smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CNS(=O)(=O)C[C@H]1CCOC1)C[NH+]1CCOCC1 ZINC000160376771 378627353 /nfs/dbraw/zinc/62/73/53/378627353.db2.gz LLIJZEWIJYDWBR-OLZOCXBDSA-N 1 2 306.428 -0.089 20 70 DBIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)N1CCNC(=O)C1 ZINC000161208517 526775695 /nfs/dbraw/zinc/77/56/95/526775695.db2.gz XHZQFNOXKURYAF-UHFFFAOYSA-N 1 2 317.393 -0.842 20 70 DBIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)Cc3ccccc3)C[C@@H]21 ZINC000159732063 377225122 /nfs/dbraw/zinc/22/51/22/377225122.db2.gz OILGOIBVGHGSPI-LSDHHAIUSA-N 1 2 317.389 -0.113 20 70 DBIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)Cc3ccccc3)C[C@@H]21 ZINC000159732063 377225130 /nfs/dbraw/zinc/22/51/30/377225130.db2.gz OILGOIBVGHGSPI-LSDHHAIUSA-N 1 2 317.389 -0.113 20 70 DBIDLO COC[C@@H](O)CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000160812393 522388396 /nfs/dbraw/zinc/38/83/96/522388396.db2.gz GQQOWBLVBIEUGQ-AWEZNQCLSA-N 1 2 322.409 -0.283 20 70 DBIDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000160204526 378293672 /nfs/dbraw/zinc/29/36/72/378293672.db2.gz SEYBKJPKOYVXKK-ZDUSSCGKSA-N 1 2 324.425 -0.475 20 70 DBIDLO Cc1nc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cn1C ZINC000160361718 378294654 /nfs/dbraw/zinc/29/46/54/378294654.db2.gz PZSMQITYRRPSCA-LLVKDONJSA-N 1 2 316.427 -0.025 20 70 DBIDLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160783683 544799618 /nfs/dbraw/zinc/79/96/18/544799618.db2.gz PYPAJSLMKNWVER-RTXFEEFZSA-N 1 2 318.439 -0.277 20 70 DBIDLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160783683 544799624 /nfs/dbraw/zinc/79/96/24/544799624.db2.gz PYPAJSLMKNWVER-RTXFEEFZSA-N 1 2 318.439 -0.277 20 70 DBIDLO CS(=O)(=O)CCCC[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000161438591 544845196 /nfs/dbraw/zinc/84/51/96/544845196.db2.gz ZRSFSZSUWDWDGY-NSHDSACASA-N 1 2 312.457 -0.175 20 70 DBIDLO CS(=O)(=O)CCCC[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000161438591 544845199 /nfs/dbraw/zinc/84/51/99/544845199.db2.gz ZRSFSZSUWDWDGY-NSHDSACASA-N 1 2 312.457 -0.175 20 70 DBIDLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)N1CCNC(=O)C1 ZINC000161249701 337576103 /nfs/dbraw/zinc/57/61/03/337576103.db2.gz VEVWPOGKNLEZFD-LBPRGKRZSA-N 1 2 323.315 -0.420 20 70 DBIDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159799041 375163954 /nfs/dbraw/zinc/16/39/54/375163954.db2.gz AVCQZFDYDREKLZ-XQHKEYJVSA-N 1 2 318.439 -0.229 20 70 DBIDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159799041 375163957 /nfs/dbraw/zinc/16/39/57/375163957.db2.gz AVCQZFDYDREKLZ-XQHKEYJVSA-N 1 2 318.439 -0.229 20 70 DBIDLO O=C(c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159915222 375179151 /nfs/dbraw/zinc/17/91/51/375179151.db2.gz