72/1017839872.db2.gz RRQDAACTVYUSIZ-UHFFFAOYSA-N 1 1 319.293 3.589 50 30 DHEAMO CCn1cc(C[N@@H+](C)Cc2cccc3cnccc32)cc1C#N ZINC000072433541 191164163 /nfs/dbraw/zinc/16/41/63/191164163.db2.gz MIASYLBAFYOEJI-UHFFFAOYSA-N 1 1 304.397 3.560 50 30 DHEAMO C[C@H]([NH2+]CC(=O)Nc1ccccc1C#N)c1ccccc1Cl ZINC000057326771 184033575 /nfs/dbraw/zinc/03/35/75/184033575.db2.gz VBKTYCWQOKNSJN-LBPRGKRZSA-N 1 1 313.788 3.501 50 30 DHEAMO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccccn2)cc1OC ZINC000006710183 519004288 /nfs/dbraw/zinc/00/42/88/519004288.db2.gz QRAOGTVZSRWSLB-UHFFFAOYSA-N 1 1 318.804 3.598 50 30 DHEAMO N/C(=[NH+]\O)N(Cc1ccccc1Cl)Cc1ccccc1Cl ZINC000005278007 563619385 /nfs/dbraw/zinc/61/93/85/563619385.db2.gz VRXJVYMNCUXMDY-UHFFFAOYSA-N 1 1 324.211 3.700 50 30 DHEAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2ncccc2C#N)C1 ZINC000052244786 563786844 /nfs/dbraw/zinc/78/68/44/563786844.db2.gz RCRMZDWEQHQPIN-MRXNPFEDSA-N 1 1 320.440 3.797 50 30 DHEAMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000075106337 563859910 /nfs/dbraw/zinc/85/99/10/563859910.db2.gz JTXDBKITZUIAQQ-INIZCTEOSA-N 1 1 310.422 3.857 50 30 DHEAMO C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1C#N ZINC000055155048 563926365 /nfs/dbraw/zinc/92/63/65/563926365.db2.gz CCNCRPLVNQNDSG-UHFFFAOYSA-N 1 1 320.371 3.719 50 30 DHEAMO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1C#N ZINC000055155048 563926367 /nfs/dbraw/zinc/92/63/67/563926367.db2.gz CCNCRPLVNQNDSG-UHFFFAOYSA-N 1 1 320.371 3.719 50 30 DHEAMO Cc1[nH+]ccn1-c1cc(C(C)C)c(C#N)c2nc3ccccc3n21 ZINC000000551363 563927167 /nfs/dbraw/zinc/92/71/67/563927167.db2.gz KIYOFUZYUXGHQT-UHFFFAOYSA-N 1 1 315.380 3.977 50 30 DHEAMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1cccc(C#N)c1 ZINC000182015863 199374420 /nfs/dbraw/zinc/37/44/20/199374420.db2.gz BNBCXGFGFZBRNI-CYBMUJFWSA-N 1 1 320.421 3.928 50 30 DHEAMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC(F)F)cc1 ZINC000042977869 183324843 /nfs/dbraw/zinc/32/48/43/183324843.db2.gz HLMBJCQYKSCKDG-UHFFFAOYSA-N 1 1 302.324 3.792 50 30 DHEAMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C(N)=O)cc1 ZINC000027359909 518780533 /nfs/dbraw/zinc/78/05/33/518780533.db2.gz FMPBVYJBJSNOAC-UHFFFAOYSA-N 1 1 320.845 3.689 50 30 DHEAMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(C(N)=O)cc1 ZINC000027359909 518780539 /nfs/dbraw/zinc/78/05/39/518780539.db2.gz FMPBVYJBJSNOAC-UHFFFAOYSA-N 1 1 320.845 3.689 50 30 DHEAMO C=CCc1cc(C)ccc1OCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247423 519129809 /nfs/dbraw/zinc/12/98/09/519129809.db2.gz IJMONJPOIKUJHI-CALCHBBNSA-N 1 1 303.446 3.602 50 30 DHEAMO C=CCc1ccc(OCC[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000020322939 519137621 /nfs/dbraw/zinc/13/76/21/519137621.db2.gz VKDCAYYWUZXOHG-UHFFFAOYSA-N 1 1 323.436 3.861 50 30 DHEAMO Oc1c(C=[NH+]Nc2ccccc2)cc2c3c1CCCN3CCC2 ZINC000004811687 526321598 /nfs/dbraw/zinc/32/15/98/526321598.db2.gz HAVUYTALTVRZNO-DEDYPNTBSA-N 1 1 307.397 3.537 50 30 DHEAMO C=CC[N@@H+](CC(=O)Nc1cccc2ncccc21)C1CCCC1 ZINC000048311090 563695639 /nfs/dbraw/zinc/69/56/39/563695639.db2.gz QVLXHLZRISJSPX-UHFFFAOYSA-N 1 1 309.413 3.604 50 30 DHEAMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)o1 ZINC000216298243 563941335 /nfs/dbraw/zinc/94/13/35/563941335.db2.gz GPSHTFNVTVGAML-UYAOXDASSA-N 1 1 322.408 3.962 50 30 DHEAMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)o1 ZINC000216298243 563941336 /nfs/dbraw/zinc/94/13/36/563941336.db2.gz GPSHTFNVTVGAML-UYAOXDASSA-N 1 1 322.408 3.962 50 30 DHEAMO C=CC[N@@H+](Cc1ccsc1)C1CCN(Cc2ccco2)CC1 ZINC000952961146 1032672553 /nfs/dbraw/zinc/67/25/53/1032672553.db2.gz PCALGQHSOQDPCN-UHFFFAOYSA-N 1 1 316.470 3.994 50 30 DHEAMO Cc1cnc(C2CC2)n1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000575547017 1020976019 /nfs/dbraw/zinc/97/60/19/1020976019.db2.gz WCOUPCQLCRGQJS-IBGZPJMESA-N 1 1 320.440 3.778 50 30 DHEAMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000107135273 1023408686 /nfs/dbraw/zinc/40/86/86/1023408686.db2.gz LZTUMJFRIOUXTJ-GDBMZVCRSA-N 1 1 301.821 3.790 50 30 DHEAMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000107135273 1023408688 /nfs/dbraw/zinc/40/86/88/1023408688.db2.gz LZTUMJFRIOUXTJ-GDBMZVCRSA-N 1 1 301.821 3.790 50 30 DHEAMO CC(=NN1CC[NH+](C)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000254625628 1037954926 /nfs/dbraw/zinc/95/49/26/1037954926.db2.gz XJQDQESHUYGMHV-UHFFFAOYSA-N 1 1 307.397 3.557 50 30 DHEAMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1cccc(C#N)c1 ZINC000182015844 199374925 /nfs/dbraw/zinc/37/49/25/199374925.db2.gz BNBCXGFGFZBRNI-ZDUSSCGKSA-N 1 1 320.421 3.928 50 30 DHEAMO COc1cccc([C@H]2CCCC[N@H+]2Cc2cc(C#N)n(C)c2C)c1 ZINC000072447843 191168993 /nfs/dbraw/zinc/16/89/93/191168993.db2.gz SDTDINVBOXERLN-HXUWFJFHSA-N 1 1 323.440 3.941 50 30 DHEAMO C(=C/c1ccccc1)\C=N\N1CC[NH+](Cc2ccccc2)CC1 ZINC000019771460 182145121 /nfs/dbraw/zinc/14/51/21/182145121.db2.gz IUYKBDHNKXPWCD-VPQCTDNWSA-N 1 1 305.425 3.503 50 30 DHEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cccs3)CC2)c(C)c1 ZINC000019849406 182157407 /nfs/dbraw/zinc/15/74/07/182157407.db2.gz MLYWIJXPASTKBO-CPNJWEJPSA-N 1 1 313.470 3.517 50 30 DHEAMO CC(C)CC[C@](C)(O)C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000061999386 184200589 /nfs/dbraw/zinc/20/05/89/184200589.db2.gz FPZQVDCMRGOONA-WOJBJXKFSA-N 1 1 314.473 3.799 50 30 biogenic DHEAMO CC(C)CC[C@](C)(O)C#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000061999386 184200590 /nfs/dbraw/zinc/20/05/90/184200590.db2.gz FPZQVDCMRGOONA-WOJBJXKFSA-N 1 1 314.473 3.799 50 30 biogenic DHEAMO C=C(C)C[N@H+](CC)Cc1c[nH]nc1-c1ccc(OC)c(F)c1 ZINC000012299307 257263134 /nfs/dbraw/zinc/26/31/34/257263134.db2.gz FOYIRTRIXHKLPC-UHFFFAOYSA-N 1 1 303.381 3.622 50 30 DHEAMO C[NH+](C)Cc1ccc(NC(=O)Cc2cccc(O)c2)cc1Cl ZINC000328594666 257265321 /nfs/dbraw/zinc/26/53/21/257265321.db2.gz GHTGZIMGKJLCFY-UHFFFAOYSA-N 1 1 318.804 3.938 50 30 DHEAMO CC1(C#N)CC[NH+](Cc2cnn(-c3ccccc3Cl)c2)CC1 ZINC000215469109 333386976 /nfs/dbraw/zinc/38/69/76/333386976.db2.gz ULNXBXCYCPOJJN-UHFFFAOYSA-N 1 1 314.820 3.651 50 30 DHEAMO Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)c3ccsc3)CC2)o1 ZINC000329137975 335944833 /nfs/dbraw/zinc/94/48/33/335944833.db2.gz HWJKWKMQPFUAMR-GFCCVEGCSA-N 1 1 319.430 3.575 50 30 DHEAMO