CIKGKNKVTOOXDM-AOOOYVTPSA-N 1 2 315.333 -0.422 20 70 DBIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccccc3)C[C@@H]21 ZINC000159703446 375322438 /nfs/dbraw/zinc/32/24/38/375322438.db2.gz SKQSKWDRPFWNBR-KBPBESRZSA-N 1 2 303.362 -0.042 20 70 DBIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccccc3)C[C@@H]21 ZINC000159703446 375322448 /nfs/dbraw/zinc/32/24/48/375322448.db2.gz SKQSKWDRPFWNBR-KBPBESRZSA-N 1 2 303.362 -0.042 20 70 DBIDLO CN(CC[NH+]1CCOCC1)C(=O)CNC(=O)c1cccnc1 ZINC000161250990 522836472 /nfs/dbraw/zinc/83/64/72/522836472.db2.gz ADOLJOJICQUMLE-UHFFFAOYSA-N 1 2 306.366 -0.398 20 70 DBIDLO C[C@@H](CNS(=O)(=O)C[C@H]1CCOC1)C[NH+]1CCOCC1 ZINC000160376635 378627911 /nfs/dbraw/zinc/62/79/11/378627911.db2.gz LLIJZEWIJYDWBR-STQMWFEESA-N 1 2 306.428 -0.089 20 70 DBIDLO COC[C@H](O)CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000160812261 522773908 /nfs/dbraw/zinc/77/39/08/522773908.db2.gz GQQOWBLVBIEUGQ-CQSZACIVSA-N 1 2 322.409 -0.283 20 70 DBIDLO C[C@H](CNS(=O)(=O)c1cnn(C)c1)C[NH+]1CCOCC1 ZINC000160395209 524491438 /nfs/dbraw/zinc/49/14/38/524491438.db2.gz NUFMLEBPCRHGDU-LLVKDONJSA-N 1 2 302.400 -0.333 20 70 DBIDLO C[C@@H](CNS(=O)(=O)c1cnn(C)c1)C[NH+]1CCOCC1 ZINC000160395074 524747316 /nfs/dbraw/zinc/74/73/16/524747316.db2.gz NUFMLEBPCRHGDU-NSHDSACASA-N 1 2 302.400 -0.333 20 70 DBIDLO CN(C)C(=O)c1cc(NC(=O)CN2CC[NH2+]CC2=O)ccc1F ZINC000160360591 375378288 /nfs/dbraw/zinc/37/82/88/375378288.db2.gz GXCCWZOEQWIULZ-UHFFFAOYSA-N 1 2 322.340 -0.102 20 70 DBIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccccc3)C[C@@H]21 ZINC000159703584 377221026 /nfs/dbraw/zinc/22/10/26/377221026.db2.gz SKQSKWDRPFWNBR-UONOGXRCSA-N 1 2 303.362 -0.042 20 70 DBIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccccc3)C[C@@H]21 ZINC000159703584 377221032 /nfs/dbraw/zinc/22/10/32/377221032.db2.gz SKQSKWDRPFWNBR-UONOGXRCSA-N 1 2 303.362 -0.042 20 70 DBIDLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160783911 544799827 /nfs/dbraw/zinc/79/98/27/544799827.db2.gz PYPAJSLMKNWVER-WXHSDQCUSA-N 1 2 318.439 -0.277 20 70 DBIDLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160783911 544799832 /nfs/dbraw/zinc/79/98/32/544799832.db2.gz PYPAJSLMKNWVER-WXHSDQCUSA-N 1 2 318.439 -0.277 20 70 DBIDLO Nc1nc(N)nc(CN2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000161205178 337571819 /nfs/dbraw/zinc/57/18/19/337571819.db2.gz PCVQORFYRQBEBL-UHFFFAOYSA-N 1 2 300.370 -0.251 20 70 DBIDLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCOCC1 ZINC000159371238 527244025 /nfs/dbraw/zinc/24/40/25/527244025.db2.gz FYFXSFGZPWIUIJ-LBPRGKRZSA-N 1 2 312.395 -0.173 20 70 DBIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)NCc3ccco3)C[C@@H]21 ZINC000159727965 375157626 /nfs/dbraw/zinc/15/76/26/375157626.db2.gz CFIMJEVWVFSYQB-QWHCGFSZSA-N 1 2 322.365 -0.380 20 70 DBIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)NCc3ccco3)C[C@@H]21 ZINC000159727965 375157631 /nfs/dbraw/zinc/15/76/31/375157631.db2.gz CFIMJEVWVFSYQB-QWHCGFSZSA-N 1 2 322.365 -0.380 20 70 DBIDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000160204379 378293395 /nfs/dbraw/zinc/29/33/95/378293395.db2.gz SEYBKJPKOYVXKK-CYBMUJFWSA-N 1 2 324.425 -0.475 20 70 DBIDLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)N1CCNC(=O)C1 ZINC000161249796 380118836 /nfs/dbraw/zinc/11/88/36/380118836.db2.gz VEVWPOGKNLEZFD-GFCCVEGCSA-N 1 2 323.315 -0.420 20 70 DBIDLO COCCCS(=O)(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC000160130744 523426862 /nfs/dbraw/zinc/42/68/62/523426862.db2.gz GGEZHDQXMTWWMK-UHFFFAOYSA-N 1 2 316.427 -0.096 20 70 DBIDLO Cn1cc([C@@]2(C)CN(C[C@H](O)C[NH+]3CCOCC3)CCO2)cn1 ZINC000159402226 376615457 /nfs/dbraw/zinc/61/54/57/376615457.db2.gz KJHBNLPBGKODOP-HZPDHXFCSA-N 1 2 324.425 -0.339 20 70 DBIDLO Cn1cc([C@@]2(C)C[N@H+](C[C@H](O)CN3CCOCC3)CCO2)cn1 ZINC000159402226 376615462 /nfs/dbraw/zinc/61/54/62/376615462.db2.gz KJHBNLPBGKODOP-HZPDHXFCSA-N 1 2 324.425 -0.339 20 70 DBIDLO Cn1cc([C@@]2(C)C[N@@H+](C[C@H](O)CN3CCOCC3)CCO2)cn1 ZINC000159402226 376615469 /nfs/dbraw/zinc/61/54/69/376615469.db2.gz KJHBNLPBGKODOP-HZPDHXFCSA-N 1 2 324.425 -0.339 20 70 DBIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)Cc3ccccc3)C[C@@H]21 ZINC000159731917 375325455 /nfs/dbraw/zinc/32/54/55/375325455.db2.gz OILGOIBVGHGSPI-GJZGRUSLSA-N 1 2 317.389 -0.113 20 70 DBIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)Cc3ccccc3)C[C@@H]21 ZINC000159731917 375325461 /nfs/dbraw/zinc/32/54/61/375325461.db2.gz OILGOIBVGHGSPI-GJZGRUSLSA-N 1 2 317.389 -0.113 20 70 DBIDLO O=C(CN1CC[NH2+]CC1=O)Nc1cnn(CC(F)(F)F)c1 ZINC000159703443 534538998 /nfs/dbraw/zinc/53/89/98/534538998.db2.gz AKYNLFOVSJTTNP-UHFFFAOYSA-N 1 2 305.260 -0.184 20 70 DBIDLO COC(=O)Cn1cc(CC[N@@H+]2CCNC(=O)[C@@H]2C(C)C)nn1 ZINC000160115455 523393677 /nfs/dbraw/zinc/39/36/77/523393677.db2.gz XIMGKFVGTMXFFJ-ZDUSSCGKSA-N 1 2 309.370 -0.550 20 70 DBIDLO COC(=O)Cn1cc(CC[N@H+]2CCNC(=O)[C@@H]2C(C)C)nn1 ZINC000160115455 523393686 /nfs/dbraw/zinc/39/36/86/523393686.db2.gz XIMGKFVGTMXFFJ-ZDUSSCGKSA-N 1 2 309.370 -0.550 20 70 DBIDLO Cn1cnnc1CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000160724549 392855850 /nfs/dbraw/zinc/85/58/50/392855850.db2.gz ATIFARJMHIKECL-UHFFFAOYSA-N 1 2 306.414 -0.055 20 70 DBIDLO Cc1noc([C@H]2COCCN2C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000161028217 377215050 /nfs/dbraw/zinc/21/50/50/377215050.db2.gz KGSLZRCTBLLFBV-CHWSQXEVSA-N 1 2 312.370 -0.556 20 70 DBIDLO C[C@@H](CNS(=O)(=O)C[C@@H]1CCOC1)C[NH+]1CCOCC1 ZINC000160376380 378627202 /nfs/dbraw/zinc/62/72/02/378627202.db2.gz