C=CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000015080766 518685536 /nfs/dbraw/zinc/68/55/36/518685536.db2.gz XUADOJIZZSZGRO-IBGZPJMESA-N 1 1 314.473 3.542 50 30 DHEAMO C=CCC[C@H](O)C[N@H+](CCC(C)C)Cc1cccc(OC)c1 ZINC000036100360 518724117 /nfs/dbraw/zinc/72/41/17/518724117.db2.gz VEQPWIXQGATUEY-SFHVURJKSA-N 1 1 305.462 3.870 50 30 DHEAMO C=CC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1OC ZINC000055271836 518776650 /nfs/dbraw/zinc/77/66/50/518776650.db2.gz NEGPASWIXAHHFA-UHFFFAOYSA-N 1 1 323.396 3.867 50 30 DHEAMO C=CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1OC ZINC000055271836 518776655 /nfs/dbraw/zinc/77/66/55/518776655.db2.gz NEGPASWIXAHHFA-UHFFFAOYSA-N 1 1 323.396 3.867 50 30 DHEAMO C=CCOc1ccccc1OCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016489377 519072224 /nfs/dbraw/zinc/07/22/24/519072224.db2.gz XNCYFUOYDVEMBK-CALCHBBNSA-N 1 1 319.445 3.520 50 30 DHEAMO Cc1ccc(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc1Cl ZINC000012655338 563372194 /nfs/dbraw/zinc/37/21/94/563372194.db2.gz GKBHDIZYWQMDBU-UHFFFAOYSA-N 1 1 323.179 3.779 50 30 DHEAMO N#Cc1ccc(OCC[N@@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000032668158 563375555 /nfs/dbraw/zinc/37/55/55/563375555.db2.gz ARNHKTRYHJYJBD-UHFFFAOYSA-N 1 1 304.393 3.726 50 30 DHEAMO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000034892240 563795532 /nfs/dbraw/zinc/79/55/32/563795532.db2.gz LSLJPLIQOKNCNR-CVEARBPZSA-N 1 1 306.409 3.834 50 30 DHEAMO C#CC[N@@H+](CCOc1ccc(Cl)cc1)Cc1cccc(C)n1 ZINC000072305022 563813442 /nfs/dbraw/zinc/81/34/42/563813442.db2.gz CILLNJLOPMWVAR-UHFFFAOYSA-N 1 1 314.816 3.558 50 30 DHEAMO C#CC[N@H+](CCOc1ccc(Cl)cc1)Cc1cccc(C)n1 ZINC000072305022 563813443 /nfs/dbraw/zinc/81/34/43/563813443.db2.gz CILLNJLOPMWVAR-UHFFFAOYSA-N 1 1 314.816 3.558 50 30 DHEAMO C=CC[N@H+](Cc1ccccc1C)Cc1ccccc1OCCO ZINC000055326795 563816694 /nfs/dbraw/zinc/81/66/94/563816694.db2.gz XSQRRRYMERDJRJ-UHFFFAOYSA-N 1 1 311.425 3.554 50 30 DHEAMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC000242302300 563920459 /nfs/dbraw/zinc/92/04/59/563920459.db2.gz YREPJBDPCOHFDG-XLNTUCKNSA-N 1 1 312.457 3.710 50 30 DHEAMO Cc1cc(C)c(C#N)c(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000067909748 563928376 /nfs/dbraw/zinc/92/83/76/563928376.db2.gz FPGFLYJWWHBLQM-INIZCTEOSA-N 1 1 321.424 3.630 50 30 DHEAMO C=CC[N@H+]1C[C@@H](C(=O)NCc2ccco2)CC[C@H]1c1ccccc1 ZINC000245339401 563952690 /nfs/dbraw/zinc/95/26/90/563952690.db2.gz SLGBYDNJWAHMBK-HKUYNNGSSA-N 1 1 324.424 3.535 50 30 DHEAMO C=C(C)C[NH+]1CCN(Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000952961458 1032671087 /nfs/dbraw/zinc/67/10/87/1032671087.db2.gz DIGXKFKJNAUWEN-UHFFFAOYSA-N 1 1 310.441 3.949 50 30 DHEAMO C=C(C)CN1CC[NH+](Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000952961458 1032671118 /nfs/dbraw/zinc/67/11/18/1032671118.db2.gz DIGXKFKJNAUWEN-UHFFFAOYSA-N 1 1 310.441 3.949 50 30 DHEAMO C=C(C)C[N@H+](CC)[C@H]1CCC(=O)N(Cc2ccccc2F)CC1 ZINC000012150240 1019918335 /nfs/dbraw/zinc/91/83/35/1019918335.db2.gz BLBXSRLDCJOLLY-KRWDZBQOSA-N 1 1 318.436 3.605 50 30 DHEAMO C[C@H]1C[C@@H]([N@@H+](C)CC2(CC#N)CC2)CCN1Cc1ccccc1 ZINC000585116808 1029773443 /nfs/dbraw/zinc/77/34/43/1029773443.db2.gz JGLOEBGKUFQRKB-HKUYNNGSSA-N 1 1 311.473 3.665 50 30 DHEAMO C[C@H]1C[C@@H](N(C)CC2(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000585116808 1029773451 /nfs/dbraw/zinc/77/34/51/1029773451.db2.gz JGLOEBGKUFQRKB-HKUYNNGSSA-N 1 1 311.473 3.665 50 30 DHEAMO C[C@H]1C[C@@H](N(C)CC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000585116808 1029773457 /nfs/dbraw/zinc/77/34/57/1029773457.db2.gz JGLOEBGKUFQRKB-HKUYNNGSSA-N 1 1 311.473 3.665 50 30 DHEAMO C[C@H](C1CC1)[N@@H+](C)CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000098054459 1034155885 /nfs/dbraw/zinc/15/58/85/1034155885.db2.gz VMNFCVJHLLXZCG-VCRXTVNUSA-N 1 1 312.457 3.597 50 30 DHEAMO C=C(C)C[N@H+](CC)Cc1cc(Br)c(O)c(OC)c1 ZINC000004988926 181185768 /nfs/dbraw/zinc/18/57/68/181185768.db2.gz PAGMTDMJUDGUPF-UHFFFAOYSA-N 1 1 314.223 3.561 50 30 DHEAMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000058147571 184081199 /nfs/dbraw/zinc/08/11/99/184081199.db2.gz DZZPBGZQSXAIKU-INIZCTEOSA-N 1 1 316.405 3.533 50 30 DHEAMO CC(C)CC[C@@](C)(O)C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000061999387 184200374 /nfs/dbraw/zinc/20/03/74/184200374.db2.gz FPZQVDCMRGOONA-UXHICEINSA-N 1 1 314.473 3.799 50 30 biogenic DHEAMO CC(C)CC[C@@](C)(O)C#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000061999387 184200376 /nfs/dbraw/zinc/20/03/76/184200376.db2.gz FPZQVDCMRGOONA-UXHICEINSA-N 1 1 314.473 3.799 50 30 biogenic DHEAMO CC(C)C(O)(C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)C(C)C ZINC000061997766 184200477 /nfs/dbraw/zinc/20/04/77/184200477.db2.gz NFNMUULOOQMVQX-IBGZPJMESA-N 1 1 314.473 3.655 50 30 biogenic DHEAMO CC(C)C(O)(C#CC[N@H+]1CCCC[C@H]1c1cccnc1)C(C)C ZINC000061997766 184200480 /nfs/dbraw/zinc/20/04/80/184200480.db2.gz NFNMUULOOQMVQX-IBGZPJMESA-N 1 1 314.473 3.655 50 30 biogenic DHEAMO C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1cc(C)ccn1 ZINC000067514741 518711201 /nfs/dbraw/zinc/71/12/01/518711201.db2.gz YXCIOAAKFVDFKL-SFHVURJKSA-N 1 1 311.429 3.631 50 30 DHEAMO COc1cccc(CNC(=[NH+]C(C)C)c2cccs2)c1OC ZINC000057991405 525926800 /nfs/dbraw/zinc/92/68/00/525926800.db2.gz VKVQVBSTLFKSBF-UHFFFAOYSA-N 1 1 318.442 3.710 50 30 DHEAMO C=CCn1cc(C[N@@H+](CC)Cc2ccccc2OCC)c(C)n1 ZINC000055167066 563815713 /nfs/dbraw/zinc/81/57/13/563815713.db2.gz JAZLHOIQCNJJST-UHFFFAOYSA-N 1 1 313.445 3.798 50 30 DHEAMO C=CCn1cc(C[N@H+](CC)Cc2ccccc2OCC)c(C)n1 ZINC000055167066 563815714 /nfs/dbraw/zinc/81/57/14/563815714.db2.gz JAZLHOIQCNJJST-UHFFFAOYSA-N 1 1 313.445 3.798 50 30 DHEAMO C[C@H](CC#N)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000053610324 563864000 /nfs/dbraw/zinc/86/40/00/563864000.db2.gz ZDQKCXMTPSCTEC-LLVKDONJSA-N 1 1 303.793 3.963 50 30 DHEAMO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000075604993 563884846 /nfs/dbraw/zinc/88/48/46/563884846.db2.gz HLFJLMOPONVHRB-OAHLLOKOSA-N 1 1 314.820 3.591 50 30 DHEAMO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000075604993 563884847 /nfs/dbraw/zinc/88/48/47/563884847.db2.gz HLFJLMOPONVHRB-OAHLLOKOSA-N 1 1 314.820 3.591 50 30 DHEAMO C[N@H+]1CCC[C@H](CNc2ncccc2C#N)[C@@H]1c1cccs1 ZINC000076063496 563912054 /nfs/dbraw/zinc/91/20/54/563912054.db2.gz PBLRWPIQTWVLMK-GDBMZVCRSA-N 1 1 312.442 3.510 50 30 DHEAMO C[N@@H+](CCCCCCCCC(=O)/C=N/[O-])Cc1ccccc1 ZINC000002214949 563919332 /nfs/dbraw/zinc/91/93/32/563919332.db2.gz XXMUAMDIEFEEKF-XDJHFCHBSA-N 1 1 304.434 3.878 50 30 DHEAMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC4(C3)CCCCC4)o2)cc1 ZINC000075768417 1032751740 /nfs/dbraw/zinc/75/17/40/1032751740.db2.gz MDFMEQFTSKNCGL-UHFFFAOYSA-N 1 1 322.412 3.764 50 30 DHEAMO C=CCc1cc(C[N@@H+](C)C[C@@H]2CCOC2)ccc1OC(C)C ZINC000820505657 1020192730 /nfs/dbraw/zinc/19/27/30/1020192730.db2.gz POVUBMZWFACRSA-KRWDZBQOSA-N 1 1 303.446 3.671 50 30 DHEAMO CC(C)c1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019771515 182145544 /nfs/dbraw/zinc/14/55/44/182145544.db2.gz CZDOZBKVEURNLN-CJLVFECKSA-N 1 1 321.468 3.962 50 30 DHEAMO Cc1ccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1 ZINC000019800700 182151487 /nfs/dbraw/zinc/15/14/87/182151487.db2.gz ZYQDBNZHUSNOKF-PXLXIMEGSA-N 1 1 321.468 3.764 50 30 DHEAMO Clc1ccc(OCC#CC[N@H+]2CCc3ccccc3C2)cc1 ZINC000020406281 182215169 /nfs/dbraw/zinc/21/51/69/182215169.db2.gz BSKXUELQLHQKLE-UHFFFAOYSA-N 1 1 311.812 3.781 50 30 DHEAMO C=CC[N@H+]1C[C@@H](C(=O)NCc2ccco2)CC[C@@H]1c1ccccc1 ZINC000037546227 518871351 /nfs/dbraw/zinc/87/13/51/518871351.db2.gz SLGBYDNJWAHMBK-PKOBYXMFSA-N 1 1 324.424 3.535 50 30 DHEAMO Cc1cccc(C(=[NH2+])NOC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000012655296 563372323 /nfs/dbraw/zinc/37/23/23/563372323.db2.gz KNNVECKXAMQQIB-UHFFFAOYSA-N 1 1 323.179 3.779 50 30 DHEAMO C=CCc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000002823358 563448899 /nfs/dbraw/zinc/44/88/99/563448899.db2.gz YIWVKPIIIXLBSB-INIZCTEOSA-N 1 1 303.446 3.925 50 30 DHEAMO CC(C)CC[C@](C)(O)C#CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000248242675 563603018 /nfs/dbraw/zinc/60/30/18/563603018.db2.gz FPZQVDCMRGOONA-VQTJNVASSA-N 1 1 314.473 3.799 50 30 DHEAMO CC(C)CC[C@](C)(O)C#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000248242675 563603019 /nfs/dbraw/zinc/60/30/19/563603019.db2.gz FPZQVDCMRGOONA-VQTJNVASSA-N 1 1 314.473 3.799 50 30 DHEAMO C[C@H]1CC[N@@H+](C)C[C@H]1C#CC(O)(c1ccccc1)c1ccccc1 ZINC000245245179 563604808 /nfs/dbraw/zinc/60/48/08/563604808.db2.gz BFXRASMNEAQTBE-RBUKOAKNSA-N 1 1 319.448 3.514 50 30 DHEAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc(C#N)cn2)C1 ZINC000052244893 563786668 /nfs/dbraw/zinc/78/66/68/563786668.db2.gz NDJPKDPHKNZXDE-MRXNPFEDSA-N 1 1 320.440 3.797 50 30 DHEAMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccn1 ZINC000055100348 563817011 /nfs/dbraw/zinc/81/70/11/563817011.db2.gz HSVLVQHYAXFOIY-UHFFFAOYSA-N 1 1 322.387 3.799 50 30 DHEAMO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccn1 ZINC000055100348 563817018 /nfs/dbraw/zinc/81/70/18/563817018.db2.gz HSVLVQHYAXFOIY-UHFFFAOYSA-N 1 1 322.387 3.799 50 30 DHEAMO CCCC[C@@](C)(O)C#CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000245225952 563881352 /nfs/dbraw/zinc/88/13/52/563881352.db2.gz BCQGGNURBLYCHL-RBUKOAKNSA-N 1 1 300.446 3.553 50 30 DHEAMO CCCC[C@@](C)(O)C#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000245225952 563881356 /nfs/dbraw/zinc/88/13/56/563881356.db2.gz BCQGGNURBLYCHL-RBUKOAKNSA-N 1 1 300.446 3.553 50 30 DHEAMO C=C(C)C[N@H+](C)Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000095994244 563934389 /nfs/dbraw/zinc/93/43/89/563934389.db2.gz DSMCPQLPUSBCCX-UHFFFAOYSA-N 1 1 318.442 3.835 50 30 DHEAMO C=C(C)C[N@@H+](C)Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000095994244 563934387 /nfs/dbraw/zinc/93/43/87/563934387.db2.gz DSMCPQLPUSBCCX-UHFFFAOYSA-N 1 1 318.442 3.835 50 30 DHEAMO CCc1noc(C)c1CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000122635510 568418523 /nfs/dbraw/zinc/41/85/23/568418523.db2.gz FDIMGGKDBZQVOL-UHFFFAOYSA-N 1 1 317.433 3.551 50 30 DHEAMO C=C(C)C[N@@H+](CC)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000096992601 185395509 /nfs/dbraw/zinc/39/55/09/185395509.db2.gz JPWPVTQBZPQBKD-UHFFFAOYSA-N 1 1 316.474 3.550 50 30 DHEAMO C=C(C)C[N@H+](CC)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000096992601 185395510 /nfs/dbraw/zinc/39/55/10/185395510.db2.gz JPWPVTQBZPQBKD-UHFFFAOYSA-N 1 1 316.474 3.550 50 30 DHEAMO [NH2+]=C(NOC(=O)c1sccc1Cl)c1ccc(Cl)cc1 ZINC000004324011 181097921 /nfs/dbraw/zinc/09/79/21/181097921.db2.gz PVVOIYZYJNXBEQ-UHFFFAOYSA-N 1 1 315.181 3.532 50 30 DHEAMO [NH2+]=C(NOC(=O)Nc1ccc2ccccc2c1)c1ccccc1 ZINC000004452589 181109850 /nfs/dbraw/zinc/10/98/50/181109850.db2.gz VEXRRYIZONXZDH-UHFFFAOYSA-N 1 1 305.337 3.709 50 30 DHEAMO C=CC[C@]1(CO)CCC[N@@H+](Cc2cc(C3CCCCC3)no2)C1 ZINC000091416955 193053261 /nfs/dbraw/zinc/05/32/61/193053261.db2.gz WJWKHZJHBNARQS-IBGZPJMESA-N 1 1 318.461 3.873 50 30 DHEAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)c(OC)c1 ZINC000016382607 182043065 /nfs/dbraw/zinc/04/30/65/182043065.db2.gz XXGKXTSECDJDRB-IBGZPJMESA-N 1 1 322.408 3.913 50 30 DHEAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2C#N)c(OC)c1 ZINC000016382607 182043068 /nfs/dbraw/zinc/04/30/68/182043068.db2.gz XXGKXTSECDJDRB-IBGZPJMESA-N 1 1 322.408 3.913 50 30 DHEAMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C#N)c1ccccc1Cl ZINC000057326776 184033558 /nfs/dbraw/zinc/03/35/58/184033558.db2.gz VBKTYCWQOKNSJN-GFCCVEGCSA-N 1 1 313.788 3.501 50 30 DHEAMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCc2ccccc21 ZINC000058161024 184082094 /nfs/dbraw/zinc/08/20/94/184082094.db2.gz HDCQIWLPSURARE-LJQANCHMSA-N 1 1 319.408 3.506 50 30 DHEAMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCc2ccccc21 ZINC000058161025 184082474 /nfs/dbraw/zinc/08/24/74/184082474.db2.gz HDCQIWLPSURARE-IBGZPJMESA-N 1 1 319.408 3.506 50 30 DHEAMO 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184114975 /nfs/dbraw/zinc/11/49/75/184114975.db2.gz PIIZQFPTMBSNQS-UHFFFAOYSA-N 1 1 324.334 3.943 50 30 DHEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1cccc(F)c1 ZINC000036104268 518718484 /nfs/dbraw/zinc/71/84/84/518718484.db2.gz KHDBPAFIVKHNKQ-QGZVFWFLSA-N 1 1 303.377 3.748 50 30 DHEAMO C=CCc1ccccc1OCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247538 519143639 /nfs/dbraw/zinc/14/36/39/519143639.db2.gz HAXWKPMSXNFRIR-CALCHBBNSA-N 1 1 303.446 3.683 50 30 DHEAMO CCCCCCCCOC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000001604784 