LLIJZEWIJYDWBR-QWHCGFSZSA-N 1 2 306.428 -0.089 20 70 DBIDLO Cc1noc([C@@H]2COCCN2C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000161028082 333781325 /nfs/dbraw/zinc/78/13/25/333781325.db2.gz KGSLZRCTBLLFBV-OLZOCXBDSA-N 1 2 312.370 -0.556 20 70 DBIDLO COC(=O)Cn1cc(CC[N@@H+]2CCNC(=O)[C@H]2C(C)C)nn1 ZINC000160115352 523392335 /nfs/dbraw/zinc/39/23/35/523392335.db2.gz XIMGKFVGTMXFFJ-CYBMUJFWSA-N 1 2 309.370 -0.550 20 70 DBIDLO COC(=O)Cn1cc(CC[N@H+]2CCNC(=O)[C@H]2C(C)C)nn1 ZINC000160115352 523392348 /nfs/dbraw/zinc/39/23/48/523392348.db2.gz XIMGKFVGTMXFFJ-CYBMUJFWSA-N 1 2 309.370 -0.550 20 70 DBIDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCO ZINC000159427554 526379349 /nfs/dbraw/zinc/37/93/49/526379349.db2.gz NAMUBHYYASGJFO-UHFFFAOYSA-N 1 2 306.366 -0.381 20 70 DBIDLO CCCn1c(N)c(C(=O)C[N@@H+]2CCCC[C@@H]2CO)c(=O)[nH]c1=O ZINC000159921556 375181204 /nfs/dbraw/zinc/18/12/04/375181204.db2.gz WZBZHLSTBGFDSR-SNVBAGLBSA-N 1 2 324.381 -0.442 20 70 DBIDLO CCCn1c(N)c(C(=O)C[N@H+]2CCCC[C@@H]2CO)c(=O)[nH]c1=O ZINC000159921556 375181211 /nfs/dbraw/zinc/18/12/11/375181211.db2.gz WZBZHLSTBGFDSR-SNVBAGLBSA-N 1 2 324.381 -0.442 20 70 DBIDLO Cn1cc([C@]2(C)CN(C[C@H](O)C[NH+]3CCOCC3)CCO2)cn1 ZINC000159402353 376615305 /nfs/dbraw/zinc/61/53/05/376615305.db2.gz KJHBNLPBGKODOP-CVEARBPZSA-N 1 2 324.425 -0.339 20 70 DBIDLO Cn1cc([C@]2(C)C[N@H+](C[C@H](O)CN3CCOCC3)CCO2)cn1 ZINC000159402353 376615317 /nfs/dbraw/zinc/61/53/17/376615317.db2.gz KJHBNLPBGKODOP-CVEARBPZSA-N 1 2 324.425 -0.339 20 70 DBIDLO Cn1cc([C@]2(C)C[N@@H+](C[C@H](O)CN3CCOCC3)CCO2)cn1 ZINC000159402353 376615325 /nfs/dbraw/zinc/61/53/25/376615325.db2.gz KJHBNLPBGKODOP-CVEARBPZSA-N 1 2 324.425 -0.339 20 70 DBIDLO CCn1cc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000160830633 378296252 /nfs/dbraw/zinc/29/62/52/378296252.db2.gz VJCHWAZYKOPPEA-UHFFFAOYSA-N 1 2 316.427 -0.020 20 70 DBIDLO CCn1cc[nH+]c1CN1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000160794866 379905646 /nfs/dbraw/zinc/90/56/46/379905646.db2.gz RTKUSCRYTHZHCW-UHFFFAOYSA-N 1 2 305.382 -0.174 20 70 DBIDLO O=C(CCCn1cccc1)NCC(=O)NCC[NH+]1CCOCC1 ZINC000159493340 332190337 /nfs/dbraw/zinc/19/03/37/332190337.db2.gz ORMNMTLWUXTNHY-UHFFFAOYSA-N 1 2 322.409 -0.167 20 70 DBIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)N1CCNC1=O ZINC000161194281 526776543 /nfs/dbraw/zinc/77/65/43/526776543.db2.gz OIQCWBOPZXUXIC-UHFFFAOYSA-N 1 2 303.366 -0.249 20 70 DBIDLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCOCC1 ZINC000159371382 527238339 /nfs/dbraw/zinc/23/83/39/527238339.db2.gz FYFXSFGZPWIUIJ-GFCCVEGCSA-N 1 2 312.395 -0.173 20 70 DBIDLO CNC(=O)c1cccc(CCNC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000160371231 529945830 /nfs/dbraw/zinc/94/58/30/529945830.db2.gz KWNGPCWCUPFJFO-UHFFFAOYSA-N 