520038816 /nfs/dbraw/zinc/03/88/16/520038816.db2.gz LEYORBXXAFPSGY-QGZVFWFLSA-N 1 1 316.445 3.941 50 30 in-vitro DHEAMO Cc1cccc(C(=[NH2+])NOC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000005112322 563329272 /nfs/dbraw/zinc/32/92/72/563329272.db2.gz YHCNOBOITOUQJZ-UHFFFAOYSA-N 1 1 323.179 3.779 50 30 DHEAMO CC[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000096441441 563482390 /nfs/dbraw/zinc/48/23/90/563482390.db2.gz BGAZWARFYIUYBI-AWEZNQCLSA-N 1 1 310.401 3.620 50 30 DHEAMO C=CC[N@H+](Cc1ccc(F)cc1)Cc1cnc(NC(C)C)nc1 ZINC000055357641 563816855 /nfs/dbraw/zinc/81/68/55/563816855.db2.gz HQBYUVXQFWDXDC-UHFFFAOYSA-N 1 1 314.408 3.624 50 30 DHEAMO C=CC[N@@H+](Cc1ccc(F)cc1)Cc1cnc(NC(C)C)nc1 ZINC000055357641 563816858 /nfs/dbraw/zinc/81/68/58/563816858.db2.gz HQBYUVXQFWDXDC-UHFFFAOYSA-N 1 1 314.408 3.624 50 30 DHEAMO C[C@@](O)(C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000248319353 563883272 /nfs/dbraw/zinc/88/32/72/563883272.db2.gz QEJMNZRTUNAIPH-LEWJYISDSA-N 1 1 320.436 3.520 50 30 DHEAMO C[C@@](O)(C#CC[N@H+]1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000248319353 563883274 /nfs/dbraw/zinc/88/32/74/563883274.db2.gz QEJMNZRTUNAIPH-LEWJYISDSA-N 1 1 320.436 3.520 50 30 DHEAMO C=CC[N@H+]1C[C@H](C(=O)NCc2ccco2)CC[C@@H]1c1ccccc1 ZINC000037546226 563918703 /nfs/dbraw/zinc/91/87/03/563918703.db2.gz SLGBYDNJWAHMBK-IEBWSBKVSA-N 1 1 324.424 3.535 50 30 DHEAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC000012987158 563929035 /nfs/dbraw/zinc/92/90/35/563929035.db2.gz SLKOWEBZLCCQTD-LJQANCHMSA-N 1 1 322.408 3.913 50 30 DHEAMO CC(C)n1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000095362913 563931107 /nfs/dbraw/zinc/93/11/07/563931107.db2.gz YNVSAWHDCNIGIP-SFHVURJKSA-N 1 1 308.429 3.715 50 30 DHEAMO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2nccn2CC2CC2)C1 ZINC000082107050 192356658 /nfs/dbraw/zinc/35/66/58/192356658.db2.gz YHIUZUYLPYSXJD-IBGZPJMESA-N 1 1 320.440 3.544 50 30 DHEAMO [NH2+]=C(Cc1cccc2ccccc21)NOC(=O)Nc1ccccc1 ZINC000004392978 181106864 /nfs/dbraw/zinc/10/68/64/181106864.db2.gz BIMISUHNUKJSQZ-UHFFFAOYSA-N 1 1 319.364 3.903 50 30 DHEAMO COc1ccc(Cl)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000016422780 182044335 /nfs/dbraw/zinc/04/43/35/182044335.db2.gz IXVVTDBNRODMBJ-UHFFFAOYSA-N 1 1 300.789 3.852 50 30 DHEAMO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000016422780 182044336 /nfs/dbraw/zinc/04/43/36/182044336.db2.gz IXVVTDBNRODMBJ-UHFFFAOYSA-N 1 1 300.789 3.852 50 30 DHEAMO Cc1[nH+]ccn1-c1ccccc1CNc1cccc(F)c1C#N ZINC000058421383 184115816 /nfs/dbraw/zinc/11/58/16/184115816.db2.gz RMRLFWZJCNBRIQ-UHFFFAOYSA-N 1 1 306.344 3.804 50 30 DHEAMO C=C(C)C[N@H+](C)Cc1ccc(C(=O)Nc2ncccc2C)cc1 ZINC000065434792 184344651 /nfs/dbraw/zinc/34/46/51/184344651.db2.gz PKRKNBXHXOFGBC-UHFFFAOYSA-N 1 1 309.413 3.650 50 30 DHEAMO CC(C)[N@@H+](CCCCCCNC(=O)OC(C)(C)C)CC(N)=O ZINC000328596074 257264776 /nfs/dbraw/zinc/26/47/76/257264776.db2.gz QUQBWIFTDYDIMF-UHFFFAOYSA-N 1 1 315.458 3.522 50 30 DHEAMO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cccc(C(F)F)c1)CC2 ZINC000328598140 257265271 /nfs/dbraw/zinc/26/52/71/257265271.db2.gz KJJAZIDLBJYYLK-GFCCVEGCSA-N 1 1 305.328 3.980 50 30 DHEAMO C=CCc1cc(Cl)ccc1OCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013153569 519133089 /nfs/dbraw/zinc/13/30/89/519133089.db2.gz KWWLFRDAAIHMKQ-OKILXGFUSA-N 1 1 309.837 3.557 50 30 DHEAMO C=CCc1cc(Cl)ccc1OCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013153569 519133097 /nfs/dbraw/zinc/13/30/97/519133097.db2.gz KWWLFRDAAIHMKQ-OKILXGFUSA-N 1 1 309.837 3.557 50 30 DHEAMO C=CCn1c(C)nn(C[NH2+]C(C)(C)c2ccc(F)cc2)c1=S ZINC000065603873 519173293 /nfs/dbraw/zinc/17/32/93/519173293.db2.gz RJCKHLJSQLYQBI-UHFFFAOYSA-N 1 1 320.437 3.530 50 30 DHEAMO Cc1ccc(C[NH+]2CCN(/N=C/C=C/c3ccccc3)CC2)cc1 ZINC000033383905 524451918 /nfs/dbraw/zinc/45/19/18/524451918.db2.gz XXFYHFJWJOOBED-OWTPYQNBSA-N 1 1 319.452 3.812 50 30 DHEAMO C[N@H+]1CCC[C@H](CNc2ccc(C#N)cn2)[C@H]1c1cccs1 ZINC000107060423 563682874 /nfs/dbraw/zinc/68/28/74/563682874.db2.gz ZMYRGEHOIBWTSX-PBHICJAKSA-N 1 1 312.442 3.510 50 30 DHEAMO C=C(C)C[N@@H+](CC)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000006939083 563900095 /nfs/dbraw/zinc/90/00/95/563900095.db2.gz QBPPQPAPTNEVPV-WMLDXEAASA-N 1 1 311.853 3.677 50 30 DHEAMO C=CC[C@H]1[N@H+](Cc2nnc3n2CCCCC3)CCCC1(C)C ZINC000252485764 563915944 /nfs/dbraw/zinc/91/59/44/563915944.db2.gz HDGWWWZICUVYSO-OAHLLOKOSA-N 1 1 302.466 3.571 50 30 DHEAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccccc2C#N)c1 ZINC000012995040 563929102 /nfs/dbraw/zinc/92/91/02/563929102.db2.gz HJZZPNUSLNVIDD-LJQANCHMSA-N 1 1 322.408 3.913 50 30 DHEAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccccc2C#N)c1 ZINC000012995040 563929103 /nfs/dbraw/zinc/92/91/03/563929103.db2.gz HJZZPNUSLNVIDD-LJQANCHMSA-N 1 1 322.408 3.913 50 30 DHEAMO Cc1[nH+]ccn1-c1cc(CNc2ccc(Cl)cc2C#N)ccn1 ZINC000069894018 563955236 /nfs/dbraw/zinc/95/52/36/563955236.db2.gz IEGQLSLDIHJCHX-UHFFFAOYSA-N 1 1 323.787 3.713 50 30 DHEAMO C[C@@H]1C[C@H]([N@@H+](C)CC2(CC#N)CC2)CCN1Cc1ccccc1 ZINC000585116809 1029774307 /nfs/dbraw/zinc/77/43/07/1029774307.db2.gz JGLOEBGKUFQRKB-IEBWSBKVSA-N 1 1 311.473 3.665 50 30 DHEAMO C[C@@H]1C[C@H](N(C)CC2(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000585116809 1029774315 /nfs/dbraw/zinc/77/43/15/1029774315.db2.gz JGLOEBGKUFQRKB-IEBWSBKVSA-N 1 1 311.473 3.665 50 30 DHEAMO C[C@@H]1C[C@H](N(C)CC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000585116809 1029774321 /nfs/dbraw/zinc/77/43/21/1029774321.db2.gz JGLOEBGKUFQRKB-IEBWSBKVSA-N 1 1 311.473 3.665 50 30 DHEAMO Cn1cc(C[N@H+]2CCCC[C@H]2CCc2cccc(O)c2)cc1C#N ZINC000072119551 191038930 /nfs/dbraw/zinc/03/89/30/191038930.db2.gz QIFRQQUWCQXCBF-SFHVURJKSA-N 1 1 323.440 3.590 50 30 DHEAMO N#Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072129682 191045211 /nfs/dbraw/zinc/04/52/11/191045211.db2.gz UYYWEIQVCPMVIM-FQEVSTJZSA-N 1 1 318.420 3.582 50 30 DHEAMO C[N@H+]1CCc2[nH]c(=S)c(C#N)c(-c3ccc(Cl)cc3)c2C1 ZINC000006857593 181398277 /nfs/dbraw/zinc/39/82/77/181398277.db2.gz VEALREUGNWFHGV-UHFFFAOYSA-N 1 1 315.829 3.550 50 30 DHEAMO C=CC[C@]1(CO)CCC[N@H+](CCOc2ccc(C)cc2Cl)C1 ZINC000091754965 193102208 /nfs/dbraw/zinc/10/22/08/193102208.db2.gz NZBZTTUGSDPSEX-SFHVURJKSA-N 1 1 323.864 3.678 50 30 DHEAMO C=C(C)C[N@H+](C)Cc1ccc(C(=O)Nc2cc(C)ns2)cc1 ZINC000065468897 184350530 /nfs/dbraw/zinc/35/05/30/184350530.db2.gz YDYXWCXKWSTASW-UHFFFAOYSA-N 1 1 315.442 3.712 50 30 DHEAMO COc1ccccc1OC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000065498149 184355235 /nfs/dbraw/zinc/35/52/35/184355235.db2.gz IDJSUSOKRAKTMU-UHFFFAOYSA-N 1 1 322.408 3.610 50 30 DHEAMO C=C(C)COc1ccccc1C[NH2+]Cc1snnc1C(C)C ZINC000055227695 518623948 /nfs/dbraw/zinc/62/39/48/518623948.db2.gz IRRTZRUHWDBGMB-UHFFFAOYSA-N 1 1 317.458 3.906 50 30 DHEAMO CCOC(=O)c1ccc(NC(=[NH2+])SCc2ccccc2)cc1 ZINC000004347960 563327397 /nfs/dbraw/zinc/32/73/97/563327397.db2.gz QKOZSDHNEWYNAN-UHFFFAOYSA-N 1 1 314.410 3.743 50 30 DHEAMO C[NH+]=C(Nc1cc(C)nn1-c1ccccc1)c1ccc(F)cc1 ZINC000012504786 563370576 /nfs/dbraw/zinc/37/05/76/563370576.db2.gz SHDACFGLZIXQGZ-UHFFFAOYSA-N 1 1 308.360 3.618 50 30 DHEAMO Clc1cccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000005016646 563450317 /nfs/dbraw/zinc/45/03/17/563450317.db2.gz VGOYOZSCGMVEJZ-CPNJWEJPSA-N 1 1 315.804 3.623 50 30 DHEAMO CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000096441440 563482458 /nfs/dbraw/zinc/48/24/58/563482458.db2.gz BGAZWARFYIUYBI-CQSZACIVSA-N 1 1 310.401 3.620 50 30 DHEAMO C[N@@H+](CCOc1ccc(C#N)cc1)[C@@H]1CCCc2ccccc21 ZINC000015291613 563803781 /nfs/dbraw/zinc/80/37/81/563803781.db2.gz RQZKCZPPPBICKU-HXUWFJFHSA-N 1 1 306.409 3.946 50 30 DHEAMO N#Cc1ccc(F)c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000026120202 563851151 /nfs/dbraw/zinc/85/11/51/563851151.db2.gz DQPWTVVUNSQKHJ-FQEVSTJZSA-N 1 1 324.399 3.643 50 30 DHEAMO OC1(C#CC[N@@H+]2CCCC[C@H]2c2cccnc2)CCCCCC1 ZINC000055142305 563927498 /nfs/dbraw/zinc/92/74/98/563927498.db2.gz QIUQYYZJIZDBNU-IBGZPJMESA-N 1 1 312.457 3.697 50 30 biogenic,in-vitro DHEAMO OC1(C#CC[N@H+]2CCCC[C@H]2c2cccnc2)CCCCCC1 ZINC000055142305 563927500 /nfs/dbraw/zinc/92/75/00/563927500.db2.gz QIUQYYZJIZDBNU-IBGZPJMESA-N 1 1 312.457 3.697 50 30 biogenic,in-vitro DHEAMO CC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)o2)CC[C@@]1(C)O ZINC000067803487 563928180 /nfs/dbraw/zinc/92/81/80/563928180.db2.gz MZROBQBTYYAXSL-OXJNMPFZSA-N 1 1 324.424 3.801 50 30 DHEAMO CC(C)[C@H]1CN(Cc2cccc(C#N)c2)CCC[N@H+]1CC1CC1 ZINC000071748245 191021365 /nfs/dbraw/zinc/02/13/65/191021365.db2.gz NXMIELBRWDUIOM-HXUWFJFHSA-N 1 1 311.473 3.501 50 30 DHEAMO C[NH+]1CCN(/N=C/c2c3ccccc3cc3ccccc32)CC1 ZINC000005033971 181194751 /nfs/dbraw/zinc/19/47/51/181194751.db2.gz AOLSHLOOPLHLOR-RCCKNPSSSA-N 1 1 303.409 3.574 50 30 DHEAMO C=CCNc1nc(C[NH+]2CCCCC2)nc2sc(C)c(C)c21 ZINC000006881615 181399985 /nfs/dbraw/zinc/39/99/85/181399985.db2.gz BHEUZQCBZCTCBK-UHFFFAOYSA-N 1 1 316.474 3.892 50 30 DHEAMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000058147565 184080791 /nfs/dbraw/zinc/08/07/91/184080791.db2.gz DZZPBGZQSXAIKU-MRXNPFEDSA-N 1 1 316.405 3.533 50 30 DHEAMO C=C(C)COc1cccc(C[N@H+](Cc2cnn(C)c2)C2CC2)c1 ZINC000055198497 518619393 /nfs/dbraw/zinc/61/93/93/518619393.db2.gz LRFMZSKEOWNJPX-UHFFFAOYSA-N 1 1 311.429 3.540 50 30 DHEAMO C=CCc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000004907631 519138314 /nfs/dbraw/zinc/13/83/14/519138314.db2.gz XPDVCAMNVZDWBY-IYBDPMFKSA-N 1 1 303.446 3.780 50 30 DHEAMO C=CCn1cc(C[N@H+](C)Cc2cccc3cccnc32)c(C)n1 ZINC000055403293 519276205 /nfs/dbraw/zinc/27/62/05/519276205.db2.gz ARQUZGWTQONSGN-UHFFFAOYSA-N 1 1 306.413 3.558 50 30 DHEAMO C=CCn1cc(C[N@H+](C)Cc2cc3cc(F)ccc3[nH]2)c(C)n1 ZINC000055414967 519276382 /nfs/dbraw/zinc/27/63/82/519276382.db2.gz IKLYIRAQZWQRKH-UHFFFAOYSA-N 1 1 312.392 3.630 50 30 DHEAMO C=CCn1cc(C[N@@H+](C)Cc2cc3cc(F)ccc3[nH]2)c(C)n1 ZINC000055414967 519276390 /nfs/dbraw/zinc/27/63/90/519276390.db2.gz IKLYIRAQZWQRKH-UHFFFAOYSA-N 1 1 312.392 3.630 50 30 DHEAMO CCSc1nc2c(c(-c3ccsc3)c1C#N)C[N@@H+](C)CC2 ZINC000033700310 563596358 /nfs/dbraw/zinc/59/63/58/563596358.db2.gz PVYBCPKKCFTPBK-UHFFFAOYSA-N 1 1 315.467 3.782 50 30 DHEAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2ncccc2C#N)C1 ZINC000052244788 563786661 /nfs/dbraw/zinc/78/66/61/563786661.db2.gz RCRMZDWEQHQPIN-INIZCTEOSA-N 1 1 320.440 3.797 50 30 DHEAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc(C#N)cn1 ZINC000052245113 563786750 /nfs/dbraw/zinc/78/67/50/563786750.db2.gz BFBUPDQXWVGTLI-MRXNPFEDSA-N 1 1 320.440 3.940 50 30 DHEAMO C/C(C=NN1CC[NH+](Cc2ccccc2)CC1)=C\c1ccccc1 ZINC000245238238 563881296 /nfs/dbraw/zinc/88/12/96/563881296.db2.gz HBIXGQWYCSADMV-PLFMGXQMSA-N 1 1 319.452 3.894 50 30 DHEAMO Cc1cnc(C2CC2)n1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000575547018 1020975842 /nfs/dbraw/zinc/97/58/42/1020975842.db2.gz WCOUPCQLCRGQJS-LJQANCHMSA-N 1 1 320.440 3.778 50 30 DHEAMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000084636284 1035335460 /nfs/dbraw/zinc/33/54/60/1035335460.db2.gz VMNFCVJHLLXZCG-BXUJETTOSA-N 1 1 312.457 3.597 50 30 DHEAMO C=CC[N@H+](Cc1ccco1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055575591 518788311 /nfs/dbraw/zinc/78/83/11/518788311.db2.gz NAAXSDWXYJFGAA-UHFFFAOYSA-N 1 1 311.360 3.997 50 30 DHEAMO C=CC[N@@H+](Cc1ccco1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055575591 518788316 /nfs/dbraw/zinc/78/83/16/518788316.db2.gz NAAXSDWXYJFGAA-UHFFFAOYSA-N 1 1 311.360 3.997 50 30 DHEAMO COc1ccc2[nH]cc(CC/[NH+]=C/c3ccc(O)c(OC)c3)c2c1 ZINC000003145129 525490157 /nfs/dbraw/zinc/49/01/57/525490157.db2.gz PZXZWNUMFPBKGU-RGVLZGJSSA-N 1 1 324.380 3.552 50 30 DHEAMO [NH2+]=C(NOC(=O)CCCc1ccccc1)c1ccc(Cl)cc1 ZINC000004318729 563327182 /nfs/dbraw/zinc/32/71/82/563327182.db2.gz JULJGIACQIEZAZ-UHFFFAOYSA-N 1 1 316.788 3.526 50 30 DHEAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc(C#N)cn2)C1 ZINC000052244894 563787035 /nfs/dbraw/zinc/78/70/35/563787035.db2.gz NDJPKDPHKNZXDE-INIZCTEOSA-N 1 1 320.440 3.797 50 30 DHEAMO COc1ccc([C@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)cc1 ZINC000015300610 563803428 /nfs/dbraw/zinc/80/34/28/563803428.db2.gz IDVYNAAFBZXWLH-HXUWFJFHSA-N 1 1 322.408 3.783 50 30 DHEAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC000012931046 563855434 /nfs/dbraw/zinc/85/54/34/563855434.db2.gz PWKZANOFNDEEKW-IBGZPJMESA-N 1 1 322.408 3.913 50 30 DHEAMO Cc1cc(Br)ccc1C[N@H+](C)C[C@H](C#N)CCC#N ZINC000390835693 563864883 /nfs/dbraw/zinc/86/48/83/563864883.db2.gz VDYXIEMJQKEVIO-ZDUSSCGKSA-N 1 1 320.234 3.633 50 30 DHEAMO Cc1cc(Br)ccc1C[N@@H+](C)C[C@H](C#N)CCC#N