1 2 318.377 -0.863 20 70 DBIDLO Cn1cc[nH+]c1CN1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000160799809 238337931 /nfs/dbraw/zinc/33/79/31/238337931.db2.gz UFFHKDRKUASIPV-UHFFFAOYSA-N 1 2 305.382 -0.313 20 70 DBIDLO C[C@H](CNS(=O)(=O)C[C@@H]1CCOC1)C[NH+]1CCOCC1 ZINC000160376506 378627553 /nfs/dbraw/zinc/62/75/53/378627553.db2.gz LLIJZEWIJYDWBR-CHWSQXEVSA-N 1 2 306.428 -0.089 20 70 DBIDLO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160864852 544801324 /nfs/dbraw/zinc/80/13/24/544801324.db2.gz IEFHFADYYGLZPF-USWWRNFRSA-N 1 2 304.412 -0.619 20 70 DBIDLO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160864852 544801327 /nfs/dbraw/zinc/80/13/27/544801327.db2.gz IEFHFADYYGLZPF-USWWRNFRSA-N 1 2 304.412 -0.619 20 70 DBIDLO COC(=O)CCNC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161214199 523094095 /nfs/dbraw/zinc/09/40/95/523094095.db2.gz JNHHWYXRHUVXNQ-UHFFFAOYSA-N 1 2 320.393 -0.122 20 70 DBIDLO Cc1nc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cn1C ZINC000160361836 378294842 /nfs/dbraw/zinc/29/48/42/378294842.db2.gz PZSMQITYRRPSCA-NSHDSACASA-N 1 2 316.427 -0.025 20 70 DBIDLO C[C@H](c1ccccc1)N(CC(N)=O)C(=O)CN1CC[NH2+]CC1=O ZINC000161478846 392590139 /nfs/dbraw/zinc/59/01/39/392590139.db2.gz INZPHTJZYQVZGX-GFCCVEGCSA-N 1 2 318.377 -0.507 20 70 DBIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)NCc3ccco3)C[C@@H]21 ZINC000159727825 544708796 /nfs/dbraw/zinc/70/87/96/544708796.db2.gz CFIMJEVWVFSYQB-STQMWFEESA-N 1 2 322.365 -0.380 20 70 DBIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)NCc3ccco3)C[C@@H]21 ZINC000159727825 544708800 /nfs/dbraw/zinc/70/88/00/544708800.db2.gz CFIMJEVWVFSYQB-STQMWFEESA-N 1 2 322.365 -0.380 20 70 DBIDLO Cn1c2[nH]c(C[N@@H+]3CCCSCC3)nc2c(=O)n(C)c1=O ZINC000161486604 376415585 /nfs/dbraw/zinc/41/55/85/376415585.db2.gz HHXDUOFUCXQLCX-UHFFFAOYSA-N 1 2 309.395 -0.101 20 70 DBIDLO Cn1c2[nH]c(C[N@H+]3CCCSCC3)nc2c(=O)n(C)c1=O ZINC000161486604 376415592 /nfs/dbraw/zinc/41/55/92/376415592.db2.gz HHXDUOFUCXQLCX-UHFFFAOYSA-N 1 2 309.395 -0.101 20 70 DBIDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160864569 544802200 /nfs/dbraw/zinc/80/22/00/544802200.db2.gz IEFHFADYYGLZPF-JLLWLGSASA-N 1 2 304.412 -0.619 20 70 DBIDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160864569 544802205 /nfs/dbraw/zinc/80/22/05/544802205.db2.gz IEFHFADYYGLZPF-JLLWLGSASA-N 1 2 304.412 -0.619 20 70 DBIDLO CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000161438706 544845184 /nfs/dbraw/zinc/84/51/84/544845184.db2.gz ZRSFSZSUWDWDGY-LLVKDONJSA-N 1 2 312.457 -0.175 20 70 DBIDLO CS(=O)(=O)CCCC[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000161438706 544845187 /nfs/dbraw/zinc/84/51/87/544845187.db2.gz ZRSFSZSUWDWDGY-LLVKDONJSA-N 1 2 312.457 -0.175 20 70 DBIDLO