ZINC000390835693 563864885 /nfs/dbraw/zinc/86/48/85/563864885.db2.gz VDYXIEMJQKEVIO-ZDUSSCGKSA-N 1 1 320.234 3.633 50 30 DHEAMO CCS[C@H]1CCCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000170625707 563908856 /nfs/dbraw/zinc/90/88/56/563908856.db2.gz RJIOZBMJKCZMKW-INIZCTEOSA-N 1 1 313.470 3.919 50 30 DHEAMO C[N@H+]1CCC[C@@H](CNc2ncccc2C#N)[C@@H]1c1cccs1 ZINC000076063499 563912209 /nfs/dbraw/zinc/91/22/09/563912209.db2.gz PBLRWPIQTWVLMK-GOEBONIOSA-N 1 1 312.442 3.510 50 30 DHEAMO Clc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000004117363 563945397 /nfs/dbraw/zinc/94/53/97/563945397.db2.gz XQMWKTJNWXSYTN-CPNJWEJPSA-N 1 1 315.804 3.623 50 30 DHEAMO CC(C)[C@@H]1CN(Cc2ccc(C#N)cc2)CCC[N@H+]1CC1CC1 ZINC000071753898 191024042 /nfs/dbraw/zinc/02/40/42/191024042.db2.gz JHEYIFOYCOOYMM-FQEVSTJZSA-N 1 1 311.473 3.501 50 30 DHEAMO Cn1cc(C[N@H+]2CCCC[C@@H]2CCc2cccc(O)c2)cc1C#N ZINC000072119550 191039526 /nfs/dbraw/zinc/03/95/26/191039526.db2.gz QIFRQQUWCQXCBF-GOSISDBHSA-N 1 1 323.440 3.590 50 30 DHEAMO C/C(=N/N1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC000019773184 182145432 /nfs/dbraw/zinc/14/54/32/182145432.db2.gz FTTLXAVQXDBROA-UZYVYHOESA-N 1 1 307.441 3.537 50 30 DHEAMO C=CC[C@H]1C=C(C)C[C@H](CC=C)[N@@H+]1Cc1cnc(COC)nc1 ZINC000063856211 184289808 /nfs/dbraw/zinc/28/98/08/184289808.db2.gz KCKTWPPTCFXLEO-ROUUACIJSA-N 1 1 313.445 3.664 50 30 DHEAMO C=CCC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccc(OC)c1 ZINC000036100358 518712804 /nfs/dbraw/zinc/71/28/04/518712804.db2.gz VEQPWIXQGATUEY-GOSISDBHSA-N 1 1 305.462 3.870 50 30 DHEAMO CCCCCCCCOC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000001666482 520039485 /nfs/dbraw/zinc/03/94/85/520039485.db2.gz LEYORBXXAFPSGY-KRWDZBQOSA-N 1 1 316.445 3.941 50 30 in-vitro DHEAMO COc1ccnc(CSC(=[NH2+])Nc2cccc(Cl)c2)c1 ZINC000004114677 524834775 /nfs/dbraw/zinc/83/47/75/524834775.db2.gz NSBHTLWBVUETRO-UHFFFAOYSA-N 1 1 307.806 3.623 50 30 DHEAMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC000242302298 563920467 /nfs/dbraw/zinc/92/04/67/563920467.db2.gz YREPJBDPCOHFDG-TTYHFUOFSA-N 1 1 312.457 3.710 50 30 DHEAMO C=Cc1cccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@@H+]2C)c1 ZINC000067642776 563928243 /nfs/dbraw/zinc/92/82/43/563928243.db2.gz LKFSUCWYAWWAFK-WMLDXEAASA-N 1 1 316.408 3.537 50 30 DHEAMO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCc2ccccc21 ZINC000070040546 563955752 /nfs/dbraw/zinc/95/57/52/563955752.db2.gz VTVIEPYBSJAOKI-IBGZPJMESA-N 1 1 301.393 3.930 50 30 DHEAMO C=CCc1cc(C[N@@H+](C)CC2(C)COC2)ccc1OC(C)C ZINC000820505608 1020193171 /nfs/dbraw/zinc/19/31/71/1020193171.db2.gz GQGWTWRHWNJYQQ-UHFFFAOYSA-N 1 1 303.446 3.671 50 30 DHEAMO CC(C)[C@H]1CN(Cc2ccc(C#N)cc2)CCC[N@H+]1CC1CC1 ZINC000071753899 191023084 /nfs/dbraw/zinc/02/30/84/191023084.db2.gz JHEYIFOYCOOYMM-HXUWFJFHSA-N 1 1 311.473 3.501 50 30 DHEAMO Cc1ccccc1CSc1nc2c(cc1C#N)C[N@@H+](C)CC2 ZINC000020230574 182199674 /nfs/dbraw/zinc/19/96/74/182199674.db2.gz OIDIXAJGDPPLFI-UHFFFAOYSA-N 1 1 309.438 3.542 50 30 DHEAMO Cc1ccc(CSc2nc3c(cc2C#N)C[N@@H+](C)CC3)cc1 ZINC000020661007 182241900 /nfs/dbraw/zinc/24/19/00/182241900.db2.gz NOERRPJOITYEDQ-UHFFFAOYSA-N 1 1 309.438 3.542 50 30 DHEAMO C=CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000058013838 184067423 /nfs/dbraw/zinc/06/74/23/184067423.db2.gz WYFOOQMOZOEUHF-GOSISDBHSA-N 1 1 315.438 3.899 50 30 DHEAMO C=CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000058013838 184067424 /nfs/dbraw/zinc/06/74/24/184067424.db2.gz WYFOOQMOZOEUHF-GOSISDBHSA-N 1 1 315.438 3.899 50 30 DHEAMO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccccc1)C1CC1 ZINC000058442093 184119155 /nfs/dbraw/zinc/11/91/55/184119155.db2.gz ZERBUUSIFNSLSZ-UHFFFAOYSA-N 1 1 319.408 3.551 50 30 DHEAMO Cc1[nH+]ccn1CCCNC(=O)c1coc(C2CCCCC2)n1 ZINC000330032580 257260952 /nfs/dbraw/zinc/26/09/52/257260952.db2.gz PIAHRVSLMQAKTM-UHFFFAOYSA-N 1 1 316.405 3.622 50 30 DHEAMO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccco2)cc1OC ZINC000007525151 563832222 /nfs/dbraw/zinc/83/22/22/563832222.db2.gz FKTGUIOZTJJOCR-UHFFFAOYSA-N 1 1 307.777 3.796 50 30 DHEAMO Cc1csc(C(=O)ONC(=[NH2+])c2ccc(C(C)(C)C)cc2)c1 ZINC000004324057 563326789 /nfs/dbraw/zinc/32/67/89/563326789.db2.gz AHNKRXVTJPVKBZ-UHFFFAOYSA-N 1 1 316.426 3.831 50 30 DHEAMO CC(/C=N/N1CC[NH+](Cc2ccccc2)CC1)=C\c1ccccc1 ZINC000012342813 563367220 /nfs/dbraw/zinc/36/72/20/563367220.db2.gz HBIXGQWYCSADMV-PNLNHYMSSA-N 1 1 319.452 3.894 50 30 DHEAMO Cc1cnc([C@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC000329315970 563606170 /nfs/dbraw/zinc/60/61/70/563606170.db2.gz BDQWREMSVFGNSH-UONOGXRCSA-N 1 1 305.422 3.655 50 30 DHEAMO COc1cc2c(cc1OC)C(Nc1ccccc1)=[NH+]C(C)(C)C2 ZINC000018188882 563652744 /nfs/dbraw/zinc/65/27/44/563652744.db2.gz YECCPWOCGVXZRP-UHFFFAOYSA-N 1 1 310.397 3.706 50 30 DHEAMO C[C@@](O)(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)c1ccccc1 ZINC000055243834 563927900 /nfs/dbraw/zinc/92/79/00/563927900.db2.gz QEJMNZRTUNAIPH-NHCUHLMSSA-N 1 1 320.436 3.520 50 30 biogenic DHEAMO C[C@@](O)(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)c1ccccc1 ZINC000055243834 563927901 /nfs/dbraw/zinc/92/79/01/563927901.db2.gz QEJMNZRTUNAIPH-NHCUHLMSSA-N 1 1 320.436 3.520 50 30 biogenic DHEAMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCCc2ccccc21 ZINC000008126499 563946777 /nfs/dbraw/zinc/94/67/77/563946777.db2.gz OMXFSPWBSYPULF-IBGZPJMESA-N 1 1 319.408 3.506 50 30 DHEAMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2nccn2CC2CC2)C1 ZINC000082107051 192357136 /nfs/dbraw/zinc/35/71/36/192357136.db2.gz YHIUZUYLPYSXJD-LJQANCHMSA-N 1 1 320.440 3.544 50 30 DHEAMO CCn1cc(C[N@H+](C)Cc2cc(-c3ccccc3)no2)cc1C#N ZINC000072150200 191055350 /nfs/dbraw/zinc/05/53/50/191055350.db2.gz JXOFTHULEJFTEM-UHFFFAOYSA-N 1 1 320.396 3.667 50 30 DHEAMO CCn1cc(C[N@@H+](C)Cc2cc(-c3ccccc3)no2)cc1C#N ZINC000072150200 191055352 /nfs/dbraw/zinc/05/53/52/191055352.db2.gz JXOFTHULEJFTEM-UHFFFAOYSA-N 1 1 320.396 3.667 50 30 DHEAMO C=CC[N@H+](Cc1ccc(NC(C)=O)cc1)Cc1ccccc1OC ZINC000055310164 518781594 /nfs/dbraw/zinc/78/15/94/518781594.db2.gz OVGZTEQPUIHYDM-UHFFFAOYSA-N 1 1 324.424 3.842 50 30 DHEAMO C=CC[N@@H+](Cc1ccc(NC(C)=O)cc1)Cc1ccccc1OC ZINC000055310164 518781599 /nfs/dbraw/zinc/78/15/99/518781599.db2.gz OVGZTEQPUIHYDM-UHFFFAOYSA-N 1 1 324.424 3.842 50 30 DHEAMO CC[C@@H](C(=O)ONC(=[NH2+])c1ccc(Cl)cc1)c1ccccc1 ZINC000004845225 521884461 /nfs/dbraw/zinc/88/44/61/521884461.db2.gz ZCPUDMKRQIIYCK-OAHLLOKOSA-N 1 1 316.788 3.697 50 30 DHEAMO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C)c2)cc1 ZINC000008037622 563452079 /nfs/dbraw/zinc/45/20/79/563452079.db2.gz XMZBMKWPUNDPIF-UHFFFAOYSA-N 1 1 324.424 3.630 50 30 DHEAMO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2)cc1 ZINC000008037622 563452082 /nfs/dbraw/zinc/45/20/82/563452082.db2.gz XMZBMKWPUNDPIF-UHFFFAOYSA-N 1 1 324.424 3.630 50 30 DHEAMO C=C(C)C[N@@H+](CC)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000102395955 563659394 /nfs/dbraw/zinc/65/93/94/563659394.db2.gz QBPPQPAPTNEVPV-PBHICJAKSA-N 1 1 311.853 3.677 50 30 DHEAMO C=CCC1(CC=C)CCCC[N@@H+]1Cc1cnc(NCC)nc1 ZINC000055226743 563816546 /nfs/dbraw/zinc/81/65/46/563816546.db2.gz QOXRMNUVZWOQOB-UHFFFAOYSA-N 1 1 300.450 3.785 50 30 DHEAMO C[C@H]1CCCC[N@H+]1CC#CC(O)(c1ccccc1)c1ccccc1 ZINC000001234567 563841150 /nfs/dbraw/zinc/84/11/50/563841150.db2.gz YRJGDOGTIIGTTP-IBGZPJMESA-N 1 1 319.448 3.800 50 30 DHEAMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000075106338 563859733 /nfs/dbraw/zinc/85/97/33/563859733.db2.gz JTXDBKITZUIAQQ-MRXNPFEDSA-N 1 1 310.422 3.857 50 30 DHEAMO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000075605025 563884787 /nfs/dbraw/zinc/88/47/87/563884787.db2.gz LKKCEXUTLNIJOL-HNNXBMFYSA-N 1 1 314.820 3.591 50 30 DHEAMO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000075605025 563884788 /nfs/dbraw/zinc/88/47/88/563884788.db2.gz LKKCEXUTLNIJOL-HNNXBMFYSA-N 1 1 314.820 3.591 50 30 DHEAMO CCn1cc(C[N@@H+](C)Cc2cc3cc(F)ccc3[nH]2)cc1C#N ZINC000670448898 563944404 /nfs/dbraw/zinc/94/44/04/563944404.db2.gz NWSMQSSUBYPKET-UHFFFAOYSA-N 1 1 310.376 3.632 50 30 DHEAMO Cn1cc(C[N@H+]2CCCC[C@@H]2CCc2cccs2)cc1C#N ZINC000077537968 568421969 /nfs/dbraw/zinc/42/19/69/568421969.db2.gz UTPMMMGWOKKVKA-MRXNPFEDSA-N 1 1 313.470 3.946 50 30 DHEAMO N#CCCCOc1cccc(C[NH2+]Cc2nc3ccccc3[nH]2)c1 ZINC000252537524 1037552446 /nfs/dbraw/zinc/55/24/46/1037552446.db2.gz LNCASBVRMSZUBU-UHFFFAOYSA-N 1 1 320.396 3.535 50 30 DHEAMO Cc1c(C[N@H+]2CCC[C@@H](c3ccccc3C)C2)cc(C#N)n1C ZINC000072425466 191159333 /nfs/dbraw/zinc/15/93/33/191159333.db2.gz CAKQKVVJTZPUDO-QGZVFWFLSA-N 1 1 307.441 3.893 50 30 DHEAMO COc1cc2c(cc1OC)[C@H](C)[N@H+](CC#Cc1ccccc1)CC2 ZINC000020411676 182214778 /nfs/dbraw/zinc/21/47/78/182214778.db2.gz DUZNLIIAVPLSOF-INIZCTEOSA-N 1 1 321.420 3.675 50 30 biogenic DHEAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC#Cc1ccccc1)CC2 ZINC000020411676 182214779 /nfs/dbraw/zinc/21/47/79/182214779.db2.gz DUZNLIIAVPLSOF-INIZCTEOSA-N 1 1 321.420 3.675 50 30 biogenic DHEAMO C[N@@H+](CCOc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000040004955 183027503 /nfs/dbraw/zinc/02/75/03/183027503.db2.gz NIYXEORRBPUOQC-UHFFFAOYSA-N 1 1 300.789 3.722 50 30 DHEAMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(Br)c1 ZINC000028920335 257269604 /nfs/dbraw/zinc/26/96/04/257269604.db2.gz QNWSSJAILWFXQY-NWDGAFQWSA-N 1 1 306.207 3.543 50 30 DHEAMO C=CCn1ncc(C[N@@H+](C)CCOc2ccc(C)cc2C)c1C ZINC000055341512 519291579 /nfs/dbraw/zinc/29/15/79/519291579.db2.gz GTANJMZQDYITHB-UHFFFAOYSA-N 1 1 313.445 3.505 50 30 DHEAMO C[N@H+]1CCCC[C@]1(C)C#CC(O)(c1ccccc1)c1ccccc1 ZINC000001217261 563841417 /nfs/dbraw/zinc/84/14/17/563841417.db2.gz RAKUXMKMNIXLSC-OAQYLSRUSA-N 1 1 319.448 3.800 50 30 DHEAMO N#CCC[C@@H](C#N)C[NH+]1CCC(Nc2ccccc2Cl)CC1 ZINC000195544400 563919611 /nfs/dbraw/zinc/91/96/11/563919611.db2.gz HKEVNEZASIKAJJ-AWEZNQCLSA-N 1 1 316.836 3.660 50 30 DHEAMO CCCCCCCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000097941796 563921008 /nfs/dbraw/zinc/92/10/08/563921008.db2.gz AQDQVRREGPXDRK-UHFFFAOYSA-N 1 1 302.462 3.691 50 30 DHEAMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@H](C)C#N ZINC000095369298 563931169 /nfs/dbraw/zinc/93/11/69/563931169.db2.gz QVEXEEHBEQVFLK-MRXNPFEDSA-N 1 1 321.424 3.920 50 30 DHEAMO CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@H](C)C#N ZINC000095369298 563931171 /nfs/dbraw/zinc/93/11/71/563931171.db2.gz QVEXEEHBEQVFLK-MRXNPFEDSA-N 1 1 321.424 3.920 50 30 DHEAMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000066484162 563946648 /nfs/dbraw/zinc/94/66/48/563946648.db2.gz LZTUMJFRIOUXTJ-HOCLYGCPSA-N 1 1 301.821 3.790 50 30 DHEAMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000066484162 563946649 /nfs/dbraw/zinc/94/66/49/563946649.db2.gz LZTUMJFRIOUXTJ-HOCLYGCPSA-N 1 1 301.821 3.790 50 30 DHEAMO CC(C)(C#N)c1ccccc1C[N@@H+](CCO)Cc1ccsc1 ZINC000089620860 568420266 /nfs/dbraw/zinc/42/02/66/568420266.db2.gz UXIUKUOMRNXFMW-UHFFFAOYSA-N 1 1 314.454 3.544 50 30 DHEAMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nccn3CC3CC3)C2)cc1 ZINC000082107852 192356606 /nfs/dbraw/zinc/35/66/06/192356606.db2.gz PNOMBVQOOMRNDU-LJQANCHMSA-N 1 1 320.440 3.544 50 30 DHEAMO O=[N+]([O-])c1cccc(NC=CC=[NH+]c2cccc([N+](=O)[O-])c2)c1 ZINC000005338067 181230729 /nfs/dbraw/zinc/23/07/29/181230729.db2.gz FCIJWZUFJHJWDE-KOSHFZKLSA-N 1 1 312.285 3.831 50 30 DHEAMO CC(/C=N/N1CC[NH+](Cc2ccccc2)CC1)=C/c1ccccc1 ZINC000020171941 182194554 /nfs/dbraw/zinc/19/45/54/182194554.db2.gz HBIXGQWYCSADMV-MLKPBCHCSA-N 1 1 319.452 3.894 50 30 DHEAMO C[NH+](C)C=CC(=CC(=O)C(F)(F)F)Nc1ccc(Cl)cc1 ZINC000100255918 257272629 /nfs/dbraw/zinc/27/26/29/257272629.db2.gz UZSNOSYPUBGWDN-ANKZSMJWSA-N 1 1 318.726 3.843 50 30 DHEAMO S=C(N/[NH+]=C/c1ccc(N2CCCC2)cc1)Nc1ccccc1 ZINC000000563962 563266651 /nfs/dbraw/zinc/26/66/51/563266651.db2.gz DOKZZBWHMBPWGW-XMHGGMMESA-N 1 1 324.453 3.607 50 30 DHEAMO [NH2+]=C(Cc1csc2ccccc12)NOC(=O)c1ccccc1 ZINC000008552969 563347748 /nfs/dbraw/zinc/34/77/48/563347748.db2.gz FQTZJZPCOAFEEH-UHFFFAOYSA-N 1 1 310.378 3.573 50 30 DHEAMO CCCc1cc(-n2cc[nH+]c2C)n2c3ccccc3nc2c1C#N ZINC000000085680 563525552 /nfs/dbraw/zinc/52/55/52/563525552.db2.gz ZXPIKUBYJDLTBV-UHFFFAOYSA-N 1 1 315.380 3.806 50 30 DHEAMO CC(C)CC[C@@](C)(O)C#CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000248242673 563602852 /nfs/dbraw/zinc/60/28/52/563602852.db2.gz FPZQVDCMRGOONA-PMACEKPBSA-N 1 1 314.473 3.799 50 30 DHEAMO CC(C)CC[C@@](C)(O)C#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000248242673 563602854 /nfs/dbraw/zinc/60/28/54/563602854.db2.gz FPZQVDCMRGOONA-PMACEKPBSA-N 1 1 314.473 3.799 50 30 DHEAMO COc1ccc(OC)c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000027602591 563926015 /nfs/dbraw/zinc/92/60/15/563926015.db2.gz OCJZTWASBKWWSO-UHFFFAOYSA-N 1 1 322.408 3.740 50 30 DHEAMO COc1ccc(OC)c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000027602591 563926016 /nfs/dbraw/zinc/92/60/16/563926016.db2.gz OCJZTWASBKWWSO-UHFFFAOYSA-N 1 1 322.408 3.740 50 30 DHEAMO C=C(C)C[N@H+](CC)[C@@H]1CCC(=O)N(Cc2ccccc2F)CC1 ZINC000012150241 1019919229 /nfs/dbraw/zinc/91/92/29/1019919229.db2.gz BLBXSRLDCJOLLY-QGZVFWFLSA-N 1 1 318.436 3.605 50 30 DHEAMO [NH2+]=C(NOC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005051266 181196774 /nfs/dbraw/zinc/19/67/74/181196774.db2.gz ZZFRVSWKABBLPL-UHFFFAOYSA-N 1 1 324.167 3.862 50 30 DHEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccccc3C)CC2)c(C)c1 ZINC000019834000 182155143 /nfs/dbraw/zinc/15/51/43/182155143.db2.gz SBHDDCJNQVVHJW-PXLXIMEGSA-N 1 1 321.468 3.764 50 30 DHEAMO CCSc1nc2c(c(-c3cccs3)c1C#N)C[N@@H+](C)CC2 ZINC000019889283 182160821 /nfs/dbraw/zinc/16/08/21/182160821.db2.gz QFJBVRDZXJNHFR-UHFFFAOYSA-N 1 1 315.467 3.782 50 30 DHEAMO CC(C)C(O)(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)C(C)C ZINC000061997765 184200395 /nfs/dbraw/zinc/20/03/95/184200395.db2.gz NFNMUULOOQMVQX-LJQANCHMSA-N 1 1 314.473 3.655 50 30 biogenic DHEAMO CC(C)C(O)(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)C(C)C ZINC000061997765 184200396 /nfs/dbraw/zinc/20/03/96/184200396.db2.gz NFNMUULOOQMVQX-LJQANCHMSA-N 1 1 314.473 3.655 50 30 biogenic DHEAMO CCOc1ccc(C[NH+]2CCC(C#N)CC2)c(OCC)c1C ZINC000215481252 333386919 /nfs/dbraw/zinc/38/69/19/333386919.db2.gz KVVPKFCEACKRMU-UHFFFAOYSA-N 1 1 302.418 3.528 50 30 DHEAMO Cc1ccc(C[NH+]2CCN(/N=C\C=C\c3ccccc3)CC2)cc1 ZINC000019773041 524455747 /nfs/dbraw/zinc/45/57/47/524455747.db2.gz XXFYHFJWJOOBED-IPVGOPCVSA-N 1 1 319.452 3.812 50 30 DHEAMO [NH2+]=C(NOC(=O)c1ccccc1-c1ccccc1)c1ccccc1 ZINC000005013670 563329230 /nfs/dbraw/zinc/32/92/30/563329230.db2.gz UQIWBFKLVRHISJ-UHFFFAOYSA-N 1 1 316.360 3.831 50 30 DHEAMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000084651517 563829153 /nfs/dbraw/zinc/82/91/53/563829153.db2.gz UNIWKXYEIBSUPQ-GUYCJALGSA-N 1 1 322.412 3.759 50 30 DHEAMO C[C@@H]1CCCC[N@H+]1CC#CC(O)(c1ccccc1)c1ccccc1 ZINC000001234568 563841061 /nfs/dbraw/zinc/84/10/61/563841061.db2.gz YRJGDOGTIIGTTP-LJQANCHMSA-N 1 1 319.448 3.800 50 30 DHEAMO Cc1cc(Br)ccc1C[N@H+](C)C[C@@H](C#N)CCC#N ZINC000390835692 563864748 /nfs/dbraw/zinc/86/47/48/563864748.db2.gz VDYXIEMJQKEVIO-CYBMUJFWSA-N 1 1 320.234 3.633 50 30 DHEAMO Cc1cc(Br)ccc1C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000390835692 563864751 /nfs/dbraw/zinc/86/47/51/563864751.db2.gz VDYXIEMJQKEVIO-CYBMUJFWSA-N 1 1 320.234 3.633 50 30 DHEAMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@@H](C)C#N ZINC000095369297 563931126 /nfs/dbraw/zinc/93/11/26/563931126.db2.gz QVEXEEHBEQVFLK-INIZCTEOSA-N 1 1 321.424 3.920 50 30 DHEAMO CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@@H](C)C#N ZINC000095369297 563931127 /nfs/dbraw/zinc/93/11/27/563931127.db2.gz QVEXEEHBEQVFLK-INIZCTEOSA-N 1 1 321.424 3.920 50 30 DHEAMO CC(C)n1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000095362912 563931221 /nfs/dbraw/zinc/93/12/21/563931221.db2.gz YNVSAWHDCNIGIP-GOSISDBHSA-N 1 1 308.429 3.715 50 30 DHEAMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000096405770 563936665 /nfs/dbraw/zinc/93/66/65/563936665.db2.gz BMSCHZIANWWRIX-HNNXBMFYSA-N 1 1 306.413 3.791 50 30 DHEAMO Cc1ccc2c(c1)c1c(n2C#Cc2ccccc2)CC[N@@H+](C)C1 ZINC000075567491 568418724 /nfs/dbraw/zinc/41/87/24/568418724.db2.gz NCRLGWIBMFMWHM-UHFFFAOYSA-N 1 1 300.405 3.795 50 30 DHEAMO Cc1ccc2c(c1)c1c(n2C#Cc2ccccc2)CC[N@H+](C)C1 ZINC000075567491 568418726 /nfs/dbraw/zinc/41/87/26/568418726.db2.gz NCRLGWIBMFMWHM-UHFFFAOYSA-N 1 1 300.405 3.795 50 30 DHEAMO OCC#Cc1csc(C[N@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000828644626 1020838451 /nfs/dbraw/zinc/83/84/51/1020838451.db2.gz ODCUUVHOSIOWSG-KRWDZBQOSA-N 1 1 315.438 3.802 50 30 DHEAMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000095395983 185352612 /nfs/dbraw/zinc/35/26/12/185352612.db2.gz VKXNZXLYVBFOAO-ZDUSSCGKSA-N 1 1 303.356 3.588 50 30 DHEAMO Cc1ccc(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)c(Cl)c1 ZINC000004755325 181149231 /nfs/dbraw/zinc/14/92/31/181149231.db2.gz ZAYZHEBVIHHMOP-UHFFFAOYSA-N 1 1 323.179 3.779 50 30 DHEAMO C=CC[C@@]1(CO)CCC[N@@H+](Cc2cc(C3CCCCC3)no2)C1 ZINC000091416956 193052716 /nfs/dbraw/zinc/05/27/16/193052716.db2.gz WJWKHZJHBNARQS-LJQANCHMSA-N 1 1 318.461 3.873 50 30 DHEAMO C=C(C)C[N@H+](CC)Cc1cc(Br)cc(OC)c1O ZINC000023281667 182355882 /nfs/dbraw/zinc/35/58/82/182355882.db2.gz PAIJODIZQFRXEE-UHFFFAOYSA-N 1 1 314.223 3.561 50 30 DHEAMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(Br)c1 ZINC000028920334 257269576 /nfs/dbraw/zinc/26/95/76/257269576.db2.gz QNWSSJAILWFXQY-VXGBXAGGSA-N 1 1 306.207 3.543 50 30 DHEAMO CC(C)c1ccc(-n2cc(C[NH+]3CCC(C#N)CC3)cn2)cc1 ZINC000215937800 333387536 /nfs/dbraw/zinc/38/75/36/333387536.db2.gz VHOJBYDKQAFDDV-UHFFFAOYSA-N 1 1 308.429 3.731 50 30 DHEAMO C=CC[N@H+](Cc1ccco1)Cc1ccc2c(C)cc(=O)oc2c1 ZINC000055308194 518787944 /nfs/dbraw/zinc/78/79/44/518787944.db2.gz IBLDQLDECQWNFV-UHFFFAOYSA-N 1 1 309.365 3.883 50 30 DHEAMO C=CC[N@@H+](Cc1ccco1)Cc1ccc2c(C)cc(=O)oc2c1 ZINC000055308194 518787950 /nfs/dbraw/zinc/78/79/50/518787950.db2.gz IBLDQLDECQWNFV-UHFFFAOYSA-N 1 1 309.365 3.883 50 30 DHEAMO Cc1ccc(NC(C=C[NH+](C)C)=CC(=O)C(F)(F)F)c(C)c1 ZINC000084921454 563520549 /nfs/dbraw/zinc/52/05/49/563520549.db2.gz ZAPDCEJQVOEBAF-AWGJLQHSSA-N 1 1 312.335 3.806 50 30 DHEAMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)CO1 ZINC000034892238 563795490 /nfs/dbraw/zinc/79/54/90/563795490.db2.gz LSLJPLIQOKNCNR-HZPDHXFCSA-N 1 1 306.409 3.834 50 30 DHEAMO C=CCN(Cc1ccccc1C)C(=O)CC[C@@H]1CCC[N@H+](C)C1 ZINC000055196557 563816632 /nfs/dbraw/zinc/81/66/32/563816632.db2.gz BYYGONRLGBJDND-SFHVURJKSA-N 1 1 314.473 3.632 50 30 DHEAMO C=CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000015080763 563839708 /nfs/dbraw/zinc/83/97/08/563839708.db2.gz XUADOJIZZSZGRO-LJQANCHMSA-N 1 1 314.473 3.542 50 30 DHEAMO Cc1ccc(C[NH+]2CCN(N=Cc3ccccc3C)CC2)c(C)c1 ZINC000245238513 563952239 /nfs/dbraw/zinc/95/22/39/563952239.db2.gz SBHDDCJNQVVHJW-UHFFFAOYSA-N 1 1 321.468 3.764 50 30 DHEAMO